Ligand source activities (1 row/activity)
| Ligands | Receptor | Assay information | Chemical information | ||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Sel. page | Common name |
GPCRdb ID | #Vendors | Reference ligand |
Fold selectivity (Potency) |
# tested GPCRs (Potency) |
Species | p-value (-log) |
Type | Activity Relation |
Activity Value |
Assay Type | Assay Description | Source | Mol weight |
Rot Bonds |
H don | H acc | LogP | Smiles | DOI |
| 1218 | 3589 | 30 | None | 177 | 4 | Human | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | 289 | 1 | 3 | 3 | 3.0 | Oc1c(O)cc2c(c1Cl)CCNCC2c1ccccc1 | 10.1021/acsmedchemlett.9b00050 | ||
| 938 | 3589 | 30 | None | 177 | 4 | Human | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | 289 | 1 | 3 | 3 | 3.0 | Oc1c(O)cc2c(c1Cl)CCNCC2c1ccccc1 | 10.1021/acsmedchemlett.9b00050 | ||
| CHEMBL353335 | 3589 | 30 | None | 177 | 4 | Human | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | 289 | 1 | 3 | 3 | 3.0 | Oc1c(O)cc2c(c1Cl)CCNCC2c1ccccc1 | 10.1021/acsmedchemlett.9b00050 | ||
| 86764103 | 132411 | 13 | None | -2 | 2 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 389 | 5 | 1 | 6 | 3.1 | Cc1cc(Oc2ncccc2OC(F)F)ccc1-c1c(C)c(=O)[nH]c(=O)n1C | 10.1021/acsmedchemlett.9b00050 | ||
| CHEMBL3697578 | 132411 | 13 | None | -2 | 2 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 389 | 5 | 1 | 6 | 3.1 | Cc1cc(Oc2ncccc2OC(F)F)ccc1-c1c(C)c(=O)[nH]c(=O)n1C | 10.1021/acsmedchemlett.9b00050 | ||
| 11938 | 2396 | 7 | None | -69 | 4 | Mouse | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 443 | 4 | 1 | 4 | 4.4 | C[C@H]1c2cccc(c3cn(C)nc3)c2C[C@H](CO)N1C(=O)Cc1c(Cl)cccc1Cl | 10.1021/acs.jmedchem.1c01887 | ||
| 146192952 | 2396 | 7 | None | -69 | 4 | Mouse | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 443 | 4 | 1 | 4 | 4.4 | C[C@H]1c2cccc(c3cn(C)nc3)c2C[C@H](CO)N1C(=O)Cc1c(Cl)cccc1Cl | 10.1021/acs.jmedchem.1c01887 | ||
| CHEMBL4468760 | 2396 | 7 | None | -69 | 4 | Mouse | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 443 | 4 | 1 | 4 | 4.4 | C[C@H]1c2cccc(c3cn(C)nc3)c2C[C@H](CO)N1C(=O)Cc1c(Cl)cccc1Cl | 10.1021/acs.jmedchem.1c01887 | ||
| 681 | 1453 | 72 | None | 1 | 15 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 153 | 2 | 3 | 3 | 0.6 | NCCc1ccc(c(c1)O)O | 10.1021/acsmedchemlett.9b00050 | ||
| 940 | 1453 | 72 | None | 1 | 15 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 153 | 2 | 3 | 3 | 0.6 | NCCc1ccc(c(c1)O)O | 10.1021/acsmedchemlett.9b00050 | ||
| 947 | 1453 | 72 | None | 1 | 15 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 153 | 2 | 3 | 3 | 0.6 | NCCc1ccc(c(c1)O)O | 10.1021/acsmedchemlett.9b00050 | ||
| CHEMBL59 | 1453 | 72 | None | 1 | 15 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 153 | 2 | 3 | 3 | 0.6 | NCCc1ccc(c(c1)O)O | 10.1021/acsmedchemlett.9b00050 | ||
| DB00988 | 1453 | 72 | None | 1 | 15 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 153 | 2 | 3 | 3 | 0.6 | NCCc1ccc(c(c1)O)O | 10.1021/acsmedchemlett.9b00050 | ||
| 75202022 | 170786 | 2 | None | -1 | 2 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 363 | 3 | 1 | 6 | 3.3 | Cc1cc(Oc2nccc3occc23)ccc1-c1c(C)c(=O)[nH]c(=O)n1C | 10.1021/acsmedchemlett.9b00050 | ||
| CHEMBL4453318 | 170786 | 2 | None | -1 | 2 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 363 | 3 | 1 | 6 | 3.3 | Cc1cc(Oc2nccc3occc23)ccc1-c1c(C)c(=O)[nH]c(=O)n1C | 10.1021/acsmedchemlett.9b00050 | ||
| 11681599 | 75144 | 0 | None | - | 0 | Human | 10.3 | pKi | = | 10.3 | Functional | ChEMBL | 301 | 0 | 1 | 2 | 3.7 | CN1CCc2ccccc2Cc2ccc(O)c(Cl)c2CC1 | 10.1021/jm051237e | ||
| CHEMBL203637 | 75144 | 0 | None | - | 0 | Human | 10.3 | pKi | = | 10.3 | Functional | ChEMBL | 301 | 0 | 1 | 2 | 3.7 | CN1CCc2ccccc2Cc2ccc(O)c(Cl)c2CC1 | 10.1021/jm051237e | ||
| 11623343 | 140817 | 1 | None | - | 0 | Human | 9.3 | pKi | = | 9.3 | Functional | ChEMBL | 283 | 0 | 2 | 3 | 2.7 | CN1CCc2cc(O)ccc2Cc2ccc(O)cc2CC1 | 10.1021/jm051237e | ||
| CHEMBL381936 | 140817 | 1 | None | - | 0 | Human | 9.3 | pKi | = | 9.3 | Functional | ChEMBL | 283 | 0 | 2 | 3 | 2.7 | CN1CCc2cc(O)ccc2Cc2ccc(O)cc2CC1 | 10.1021/jm051237e | ||
| 11493746 | 141298 | 0 | None | - | 0 | Human | 8.9 | pKi | = | 8.9 | Functional | ChEMBL | 335 | 0 | 1 | 2 | 4.3 | CN1CCc2ccccc2Cc2cc(Cl)c(O)c(Cl)c2CC1 | 10.1021/jm051237e | ||
| CHEMBL383451 | 141298 | 0 | None | - | 0 | Human | 8.9 | pKi | = | 8.9 | Functional | ChEMBL | 335 | 0 | 1 | 2 | 4.3 | CN1CCc2ccccc2Cc2cc(Cl)c(O)c(Cl)c2CC1 | 10.1021/jm051237e | ||
| 11595240 | 140163 | 0 | None | - | 0 | Human | 8.8 | pKi | = | 8.8 | Functional | ChEMBL | 301 | 0 | 1 | 2 | 3.7 | CN1CCc2ccccc2Cc2c(ccc(O)c2Cl)CC1 | 10.1021/jm051237e | ||
| CHEMBL380464 | 140163 | 0 | None | - | 0 | Human | 8.8 | pKi | = | 8.8 | Functional | ChEMBL | 301 | 0 | 1 | 2 | 3.7 | CN1CCc2ccccc2Cc2c(ccc(O)c2Cl)CC1 | 10.1021/jm051237e | ||
| 11558055 | 73123 | 1 | None | - | 0 | Human | 8.8 | pKi | = | 8.8 | Functional | ChEMBL | 267 | 0 | 1 | 2 | 3.0 | CN1CCc2ccccc2Cc2ccc(O)cc2CC1 | 10.1021/jm051237e | ||
| CHEMBL1204122 | 73123 | 1 | None | - | 0 | Human | 8.8 | pKi | = | 8.8 | Functional | ChEMBL | 267 | 0 | 1 | 2 | 3.0 | CN1CCc2ccccc2Cc2ccc(O)cc2CC1 | 10.1021/jm051237e | ||
| CHEMBL201170 | 73123 | 1 | None | - | 0 | Human | 8.8 | pKi | = | 8.8 | Functional | ChEMBL | 267 | 0 | 1 | 2 | 3.0 | CN1CCc2ccccc2Cc2ccc(O)cc2CC1 | 10.1021/jm051237e | ||
| 11558055 | 73123 | 1 | None | - | 0 | Human | 8.8 | pKi | = | 8.8 | Functional | ChEMBL | 267 | 0 | 1 | 2 | 3.0 | CN1CCc2ccccc2Cc2ccc(O)cc2CC1 | 10.1021/jm050846j | ||
| CHEMBL1204122 | 73123 | 1 | None | - | 0 | Human | 8.8 | pKi | = | 8.8 | Functional | ChEMBL | 267 | 0 | 1 | 2 | 3.0 | CN1CCc2ccccc2Cc2ccc(O)cc2CC1 | 10.1021/jm050846j | ||
| CHEMBL201170 | 73123 | 1 | None | - | 0 | Human | 8.8 | pKi | = | 8.8 | Functional | ChEMBL | 267 | 0 | 1 | 2 | 3.0 | CN1CCc2ccccc2Cc2ccc(O)cc2CC1 | 10.1021/jm050846j | ||
| 11522339 | 75223 | 1 | None | - | 0 | Human | 8.0 | pKi | = | 8.0 | Functional | ChEMBL | 267 | 0 | 1 | 2 | 3.0 | CN1CCc2ccccc2Cc2c(O)cccc2CC1 | 10.1021/jm051237e | ||
| CHEMBL203689 | 75223 | 1 | None | - | 0 | Human | 8.0 | pKi | = | 8.0 | Functional | ChEMBL | 267 | 0 | 1 | 2 | 3.0 | CN1CCc2ccccc2Cc2c(O)cccc2CC1 | 10.1021/jm051237e | ||
| 11500677 | 140823 | 1 | None | - | 0 | Human | 6.0 | pKi | = | 6.0 | Functional | ChEMBL | 281 | 1 | 0 | 2 | 3.3 | COc1ccc2c(c1)Cc1ccccc1CCN(C)CC2 | 10.1021/jm051237e | ||
| CHEMBL381946 | 140823 | 1 | None | - | 0 | Human | 6.0 | pKi | = | 6.0 | Functional | ChEMBL | 281 | 1 | 0 | 2 | 3.3 | COc1ccc2c(c1)Cc1ccccc1CCN(C)CC2 | 10.1021/jm051237e | ||
| 11573806 | 75387 | 0 | None | - | 0 | Human | 7.9 | pKi | = | 7.9 | Functional | ChEMBL | 311 | 2 | 0 | 3 | 3.3 | COc1ccc2c(c1)CCN(C)CCc1cc(OC)ccc1C2 | 10.1021/jm051237e | ||
| CHEMBL204065 | 75387 | 0 | None | - | 0 | Human | 7.9 | pKi | = | 7.9 | Functional | ChEMBL | 311 | 2 | 0 | 3 | 3.3 | COc1ccc2c(c1)CCN(C)CCc1cc(OC)ccc1C2 | 10.1021/jm051237e | ||
| 5249952 | 73379 | 7 | None | - | 0 | Human | 7.0 | pKi | = | 7.0 | Functional | ChEMBL | 304 | 1 | 1 | 1 | 4.4 | CN1CCc2c([nH]c3ccccc23)CC(c2ccccc2)CC1 | 10.1021/jm050846j | ||
| CHEMBL201584 | 73379 | 7 | None | - | 0 | Human | 7.0 | pKi | = | 7.0 | Functional | ChEMBL | 304 | 1 | 1 | 1 | 4.4 | CN1CCc2c([nH]c3ccccc23)CC(c2ccccc2)CC1 | 10.1021/jm050846j | ||
| 4350931 | 169289 | 44 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Functional | ChEMBL | 290 | 0 | 1 | 1 | 3.8 | CN1CCc2ccccc2Cc2[nH]c3ccccc3c2CC1 | 10.1021/jm060213k | ||
| CHEMBL441618 | 169289 | 44 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Functional | ChEMBL | 290 | 0 | 1 | 1 | 3.8 | CN1CCc2ccccc2Cc2[nH]c3ccccc3c2CC1 | 10.1021/jm060213k | ||
| 4350931 | 169289 | 44 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Functional | ChEMBL | 290 | 0 | 1 | 1 | 3.8 | CN1CCc2ccccc2Cc2[nH]c3ccccc3c2CC1 | 10.1021/jm051237e | ||
| CHEMBL441618 | 169289 | 44 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Functional | ChEMBL | 290 | 0 | 1 | 1 | 3.8 | CN1CCc2ccccc2Cc2[nH]c3ccccc3c2CC1 | 10.1021/jm051237e | ||
| 42626289 | 148055 | 0 | None | - | 0 | Human | 6.9 | pKi | = | 6.9 | Functional | ChEMBL | 379 | 7 | 0 | 4 | 3.3 | COc1ccccc1N1CCN(CCCCN2Cc3ccccc3C2=O)CC1 | 10.1016/j.bmc.2007.06.002 | ||
| CHEMBL393492 | 148055 | 0 | None | - | 0 | Human | 6.9 | pKi | = | 6.9 | Functional | ChEMBL | 379 | 7 | 0 | 4 | 3.3 | COc1ccccc1N1CCN(CCCCN2Cc3ccccc3C2=O)CC1 | 10.1016/j.bmc.2007.06.002 | ||
| 11566745 | 74665 | 0 | None | - | 0 | Human | 8.6 | pKi | = | 8.6 | Functional | ChEMBL | 283 | 0 | 2 | 3 | 2.7 | CN1CCc2ccccc2Cc2cc(O)c(O)cc2CC1 | 10.1021/jm050846j | ||
| CHEMBL1202298 | 74665 | 0 | None | - | 0 | Human | 8.6 | pKi | = | 8.6 | Functional | ChEMBL | 283 | 0 | 2 | 3 | 2.7 | CN1CCc2ccccc2Cc2cc(O)c(O)cc2CC1 | 10.1021/jm050846j | ||
| CHEMBL203029 | 74665 | 0 | None | - | 0 | Human | 8.6 | pKi | = | 8.6 | Functional | ChEMBL | 283 | 0 | 2 | 3 | 2.7 | CN1CCc2ccccc2Cc2cc(O)c(O)cc2CC1 | 10.1021/jm050846j | ||
| 16090814 | 81552 | 0 | None | - | 0 | Human | 8.6 | pKi | = | 8.6 | Functional | ChEMBL | 304 | 0 | 1 | 1 | 4.2 | CN1CCCc2ccccc2Cc2[nH]c3ccccc3c2CC1 | 10.1021/jm060213k | ||
| CHEMBL216258 | 81552 | 0 | None | - | 0 | Human | 8.6 | pKi | = | 8.6 | Functional | ChEMBL | 304 | 0 | 1 | 1 | 4.2 | CN1CCCc2ccccc2Cc2[nH]c3ccccc3c2CC1 | 10.1021/jm060213k | ||
| 11716449 | 141190 | 0 | None | - | 0 | Human | 7.7 | pKi | = | 7.7 | Functional | ChEMBL | 304 | 1 | 1 | 1 | 4.2 | CCN1CCc2ccccc2Cc2[nH]c3ccccc3c2CC1 | 10.1021/jm050846j | ||
| CHEMBL382850 | 141190 | 0 | None | - | 0 | Human | 7.7 | pKi | = | 7.7 | Functional | ChEMBL | 304 | 1 | 1 | 1 | 4.2 | CCN1CCc2ccccc2Cc2[nH]c3ccccc3c2CC1 | 10.1021/jm050846j | ||
| 5249956 | 73366 | 1 | None | - | 0 | Human | 8.5 | pKi | = | 8.5 | Functional | ChEMBL | 251 | 0 | 0 | 1 | 3.3 | CN1CCc2ccccc2Cc2ccccc2CC1 | 10.1021/jm050846j | ||
| CHEMBL201525 | 73366 | 1 | None | - | 0 | Human | 8.5 | pKi | = | 8.5 | Functional | ChEMBL | 251 | 0 | 0 | 1 | 3.3 | CN1CCc2ccccc2Cc2ccccc2CC1 | 10.1021/jm050846j | ||
| 11573628 | 74670 | 0 | None | - | 0 | Human | 8.5 | pKi | = | 8.5 | Functional | ChEMBL | 301 | 0 | 1 | 2 | 3.7 | CN1CCc2ccccc2Cc2cc(O)c(Cl)cc2CC1 | 10.1021/jm051237e | ||
| CHEMBL203047 | 74670 | 0 | None | - | 0 | Human | 8.5 | pKi | = | 8.5 | Functional | ChEMBL | 301 | 0 | 1 | 2 | 3.7 | CN1CCc2ccccc2Cc2cc(O)c(Cl)cc2CC1 | 10.1021/jm051237e | ||
| 11637457 | 73058 | 1 | None | - | 0 | Human | 7.5 | pKi | = | 7.5 | Functional | ChEMBL | 257 | 0 | 0 | 2 | 3.4 | CN1CCc2ccccc2Cc2ccsc2CC1 | 10.1021/jm050846j | ||
| CHEMBL201093 | 73058 | 1 | None | - | 0 | Human | 7.5 | pKi | = | 7.5 | Functional | ChEMBL | 257 | 0 | 0 | 2 | 3.4 | CN1CCc2ccccc2Cc2ccsc2CC1 | 10.1021/jm050846j | ||
| 9992499 | 73357 | 0 | None | - | 0 | Human | 6.5 | pKi | = | 6.5 | Functional | ChEMBL | 254 | 0 | 0 | 2 | 2.6 | CN1CCc2ccccc2Cc2ccn(C)c2CC1 | 10.1021/jm050846j | ||
| CHEMBL201483 | 73357 | 0 | None | - | 0 | Human | 6.5 | pKi | = | 6.5 | Functional | ChEMBL | 254 | 0 | 0 | 2 | 2.6 | CN1CCc2ccccc2Cc2ccn(C)c2CC1 | 10.1021/jm050846j | ||
| 11716438 | 140857 | 1 | None | - | 0 | Human | 7.4 | pKi | = | 7.4 | Functional | ChEMBL | 267 | 0 | 1 | 2 | 3.0 | CN1CCc2ccccc2Cc2cc(O)ccc2CC1 | 10.1021/jm051237e | ||
| CHEMBL382010 | 140857 | 1 | None | - | 0 | Human | 7.4 | pKi | = | 7.4 | Functional | ChEMBL | 267 | 0 | 1 | 2 | 3.0 | CN1CCc2ccccc2Cc2cc(O)ccc2CC1 | 10.1021/jm051237e | ||
| 44436300 | 148812 | 0 | None | - | 0 | Human | 6.4 | pKi | = | 6.4 | Functional | ChEMBL | 399 | 6 | 0 | 5 | 2.4 | O=C1c2ccccc2S(=O)(=O)N1CCCCN1CCN(c2ccccc2)CC1 | 10.1016/j.bmc.2007.06.002 | ||
| CHEMBL394110 | 148812 | 0 | None | - | 0 | Human | 6.4 | pKi | = | 6.4 | Functional | ChEMBL | 399 | 6 | 0 | 5 | 2.4 | O=C1c2ccccc2S(=O)(=O)N1CCCCN1CCN(c2ccccc2)CC1 | 10.1016/j.bmc.2007.06.002 | ||
| 11558247 | 75393 | 0 | None | - | 0 | Human | 7.4 | pKi | = | 7.4 | Functional | ChEMBL | 282 | 0 | 2 | 3 | 2.6 | CN1CCc2ccccc2Cc2cc(N)c(O)cc2CC1 | 10.1021/jm051237e | ||
| CHEMBL204098 | 75393 | 0 | None | - | 0 | Human | 7.4 | pKi | = | 7.4 | Functional | ChEMBL | 282 | 0 | 2 | 3 | 2.6 | CN1CCc2ccccc2Cc2cc(N)c(O)cc2CC1 | 10.1021/jm051237e | ||
| 75201901 | 166401 | 19 | None | - | 4 | Human | 8.3 | pKi | = | 8.3 | Functional | ChEMBL | 356 | 3 | 0 | 6 | 4.9 | Cc1cc(Oc2nccc3occc23)ccc1-c1c(C)ncc2nccn12 | 10.1021/acs.jmedchem.8b01622 | ||
| CHEMBL4277264 | 166401 | 19 | None | - | 4 | Human | 8.3 | pKi | = | 8.3 | Functional | ChEMBL | 356 | 3 | 0 | 6 | 4.9 | Cc1cc(Oc2nccc3occc23)ccc1-c1c(C)ncc2nccn12 | 10.1021/acs.jmedchem.8b01622 | ||
| 11536995 | 139530 | 1 | None | - | 0 | Human | 7.3 | pKi | = | 7.3 | Functional | ChEMBL | 281 | 1 | 0 | 2 | 3.3 | COc1cccc2c1Cc1ccccc1CCN(C)CC2 | 10.1021/jm051237e | ||
| CHEMBL379662 | 139530 | 1 | None | - | 0 | Human | 7.3 | pKi | = | 7.3 | Functional | ChEMBL | 281 | 1 | 0 | 2 | 3.3 | COc1cccc2c1Cc1ccccc1CCN(C)CC2 | 10.1021/jm051237e | ||
| 11718008 | 75262 | 0 | None | - | 0 | Human | 7.2 | pKi | = | 7.2 | Functional | ChEMBL | 349 | 1 | 0 | 2 | 4.6 | COc1c(Cl)cc2c(c1Cl)Cc1ccccc1CCN(C)CC2 | 10.1021/jm051237e | ||
| CHEMBL203734 | 75262 | 0 | None | - | 0 | Human | 7.2 | pKi | = | 7.2 | Functional | ChEMBL | 349 | 1 | 0 | 2 | 4.6 | COc1c(Cl)cc2c(c1Cl)Cc1ccccc1CCN(C)CC2 | 10.1021/jm051237e | ||
| 44408818 | 140140 | 1 | None | - | 0 | Human | 8.1 | pKi | = | 8.1 | Functional | ChEMBL | 281 | 1 | 0 | 2 | 3.3 | COc1ccc2c(c1)CCN(C)CCc1ccccc1C2 | 10.1021/jm051237e | ||
| CHEMBL380330 | 140140 | 1 | None | - | 0 | Human | 8.1 | pKi | = | 8.1 | Functional | ChEMBL | 281 | 1 | 0 | 2 | 3.3 | COc1ccc2c(c1)CCN(C)CCc1ccccc1C2 | 10.1021/jm051237e | ||
| 16090821 | 81804 | 0 | None | - | 0 | Human | 7.1 | pKi | = | 7.1 | Functional | ChEMBL | 304 | 0 | 1 | 1 | 4.2 | CN1CCCc2c([nH]c3ccccc23)Cc2ccccc2CC1 | 10.1021/jm060213k | ||
| CHEMBL216439 | 81804 | 0 | None | - | 0 | Human | 7.1 | pKi | = | 7.1 | Functional | ChEMBL | 304 | 0 | 1 | 1 | 4.2 | CN1CCCc2c([nH]c3ccccc23)Cc2ccccc2CC1 | 10.1021/jm060213k | ||
| 122324 | 205 | 22 | None | -128 | 4 | Human | 6.6 | pEC50 | = | 6.6 | Functional | Guide to Pharmacology | 271 | 2 | 3 | 4 | 2.4 | NC[C@@H]1O[C@@H](Cc2c1ccc(c2O)O)c1ccccc1 | 16318870 | ||
| 6077 | 205 | 22 | None | -128 | 4 | Human | 6.6 | pEC50 | = | 6.6 | Functional | Guide to Pharmacology | 271 | 2 | 3 | 4 | 2.4 | NC[C@@H]1O[C@@H](Cc2c1ccc(c2O)O)c1ccccc1 | 16318870 | ||
| CHEMBL86931 | 205 | 22 | None | -128 | 4 | Human | 6.6 | pEC50 | = | 6.6 | Functional | Guide to Pharmacology | 271 | 2 | 3 | 4 | 2.4 | NC[C@@H]1O[C@@H](Cc2c1ccc(c2O)O)c1ccccc1 | 16318870 | ||
| Ligands | Receptor | Assay information | Chemical information | ||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Sel. page | Common name |
GPCRdb ID | #Vendors | Reference ligand |
Fold selectivity (Affinity) |
# tested GPCRs (Affinity) |
Species | p-value (-log) |
Type | Activity Relation |
Activity Value |
Assay Type | Assay Description | Source | Mol weight |
Rot Bonds |
H don | H acc | LogP | Smiles | DOI |
| 3158 | 56237 | 27 | None | - | 20 | Human | 5.8 | pAC50 | = | 5.8 | Binding | ChEMBL | 279 | 3 | 0 | 2 | 4.0 | CN(C)CCC=C1c2ccccc2COc2ccccc21 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1628227 | 56237 | 27 | None | - | 20 | Human | 5.8 | pAC50 | = | 5.8 | Binding | ChEMBL | 279 | 3 | 0 | 2 | 4.0 | CN(C)CCC=C1c2ccccc2COc2ccccc21 | 10.1038/s41467-023-40064-9 | ||
| 1353 | 1898 | 93 | None | -54 | 86 | Human | 6.7 | pAC50 | = | 6.7 | Binding | ChEMBL | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | 10.1038/s41467-023-40064-9 | ||
| 3559 | 1898 | 93 | None | -54 | 86 | Human | 6.7 | pAC50 | = | 6.7 | Binding | ChEMBL | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | 10.1038/s41467-023-40064-9 | ||
| 86 | 1898 | 93 | None | -54 | 86 | Human | 6.7 | pAC50 | = | 6.7 | Binding | ChEMBL | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | 10.1038/s41467-023-40064-9 | ||
| CHEMBL54 | 1898 | 93 | None | -54 | 86 | Human | 6.7 | pAC50 | = | 6.7 | Binding | ChEMBL | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | 10.1038/s41467-023-40064-9 | ||
| DB00502 | 1898 | 93 | None | -54 | 86 | Human | 6.7 | pAC50 | = | 6.7 | Binding | ChEMBL | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | 10.1038/s41467-023-40064-9 | ||
| 1613 | 2333 | 53 | None | -6 | 45 | Human | 6.6 | pAC50 | = | 6.6 | Binding | ChEMBL | 327 | 0 | 0 | 4 | 3.8 | CN1CCN(CC1)C1=Nc2ccccc2Oc2c1cc(Cl)cc2 | 10.1038/s41467-023-40064-9 | ||
| 205 | 2333 | 53 | None | -6 | 45 | Human | 6.6 | pAC50 | = | 6.6 | Binding | ChEMBL | 327 | 0 | 0 | 4 | 3.8 | CN1CCN(CC1)C1=Nc2ccccc2Oc2c1cc(Cl)cc2 | 10.1038/s41467-023-40064-9 | ||
| 3964 | 2333 | 53 | None | -6 | 45 | Human | 6.6 | pAC50 | = | 6.6 | Binding | ChEMBL | 327 | 0 | 0 | 4 | 3.8 | CN1CCN(CC1)C1=Nc2ccccc2Oc2c1cc(Cl)cc2 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL831 | 2333 | 53 | None | -6 | 45 | Human | 6.6 | pAC50 | = | 6.6 | Binding | ChEMBL | 327 | 0 | 0 | 4 | 3.8 | CN1CCN(CC1)C1=Nc2ccccc2Oc2c1cc(Cl)cc2 | 10.1038/s41467-023-40064-9 | ||
| DB00408 | 2333 | 53 | None | -6 | 45 | Human | 6.6 | pAC50 | = | 6.6 | Binding | ChEMBL | 327 | 0 | 0 | 4 | 3.8 | CN1CCN(CC1)C1=Nc2ccccc2Oc2c1cc(Cl)cc2 | 10.1038/s41467-023-40064-9 | ||
| 135398745 | 2893 | 112 | None | -26 | 66 | Human | 6.4 | pAC50 | = | 6.4 | Binding | ChEMBL | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | 10.1038/s41467-023-40064-9 | ||
| 47 | 2893 | 112 | None | -26 | 66 | Human | 6.4 | pAC50 | = | 6.4 | Binding | ChEMBL | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | 10.1038/s41467-023-40064-9 | ||
| CHEMBL715 | 2893 | 112 | None | -26 | 66 | Human | 6.4 | pAC50 | = | 6.4 | Binding | ChEMBL | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | 10.1038/s41467-023-40064-9 | ||
| DB00334 | 2893 | 112 | None | -26 | 66 | Human | 6.4 | pAC50 | = | 6.4 | Binding | ChEMBL | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | 10.1038/s41467-023-40064-9 | ||
| 191 | 402 | 98 | None | - | 29 | Human | 6.3 | pAC50 | = | 6.3 | Binding | ChEMBL | 313 | 0 | 1 | 4 | 3.4 | Clc1ccc2c(c1)C(=Nc1c(O2)cccc1)N1CCNCC1 | 10.1038/s41467-023-40064-9 | ||
| 201 | 402 | 98 | None | - | 29 | Human | 6.3 | pAC50 | = | 6.3 | Binding | ChEMBL | 313 | 0 | 1 | 4 | 3.4 | Clc1ccc2c(c1)C(=Nc1c(O2)cccc1)N1CCNCC1 | 10.1038/s41467-023-40064-9 | ||
| 2170 | 402 | 98 | None | - | 29 | Human | 6.3 | pAC50 | = | 6.3 | Binding | ChEMBL | 313 | 0 | 1 | 4 | 3.4 | Clc1ccc2c(c1)C(=Nc1c(O2)cccc1)N1CCNCC1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1113 | 402 | 98 | None | - | 29 | Human | 6.3 | pAC50 | = | 6.3 | Binding | ChEMBL | 313 | 0 | 1 | 4 | 3.4 | Clc1ccc2c(c1)C(=Nc1c(O2)cccc1)N1CCNCC1 | 10.1038/s41467-023-40064-9 | ||
| DB00543 | 402 | 98 | None | - | 29 | Human | 6.3 | pAC50 | = | 6.3 | Binding | ChEMBL | 313 | 0 | 1 | 4 | 3.4 | Clc1ccc2c(c1)C(=Nc1c(O2)cccc1)N1CCNCC1 | 10.1038/s41467-023-40064-9 | ||
| 2284 | 3160 | 33 | None | - | 29 | Human | 5.2 | pAC50 | = | 5.2 | Binding | ChEMBL | 284 | 4 | 0 | 3 | 4.2 | CN(CCCN1c2ccccc2Sc2c1cccc2)C | 10.1038/s41467-023-40064-9 | ||
| 4926 | 3160 | 33 | None | - | 29 | Human | 5.2 | pAC50 | = | 5.2 | Binding | ChEMBL | 284 | 4 | 0 | 3 | 4.2 | CN(CCCN1c2ccccc2Sc2c1cccc2)C | 10.1038/s41467-023-40064-9 | ||
| 7281 | 3160 | 33 | None | - | 29 | Human | 5.2 | pAC50 | = | 5.2 | Binding | ChEMBL | 284 | 4 | 0 | 3 | 4.2 | CN(CCCN1c2ccccc2Sc2c1cccc2)C | 10.1038/s41467-023-40064-9 | ||
| CHEMBL564 | 3160 | 33 | None | - | 29 | Human | 5.2 | pAC50 | = | 5.2 | Binding | ChEMBL | 284 | 4 | 0 | 3 | 4.2 | CN(CCCN1c2ccccc2Sc2c1cccc2)C | 10.1038/s41467-023-40064-9 | ||
| DB00420 | 3160 | 33 | None | - | 29 | Human | 5.2 | pAC50 | = | 5.2 | Binding | ChEMBL | 284 | 4 | 0 | 3 | 4.2 | CN(CCCN1c2ccccc2Sc2c1cccc2)C | 10.1038/s41467-023-40064-9 | ||
| 1427 | 2000 | 54 | None | - | 27 | Human | 5.1 | pAC50 | = | 5.1 | Binding | ChEMBL | 280 | 4 | 0 | 2 | 3.9 | CN(CCCN1c2ccccc2CCc2c1cccc2)C | 10.1038/s41467-023-40064-9 | ||
| 357 | 2000 | 54 | None | - | 27 | Human | 5.1 | pAC50 | = | 5.1 | Binding | ChEMBL | 280 | 4 | 0 | 2 | 3.9 | CN(CCCN1c2ccccc2CCc2c1cccc2)C | 10.1038/s41467-023-40064-9 | ||
| 3696 | 2000 | 54 | None | - | 27 | Human | 5.1 | pAC50 | = | 5.1 | Binding | ChEMBL | 280 | 4 | 0 | 2 | 3.9 | CN(CCCN1c2ccccc2CCc2c1cccc2)C | 10.1038/s41467-023-40064-9 | ||
| CHEMBL11 | 2000 | 54 | None | - | 27 | Human | 5.1 | pAC50 | = | 5.1 | Binding | ChEMBL | 280 | 4 | 0 | 2 | 3.9 | CN(CCCN1c2ccccc2CCc2c1cccc2)C | 10.1038/s41467-023-40064-9 | ||
| DB00458 | 2000 | 54 | None | - | 27 | Human | 5.1 | pAC50 | = | 5.1 | Binding | ChEMBL | 280 | 4 | 0 | 2 | 3.9 | CN(CCCN1c2ccccc2CCc2c1cccc2)C | 10.1038/s41467-023-40064-9 | ||
| 85090335 | 181090 | 0 | None | - | 0 | Human | 7.0 | pEC50 | = | 7.0 | Binding | ChEMBL | 359 | 3 | 0 | 5 | 3.4 | CC(C)Cc1nc2c(c(=O)c3ccccc3n2C)c(=O)n1-c1ccccc1 | 10.1016/j.bmcl.2020.127696 | ||
| CHEMBL4760355 | 181090 | 0 | None | - | 0 | Human | 7.0 | pEC50 | = | 7.0 | Binding | ChEMBL | 359 | 3 | 0 | 5 | 3.4 | CC(C)Cc1nc2c(c(=O)c3ccccc3n2C)c(=O)n1-c1ccccc1 | 10.1016/j.bmcl.2020.127696 | ||
| 168295528 | 193007 | 0 | None | -4 | 20 | Human | 5.0 | pEC50 | = | 5.0 | Binding | ChEMBL | 333 | 6 | 4 | 5 | 0.9 | N/C(=N\C(=O)NCc1ccccc1)NCCCc1nnc(N)s1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5206565 | 193007 | 0 | None | -4 | 20 | Human | 5.0 | pEC50 | = | 5.0 | Binding | ChEMBL | 333 | 6 | 4 | 5 | 0.9 | N/C(=N\C(=O)NCc1ccccc1)NCCCc1nnc(N)s1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5222872 | 193007 | 0 | None | -4 | 20 | Human | 5.0 | pEC50 | = | 5.0 | Binding | ChEMBL | 333 | 6 | 4 | 5 | 0.9 | N/C(=N\C(=O)NCc1ccccc1)NCCCc1nnc(N)s1 | 10.1021/acs.jmedchem.1c00692 | ||
| 85090318 | 179421 | 0 | None | - | 0 | Human | 6.8 | pEC50 | = | 6.8 | Binding | ChEMBL | 413 | 3 | 0 | 5 | 4.7 | Cc1ccc(-n2c(CC3CCCCC3)nc3c(c(=O)c4ccccc4n3C)c2=O)cc1 | 10.1016/j.bmcl.2020.127696 | ||
| CHEMBL4740497 | 179421 | 0 | None | - | 0 | Human | 6.8 | pEC50 | = | 6.8 | Binding | ChEMBL | 413 | 3 | 0 | 5 | 4.7 | Cc1ccc(-n2c(CC3CCCCC3)nc3c(c(=O)c4ccccc4n3C)c2=O)cc1 | 10.1016/j.bmcl.2020.127696 | ||
| 168290235 | 192944 | 0 | None | -16 | 20 | Human | 4.6 | pEC50 | = | 4.6 | Binding | ChEMBL | 315 | 6 | 4 | 3 | 1.1 | C[C@@H](NC(=O)/N=C(\N)NCCCc1ncn[nH]1)c1ccccc1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5201074 | 192944 | 0 | None | -16 | 20 | Human | 4.6 | pEC50 | = | 4.6 | Binding | ChEMBL | 315 | 6 | 4 | 3 | 1.1 | C[C@@H](NC(=O)/N=C(\N)NCCCc1ncn[nH]1)c1ccccc1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5222491 | 192944 | 0 | None | -16 | 20 | Human | 4.6 | pEC50 | = | 4.6 | Binding | ChEMBL | 315 | 6 | 4 | 3 | 1.1 | C[C@@H](NC(=O)/N=C(\N)NCCCc1ncn[nH]1)c1ccccc1 | 10.1021/acs.jmedchem.1c00692 | ||
| 85090319 | 180586 | 0 | None | - | 0 | Human | 7.6 | pEC50 | = | 7.6 | Binding | ChEMBL | 401 | 3 | 0 | 6 | 3.9 | COc1ccc(-n2c(C3CCCC3)nc3c(c(=O)c4ccccc4n3C)c2=O)cc1 | 10.1016/j.bmcl.2020.127696 | ||
| CHEMBL4754602 | 180586 | 0 | None | - | 0 | Human | 7.6 | pEC50 | = | 7.6 | Binding | ChEMBL | 401 | 3 | 0 | 6 | 3.9 | COc1ccc(-n2c(C3CCCC3)nc3c(c(=O)c4ccccc4n3C)c2=O)cc1 | 10.1016/j.bmcl.2020.127696 | ||
| 85090328 | 181011 | 0 | None | - | 0 | Human | 7.6 | pEC50 | = | 7.6 | Binding | ChEMBL | 385 | 2 | 0 | 5 | 4.2 | Cc1ccc(-n2c(C3CCCC3)nc3c(c(=O)c4ccccc4n3C)c2=O)cc1 | 10.1016/j.bmcl.2020.127696 | ||
| CHEMBL4759339 | 181011 | 0 | None | - | 0 | Human | 7.6 | pEC50 | = | 7.6 | Binding | ChEMBL | 385 | 2 | 0 | 5 | 4.2 | Cc1ccc(-n2c(C3CCCC3)nc3c(c(=O)c4ccccc4n3C)c2=O)cc1 | 10.1016/j.bmcl.2020.127696 | ||
| 85090333 | 181277 | 0 | None | - | 0 | Human | 7.6 | pEC50 | = | 7.6 | Binding | ChEMBL | 399 | 2 | 0 | 5 | 4.6 | Cc1ccc(-n2c(C3CCCCC3)nc3c(c(=O)c4ccccc4n3C)c2=O)cc1 | 10.1016/j.bmcl.2020.127696 | ||
| CHEMBL4762375 | 181277 | 0 | None | - | 0 | Human | 7.6 | pEC50 | = | 7.6 | Binding | ChEMBL | 399 | 2 | 0 | 5 | 4.6 | Cc1ccc(-n2c(C3CCCCC3)nc3c(c(=O)c4ccccc4n3C)c2=O)cc1 | 10.1016/j.bmcl.2020.127696 | ||
| 85090332 | 180695 | 0 | None | - | 0 | Human | 7.6 | pEC50 | = | 7.6 | Binding | ChEMBL | 435 | 3 | 0 | 6 | 4.6 | COc1ccc(-n2c(C3CCCC3)nc3c(c(=O)c4ccccc4n3C)c2=O)cc1Cl | 10.1016/j.bmcl.2020.127696 | ||
| CHEMBL4755709 | 180695 | 0 | None | - | 0 | Human | 7.6 | pEC50 | = | 7.6 | Binding | ChEMBL | 435 | 3 | 0 | 6 | 4.6 | COc1ccc(-n2c(C3CCCC3)nc3c(c(=O)c4ccccc4n3C)c2=O)cc1Cl | 10.1016/j.bmcl.2020.127696 | ||
| 2030130 | 20947 | 16 | None | - | 0 | Human | 7.5 | pEC50 | = | 7.5 | Binding | ChEMBL | 385 | 2 | 0 | 5 | 4.3 | Cn1c2ccccc2c(=O)c2c(=O)n(-c3ccccc3)c(C3CCCCC3)nc21 | 10.1016/j.bmcl.2020.127696 | ||
| CHEMBL1311333 | 20947 | 16 | None | - | 0 | Human | 7.5 | pEC50 | = | 7.5 | Binding | ChEMBL | 385 | 2 | 0 | 5 | 4.3 | Cn1c2ccccc2c(=O)c2c(=O)n(-c3ccccc3)c(C3CCCCC3)nc21 | 10.1016/j.bmcl.2020.127696 | ||
| 85090338 | 180737 | 0 | None | - | 0 | Human | 7.5 | pEC50 | = | 7.5 | Binding | ChEMBL | 389 | 4 | 0 | 6 | 3.4 | COc1ccc(-n2c(CC(C)C)nc3c(c(=O)c4ccccc4n3C)c2=O)cc1 | 10.1016/j.bmcl.2020.127696 | ||
| CHEMBL4756163 | 180737 | 0 | None | - | 0 | Human | 7.5 | pEC50 | = | 7.5 | Binding | ChEMBL | 389 | 4 | 0 | 6 | 3.4 | COc1ccc(-n2c(CC(C)C)nc3c(c(=O)c4ccccc4n3C)c2=O)cc1 | 10.1016/j.bmcl.2020.127696 | ||
| 168294767 | 192995 | 0 | None | -4 | 20 | Human | 4.5 | pEC50 | = | 4.5 | Binding | ChEMBL | 313 | 8 | 4 | 5 | 0.9 | CCCCCNC(=O)/N=C(\N)NCCCc1nnc(N)s1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5207281 | 192995 | 0 | None | -4 | 20 | Human | 4.5 | pEC50 | = | 4.5 | Binding | ChEMBL | 313 | 8 | 4 | 5 | 0.9 | CCCCCNC(=O)/N=C(\N)NCCCc1nnc(N)s1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5222802 | 192995 | 0 | None | -4 | 20 | Human | 4.5 | pEC50 | = | 4.5 | Binding | ChEMBL | 313 | 8 | 4 | 5 | 0.9 | CCCCCNC(=O)/N=C(\N)NCCCc1nnc(N)s1 | 10.1021/acs.jmedchem.1c00692 | ||
| 164612037 | 185353 | 0 | None | -4 | 20 | Human | 5.4 | pEC50 | = | 5.4 | Binding | ChEMBL | 326 | 8 | 4 | 4 | 1.8 | CCCCCNC(=O)/N=C(\N)NCCCc1sc(N)nc1C | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL4860528 | 185353 | 0 | None | -4 | 20 | Human | 5.4 | pEC50 | = | 5.4 | Binding | ChEMBL | 326 | 8 | 4 | 4 | 1.8 | CCCCCNC(=O)/N=C(\N)NCCCc1sc(N)nc1C | 10.1021/acs.jmedchem.1c00692 | ||
| 85090324 | 180668 | 0 | None | - | 0 | Human | 7.4 | pEC50 | = | 7.4 | Binding | ChEMBL | 405 | 2 | 0 | 5 | 4.5 | Cn1c2ccccc2c(=O)c2c(=O)n(-c3ccc(Cl)cc3)c(C3CCCC3)nc21 | 10.1016/j.bmcl.2020.127696 | ||
| CHEMBL4755481 | 180668 | 0 | None | - | 0 | Human | 7.4 | pEC50 | = | 7.4 | Binding | ChEMBL | 405 | 2 | 0 | 5 | 4.5 | Cn1c2ccccc2c(=O)c2c(=O)n(-c3ccc(Cl)cc3)c(C3CCCC3)nc21 | 10.1016/j.bmcl.2020.127696 | ||
| 85090325 | 179725 | 0 | None | - | 0 | Human | 7.4 | pEC50 | = | 7.4 | Binding | ChEMBL | 405 | 2 | 0 | 5 | 4.5 | Cn1c2ccccc2c(=O)c2c(=O)n(-c3cccc(Cl)c3)c(C3CCCC3)nc21 | 10.1016/j.bmcl.2020.127696 | ||
| CHEMBL4744261 | 179725 | 0 | None | - | 0 | Human | 7.4 | pEC50 | = | 7.4 | Binding | ChEMBL | 405 | 2 | 0 | 5 | 4.5 | Cn1c2ccccc2c(=O)c2c(=O)n(-c3cccc(Cl)c3)c(C3CCCC3)nc21 | 10.1016/j.bmcl.2020.127696 | ||
| 85090321 | 182789 | 0 | None | - | 0 | Human | 7.4 | pEC50 | = | 7.4 | Binding | ChEMBL | 373 | 3 | 0 | 5 | 3.7 | Cc1ccc(-n2c(CC(C)C)nc3c(c(=O)c4ccccc4n3C)c2=O)cc1 | 10.1016/j.bmcl.2020.127696 | ||
| CHEMBL4790909 | 182789 | 0 | None | - | 0 | Human | 7.4 | pEC50 | = | 7.4 | Binding | ChEMBL | 373 | 3 | 0 | 5 | 3.7 | Cc1ccc(-n2c(CC(C)C)nc3c(c(=O)c4ccccc4n3C)c2=O)cc1 | 10.1016/j.bmcl.2020.127696 | ||
| 85090329 | 182658 | 0 | None | - | 0 | Human | 7.4 | pEC50 | = | 7.4 | Binding | ChEMBL | 419 | 2 | 0 | 5 | 4.9 | Cn1c2ccccc2c(=O)c2c(=O)n(-c3ccc(Cl)cc3)c(C3CCCCC3)nc21 | 10.1016/j.bmcl.2020.127696 | ||
| CHEMBL4789255 | 182658 | 0 | None | - | 0 | Human | 7.4 | pEC50 | = | 7.4 | Binding | ChEMBL | 419 | 2 | 0 | 5 | 4.9 | Cn1c2ccccc2c(=O)c2c(=O)n(-c3ccc(Cl)cc3)c(C3CCCCC3)nc21 | 10.1016/j.bmcl.2020.127696 | ||
| 11938 | 2396 | 7 | None | - | 0 | Mouse | 6.3 | pEC50 | = | 6.3 | Binding | ChEMBL | 443 | 4 | 1 | 4 | 4.4 | C[C@H]1c2cccc(c3cn(C)nc3)c2C[C@H](CO)N1C(=O)Cc1c(Cl)cccc1Cl | 10.1021/acs.jmedchem.1c01887 | ||
| 146192952 | 2396 | 7 | None | - | 0 | Mouse | 6.3 | pEC50 | = | 6.3 | Binding | ChEMBL | 443 | 4 | 1 | 4 | 4.4 | C[C@H]1c2cccc(c3cn(C)nc3)c2C[C@H](CO)N1C(=O)Cc1c(Cl)cccc1Cl | 10.1021/acs.jmedchem.1c01887 | ||
| CHEMBL4468760 | 2396 | 7 | None | - | 0 | Mouse | 6.3 | pEC50 | = | 6.3 | Binding | ChEMBL | 443 | 4 | 1 | 4 | 4.4 | C[C@H]1c2cccc(c3cn(C)nc3)c2C[C@H](CO)N1C(=O)Cc1c(Cl)cccc1Cl | 10.1021/acs.jmedchem.1c01887 | ||
| 85090334 | 180601 | 0 | None | - | 0 | Human | 7.3 | pEC50 | = | 7.3 | Binding | ChEMBL | 399 | 3 | 0 | 5 | 4.4 | Cn1c2ccccc2c(=O)c2c(=O)n(-c3ccccc3)c(CC3CCCCC3)nc21 | 10.1016/j.bmcl.2020.127696 | ||
| CHEMBL4754761 | 180601 | 0 | None | - | 0 | Human | 7.3 | pEC50 | = | 7.3 | Binding | ChEMBL | 399 | 3 | 0 | 5 | 4.4 | Cn1c2ccccc2c(=O)c2c(=O)n(-c3ccccc3)c(CC3CCCCC3)nc21 | 10.1016/j.bmcl.2020.127696 | ||
| 85090323 | 181898 | 0 | None | - | 0 | Human | 7.3 | pEC50 | = | 7.3 | Binding | ChEMBL | 393 | 3 | 0 | 5 | 4.1 | CC(C)Cc1nc2c(c(=O)c3ccccc3n2C)c(=O)n1-c1ccc(Cl)cc1 | 10.1016/j.bmcl.2020.127696 | ||
| CHEMBL4779641 | 181898 | 0 | None | - | 0 | Human | 7.3 | pEC50 | = | 7.3 | Binding | ChEMBL | 393 | 3 | 0 | 5 | 4.1 | CC(C)Cc1nc2c(c(=O)c3ccccc3n2C)c(=O)n1-c1ccc(Cl)cc1 | 10.1016/j.bmcl.2020.127696 | ||
| 85090326 | 182749 | 0 | None | - | 0 | Human | 7.2 | pEC50 | = | 7.2 | Binding | ChEMBL | 423 | 4 | 0 | 6 | 4.1 | COc1ccc(-n2c(CC(C)C)nc3c(c(=O)c4ccccc4n3C)c2=O)cc1Cl | 10.1016/j.bmcl.2020.127696 | ||
| CHEMBL4790277 | 182749 | 0 | None | - | 0 | Human | 7.2 | pEC50 | = | 7.2 | Binding | ChEMBL | 423 | 4 | 0 | 6 | 4.1 | COc1ccc(-n2c(CC(C)C)nc3c(c(=O)c4ccccc4n3C)c2=O)cc1Cl | 10.1016/j.bmcl.2020.127696 | ||
| 85090331 | 181429 | 0 | None | - | 0 | Human | 7.2 | pEC50 | = | 7.2 | Binding | ChEMBL | 449 | 3 | 0 | 6 | 4.9 | COc1ccc(-n2c(C3CCCCC3)nc3c(c(=O)c4ccccc4n3C)c2=O)cc1Cl | 10.1016/j.bmcl.2020.127696 | ||
| CHEMBL4764398 | 181429 | 0 | None | - | 0 | Human | 7.2 | pEC50 | = | 7.2 | Binding | ChEMBL | 449 | 3 | 0 | 6 | 4.9 | COc1ccc(-n2c(C3CCCCC3)nc3c(c(=O)c4ccccc4n3C)c2=O)cc1Cl | 10.1016/j.bmcl.2020.127696 | ||
| 85090322 | 179435 | 0 | None | - | 0 | Human | 7.2 | pEC50 | = | 7.2 | Binding | ChEMBL | 415 | 3 | 0 | 6 | 4.3 | COc1ccc(-n2c(C3CCCCC3)nc3c(c(=O)c4ccccc4n3C)c2=O)cc1 | 10.1016/j.bmcl.2020.127696 | ||
| CHEMBL4740678 | 179435 | 0 | None | - | 0 | Human | 7.2 | pEC50 | = | 7.2 | Binding | ChEMBL | 415 | 3 | 0 | 6 | 4.3 | COc1ccc(-n2c(C3CCCCC3)nc3c(c(=O)c4ccccc4n3C)c2=O)cc1 | 10.1016/j.bmcl.2020.127696 | ||
| 85090339 | 182281 | 0 | None | - | 0 | Human | 7.2 | pEC50 | = | 7.2 | Binding | ChEMBL | 393 | 3 | 0 | 5 | 4.1 | CC(C)Cc1nc2c(c(=O)c3ccccc3n2C)c(=O)n1-c1cccc(Cl)c1 | 10.1016/j.bmcl.2020.127696 | ||
| CHEMBL4784143 | 182281 | 0 | None | - | 0 | Human | 7.2 | pEC50 | = | 7.2 | Binding | ChEMBL | 393 | 3 | 0 | 5 | 4.1 | CC(C)Cc1nc2c(c(=O)c3ccccc3n2C)c(=O)n1-c1cccc(Cl)c1 | 10.1016/j.bmcl.2020.127696 | ||
| 85090320 | 182539 | 0 | None | - | 0 | Human | 7.1 | pEC50 | = | 7.1 | Binding | ChEMBL | 433 | 3 | 0 | 5 | 5.0 | Cn1c2ccccc2c(=O)c2c(=O)n(-c3ccc(Cl)cc3)c(CC3CCCCC3)nc21 | 10.1016/j.bmcl.2020.127696 | ||
| CHEMBL4787728 | 182539 | 0 | None | - | 0 | Human | 7.1 | pEC50 | = | 7.1 | Binding | ChEMBL | 433 | 3 | 0 | 5 | 5.0 | Cn1c2ccccc2c(=O)c2c(=O)n(-c3ccc(Cl)cc3)c(CC3CCCCC3)nc21 | 10.1016/j.bmcl.2020.127696 | ||
| 4901726 | 180775 | 9 | None | - | 0 | Human | 7.1 | pEC50 | = | 7.1 | Binding | ChEMBL | 419 | 2 | 0 | 5 | 4.9 | Cn1c2ccccc2c(=O)c2c(=O)n(-c3cccc(Cl)c3)c(C3CCCCC3)nc21 | 10.1016/j.bmcl.2020.127696 | ||
| CHEMBL4756486 | 180775 | 9 | None | - | 0 | Human | 7.1 | pEC50 | = | 7.1 | Binding | ChEMBL | 419 | 2 | 0 | 5 | 4.9 | Cn1c2ccccc2c(=O)c2c(=O)n(-c3cccc(Cl)c3)c(C3CCCCC3)nc21 | 10.1016/j.bmcl.2020.127696 | ||
| 76284418 | 182294 | 0 | None | - | 0 | Human | 7.1 | pEC50 | = | 7.1 | Binding | ChEMBL | 371 | 2 | 0 | 5 | 3.9 | Cn1c2ccccc2c(=O)c2c(=O)n(-c3ccccc3)c(C3CCCC3)nc21 | 10.1016/j.bmcl.2020.127696 | ||
| CHEMBL4784295 | 182294 | 0 | None | - | 0 | Human | 7.1 | pEC50 | = | 7.1 | Binding | ChEMBL | 371 | 2 | 0 | 5 | 3.9 | Cn1c2ccccc2c(=O)c2c(=O)n(-c3ccccc3)c(C3CCCC3)nc21 | 10.1016/j.bmcl.2020.127696 | ||
| 136326241 | 179404 | 0 | None | - | 0 | Human | 7.1 | pEC50 | = | 7.1 | Binding | ChEMBL | 295 | 1 | 1 | 4 | 2.4 | Cn1c2ccccc2c(=O)c2c(=O)[nH]c(C3CCCC3)nc21 | 10.1016/j.bmcl.2020.127696 | ||
| CHEMBL4740312 | 179404 | 0 | None | - | 0 | Human | 7.1 | pEC50 | = | 7.1 | Binding | ChEMBL | 295 | 1 | 1 | 4 | 2.4 | Cn1c2ccccc2c(=O)c2c(=O)[nH]c(C3CCCC3)nc21 | 10.1016/j.bmcl.2020.127696 | ||
| 85090330 | 181049 | 0 | None | - | 0 | Human | 7.0 | pEC50 | = | 7.0 | Binding | ChEMBL | 463 | 4 | 0 | 6 | 5.0 | COc1ccc(-n2c(CC3CCCCC3)nc3c(c(=O)c4ccccc4n3C)c2=O)cc1Cl | 10.1016/j.bmcl.2020.127696 | ||
| CHEMBL4759814 | 181049 | 0 | None | - | 0 | Human | 7.0 | pEC50 | = | 7.0 | Binding | ChEMBL | 463 | 4 | 0 | 6 | 5.0 | COc1ccc(-n2c(CC3CCCCC3)nc3c(c(=O)c4ccccc4n3C)c2=O)cc1Cl | 10.1016/j.bmcl.2020.127696 | ||
| 85090337 | 183257 | 0 | None | - | 0 | Human | 7.0 | pEC50 | = | 7.0 | Binding | ChEMBL | 433 | 3 | 0 | 5 | 5.0 | Cn1c2ccccc2c(=O)c2c(=O)n(-c3cccc(Cl)c3)c(CC3CCCCC3)nc21 | 10.1016/j.bmcl.2020.127696 | ||
| CHEMBL4796761 | 183257 | 0 | None | - | 0 | Human | 7.0 | pEC50 | = | 7.0 | Binding | ChEMBL | 433 | 3 | 0 | 5 | 5.0 | Cn1c2ccccc2c(=O)c2c(=O)n(-c3cccc(Cl)c3)c(CC3CCCCC3)nc21 | 10.1016/j.bmcl.2020.127696 | ||
| 76284419 | 183224 | 0 | None | - | 0 | Human | 7.0 | pEC50 | = | 7.0 | Binding | ChEMBL | 343 | 2 | 0 | 5 | 3.1 | Cn1c2ccccc2c(=O)c2c(=O)n(-c3ccccc3)c(C3CC3)nc21 | 10.1016/j.bmcl.2020.127696 | ||
| CHEMBL4796389 | 183224 | 0 | None | - | 0 | Human | 7.0 | pEC50 | = | 7.0 | Binding | ChEMBL | 343 | 2 | 0 | 5 | 3.1 | Cn1c2ccccc2c(=O)c2c(=O)n(-c3ccccc3)c(C3CC3)nc21 | 10.1016/j.bmcl.2020.127696 | ||
| 3036864 | 202731 | 19 | None | -3 | 28 | Human | 9.8 | pIC50 | = | 9.8 | Binding | ChEMBL | 287 | 1 | 1 | 2 | 3.7 | CN1CCc2cc(Cl)c(O)cc2[C@@H](c2ccccc2)C1 | 10.1016/j.bmc.2013.03.016 | ||
| CHEMBL1256645 | 202731 | 19 | None | -3 | 28 | Human | 9.8 | pIC50 | = | 9.8 | Binding | ChEMBL | 287 | 1 | 1 | 2 | 3.7 | CN1CCc2cc(Cl)c(O)cc2[C@@H](c2ccccc2)C1 | 10.1016/j.bmc.2013.03.016 | ||
| CHEMBL1814790 | 202731 | 19 | None | -3 | 28 | Human | 9.8 | pIC50 | = | 9.8 | Binding | ChEMBL | 287 | 1 | 1 | 2 | 3.7 | CN1CCc2cc(Cl)c(O)cc2[C@@H](c2ccccc2)C1 | 10.1016/j.bmc.2013.03.016 | ||
| CHEMBL62 | 202731 | 19 | None | -3 | 28 | Human | 9.8 | pIC50 | = | 9.8 | Binding | ChEMBL | 287 | 1 | 1 | 2 | 3.7 | CN1CCc2cc(Cl)c(O)cc2[C@@H](c2ccccc2)C1 | 10.1016/j.bmc.2013.03.016 | ||
| 3036864 | 202731 | 19 | None | -3 | 28 | Human | 9.4 | pIC50 | = | 9.4 | Binding | ChEMBL | 287 | 1 | 1 | 2 | 3.7 | CN1CCc2cc(Cl)c(O)cc2[C@@H](c2ccccc2)C1 | 10.1016/j.ejmech.2013.01.044 | ||
| CHEMBL1256645 | 202731 | 19 | None | -3 | 28 | Human | 9.4 | pIC50 | = | 9.4 | Binding | ChEMBL | 287 | 1 | 1 | 2 | 3.7 | CN1CCc2cc(Cl)c(O)cc2[C@@H](c2ccccc2)C1 | 10.1016/j.ejmech.2013.01.044 | ||
| CHEMBL1814790 | 202731 | 19 | None | -3 | 28 | Human | 9.4 | pIC50 | = | 9.4 | Binding | ChEMBL | 287 | 1 | 1 | 2 | 3.7 | CN1CCc2cc(Cl)c(O)cc2[C@@H](c2ccccc2)C1 | 10.1016/j.ejmech.2013.01.044 | ||
| CHEMBL62 | 202731 | 19 | None | -3 | 28 | Human | 9.4 | pIC50 | = | 9.4 | Binding | ChEMBL | 287 | 1 | 1 | 2 | 3.7 | CN1CCc2cc(Cl)c(O)cc2[C@@H](c2ccccc2)C1 | 10.1016/j.ejmech.2013.01.044 | ||
| 5018 | 3523 | 13 | None | -2 | 10 | Human | 9.3 | pIC50 | = | 9.3 | Binding | ChEMBL | 287 | 1 | 1 | 2 | 3.7 | CN1CCc2c(C(C1)c1ccccc1)cc(c(c2)Cl)O | 10.1016/j.bmc.2016.11.014 | ||
| 943 | 3523 | 13 | None | -2 | 10 | Human | 9.3 | pIC50 | = | 9.3 | Binding | ChEMBL | 287 | 1 | 1 | 2 | 3.7 | CN1CCc2c(C(C1)c1ccccc1)cc(c(c2)Cl)O | 10.1016/j.bmc.2016.11.014 | ||
| 946 | 3523 | 13 | None | -2 | 10 | Human | 9.3 | pIC50 | = | 9.3 | Binding | ChEMBL | 287 | 1 | 1 | 2 | 3.7 | CN1CCc2c(C(C1)c1ccccc1)cc(c(c2)Cl)O | 10.1016/j.bmc.2016.11.014 | ||
| CHEMBL13668 | 3523 | 13 | None | -2 | 10 | Human | 9.3 | pIC50 | = | 9.3 | Binding | ChEMBL | 287 | 1 | 1 | 2 | 3.7 | CN1CCc2c(C(C1)c1ccccc1)cc(c(c2)Cl)O | 10.1016/j.bmc.2016.11.014 | ||
| 5018 | 3523 | 13 | None | -2 | 10 | Human | 9.3 | pIC50 | = | 9.3 | Binding | ChEMBL | 287 | 1 | 1 | 2 | 3.7 | CN1CCc2c(C(C1)c1ccccc1)cc(c(c2)Cl)O | 10.1016/j.bmc.2016.03.006 | ||
| 943 | 3523 | 13 | None | -2 | 10 | Human | 9.3 | pIC50 | = | 9.3 | Binding | ChEMBL | 287 | 1 | 1 | 2 | 3.7 | CN1CCc2c(C(C1)c1ccccc1)cc(c(c2)Cl)O | 10.1016/j.bmc.2016.03.006 | ||
| 946 | 3523 | 13 | None | -2 | 10 | Human | 9.3 | pIC50 | = | 9.3 | Binding | ChEMBL | 287 | 1 | 1 | 2 | 3.7 | CN1CCc2c(C(C1)c1ccccc1)cc(c(c2)Cl)O | 10.1016/j.bmc.2016.03.006 | ||
| CHEMBL13668 | 3523 | 13 | None | -2 | 10 | Human | 9.3 | pIC50 | = | 9.3 | Binding | ChEMBL | 287 | 1 | 1 | 2 | 3.7 | CN1CCc2c(C(C1)c1ccccc1)cc(c(c2)Cl)O | 10.1016/j.bmc.2016.03.006 | ||
| 3036864 | 202731 | 19 | None | -3 | 28 | Human | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | 287 | 1 | 1 | 2 | 3.7 | CN1CCc2cc(Cl)c(O)cc2[C@@H](c2ccccc2)C1 | 10.1021/jm8007618 | ||
| CHEMBL1256645 | 202731 | 19 | None | -3 | 28 | Human | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | 287 | 1 | 1 | 2 | 3.7 | CN1CCc2cc(Cl)c(O)cc2[C@@H](c2ccccc2)C1 | 10.1021/jm8007618 | ||
| CHEMBL1814790 | 202731 | 19 | None | -3 | 28 | Human | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | 287 | 1 | 1 | 2 | 3.7 | CN1CCc2cc(Cl)c(O)cc2[C@@H](c2ccccc2)C1 | 10.1021/jm8007618 | ||
| CHEMBL62 | 202731 | 19 | None | -3 | 28 | Human | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | 287 | 1 | 1 | 2 | 3.7 | CN1CCc2cc(Cl)c(O)cc2[C@@H](c2ccccc2)C1 | 10.1021/jm8007618 | ||
| 10907460 | 9796 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 521 | 11 | 1 | 3 | 5.8 | CCOc1ccc(CCNC(=O)N2CCN(CCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1 | 10.1021/jm010878g | ||
| CHEMBL113956 | 9796 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 521 | 11 | 1 | 3 | 5.8 | CCOc1ccc(CCNC(=O)N2CCN(CCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1 | 10.1021/jm010878g | ||
| 11071079 | 110566 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 496 | 9 | 0 | 3 | 6.0 | O=C(OCCc1ccc(F)cc1)N1CCN(CCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1 | 10.1021/jm010878g | ||
| CHEMBL325516 | 110566 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 496 | 9 | 0 | 3 | 6.0 | O=C(OCCc1ccc(F)cc1)N1CCN(CCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1 | 10.1021/jm010878g | ||
| 11730467 | 10996 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 476 | 10 | 0 | 2 | 6.0 | O=C(CCCc1ccccc1)N1CCN(CCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1 | 10.1021/jm010878g | ||
| CHEMBL117537 | 10996 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 476 | 10 | 0 | 2 | 6.0 | O=C(CCCc1ccccc1)N1CCN(CCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1 | 10.1021/jm010878g | ||
| 11113605 | 10475 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 480 | 9 | 0 | 2 | 5.8 | O=C(CCc1ccc(F)cc1)N1CCN(CCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1 | 10.1021/jm010878g | ||
| CHEMBL116735 | 10475 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 480 | 9 | 0 | 2 | 5.8 | O=C(CCc1ccc(F)cc1)N1CCN(CCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1 | 10.1021/jm010878g | ||
| 10918307 | 9953 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 514 | 5 | 1 | 7 | 2.6 | CNC(=O)CN1CN(c2ccccc2)C2(CCN(C(=O)OCc3cc4c(cc3Cl)OCO4)CC2)C1=O | 10.1021/jm010878g | ||
| CHEMBL114825 | 9953 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 514 | 5 | 1 | 7 | 2.6 | CNC(=O)CN1CN(c2ccccc2)C2(CCN(C(=O)OCc3cc4c(cc3Cl)OCO4)CC2)C1=O | 10.1021/jm010878g | ||
| 11059058 | 10059 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 429 | 3 | 1 | 7 | 4.1 | O=C(OCc1cc2c(cc1Cl)OCO2)N1CCC(n2c(O)nc3ccccc32)CC1 | 10.1021/jm010878g | ||
| CHEMBL115444 | 10059 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 429 | 3 | 1 | 7 | 4.1 | O=C(OCc1cc2c(cc1Cl)OCO2)N1CCC(n2c(O)nc3ccccc32)CC1 | 10.1021/jm010878g | ||
| 11005810 | 10434 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 517 | 10 | 1 | 4 | 6.2 | N#Cc1ccc(CCOC(=O)NC2CCN(CCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1 | 10.1021/jm010878g | ||
| CHEMBL116463 | 10434 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 517 | 10 | 1 | 4 | 6.2 | N#Cc1ccc(CCOC(=O)NC2CCN(CCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1 | 10.1021/jm010878g | ||
| 10885636 | 110989 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 503 | 9 | 0 | 4 | 5.7 | N#Cc1ccc(CCOC(=O)N2CCN(CCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1 | 10.1021/jm010878g | ||
| CHEMBL326263 | 110989 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 503 | 9 | 0 | 4 | 5.7 | N#Cc1ccc(CCOC(=O)N2CCN(CCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1 | 10.1021/jm010878g | ||
| 164612037 | 185353 | 0 | None | -4 | 20 | Human | 9.6 | pKd | = | 9.6 | Binding | ChEMBL | 326 | 8 | 4 | 4 | 1.8 | CCCCCNC(=O)/N=C(\N)NCCCc1sc(N)nc1C | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL4860528 | 185353 | 0 | None | -4 | 20 | Human | 9.6 | pKd | = | 9.6 | Binding | ChEMBL | 326 | 8 | 4 | 4 | 1.8 | CCCCCNC(=O)/N=C(\N)NCCCc1sc(N)nc1C | 10.1021/acs.jmedchem.1c00692 | ||
| 168290235 | 192944 | 0 | None | -16 | 20 | Human | 9.6 | pKd | = | 9.6 | Binding | ChEMBL | 315 | 6 | 4 | 3 | 1.1 | C[C@@H](NC(=O)/N=C(\N)NCCCc1ncn[nH]1)c1ccccc1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5201074 | 192944 | 0 | None | -16 | 20 | Human | 9.6 | pKd | = | 9.6 | Binding | ChEMBL | 315 | 6 | 4 | 3 | 1.1 | C[C@@H](NC(=O)/N=C(\N)NCCCc1ncn[nH]1)c1ccccc1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5222491 | 192944 | 0 | None | -16 | 20 | Human | 9.6 | pKd | = | 9.6 | Binding | ChEMBL | 315 | 6 | 4 | 3 | 1.1 | C[C@@H](NC(=O)/N=C(\N)NCCCc1ncn[nH]1)c1ccccc1 | 10.1021/acs.jmedchem.1c00692 | ||
| 168294767 | 192995 | 0 | None | -4 | 20 | Human | 9.6 | pKd | = | 9.6 | Binding | ChEMBL | 313 | 8 | 4 | 5 | 0.9 | CCCCCNC(=O)/N=C(\N)NCCCc1nnc(N)s1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5207281 | 192995 | 0 | None | -4 | 20 | Human | 9.6 | pKd | = | 9.6 | Binding | ChEMBL | 313 | 8 | 4 | 5 | 0.9 | CCCCCNC(=O)/N=C(\N)NCCCc1nnc(N)s1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5222802 | 192995 | 0 | None | -4 | 20 | Human | 9.6 | pKd | = | 9.6 | Binding | ChEMBL | 313 | 8 | 4 | 5 | 0.9 | CCCCCNC(=O)/N=C(\N)NCCCc1nnc(N)s1 | 10.1021/acs.jmedchem.1c00692 | ||
| 168295528 | 193007 | 0 | None | -4 | 20 | Human | 9.6 | pKd | = | 9.6 | Binding | ChEMBL | 333 | 6 | 4 | 5 | 0.9 | N/C(=N\C(=O)NCc1ccccc1)NCCCc1nnc(N)s1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5206565 | 193007 | 0 | None | -4 | 20 | Human | 9.6 | pKd | = | 9.6 | Binding | ChEMBL | 333 | 6 | 4 | 5 | 0.9 | N/C(=N\C(=O)NCc1ccccc1)NCCCc1nnc(N)s1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5222872 | 193007 | 0 | None | -4 | 20 | Human | 9.6 | pKd | = | 9.6 | Binding | ChEMBL | 333 | 6 | 4 | 5 | 0.9 | N/C(=N\C(=O)NCc1ccccc1)NCCCc1nnc(N)s1 | 10.1021/acs.jmedchem.1c00692 | ||
| 11681599 | 75144 | 0 | None | 12 | 6 | Human | 10.2 | pKi | = | 10.2 | Binding | ChEMBL | 301 | 0 | 1 | 2 | 3.7 | CN1CCc2ccccc2Cc2ccc(O)c(Cl)c2CC1 | 10.1021/jm051237e | ||
| CHEMBL203637 | 75144 | 0 | None | 12 | 6 | Human | 10.2 | pKi | = | 10.2 | Binding | ChEMBL | 301 | 0 | 1 | 2 | 3.7 | CN1CCc2ccccc2Cc2ccc(O)c(Cl)c2CC1 | 10.1021/jm051237e | ||
| 3036864 | 202731 | 19 | None | -3 | 28 | Human | 9.8 | pKi | = | 9.8 | Binding | ChEMBL | 287 | 1 | 1 | 2 | 3.7 | CN1CCc2cc(Cl)c(O)cc2[C@@H](c2ccccc2)C1 | 10.1016/j.ejmech.2013.01.044 | ||
| CHEMBL1256645 | 202731 | 19 | None | -3 | 28 | Human | 9.8 | pKi | = | 9.8 | Binding | ChEMBL | 287 | 1 | 1 | 2 | 3.7 | CN1CCc2cc(Cl)c(O)cc2[C@@H](c2ccccc2)C1 | 10.1016/j.ejmech.2013.01.044 | ||
| CHEMBL1814790 | 202731 | 19 | None | -3 | 28 | Human | 9.8 | pKi | = | 9.8 | Binding | ChEMBL | 287 | 1 | 1 | 2 | 3.7 | CN1CCc2cc(Cl)c(O)cc2[C@@H](c2ccccc2)C1 | 10.1016/j.ejmech.2013.01.044 | ||
| CHEMBL62 | 202731 | 19 | None | -3 | 28 | Human | 9.8 | pKi | = | 9.8 | Binding | ChEMBL | 287 | 1 | 1 | 2 | 3.7 | CN1CCc2cc(Cl)c(O)cc2[C@@H](c2ccccc2)C1 | 10.1016/j.ejmech.2013.01.044 | ||
| 16665071 | 93372 | 0 | None | 7 | 4 | Human | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 334 | 1 | 0 | 3 | 3.8 | COc1ccc2c(c1)c1c(n2C)Cc2ccccc2CCN(C)CC1 | 10.1016/j.bmcl.2006.11.093 | ||
| CHEMBL245764 | 93372 | 0 | None | 7 | 4 | Human | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 334 | 1 | 0 | 3 | 3.8 | COc1ccc2c(c1)c1c(n2C)Cc2ccccc2CCN(C)CC1 | 10.1016/j.bmcl.2006.11.093 | ||
| 3036864 | 202731 | 19 | None | -3 | 28 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 287 | 1 | 1 | 2 | 3.7 | CN1CCc2cc(Cl)c(O)cc2[C@@H](c2ccccc2)C1 | 10.1016/j.bmcl.2020.127305 | ||
| CHEMBL1256645 | 202731 | 19 | None | -3 | 28 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 287 | 1 | 1 | 2 | 3.7 | CN1CCc2cc(Cl)c(O)cc2[C@@H](c2ccccc2)C1 | 10.1016/j.bmcl.2020.127305 | ||
| CHEMBL1814790 | 202731 | 19 | None | -3 | 28 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 287 | 1 | 1 | 2 | 3.7 | CN1CCc2cc(Cl)c(O)cc2[C@@H](c2ccccc2)C1 | 10.1016/j.bmcl.2020.127305 | ||
| CHEMBL62 | 202731 | 19 | None | -3 | 28 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 287 | 1 | 1 | 2 | 3.7 | CN1CCc2cc(Cl)c(O)cc2[C@@H](c2ccccc2)C1 | 10.1016/j.bmcl.2020.127305 | ||
| 11465618 | 102371 | 23 | None | -1 | 19 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 354 | 2 | 0 | 2 | 4.9 | CN1CCN([C@@H]2C[C@@H](c3ccccc3)c3ccc(Cl)cc32)CC1(C)C | 10.1016/j.bmcl.2022.128879 | ||
| CHEMBL3039528 | 102371 | 23 | None | -1 | 19 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 354 | 2 | 0 | 2 | 4.9 | CN1CCN([C@@H]2C[C@@H](c3ccccc3)c3ccc(Cl)cc32)CC1(C)C | 10.1016/j.bmcl.2022.128879 | ||
| CHEMBL5191141 | 102371 | 23 | None | -1 | 19 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 354 | 2 | 0 | 2 | 4.9 | CN1CCN([C@@H]2C[C@@H](c3ccccc3)c3ccc(Cl)cc32)CC1(C)C | 10.1016/j.bmcl.2022.128879 | ||
| 44439943 | 93337 | 0 | None | 1 | 4 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 306 | 0 | 2 | 2 | 3.5 | CN1CCc2ccccc2Cc2[nH]c3ccc(O)cc3c2CC1 | 10.1016/j.bmcl.2006.11.093 | ||
| CHEMBL245570 | 93337 | 0 | None | 1 | 4 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 306 | 0 | 2 | 2 | 3.5 | CN1CCc2ccccc2Cc2[nH]c3ccc(O)cc3c2CC1 | 10.1016/j.bmcl.2006.11.093 | ||
| 3036864 | 202731 | 19 | None | -3 | 28 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 287 | 1 | 1 | 2 | 3.7 | CN1CCc2cc(Cl)c(O)cc2[C@@H](c2ccccc2)C1 | 10.1021/jm8007618 | ||
| CHEMBL1256645 | 202731 | 19 | None | -3 | 28 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 287 | 1 | 1 | 2 | 3.7 | CN1CCc2cc(Cl)c(O)cc2[C@@H](c2ccccc2)C1 | 10.1021/jm8007618 | ||
| CHEMBL1814790 | 202731 | 19 | None | -3 | 28 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 287 | 1 | 1 | 2 | 3.7 | CN1CCc2cc(Cl)c(O)cc2[C@@H](c2ccccc2)C1 | 10.1021/jm8007618 | ||
| CHEMBL62 | 202731 | 19 | None | -3 | 28 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 287 | 1 | 1 | 2 | 3.7 | CN1CCc2cc(Cl)c(O)cc2[C@@H](c2ccccc2)C1 | 10.1021/jm8007618 | ||
| 6852376 | 91570 | 13 | None | 3 | 5 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 255 | 1 | 3 | 3 | 2.4 | Oc1cc2c(cc1O)[C@@H](c1ccccc1)CNCC2 | 10.1016/j.bmcl.2020.127305 | ||
| CHEMBL1467585 | 91570 | 13 | None | 3 | 5 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 255 | 1 | 3 | 3 | 2.4 | Oc1cc2c(cc1O)[C@@H](c1ccccc1)CNCC2 | 10.1016/j.bmcl.2020.127305 | ||
| CHEMBL24077 | 91570 | 13 | None | 3 | 5 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 255 | 1 | 3 | 3 | 2.4 | Oc1cc2c(cc1O)[C@@H](c1ccccc1)CNCC2 | 10.1016/j.bmcl.2020.127305 | ||
| CHEMBL503958 | 91570 | 13 | None | 3 | 5 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 255 | 1 | 3 | 3 | 2.4 | Oc1cc2c(cc1O)[C@@H](c1ccccc1)CNCC2 | 10.1016/j.bmcl.2020.127305 | ||
| 11778580 | 66097 | 1 | None | 5 | 5 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 283 | 0 | 1 | 3 | 2.9 | CN1CCOc2cc(O)ccc2Cc2ccccc2CC1 | 10.1021/jm049720x | ||
| CHEMBL184050 | 66097 | 1 | None | 5 | 5 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 283 | 0 | 1 | 3 | 2.9 | CN1CCOc2cc(O)ccc2Cc2ccccc2CC1 | 10.1021/jm049720x | ||
| 16090814 | 81552 | 0 | None | 1 | 5 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 304 | 0 | 1 | 1 | 4.2 | CN1CCCc2ccccc2Cc2[nH]c3ccccc3c2CC1 | 10.1021/jm060213k | ||
| CHEMBL216258 | 81552 | 0 | None | 1 | 5 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 304 | 0 | 1 | 1 | 4.2 | CN1CCCc2ccccc2Cc2[nH]c3ccccc3c2CC1 | 10.1021/jm060213k | ||
| 11393666 | 192962 | 0 | None | -1 | 19 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 340 | 2 | 1 | 2 | 4.6 | CC1(C)CN([C@@H]2C[C@@H](c3ccccc3)c3ccc(Cl)cc32)CCN1 | 10.1016/j.bmcl.2022.128879 | ||
| CHEMBL5201983 | 192962 | 0 | None | -1 | 19 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 340 | 2 | 1 | 2 | 4.6 | CC1(C)CN([C@@H]2C[C@@H](c3ccccc3)c3ccc(Cl)cc32)CCN1 | 10.1016/j.bmcl.2022.128879 | ||
| CHEMBL5222597 | 192962 | 0 | None | -1 | 19 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 340 | 2 | 1 | 2 | 4.6 | CC1(C)CN([C@@H]2C[C@@H](c3ccccc3)c3ccc(Cl)cc32)CCN1 | 10.1016/j.bmcl.2022.128879 | ||
| 11595240 | 140163 | 0 | None | -3 | 4 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 301 | 0 | 1 | 2 | 3.7 | CN1CCc2ccccc2Cc2c(ccc(O)c2Cl)CC1 | 10.1021/jm051237e | ||
| CHEMBL380464 | 140163 | 0 | None | -3 | 4 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 301 | 0 | 1 | 2 | 3.7 | CN1CCc2ccccc2Cc2c(ccc(O)c2Cl)CC1 | 10.1021/jm051237e | ||
| 11488247 | 200616 | 0 | None | -1 | 4 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 470 | 5 | 1 | 4 | 4.5 | CN1CCc2cc(Cl)c(O)cc2[C@@H](c2ccc(CN(C)S(=O)(=O)c3ccccc3)cc2)C1 | 10.1016/j.bmcl.2009.12.100 | ||
| CHEMBL599487 | 200616 | 0 | None | -1 | 4 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 470 | 5 | 1 | 4 | 4.5 | CN1CCc2cc(Cl)c(O)cc2[C@@H](c2ccc(CN(C)S(=O)(=O)c3ccccc3)cc2)C1 | 10.1016/j.bmcl.2009.12.100 | ||
| 46231784 | 201315 | 0 | None | -2 | 4 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 329 | 0 | 2 | 3 | 3.7 | CN1CCc2cc(Cl)c(O)cc2[C@H]2c3cccc(O)c3CC[C@@H]21 | 10.1016/j.bmcl.2009.12.094 | ||
| CHEMBL604314 | 201315 | 0 | None | -2 | 4 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 329 | 0 | 2 | 3 | 3.7 | CN1CCc2cc(Cl)c(O)cc2[C@H]2c3cccc(O)c3CC[C@@H]21 | 10.1016/j.bmcl.2009.12.094 | ||
| 11558055 | 73123 | 1 | None | -2 | 6 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 267 | 0 | 1 | 2 | 3.0 | CN1CCc2ccccc2Cc2ccc(O)cc2CC1 | 10.1021/jm051237e | ||
| CHEMBL1204122 | 73123 | 1 | None | -2 | 6 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 267 | 0 | 1 | 2 | 3.0 | CN1CCc2ccccc2Cc2ccc(O)cc2CC1 | 10.1021/jm051237e | ||
| CHEMBL201170 | 73123 | 1 | None | -2 | 6 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 267 | 0 | 1 | 2 | 3.0 | CN1CCc2ccccc2Cc2ccc(O)cc2CC1 | 10.1021/jm051237e | ||
| 11558055 | 73123 | 1 | None | -2 | 6 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 267 | 0 | 1 | 2 | 3.0 | CN1CCc2ccccc2Cc2ccc(O)cc2CC1 | 10.1039/C5MD00258C | ||
| CHEMBL1204122 | 73123 | 1 | None | -2 | 6 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 267 | 0 | 1 | 2 | 3.0 | CN1CCc2ccccc2Cc2ccc(O)cc2CC1 | 10.1039/C5MD00258C | ||
| CHEMBL201170 | 73123 | 1 | None | -2 | 6 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 267 | 0 | 1 | 2 | 3.0 | CN1CCc2ccccc2Cc2ccc(O)cc2CC1 | 10.1039/C5MD00258C | ||
| 11558055 | 73123 | 1 | None | -2 | 6 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 267 | 0 | 1 | 2 | 3.0 | CN1CCc2ccccc2Cc2ccc(O)cc2CC1 | 10.1016/j.bmcl.2006.11.093 | ||
| CHEMBL1204122 | 73123 | 1 | None | -2 | 6 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 267 | 0 | 1 | 2 | 3.0 | CN1CCc2ccccc2Cc2ccc(O)cc2CC1 | 10.1016/j.bmcl.2006.11.093 | ||
| CHEMBL201170 | 73123 | 1 | None | -2 | 6 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 267 | 0 | 1 | 2 | 3.0 | CN1CCc2ccccc2Cc2ccc(O)cc2CC1 | 10.1016/j.bmcl.2006.11.093 | ||
| 11558055 | 73123 | 1 | None | -2 | 6 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 267 | 0 | 1 | 2 | 3.0 | CN1CCc2ccccc2Cc2ccc(O)cc2CC1 | 10.1021/jm070388+ | ||
| CHEMBL1204122 | 73123 | 1 | None | -2 | 6 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 267 | 0 | 1 | 2 | 3.0 | CN1CCc2ccccc2Cc2ccc(O)cc2CC1 | 10.1021/jm070388+ | ||
| CHEMBL201170 | 73123 | 1 | None | -2 | 6 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 267 | 0 | 1 | 2 | 3.0 | CN1CCc2ccccc2Cc2ccc(O)cc2CC1 | 10.1021/jm070388+ | ||
| 11558055 | 73123 | 1 | None | -2 | 6 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 267 | 0 | 1 | 2 | 3.0 | CN1CCc2ccccc2Cc2ccc(O)cc2CC1 | 10.1016/j.bmc.2009.08.028 | ||
| CHEMBL1204122 | 73123 | 1 | None | -2 | 6 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 267 | 0 | 1 | 2 | 3.0 | CN1CCc2ccccc2Cc2ccc(O)cc2CC1 | 10.1016/j.bmc.2009.08.028 | ||
| CHEMBL201170 | 73123 | 1 | None | -2 | 6 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 267 | 0 | 1 | 2 | 3.0 | CN1CCc2ccccc2Cc2ccc(O)cc2CC1 | 10.1016/j.bmc.2009.08.028 | ||
| 11558055 | 73123 | 1 | None | -2 | 6 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 267 | 0 | 1 | 2 | 3.0 | CN1CCc2ccccc2Cc2ccc(O)cc2CC1 | 10.1021/jm050846j | ||
| CHEMBL1204122 | 73123 | 1 | None | -2 | 6 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 267 | 0 | 1 | 2 | 3.0 | CN1CCc2ccccc2Cc2ccc(O)cc2CC1 | 10.1021/jm050846j | ||
| CHEMBL201170 | 73123 | 1 | None | -2 | 6 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 267 | 0 | 1 | 2 | 3.0 | CN1CCc2ccccc2Cc2ccc(O)cc2CC1 | 10.1021/jm050846j | ||
| 11623343 | 140817 | 1 | None | 2 | 4 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 283 | 0 | 2 | 3 | 2.7 | CN1CCc2cc(O)ccc2Cc2ccc(O)cc2CC1 | 10.1021/jm051237e | ||
| CHEMBL381936 | 140817 | 1 | None | 2 | 4 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 283 | 0 | 2 | 3 | 2.7 | CN1CCc2cc(O)ccc2Cc2ccc(O)cc2CC1 | 10.1021/jm051237e | ||
| 1243 | 3591 | 34 | None | -3 | 5 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 331 | 1 | 1 | 2 | 3.8 | CN1CCc2c(C(C1)c1ccccc1)cc(c(c2)Br)O | 10.1016/j.bmcl.2021.128047 | ||
| 944 | 3591 | 34 | None | -3 | 5 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 331 | 1 | 1 | 2 | 3.8 | CN1CCc2c(C(C1)c1ccccc1)cc(c(c2)Br)O | 10.1016/j.bmcl.2021.128047 | ||
| CHEMBL324017 | 3591 | 34 | None | -3 | 5 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 331 | 1 | 1 | 2 | 3.8 | CN1CCc2c(C(C1)c1ccccc1)cc(c(c2)Br)O | 10.1016/j.bmcl.2021.128047 | ||
| 10402378 | 66095 | 0 | None | 19 | 5 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 297 | 1 | 0 | 3 | 3.2 | COc1ccc2c(c1)OCCN(C)CCc1ccccc1C2 | 10.1021/jm049720x | ||
| CHEMBL184049 | 66095 | 0 | None | 19 | 5 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 297 | 1 | 0 | 3 | 3.2 | COc1ccc2c(c1)OCCN(C)CCc1ccccc1C2 | 10.1021/jm049720x | ||
| 122205438 | 137375 | 0 | None | -1 | 5 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 307 | 0 | 0 | 2 | 4.5 | CN1CCc2ccccc2Cc2sc3ccccc3c2CC1 | 10.1039/C5MD00258C | ||
| CHEMBL3753266 | 137375 | 0 | None | -1 | 5 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 307 | 0 | 0 | 2 | 4.5 | CN1CCc2ccccc2Cc2sc3ccccc3c2CC1 | 10.1039/C5MD00258C | ||
| 46216855 | 200355 | 0 | None | -2 | 4 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 395 | 1 | 1 | 3 | 5.7 | CN1CCc2cc(Cl)c(O)cc2[C@H]2c3cccc(-c4cccs4)c3CC[C@@H]21 | 10.1016/j.bmcl.2009.12.094 | ||
| CHEMBL597900 | 200355 | 0 | None | -2 | 4 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 395 | 1 | 1 | 3 | 5.7 | CN1CCc2cc(Cl)c(O)cc2[C@H]2c3cccc(-c4cccs4)c3CC[C@@H]21 | 10.1016/j.bmcl.2009.12.094 | ||
| 46231925 | 201355 | 0 | None | -5 | 4 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 384 | 3 | 1 | 4 | 4.4 | CCO/N=C/c1cccc2c1CC[C@H]1[C@H]2c2cc(O)c(Cl)cc2CCN1C | 10.1016/j.bmcl.2009.12.094 | ||
| CHEMBL604525 | 201355 | 0 | None | -5 | 4 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 384 | 3 | 1 | 4 | 4.4 | CCO/N=C/c1cccc2c1CC[C@H]1[C@H]2c2cc(O)c(Cl)cc2CCN1C | 10.1016/j.bmcl.2009.12.094 | ||
| 45379370 | 7491 | 0 | None | 2 | 5 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 290 | 0 | 1 | 1 | 3.8 | CN1CCc2ccccc2Cc2c([nH]c3ccccc23)CC1 | 10.1021/jm901291r | ||
| CHEMBL1087301 | 7491 | 0 | None | 2 | 5 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 290 | 0 | 1 | 1 | 3.8 | CN1CCc2ccccc2Cc2c([nH]c3ccccc23)CC1 | 10.1021/jm901291r | ||
| 11269330 | 201470 | 0 | None | -34 | 4 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 390 | 1 | 1 | 3 | 5.0 | CN1CCc2cc(Cl)c(O)cc2[C@H]2c3cccc(-c4ccncc4)c3CC[C@@H]21 | 10.1016/j.bmcl.2009.12.094 | ||
| CHEMBL605127 | 201470 | 0 | None | -34 | 4 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 390 | 1 | 1 | 3 | 5.0 | CN1CCc2cc(Cl)c(O)cc2[C@H]2c3cccc(-c4ccncc4)c3CC[C@@H]21 | 10.1016/j.bmcl.2009.12.094 | ||
| 135398745 | 2893 | 112 | None | -26 | 66 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | 10.1039/C2MD00311B | ||
| 47 | 2893 | 112 | None | -26 | 66 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | 10.1039/C2MD00311B | ||
| CHEMBL715 | 2893 | 112 | None | -26 | 66 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | 10.1039/C2MD00311B | ||
| DB00334 | 2893 | 112 | None | -26 | 66 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | 10.1039/C2MD00311B | ||
| 10947658 | 28671 | 0 | None | -912 | 16 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 335 | 1 | 1 | 2 | 3.0 | C[C@H]1C[C@@H](C)N1C(=O)[C@@H]1C=C2c3cccc4[nH]cc(c34)CC2N(C)C1 | 10.1021/jm020153s | ||
| CHEMBL137781 | 28671 | 0 | None | -912 | 16 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 335 | 1 | 1 | 2 | 3.0 | C[C@H]1C[C@@H](C)N1C(=O)[C@@H]1C=C2c3cccc4[nH]cc(c34)CC2N(C)C1 | 10.1021/jm020153s | ||
| 135398737 | 955 | 93 | None | -89 | 92 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 10.1039/C2MD00311B | ||
| 38 | 955 | 93 | None | -89 | 92 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 10.1039/C2MD00311B | ||
| 722 | 955 | 93 | None | -89 | 92 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 10.1039/C2MD00311B | ||
| CHEMBL42 | 955 | 93 | None | -89 | 92 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 10.1039/C2MD00311B | ||
| DB00363 | 955 | 93 | None | -89 | 92 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 10.1039/C2MD00311B | ||
| 2389 | 3306 | 118 | None | -239 | 68 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | 10.1039/C2MD00311B | ||
| 5073 | 3306 | 118 | None | -239 | 68 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | 10.1039/C2MD00311B | ||
| 96 | 3306 | 118 | None | -239 | 68 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | 10.1039/C2MD00311B | ||
| CHEMBL85 | 3306 | 118 | None | -239 | 68 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | 10.1039/C2MD00311B | ||
| DB00734 | 3306 | 118 | None | -239 | 68 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | 10.1039/C2MD00311B | ||
| 155552185 | 174037 | 0 | None | -1819 | 16 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 491 | 10 | 2 | 5 | 4.3 | COc1ccccc1N1CCN(CCCNC(=O)NN(Cc2ccc(F)cc2)c2ccccc2)CC1 | 10.1021/acs.jmedchem.9b01085 | ||
| CHEMBL4544086 | 174037 | 0 | None | -1819 | 16 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 491 | 10 | 2 | 5 | 4.3 | COc1ccccc1N1CCN(CCCNC(=O)NN(Cc2ccc(F)cc2)c2ccccc2)CC1 | 10.1021/acs.jmedchem.9b01085 | ||
| 154724609 | 176575 | 1 | None | -11 | 5 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 440 | 10 | 0 | 6 | 4.8 | COc1ccc(F)cc1C1CC1CN(C)CCCSc1nnc(-c2ccccc2)n1C | 10.1021/acs.jmedchem.9b01835 | ||
| CHEMBL4514800 | 176575 | 1 | None | -11 | 5 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 440 | 10 | 0 | 6 | 4.8 | COc1ccc(F)cc1C1CC1CN(C)CCCSc1nnc(-c2ccccc2)n1C | 10.1021/acs.jmedchem.9b01835 | ||
| CHEMBL4597637 | 176575 | 1 | None | -11 | 5 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 440 | 10 | 0 | 6 | 4.8 | COc1ccc(F)cc1C1CC1CN(C)CCCSc1nnc(-c2ccccc2)n1C | 10.1021/acs.jmedchem.9b01835 | ||
| 145969667 | 164941 | 0 | None | -41 | 6 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 289 | 9 | 1 | 2 | 4.9 | CCCCCCCCCN1CCC(c2cccc(O)c2)C1 | 10.1016/j.bmcl.2018.03.084 | ||
| CHEMBL4225278 | 164941 | 0 | None | -41 | 6 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 289 | 9 | 1 | 2 | 4.9 | CCCCCCCCCN1CCC(c2cccc(O)c2)C1 | 10.1016/j.bmcl.2018.03.084 | ||
| 681 | 1453 | 72 | None | -67 | 39 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 153 | 2 | 3 | 3 | 0.6 | NCCc1ccc(c(c1)O)O | 10.1021/jm401384w | ||
| 940 | 1453 | 72 | None | -67 | 39 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 153 | 2 | 3 | 3 | 0.6 | NCCc1ccc(c(c1)O)O | 10.1021/jm401384w | ||
| 947 | 1453 | 72 | None | -67 | 39 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 153 | 2 | 3 | 3 | 0.6 | NCCc1ccc(c(c1)O)O | 10.1021/jm401384w | ||
| CHEMBL59 | 1453 | 72 | None | -67 | 39 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 153 | 2 | 3 | 3 | 0.6 | NCCc1ccc(c(c1)O)O | 10.1021/jm401384w | ||
| DB00988 | 1453 | 72 | None | -67 | 39 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 153 | 2 | 3 | 3 | 0.6 | NCCc1ccc(c(c1)O)O | 10.1021/jm401384w | ||
| 21527771 | 70127 | 1 | None | -40 | 10 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 363 | 6 | 1 | 3 | 4.2 | OC1(c2ccc(Cl)cc2)CCN(CCCOc2ccc(F)cc2)CC1 | 10.1016/j.bmcl.2014.07.018 | ||
| CHEMBL1940404 | 70127 | 1 | None | -40 | 10 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 363 | 6 | 1 | 3 | 4.2 | OC1(c2ccc(Cl)cc2)CCN(CCCOc2ccc(F)cc2)CC1 | 10.1016/j.bmcl.2014.07.018 | ||
| 44415593 | 80218 | 0 | None | -104 | 6 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 495 | 2 | 1 | 5 | 5.6 | CN1CCN(C2=Nc3cc(Cl)ccc3N(NC(=O)c3cccc4ccccc34)c3ccccc32)CC1 | 10.1016/j.bmcl.2006.06.022 | ||
| CHEMBL213834 | 80218 | 0 | None | -104 | 6 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 495 | 2 | 1 | 5 | 5.6 | CN1CCN(C2=Nc3cc(Cl)ccc3N(NC(=O)c3cccc4ccccc34)c3ccccc32)CC1 | 10.1016/j.bmcl.2006.06.022 | ||
| 242 | 469 | 124 | None | -380 | 52 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | nan | ||
| 34 | 469 | 124 | None | -380 | 52 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | nan | ||
| 60795 | 469 | 124 | None | -380 | 52 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | nan | ||
| CHEMBL1112 | 469 | 124 | None | -380 | 52 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | nan | ||
| DB01238 | 469 | 124 | None | -380 | 52 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | nan | ||
| 154704368 | 176447 | 1 | None | -229 | 6 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 421 | 11 | 2 | 2 | 5.3 | CCCN(CCCCNC(=O)c1cc2ccccc2[nH]1)CC1CC1c1ccc(F)cc1 | 10.1021/acs.jmedchem.9b01835 | ||
| CHEMBL4569006 | 176447 | 1 | None | -229 | 6 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 421 | 11 | 2 | 2 | 5.3 | CCCN(CCCCNC(=O)c1cc2ccccc2[nH]1)CC1CC1c1ccc(F)cc1 | 10.1021/acs.jmedchem.9b01835 | ||
| CHEMBL4596571 | 176447 | 1 | None | -229 | 6 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 421 | 11 | 2 | 2 | 5.3 | CCCN(CCCCNC(=O)c1cc2ccccc2[nH]1)CC1CC1c1ccc(F)cc1 | 10.1021/acs.jmedchem.9b01835 | ||
| 126720252 | 164651 | 0 | None | -38 | 12 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 697 | 15 | 2 | 6 | 9.2 | NCCCCCCn1cc(CCCCN2CCC(c3ccc(-c4cc(C(=O)O)cc5cc(-c6ccc(C(F)(F)F)cc6)ccc45)cc3)CC2)nn1 | 10.1021/acs.jmedchem.8b00168 | ||
| CHEMBL4216870 | 164651 | 0 | None | -38 | 12 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 697 | 15 | 2 | 6 | 9.2 | NCCCCCCn1cc(CCCCN2CCC(c3ccc(-c4cc(C(=O)O)cc5cc(-c6ccc(C(F)(F)F)cc6)ccc45)cc3)CC2)nn1 | 10.1021/acs.jmedchem.8b00168 | ||
| 11566745 | 74665 | 0 | None | 1 | 4 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 283 | 0 | 2 | 3 | 2.7 | CN1CCc2ccccc2Cc2cc(O)c(O)cc2CC1 | 10.1021/jm050846j | ||
| CHEMBL1202298 | 74665 | 0 | None | 1 | 4 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 283 | 0 | 2 | 3 | 2.7 | CN1CCc2ccccc2Cc2cc(O)c(O)cc2CC1 | 10.1021/jm050846j | ||
| CHEMBL203029 | 74665 | 0 | None | 1 | 4 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 283 | 0 | 2 | 3 | 2.7 | CN1CCc2ccccc2Cc2cc(O)c(O)cc2CC1 | 10.1021/jm050846j | ||
| 154704418 | 176563 | 1 | None | -2 | 5 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 458 | 12 | 1 | 6 | 4.8 | Cn1c(SCCCNCC2CC2c2cc(F)ccc2OCCF)nnc1-c1ccccc1 | 10.1021/acs.jmedchem.9b01835 | ||
| CHEMBL4546749 | 176563 | 1 | None | -2 | 5 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 458 | 12 | 1 | 6 | 4.8 | Cn1c(SCCCNCC2CC2c2cc(F)ccc2OCCF)nnc1-c1ccccc1 | 10.1021/acs.jmedchem.9b01835 | ||
| CHEMBL4597533 | 176563 | 1 | None | -2 | 5 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 458 | 12 | 1 | 6 | 4.8 | Cn1c(SCCCNCC2CC2c2cc(F)ccc2OCCF)nnc1-c1ccccc1 | 10.1021/acs.jmedchem.9b01835 | ||
| 11408135 | 124162 | 0 | None | -245 | 3 | Rat | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 443 | 7 | 1 | 4 | 4.5 | COc1ccc2c(c1)N1CCN(CCCCNC(=O)c3ccc4ccccc4c3)C[C@H]1CC2 | 10.1021/jm049031l | ||
| CHEMBL363406 | 124162 | 0 | None | -245 | 3 | Rat | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 443 | 7 | 1 | 4 | 4.5 | COc1ccc2c(c1)N1CCN(CCCCNC(=O)c3ccc4ccccc4c3)C[C@H]1CC2 | 10.1021/jm049031l | ||
| 5249956 | 73366 | 1 | None | -2 | 6 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 251 | 0 | 0 | 1 | 3.3 | CN1CCc2ccccc2Cc2ccccc2CC1 | 10.1039/C5MD00258C | ||
| CHEMBL201525 | 73366 | 1 | None | -2 | 6 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 251 | 0 | 0 | 1 | 3.3 | CN1CCc2ccccc2Cc2ccccc2CC1 | 10.1039/C5MD00258C | ||
| 5249956 | 73366 | 1 | None | -2 | 6 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 251 | 0 | 0 | 1 | 3.3 | CN1CCc2ccccc2Cc2ccccc2CC1 | 10.1016/j.bmcl.2006.11.093 | ||
| CHEMBL201525 | 73366 | 1 | None | -2 | 6 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 251 | 0 | 0 | 1 | 3.3 | CN1CCc2ccccc2Cc2ccccc2CC1 | 10.1016/j.bmcl.2006.11.093 | ||
| 5249956 | 73366 | 1 | None | -2 | 6 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 251 | 0 | 0 | 1 | 3.3 | CN1CCc2ccccc2Cc2ccccc2CC1 | 10.1021/jm050846j | ||
| CHEMBL201525 | 73366 | 1 | None | -2 | 6 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 251 | 0 | 0 | 1 | 3.3 | CN1CCc2ccccc2Cc2ccccc2CC1 | 10.1021/jm050846j | ||
| 56594534 | 70571 | 0 | None | -1 | 5 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 320 | 1 | 2 | 2 | 3.2 | CN1CCc2ccccc2Cc2[nH]c3ccccc3c2C[C@@H]1CO | 10.1021/jm200676f | ||
| CHEMBL1949728 | 70571 | 0 | None | -1 | 5 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 320 | 1 | 2 | 2 | 3.2 | CN1CCc2ccccc2Cc2[nH]c3ccccc3c2C[C@@H]1CO | 10.1021/jm200676f | ||
| 56597938 | 3909 | 3 | None | -1380 | 9 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 461 | 7 | 1 | 4 | 5.2 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCCN(CC1)c1cccc(c1Cl)Cl | 10.1021/acs.jmedchem.7b00363 | ||
| 7651 | 3909 | 3 | None | -1380 | 9 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 461 | 7 | 1 | 4 | 5.2 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCCN(CC1)c1cccc(c1Cl)Cl | 10.1021/acs.jmedchem.7b00363 | ||
| CHEMBL2165126 | 3909 | 3 | None | -1380 | 9 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 461 | 7 | 1 | 4 | 5.2 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCCN(CC1)c1cccc(c1Cl)Cl | 10.1021/acs.jmedchem.7b00363 | ||
| 164618319 | 184569 | 0 | None | 1 | 3 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 340 | 2 | 1 | 4 | 2.1 | CC(=O)NCC#Cc1ccc2c(c1)C=C([N+](=O)[O-])C(C(F)(F)F)O2 | 10.1016/j.bmcl.2021.128008 | ||
| CHEMBL4848838 | 184569 | 0 | None | 1 | 3 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 340 | 2 | 1 | 4 | 2.1 | CC(=O)NCC#Cc1ccc2c(c1)C=C([N+](=O)[O-])C(C(F)(F)F)O2 | 10.1016/j.bmcl.2021.128008 | ||
| 122181333 | 121848 | 0 | None | -7762 | 6 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 366 | 8 | 1 | 2 | 3.8 | CCCN(CCNC(=O)/C=C/c1ccc(F)cc1)C1Cc2ccccc2C1 | 10.1016/j.bmc.2014.12.012 | ||
| CHEMBL3590084 | 121848 | 0 | None | -7762 | 6 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 366 | 8 | 1 | 2 | 3.8 | CCCN(CCNC(=O)/C=C/c1ccc(F)cc1)C1Cc2ccccc2C1 | 10.1016/j.bmc.2014.12.012 | ||
| 154725276 | 176266 | 1 | None | -40 | 6 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 478 | 12 | 1 | 3 | 6.5 | CCCN(CCCCNC(=O)c1ccc2ccccc2c1)CC1CC1c1cc(Cl)ccc1OC | 10.1021/acs.jmedchem.9b01835 | ||
| CHEMBL4456964 | 176266 | 1 | None | -40 | 6 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 478 | 12 | 1 | 3 | 6.5 | CCCN(CCCCNC(=O)c1ccc2ccccc2c1)CC1CC1c1cc(Cl)ccc1OC | 10.1021/acs.jmedchem.9b01835 | ||
| CHEMBL4595147 | 176266 | 1 | None | -40 | 6 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 478 | 12 | 1 | 3 | 6.5 | CCCN(CCCCNC(=O)c1ccc2ccccc2c1)CC1CC1c1cc(Cl)ccc1OC | 10.1021/acs.jmedchem.9b01835 | ||
| 11335419 | 67070 | 1 | None | -11 | 6 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 295 | 7 | 0 | 2 | 4.1 | c1ccc(Cc2ccccc2OCCCN2CCCC2)cc1 | 10.1021/jm049720x | ||
| CHEMBL187367 | 67070 | 1 | None | -11 | 6 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 295 | 7 | 0 | 2 | 4.1 | c1ccc(Cc2ccccc2OCCCN2CCCC2)cc1 | 10.1021/jm049720x | ||
| 21533446 | 70126 | 0 | None | -30 | 10 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 379 | 6 | 1 | 3 | 4.9 | OC1(c2ccc(Cl)cc2)CCN(CCCSc2ccc(F)cc2)CC1 | 10.1016/j.bmcl.2014.07.018 | ||
| CHEMBL1940403 | 70126 | 0 | None | -30 | 10 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 379 | 6 | 1 | 3 | 4.9 | OC1(c2ccc(Cl)cc2)CCN(CCCSc2ccc(F)cc2)CC1 | 10.1016/j.bmcl.2014.07.018 | ||
| 44436302 | 90605 | 0 | None | -23 | 4 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 429 | 7 | 0 | 6 | 2.4 | COc1ccccc1N1CCN(CCCCN2C(=O)c3ccccc3S2(=O)=O)CC1 | 10.1016/j.bmcl.2021.128028 | ||
| CHEMBL238917 | 90605 | 0 | None | -23 | 4 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 429 | 7 | 0 | 6 | 2.4 | COc1ccccc1N1CCN(CCCCN2C(=O)c3ccccc3S2(=O)=O)CC1 | 10.1016/j.bmcl.2021.128028 | ||
| 44436302 | 90605 | 0 | None | -23 | 4 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 429 | 7 | 0 | 6 | 2.4 | COc1ccccc1N1CCN(CCCCN2C(=O)c3ccccc3S2(=O)=O)CC1 | 10.1016/j.bmc.2007.06.002 | ||
| CHEMBL238917 | 90605 | 0 | None | -23 | 4 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 429 | 7 | 0 | 6 | 2.4 | COc1ccccc1N1CCN(CCCCN2C(=O)c3ccccc3S2(=O)=O)CC1 | 10.1016/j.bmc.2007.06.002 | ||
| 681 | 1453 | 72 | None | -67 | 39 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 153 | 2 | 3 | 3 | 0.6 | NCCc1ccc(c(c1)O)O | 10.1021/jm401384w | ||
| 940 | 1453 | 72 | None | -67 | 39 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 153 | 2 | 3 | 3 | 0.6 | NCCc1ccc(c(c1)O)O | 10.1021/jm401384w | ||
| 947 | 1453 | 72 | None | -67 | 39 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 153 | 2 | 3 | 3 | 0.6 | NCCc1ccc(c(c1)O)O | 10.1021/jm401384w | ||
| CHEMBL59 | 1453 | 72 | None | -67 | 39 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 153 | 2 | 3 | 3 | 0.6 | NCCc1ccc(c(c1)O)O | 10.1021/jm401384w | ||
| DB00988 | 1453 | 72 | None | -67 | 39 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 153 | 2 | 3 | 3 | 0.6 | NCCc1ccc(c(c1)O)O | 10.1021/jm401384w | ||
| 11573806 | 75387 | 0 | None | -6 | 4 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 311 | 2 | 0 | 3 | 3.3 | COc1ccc2c(c1)CCN(C)CCc1cc(OC)ccc1C2 | 10.1021/jm051237e | ||
| CHEMBL204065 | 75387 | 0 | None | -6 | 4 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 311 | 2 | 0 | 3 | 3.3 | COc1ccc2c(c1)CCN(C)CCc1cc(OC)ccc1C2 | 10.1021/jm051237e | ||
| 11151831 | 13088 | 0 | None | - | 1 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 299 | 4 | 1 | 2 | 3.9 | CCCN(C)[C@@H]1Cc2cc(O)c(F)cc2[C@H]1c1ccccc1 | 10.1021/jm040889k | ||
| CHEMBL1190453 | 13088 | 0 | None | - | 1 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 299 | 4 | 1 | 2 | 3.9 | CCCN(C)[C@@H]1Cc2cc(O)c(F)cc2[C@H]1c1ccccc1 | 10.1021/jm040889k | ||
| CHEMBL540868 | 13088 | 0 | None | - | 1 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 299 | 4 | 1 | 2 | 3.9 | CCCN(C)[C@@H]1Cc2cc(O)c(F)cc2[C@H]1c1ccccc1 | 10.1021/jm040889k | ||
| 154706513 | 176562 | 1 | None | -18 | 5 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 480 | 12 | 0 | 6 | 5.6 | COc1ccc(F)cc1C1CC1CN(CCCSc1nnc(-c2ccccc2)n1C)CC1CC1 | 10.1021/acs.jmedchem.9b01835 | ||
| CHEMBL4440698 | 176562 | 1 | None | -18 | 5 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 480 | 12 | 0 | 6 | 5.6 | COc1ccc(F)cc1C1CC1CN(CCCSc1nnc(-c2ccccc2)n1C)CC1CC1 | 10.1021/acs.jmedchem.9b01835 | ||
| CHEMBL4597532 | 176562 | 1 | None | -18 | 5 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 480 | 12 | 0 | 6 | 5.6 | COc1ccc(F)cc1C1CC1CN(CCCSc1nnc(-c2ccccc2)n1C)CC1CC1 | 10.1021/acs.jmedchem.9b01835 | ||
| 53324045 | 57041 | 0 | None | -3 | 16 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 487 | 7 | 1 | 2 | 7.3 | OC1(c2ccc(Cl)c(C(F)(F)F)c2)CCN(CCCC(c2ccccc2)c2ccccc2)CC1 | 10.1016/j.bmcl.2018.10.036 | ||
| CHEMBL1644980 | 57041 | 0 | None | -3 | 16 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 487 | 7 | 1 | 2 | 7.3 | OC1(c2ccc(Cl)c(C(F)(F)F)c2)CCN(CCCC(c2ccccc2)c2ccccc2)CC1 | 10.1016/j.bmcl.2018.10.036 | ||
| 3038495 | 705 | 37 | None | -831 | 19 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 417 | 8 | 1 | 4 | 4.2 | COc1ccccc1N1CCN(CC1)CCCCNC(=O)c1ccc2c(c1)cccc2 | 10.1021/acs.jmedchem.9b01835 | ||
| 7625 | 705 | 37 | None | -831 | 19 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 417 | 8 | 1 | 4 | 4.2 | COc1ccccc1N1CCN(CC1)CCCCNC(=O)c1ccc2c(c1)cccc2 | 10.1021/acs.jmedchem.9b01835 | ||
| CHEMBL25236 | 705 | 37 | None | -831 | 19 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 417 | 8 | 1 | 4 | 4.2 | COc1ccccc1N1CCN(CC1)CCCCNC(=O)c1ccc2c(c1)cccc2 | 10.1021/acs.jmedchem.9b01835 | ||
| 1242 | 3586 | 27 | None | -6 | 18 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 255 | 1 | 3 | 3 | 2.4 | Oc1cc2CCNCC(c2cc1O)c1ccccc1 | 10.1016/j.bmc.2011.08.033 | ||
| 935 | 3586 | 27 | None | -6 | 18 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 255 | 1 | 3 | 3 | 2.4 | Oc1cc2CCNCC(c2cc1O)c1ccccc1 | 10.1016/j.bmc.2011.08.033 | ||
| CHEMBL286080 | 3586 | 27 | None | -6 | 18 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 255 | 1 | 3 | 3 | 2.4 | Oc1cc2CCNCC(c2cc1O)c1ccccc1 | 10.1016/j.bmc.2011.08.033 | ||
| 33630 | 178933 | 99 | None | -5 | 28 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 523 | 7 | 1 | 2 | 7.5 | OC1(c2ccc(Cl)c(C(F)(F)F)c2)CCN(CCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1 | 10.1016/j.bmcl.2018.10.036 | ||
| CHEMBL47050 | 178933 | 99 | None | -5 | 28 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 523 | 7 | 1 | 2 | 7.5 | OC1(c2ccc(Cl)c(C(F)(F)F)c2)CCN(CCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1 | 10.1016/j.bmcl.2018.10.036 | ||
| 164609730 | 185075 | 0 | None | -1 | 3 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 398 | 2 | 1 | 5 | 3.5 | CC(C)(C)OC(=O)NCC#Cc1ccc2c(c1)C=C([N+](=O)[O-])C(C(F)(F)F)O2 | 10.1016/j.bmcl.2021.128008 | ||
| CHEMBL4856060 | 185075 | 0 | None | -1 | 3 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 398 | 2 | 1 | 5 | 3.5 | CC(C)(C)OC(=O)NCC#Cc1ccc2c(c1)C=C([N+](=O)[O-])C(C(F)(F)F)O2 | 10.1016/j.bmcl.2021.128008 | ||
| 11154178 | 200203 | 0 | None | -64 | 3 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 412 | 4 | 1 | 3 | 4.6 | CC(=O)N(Cc1ccc([C@H]2CN(C)CCc3cc(Cl)c(O)cc32)cc1)C1CCC1 | 10.1016/j.bmcl.2009.12.100 | ||
| CHEMBL596824 | 200203 | 0 | None | -64 | 3 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 412 | 4 | 1 | 3 | 4.6 | CC(=O)N(Cc1ccc([C@H]2CN(C)CCc3cc(Cl)c(O)cc32)cc1)C1CCC1 | 10.1016/j.bmcl.2009.12.100 | ||
| 122191607 | 123696 | 0 | None | -1778 | 5 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 468 | 9 | 1 | 3 | 5.0 | CCCN(CCN1CCN(CCc2c[nH]c3ccccc23)CC1)c1ccc(Br)cc1 | 10.1021/acsmedchemlett.5b00131 | ||
| CHEMBL3622099 | 123696 | 0 | None | -1778 | 5 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 468 | 9 | 1 | 3 | 5.0 | CCCN(CCN1CCN(CCc2c[nH]c3ccccc23)CC1)c1ccc(Br)cc1 | 10.1021/acsmedchemlett.5b00131 | ||
| 137654675 | 158610 | 0 | None | -3388 | 6 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 433 | 7 | 2 | 7 | 2.9 | O=c1ccc2c(N3CCN(CCCCOc4ccn5nccc5c4)CC3)ccc(O)c2[nH]1 | 10.1021/acs.jmedchem.7b00363 | ||
| CHEMBL4092441 | 158610 | 0 | None | -3388 | 6 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 433 | 7 | 2 | 7 | 2.9 | O=c1ccc2c(N3CCN(CCCCOc4ccn5nccc5c4)CC3)ccc(O)c2[nH]1 | 10.1021/acs.jmedchem.7b00363 | ||
| 11739113 | 13065 | 0 | None | - | 1 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 297 | 4 | 1 | 2 | 3.7 | C=CCN(C)[C@@H]1Cc2cc(F)c(O)cc2[C@H]1c1ccccc1 | 10.1021/jm040889k | ||
| CHEMBL1190331 | 13065 | 0 | None | - | 1 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 297 | 4 | 1 | 2 | 3.7 | C=CCN(C)[C@@H]1Cc2cc(F)c(O)cc2[C@H]1c1ccccc1 | 10.1021/jm040889k | ||
| CHEMBL540613 | 13065 | 0 | None | - | 1 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 297 | 4 | 1 | 2 | 3.7 | C=CCN(C)[C@@H]1Cc2cc(F)c(O)cc2[C@H]1c1ccccc1 | 10.1021/jm040889k | ||
| 57391216 | 70139 | 0 | None | -66 | 8 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 332 | 6 | 0 | 5 | 2.9 | Fc1ccc(SCCCN2CCN(c3ncccn3)CC2)cc1 | 10.1016/j.bmc.2014.04.026 | ||
| CHEMBL1940416 | 70139 | 0 | None | -66 | 8 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 332 | 6 | 0 | 5 | 2.9 | Fc1ccc(SCCCN2CCN(c3ncccn3)CC2)cc1 | 10.1016/j.bmc.2014.04.026 | ||
| 11716449 | 141190 | 0 | None | 2 | 4 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 304 | 1 | 1 | 1 | 4.2 | CCN1CCc2ccccc2Cc2[nH]c3ccccc3c2CC1 | 10.1021/jm050846j | ||
| CHEMBL382850 | 141190 | 0 | None | 2 | 4 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 304 | 1 | 1 | 1 | 4.2 | CCN1CCc2ccccc2Cc2[nH]c3ccccc3c2CC1 | 10.1021/jm050846j | ||
| 164609539 | 184375 | 0 | None | -2 | 3 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 428 | 2 | 0 | 5 | 3.3 | O=C1c2ccccc2C(=O)N1CC#Cc1ccc2c(c1)C=C([N+](=O)[O-])C(C(F)(F)F)O2 | 10.1016/j.bmcl.2021.128008 | ||
| CHEMBL4845850 | 184375 | 0 | None | -2 | 3 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 428 | 2 | 0 | 5 | 3.3 | O=C1c2ccccc2C(=O)N1CC#Cc1ccc2c(c1)C=C([N+](=O)[O-])C(C(F)(F)F)O2 | 10.1016/j.bmcl.2021.128008 | ||
| 145988180 | 165207 | 0 | None | -12 | 6 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 303 | 10 | 1 | 2 | 5.3 | CCCCCCCCCCN1CCC(c2cccc(O)c2)C1 | 10.1016/j.bmcl.2018.03.084 | ||
| CHEMBL4229178 | 165207 | 0 | None | -12 | 6 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 303 | 10 | 1 | 2 | 5.3 | CCCCCCCCCCN1CCC(c2cccc(O)c2)C1 | 10.1016/j.bmcl.2018.03.084 | ||
| 164585473 | 184538 | 0 | None | -2 | 5 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 503 | 5 | 1 | 2 | 7.2 | O=CN1CCC(c2ccc(-c3cc(C(=O)O)cc4cc(-c5ccc(C(F)(F)F)cc5)ccc34)cc2)CC1 | 10.1021/acs.jmedchem.1c00164 | ||
| CHEMBL4848380 | 184538 | 0 | None | -2 | 5 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 503 | 5 | 1 | 2 | 7.2 | O=CN1CCC(c2ccc(-c3cc(C(=O)O)cc4cc(-c5ccc(C(F)(F)F)cc5)ccc34)cc2)CC1 | 10.1021/acs.jmedchem.1c00164 | ||
| 44209480 | 70141 | 0 | None | -1318 | 11 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 313 | 6 | 0 | 3 | 3.4 | Fc1ccc(CCCCN2CCN(c3ccccn3)CC2)cc1 | 10.1016/j.bmc.2014.04.026 | ||
| CHEMBL1940418 | 70141 | 0 | None | -1318 | 11 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 313 | 6 | 0 | 3 | 3.4 | Fc1ccc(CCCCN2CCN(c3ccccn3)CC2)cc1 | 10.1016/j.bmc.2014.04.026 | ||
| 11637457 | 73058 | 1 | None | -1 | 5 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 257 | 0 | 0 | 2 | 3.4 | CN1CCc2ccccc2Cc2ccsc2CC1 | 10.1039/C5MD00258C | ||
| CHEMBL201093 | 73058 | 1 | None | -1 | 5 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 257 | 0 | 0 | 2 | 3.4 | CN1CCc2ccccc2Cc2ccsc2CC1 | 10.1039/C5MD00258C | ||
| 228 | 444 | 28 | None | -3 | 24 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 267 | 0 | 2 | 3 | 2.9 | CN1CCc2c3[C@H]1Cc1ccc(c(c1c3ccc2)O)O | 10.1016/j.bmcl.2020.127053 | ||
| 33 | 444 | 28 | None | -3 | 24 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 267 | 0 | 2 | 3 | 2.9 | CN1CCc2c3[C@H]1Cc1ccc(c(c1c3ccc2)O)O | 10.1016/j.bmcl.2020.127053 | ||
| 6005 | 444 | 28 | None | -3 | 24 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 267 | 0 | 2 | 3 | 2.9 | CN1CCc2c3[C@H]1Cc1ccc(c(c1c3ccc2)O)O | 10.1016/j.bmcl.2020.127053 | ||
| CHEMBL53 | 444 | 28 | None | -3 | 24 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 267 | 0 | 2 | 3 | 2.9 | CN1CCc2c3[C@H]1Cc1ccc(c(c1c3ccc2)O)O | 10.1016/j.bmcl.2020.127053 | ||
| DB00714 | 444 | 28 | None | -3 | 24 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 267 | 0 | 2 | 3 | 2.9 | CN1CCc2c3[C@H]1Cc1ccc(c(c1c3ccc2)O)O | 10.1016/j.bmcl.2020.127053 | ||
| 3246443 | 37656 | 2 | None | -2 | 6 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 325 | 1 | 1 | 5 | 2.8 | COc1c(O)ccc2c1CN1CCc3cc4c(cc3[C@@H]1C2)OCO4 | 10.1016/j.bmcl.2017.01.090 | ||
| CHEMBL1457510 | 37656 | 2 | None | -2 | 6 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 325 | 1 | 1 | 5 | 2.8 | COc1c(O)ccc2c1CN1CCc3cc4c(cc3[C@@H]1C2)OCO4 | 10.1016/j.bmcl.2017.01.090 | ||
| 137636066 | 156209 | 0 | None | -9549 | 6 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 480 | 7 | 3 | 7 | 3.0 | O=C1CCc2ccc(OCCCCN3CCCN(c4ccc(O)c5c4OCC(=O)N5)CC3)cc2N1 | 10.1021/acs.jmedchem.7b00363 | ||
| CHEMBL4064742 | 156209 | 0 | None | -9549 | 6 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 480 | 7 | 3 | 7 | 3.0 | O=C1CCc2ccc(OCCCCN3CCCN(c4ccc(O)c5c4OCC(=O)N5)CC3)cc2N1 | 10.1021/acs.jmedchem.7b00363 | ||
| 11439436 | 12762 | 0 | None | - | 1 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 311 | 5 | 0 | 2 | 4.0 | C=CCN(C)[C@@H]1Cc2cc(OC)c(F)cc2[C@H]1c1ccccc1 | 10.1021/jm040889k | ||
| CHEMBL1188091 | 12762 | 0 | None | - | 1 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 311 | 5 | 0 | 2 | 4.0 | C=CCN(C)[C@@H]1Cc2cc(OC)c(F)cc2[C@H]1c1ccccc1 | 10.1021/jm040889k | ||
| CHEMBL535151 | 12762 | 0 | None | - | 1 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 311 | 5 | 0 | 2 | 4.0 | C=CCN(C)[C@@H]1Cc2cc(OC)c(F)cc2[C@H]1c1ccccc1 | 10.1021/jm040889k | ||
| 46227284 | 199692 | 0 | None | 1 | 2 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 281 | 1 | 0 | 2 | 3.5 | COc1ccc2c(c1)CCN(C)Cc1ccccc1CC2 | 10.1016/j.bmc.2009.08.028 | ||
| CHEMBL593394 | 199692 | 0 | None | 1 | 2 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 281 | 1 | 0 | 2 | 3.5 | COc1ccc2c(c1)CCN(C)Cc1ccccc1CC2 | 10.1016/j.bmc.2009.08.028 | ||
| 90644071 | 112015 | 0 | None | -8 | 5 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 368 | 5 | 0 | 3 | 5.2 | Clc1ccc(N2CCCN(CCCc3cc4ccccc4o3)CC2)cc1 | 10.1016/j.bmc.2014.04.026 | ||
| CHEMBL3289655 | 112015 | 0 | None | -8 | 5 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 368 | 5 | 0 | 3 | 5.2 | Clc1ccc(N2CCCN(CCCc3cc4ccccc4o3)CC2)cc1 | 10.1016/j.bmc.2014.04.026 | ||
| 45379377 | 7425 | 0 | None | 1 | 3 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 274 | 0 | 1 | 1 | 3.7 | c1ccc2c(c1)CCN1CCc3cccc4[nH]cc(c34)C21 | 10.1021/jm901291r | ||
| CHEMBL1086790 | 7425 | 0 | None | 1 | 3 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 274 | 0 | 1 | 1 | 3.7 | c1ccc2c(c1)CCN1CCc3cccc4[nH]cc(c34)C21 | 10.1021/jm901291r | ||
| 44591134 | 176176 | 0 | None | -125 | 6 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 535 | 11 | 0 | 5 | 7.7 | CN(CCCN1c2ccccc2Sc2ccc(Cl)cc21)Cc1ccc(OCCCN2CCCCC2)cc1 | 10.1016/j.bmcl.2008.09.012 | ||
| CHEMBL459373 | 176176 | 0 | None | -125 | 6 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 535 | 11 | 0 | 5 | 7.7 | CN(CCCN1c2ccccc2Sc2ccc(Cl)cc21)Cc1ccc(OCCCN2CCCCC2)cc1 | 10.1016/j.bmcl.2008.09.012 | ||
| 72164182 | 92121 | 0 | None | -25 | 5 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 326 | 3 | 0 | 3 | 4.4 | Clc1ccc(N2CCN(Cc3cccs3)CC2)cc1Cl | 10.1016/j.bmcl.2013.07.033 | ||
| CHEMBL2420777 | 92121 | 0 | None | -25 | 5 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 326 | 3 | 0 | 3 | 4.4 | Clc1ccc(N2CCN(Cc3cccs3)CC2)cc1Cl | 10.1016/j.bmcl.2013.07.033 | ||
| 154703647 | 176341 | 1 | None | -28 | 5 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 468 | 12 | 0 | 6 | 5.6 | CCOc1ccc(F)cc1C1CC1CN(CC)CCCSc1nnc(-c2ccccc2)n1C | 10.1021/acs.jmedchem.9b01835 | ||
| CHEMBL4450429 | 176341 | 1 | None | -28 | 5 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 468 | 12 | 0 | 6 | 5.6 | CCOc1ccc(F)cc1C1CC1CN(CC)CCCSc1nnc(-c2ccccc2)n1C | 10.1021/acs.jmedchem.9b01835 | ||
| CHEMBL4595728 | 176341 | 1 | None | -28 | 5 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 468 | 12 | 0 | 6 | 5.6 | CCOc1ccc(F)cc1C1CC1CN(CC)CCCSc1nnc(-c2ccccc2)n1C | 10.1021/acs.jmedchem.9b01835 | ||
| 6603820 | 95745 | 19 | None | -1 | 13 | Rat | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 267 | 0 | 3 | 3 | 2.6 | Oc1cc2c(cc1O)[C@H]1c3ccccc3CN[C@@H]1CC2 | 10.1016/j.bmc.2009.08.028 | ||
| CHEMBL25856 | 95745 | 19 | None | -1 | 13 | Rat | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 267 | 0 | 3 | 3 | 2.6 | Oc1cc2c(cc1O)[C@H]1c3ccccc3CN[C@@H]1CC2 | 10.1016/j.bmc.2009.08.028 | ||
| 10200496 | 83564 | 0 | None | -30 | 5 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 391 | 6 | 1 | 3 | 3.6 | O=C(CCCN1CC[Si](O)(c2ccc(Cl)cc2)CC1)c1ccc(F)cc1 | 10.1021/jm1013693 | ||
| CHEMBL2204343 | 83564 | 0 | None | -30 | 5 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 391 | 6 | 1 | 3 | 3.6 | O=C(CCCN1CC[Si](O)(c2ccc(Cl)cc2)CC1)c1ccc(F)cc1 | 10.1021/jm1013693 | ||
| 242 | 469 | 124 | None | -380 | 52 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | 10.1016/j.bmc.2017.08.037 | ||
| 34 | 469 | 124 | None | -380 | 52 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | 10.1016/j.bmc.2017.08.037 | ||
| 60795 | 469 | 124 | None | -380 | 52 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | 10.1016/j.bmc.2017.08.037 | ||
| CHEMBL1112 | 469 | 124 | None | -380 | 52 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | 10.1016/j.bmc.2017.08.037 | ||
| DB01238 | 469 | 124 | None | -380 | 52 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | 10.1016/j.bmc.2017.08.037 | ||
| 242 | 469 | 124 | None | -380 | 52 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | 10.1021/acs.jmedchem.7b00363 | ||
| 34 | 469 | 124 | None | -380 | 52 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | 10.1021/acs.jmedchem.7b00363 | ||
| 60795 | 469 | 124 | None | -380 | 52 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | 10.1021/acs.jmedchem.7b00363 | ||
| CHEMBL1112 | 469 | 124 | None | -380 | 52 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | 10.1021/acs.jmedchem.7b00363 | ||
| DB01238 | 469 | 124 | None | -380 | 52 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | 10.1021/acs.jmedchem.7b00363 | ||
| 163198500 | 186374 | 3 | None | 3 | 2 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 371 | 1 | 0 | 3 | 3.2 | O=[N+]([O-])C1=Cc2cc(I)ccc2OC1C(F)(F)F | 10.1016/j.bmcl.2021.128008 | ||
| CHEMBL4875858 | 186374 | 3 | None | 3 | 2 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 371 | 1 | 0 | 3 | 3.2 | O=[N+]([O-])C1=Cc2cc(I)ccc2OC1C(F)(F)F | 10.1016/j.bmcl.2021.128008 | ||
| 137655795 | 158558 | 0 | None | -6309 | 6 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 453 | 7 | 2 | 7 | 3.0 | O=C1CCc2ccc(OCCCCN3CCN(c4ccc(O)c5c4OCCO5)CC3)cc2N1 | 10.1021/acs.jmedchem.7b00363 | ||
| CHEMBL4091933 | 158558 | 0 | None | -6309 | 6 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 453 | 7 | 2 | 7 | 3.0 | O=C1CCc2ccc(OCCCCN3CCN(c4ccc(O)c5c4OCCO5)CC3)cc2N1 | 10.1021/acs.jmedchem.7b00363 | ||
| 137660046 | 159319 | 0 | None | -22387 | 6 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 437 | 7 | 2 | 8 | 2.4 | O=C1COc2c(N3CCN(CCCCOc4ccn5nccc5c4)CC3)ccc(O)c2N1 | 10.1021/acs.jmedchem.7b00363 | ||
| CHEMBL4100183 | 159319 | 0 | None | -22387 | 6 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 437 | 7 | 2 | 8 | 2.4 | O=C1COc2c(N3CCN(CCCCOc4ccn5nccc5c4)CC3)ccc(O)c2N1 | 10.1021/acs.jmedchem.7b00363 | ||
| 11324023 | 12779 | 0 | None | - | 1 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 299 | 4 | 1 | 2 | 3.9 | CCCN(C)[C@@H]1Cc2cc(F)c(O)cc2[C@H]1c1ccccc1 | 10.1021/jm040889k | ||
| CHEMBL1188254 | 12779 | 0 | None | - | 1 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 299 | 4 | 1 | 2 | 3.9 | CCCN(C)[C@@H]1Cc2cc(F)c(O)cc2[C@H]1c1ccccc1 | 10.1021/jm040889k | ||
| CHEMBL535823 | 12779 | 0 | None | - | 1 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 299 | 4 | 1 | 2 | 3.9 | CCCN(C)[C@@H]1Cc2cc(F)c(O)cc2[C@H]1c1ccccc1 | 10.1021/jm040889k | ||
| 11416811 | 12793 | 0 | None | - | 1 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 313 | 5 | 0 | 2 | 4.2 | CCCN(C)[C@@H]1Cc2cc(OC)c(F)cc2[C@H]1c1ccccc1 | 10.1021/jm040889k | ||
| CHEMBL1188384 | 12793 | 0 | None | - | 1 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 313 | 5 | 0 | 2 | 4.2 | CCCN(C)[C@@H]1Cc2cc(OC)c(F)cc2[C@H]1c1ccccc1 | 10.1021/jm040889k | ||
| CHEMBL536271 | 12793 | 0 | None | - | 1 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 313 | 5 | 0 | 2 | 4.2 | CCCN(C)[C@@H]1Cc2cc(OC)c(F)cc2[C@H]1c1ccccc1 | 10.1021/jm040889k | ||
| 11438636 | 13087 | 0 | None | - | 1 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 285 | 3 | 0 | 2 | 3.5 | COc1cc2c(cc1F)C[C@@H](N(C)C)[C@@H]2c1ccccc1 | 10.1021/jm040889k | ||
| CHEMBL1190452 | 13087 | 0 | None | - | 1 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 285 | 3 | 0 | 2 | 3.5 | COc1cc2c(cc1F)C[C@@H](N(C)C)[C@@H]2c1ccccc1 | 10.1021/jm040889k | ||
| CHEMBL540867 | 13087 | 0 | None | - | 1 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 285 | 3 | 0 | 2 | 3.5 | COc1cc2c(cc1F)C[C@@H](N(C)C)[C@@H]2c1ccccc1 | 10.1021/jm040889k | ||
| 11818686 | 13865 | 0 | None | - | 1 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 257 | 2 | 1 | 2 | 2.9 | COc1cc2c(cc1F)[C@@H](c1ccccc1)[C@H](N)C2 | 10.1021/jm040889k | ||
| CHEMBL1196231 | 13865 | 0 | None | - | 1 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 257 | 2 | 1 | 2 | 2.9 | COc1cc2c(cc1F)[C@@H](c1ccccc1)[C@H](N)C2 | 10.1021/jm040889k | ||
| CHEMBL556194 | 13865 | 0 | None | - | 1 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 257 | 2 | 1 | 2 | 2.9 | COc1cc2c(cc1F)[C@@H](c1ccccc1)[C@H](N)C2 | 10.1021/jm040889k | ||
| 85658088 | 164979 | 0 | None | -5 | 6 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 219 | 4 | 1 | 2 | 3.0 | CCCCN1CCC(c2cccc(O)c2)C1 | 10.1016/j.bmcl.2018.03.084 | ||
| CHEMBL4225830 | 164979 | 0 | None | -5 | 6 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 219 | 4 | 1 | 2 | 3.0 | CCCCN1CCC(c2cccc(O)c2)C1 | 10.1016/j.bmcl.2018.03.084 | ||
| 44436300 | 148812 | 0 | None | -64 | 4 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 399 | 6 | 0 | 5 | 2.4 | O=C1c2ccccc2S(=O)(=O)N1CCCCN1CCN(c2ccccc2)CC1 | 10.1016/j.bmcl.2021.128028 | ||
| CHEMBL394110 | 148812 | 0 | None | -64 | 4 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 399 | 6 | 0 | 5 | 2.4 | O=C1c2ccccc2S(=O)(=O)N1CCCCN1CCN(c2ccccc2)CC1 | 10.1016/j.bmcl.2021.128028 | ||
| 44436300 | 148812 | 0 | None | -64 | 4 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 399 | 6 | 0 | 5 | 2.4 | O=C1c2ccccc2S(=O)(=O)N1CCCCN1CCN(c2ccccc2)CC1 | 10.1016/j.bmc.2007.06.002 | ||
| CHEMBL394110 | 148812 | 0 | None | -64 | 4 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 399 | 6 | 0 | 5 | 2.4 | O=C1c2ccccc2S(=O)(=O)N1CCCCN1CCN(c2ccccc2)CC1 | 10.1016/j.bmc.2007.06.002 | ||
| 17755866 | 142859 | 1 | None | -1 | 5 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 281 | 0 | 1 | 2 | 3.4 | CN1CCCc2cc(O)ccc2Cc2ccccc2CC1 | 10.1021/jm070388+ | ||
| CHEMBL389356 | 142859 | 1 | None | -1 | 5 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 281 | 0 | 1 | 2 | 3.4 | CN1CCCc2cc(O)ccc2Cc2ccccc2CC1 | 10.1021/jm070388+ | ||
| 180 | 400 | 56 | None | -112 | 40 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | 10.1016/j.bmcl.2008.09.012 | ||
| 200 | 400 | 56 | None | -112 | 40 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | 10.1016/j.bmcl.2008.09.012 | ||
| 2160 | 400 | 56 | None | -112 | 40 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | 10.1016/j.bmcl.2008.09.012 | ||
| CHEMBL629 | 400 | 56 | None | -112 | 40 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | 10.1016/j.bmcl.2008.09.012 | ||
| DB00321 | 400 | 56 | None | -112 | 40 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | 10.1016/j.bmcl.2008.09.012 | ||
| 44436305 | 154380 | 0 | None | -23 | 3 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 430 | 6 | 0 | 5 | 4.0 | O=c1c2ccccc2ncn1CCCCN1CCN(c2cccc(C(F)(F)F)c2)CC1 | 10.1016/j.bmc.2007.06.002 | ||
| CHEMBL398813 | 154380 | 0 | None | -23 | 3 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 430 | 6 | 0 | 5 | 4.0 | O=c1c2ccccc2ncn1CCCCN1CCN(c2cccc(C(F)(F)F)c2)CC1 | 10.1016/j.bmc.2007.06.002 | ||
| 11464115 | 68605 | 0 | None | -89 | 3 | Rat | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 413 | 6 | 1 | 3 | 4.5 | O=C(NCCCCN1CCN2c3ccccc3CC[C@@H]2C1)c1ccc2ccccc2c1 | 10.1021/jm049031l | ||
| CHEMBL191815 | 68605 | 0 | None | -89 | 3 | Rat | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 413 | 6 | 1 | 3 | 4.5 | O=C(NCCCCN1CCN2c3ccccc3CC[C@@H]2C1)c1ccc2ccccc2c1 | 10.1021/jm049031l | ||
| 2726 | 916 | 68 | None | -47 | 73 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | 10.1016/j.bmcl.2008.09.012 | ||
| 621 | 916 | 68 | None | -47 | 73 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | 10.1016/j.bmcl.2008.09.012 | ||
| 83 | 916 | 68 | None | -47 | 73 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | 10.1016/j.bmcl.2008.09.012 | ||
| CHEMBL71 | 916 | 68 | None | -47 | 73 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | 10.1016/j.bmcl.2008.09.012 | ||
| DB00477 | 916 | 68 | None | -47 | 73 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | 10.1016/j.bmcl.2008.09.012 | ||
| 154705520 | 176236 | 1 | None | -114 | 6 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 448 | 11 | 1 | 3 | 5.6 | CCN(CCCCNC(=O)c1ccc2ccccc2c1)CC1CC1c1cc(F)ccc1OC | 10.1021/acs.jmedchem.9b01835 | ||
| CHEMBL4452683 | 176236 | 1 | None | -114 | 6 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 448 | 11 | 1 | 3 | 5.6 | CCN(CCCCNC(=O)c1ccc2ccccc2c1)CC1CC1c1cc(F)ccc1OC | 10.1021/acs.jmedchem.9b01835 | ||
| CHEMBL4594959 | 176236 | 1 | None | -114 | 6 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 448 | 11 | 1 | 3 | 5.6 | CCN(CCCCNC(=O)c1ccc2ccccc2c1)CC1CC1c1cc(F)ccc1OC | 10.1021/acs.jmedchem.9b01835 | ||
| 76314268 | 106407 | 0 | None | -1230 | 4 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 450 | 3 | 1 | 4 | 3.5 | Oc1ccc2c(c1)O[C@@H](CN1CCN(c3ccc(I)cc3)CC1)CC2 | 10.1021/jm401384w | ||
| CHEMBL3115577 | 106407 | 0 | None | -1230 | 4 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 450 | 3 | 1 | 4 | 3.5 | Oc1ccc2c(c1)O[C@@H](CN1CCN(c3ccc(I)cc3)CC1)CC2 | 10.1021/jm401384w | ||
| CHEMBL3139633 | 106407 | 0 | None | -1230 | 4 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 450 | 3 | 1 | 4 | 3.5 | Oc1ccc2c(c1)O[C@@H](CN1CCN(c3ccc(I)cc3)CC1)CC2 | 10.1021/jm401384w | ||
| 72164180 | 92116 | 0 | None | -38 | 4 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 326 | 3 | 0 | 3 | 4.4 | Clc1cccc(N2CCN(Cc3cccs3)CC2)c1Cl | 10.1016/j.bmcl.2013.07.033 | ||
| CHEMBL2420772 | 92116 | 0 | None | -38 | 4 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 326 | 3 | 0 | 3 | 4.4 | Clc1cccc(N2CCN(Cc3cccs3)CC2)c1Cl | 10.1016/j.bmcl.2013.07.033 | ||
| 11134444 | 90604 | 0 | None | -17 | 7 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 467 | 6 | 0 | 5 | 3.5 | O=C1c2ccccc2S(=O)(=O)N1CCCCN1CCN(c2cccc(C(F)(F)F)c2)CC1 | 10.1016/j.bmcl.2021.128028 | ||
| CHEMBL238916 | 90604 | 0 | None | -17 | 7 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 467 | 6 | 0 | 5 | 3.5 | O=C1c2ccccc2S(=O)(=O)N1CCCCN1CCN(c2cccc(C(F)(F)F)c2)CC1 | 10.1016/j.bmcl.2021.128028 | ||
| 11134444 | 90604 | 0 | None | -17 | 7 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 467 | 6 | 0 | 5 | 3.5 | O=C1c2ccccc2S(=O)(=O)N1CCCCN1CCN(c2cccc(C(F)(F)F)c2)CC1 | 10.1016/j.bmc.2007.06.002 | ||
| CHEMBL238916 | 90604 | 0 | None | -17 | 7 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 467 | 6 | 0 | 5 | 3.5 | O=C1c2ccccc2S(=O)(=O)N1CCCCN1CCN(c2cccc(C(F)(F)F)c2)CC1 | 10.1016/j.bmc.2007.06.002 | ||
| 57401819 | 70131 | 0 | None | -229 | 7 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 346 | 6 | 0 | 2 | 4.6 | Fc1ccc(CCCCN2CCN(c3ccc(Cl)cc3)CC2)cc1 | 10.1016/j.bmc.2014.04.026 | ||
| CHEMBL1940408 | 70131 | 0 | None | -229 | 7 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 346 | 6 | 0 | 2 | 4.6 | Fc1ccc(CCCCN2CCN(c3ccc(Cl)cc3)CC2)cc1 | 10.1016/j.bmc.2014.04.026 | ||
| 76314268 | 106407 | 0 | None | -1230 | 4 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 450 | 3 | 1 | 4 | 3.5 | Oc1ccc2c(c1)O[C@@H](CN1CCN(c3ccc(I)cc3)CC1)CC2 | 10.1021/jm401384w | ||
| CHEMBL3115577 | 106407 | 0 | None | -1230 | 4 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 450 | 3 | 1 | 4 | 3.5 | Oc1ccc2c(c1)O[C@@H](CN1CCN(c3ccc(I)cc3)CC1)CC2 | 10.1021/jm401384w | ||
| CHEMBL3139633 | 106407 | 0 | None | -1230 | 4 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 450 | 3 | 1 | 4 | 3.5 | Oc1ccc2c(c1)O[C@@H](CN1CCN(c3ccc(I)cc3)CC1)CC2 | 10.1021/jm401384w | ||
| 46227325 | 200104 | 0 | None | 1 | 2 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 267 | 0 | 1 | 2 | 3.4 | CN1CCCc2cc(O)ccc2Cc2ccccc2C1 | 10.1016/j.bmc.2009.08.028 | ||
| CHEMBL596179 | 200104 | 0 | None | 1 | 2 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 267 | 0 | 1 | 2 | 3.4 | CN1CCCc2cc(O)ccc2Cc2ccccc2C1 | 10.1016/j.bmc.2009.08.028 | ||
| 11358377 | 202316 | 0 | None | 2 | 2 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 295 | 0 | 0 | 3 | 3.5 | CN1CCCc2cc3c(cc2-c2ccccc2CC1)OCO3 | 10.1016/j.bmc.2009.08.028 | ||
| CHEMBL610449 | 202316 | 0 | None | 2 | 2 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 295 | 0 | 0 | 3 | 3.5 | CN1CCCc2cc3c(cc2-c2ccccc2CC1)OCO3 | 10.1016/j.bmc.2009.08.028 | ||
| 154726793 | 176209 | 1 | None | -61 | 5 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 454 | 11 | 0 | 6 | 5.2 | CCN(CCCSc1nnc(-c2ccccc2)n1C)CC1CC1c1cc(F)ccc1OC | 10.1021/acs.jmedchem.9b01835 | ||
| CHEMBL4590966 | 176209 | 1 | None | -61 | 5 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 454 | 11 | 0 | 6 | 5.2 | CCN(CCCSc1nnc(-c2ccccc2)n1C)CC1CC1c1cc(F)ccc1OC | 10.1021/acs.jmedchem.9b01835 | ||
| CHEMBL4594692 | 176209 | 1 | None | -61 | 5 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 454 | 11 | 0 | 6 | 5.2 | CCN(CCCSc1nnc(-c2ccccc2)n1C)CC1CC1c1cc(F)ccc1OC | 10.1021/acs.jmedchem.9b01835 | ||
| 46227317 | 200140 | 0 | None | -1 | 5 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 265 | 1 | 0 | 2 | 3.4 | COc1ccc2c(c1)CCN1Cc3ccccc3CC21 | 10.1016/j.bmc.2009.08.028 | ||
| CHEMBL596448 | 200140 | 0 | None | -1 | 5 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 265 | 1 | 0 | 2 | 3.4 | COc1ccc2c(c1)CCN1Cc3ccccc3CC21 | 10.1016/j.bmc.2009.08.028 | ||
| 44436306 | 97171 | 0 | None | 1 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 417 | 6 | 0 | 3 | 4.2 | O=C1Cc2ccccc2N1CCCCN1CCN(c2cccc(C(F)(F)F)c2)CC1 | 10.1016/j.bmc.2007.06.002 | ||
| CHEMBL268371 | 97171 | 0 | None | 1 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 417 | 6 | 0 | 3 | 4.2 | O=C1Cc2ccccc2N1CCCCN1CCN(c2cccc(C(F)(F)F)c2)CC1 | 10.1016/j.bmc.2007.06.002 | ||
| 137645830 | 157828 | 0 | None | -478 | 6 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 424 | 7 | 1 | 8 | 2.8 | Oc1ccc(N2CCN(CCCCOc3ccn4nccc4c3)CC2)c2c1OCCO2 | 10.1021/acs.jmedchem.7b00363 | ||
| CHEMBL4083727 | 157828 | 0 | None | -478 | 6 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 424 | 7 | 1 | 8 | 2.8 | Oc1ccc(N2CCN(CCCCOc3ccn4nccc4c3)CC2)c2c1OCCO2 | 10.1021/acs.jmedchem.7b00363 | ||
| 11449266 | 13919 | 0 | None | - | 1 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 257 | 2 | 1 | 2 | 2.9 | COc1cc2c(cc1F)C[C@@H](N)[C@@H]2c1ccccc1 | 10.1021/jm040889k | ||
| CHEMBL1196658 | 13919 | 0 | None | - | 1 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 257 | 2 | 1 | 2 | 2.9 | COc1cc2c(cc1F)C[C@@H](N)[C@@H]2c1ccccc1 | 10.1021/jm040889k | ||
| CHEMBL557781 | 13919 | 0 | None | - | 1 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 257 | 2 | 1 | 2 | 2.9 | COc1cc2c(cc1F)C[C@@H](N)[C@@H]2c1ccccc1 | 10.1021/jm040889k | ||
| 11449669 | 13920 | 0 | None | - | 1 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 271 | 3 | 1 | 2 | 3.1 | CN[C@@H]1Cc2cc(F)c(OC)cc2[C@H]1c1ccccc1 | 10.1021/jm040889k | ||
| CHEMBL1196659 | 13920 | 0 | None | - | 1 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 271 | 3 | 1 | 2 | 3.1 | CN[C@@H]1Cc2cc(F)c(OC)cc2[C@H]1c1ccccc1 | 10.1021/jm040889k | ||
| CHEMBL557782 | 13920 | 0 | None | - | 1 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 271 | 3 | 1 | 2 | 3.1 | CN[C@@H]1Cc2cc(F)c(OC)cc2[C@H]1c1ccccc1 | 10.1021/jm040889k | ||
| 11210215 | 13971 | 0 | None | - | 1 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 311 | 5 | 0 | 2 | 4.0 | C=CCN(C)[C@@H]1Cc2cc(F)c(OC)cc2[C@H]1c1ccccc1 | 10.1021/jm040889k | ||
| CHEMBL1197038 | 13971 | 0 | None | - | 1 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 311 | 5 | 0 | 2 | 4.0 | C=CCN(C)[C@@H]1Cc2cc(F)c(OC)cc2[C@H]1c1ccccc1 | 10.1021/jm040889k | ||
| CHEMBL559164 | 13971 | 0 | None | - | 1 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 311 | 5 | 0 | 2 | 4.0 | C=CCN(C)[C@@H]1Cc2cc(F)c(OC)cc2[C@H]1c1ccccc1 | 10.1021/jm040889k | ||
| 76336022 | 106352 | 0 | None | -512 | 3 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 386 | 6 | 1 | 5 | 3.3 | Oc1ccc2c(c1)O[C@@H](CN1CCN(c3ccc(OCCF)cc3)CC1)CC2 | 10.1021/jm401384w | ||
| CHEMBL3115581 | 106352 | 0 | None | -512 | 3 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 386 | 6 | 1 | 5 | 3.3 | Oc1ccc2c(c1)O[C@@H](CN1CCN(c3ccc(OCCF)cc3)CC1)CC2 | 10.1021/jm401384w | ||
| CHEMBL3139316 | 106352 | 0 | None | -512 | 3 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 386 | 6 | 1 | 5 | 3.3 | Oc1ccc2c(c1)O[C@@H](CN1CCN(c3ccc(OCCF)cc3)CC1)CC2 | 10.1021/jm401384w | ||
| 11775107 | 166192 | 0 | None | -588 | 3 | Rat | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 443 | 7 | 1 | 4 | 4.5 | COc1cccc2c1N1CCN(CCCCNC(=O)c3ccc4ccccc4c3)C[C@@H]1CC2 | 10.1021/jm049031l | ||
| CHEMBL426629 | 166192 | 0 | None | -588 | 3 | Rat | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 443 | 7 | 1 | 4 | 4.5 | COc1cccc2c1N1CCN(CCCCNC(=O)c3ccc4ccccc4c3)C[C@@H]1CC2 | 10.1021/jm049031l | ||
| 76336022 | 106352 | 0 | None | -512 | 3 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 386 | 6 | 1 | 5 | 3.3 | Oc1ccc2c(c1)O[C@@H](CN1CCN(c3ccc(OCCF)cc3)CC1)CC2 | 10.1021/jm401384w | ||
| CHEMBL3115581 | 106352 | 0 | None | -512 | 3 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 386 | 6 | 1 | 5 | 3.3 | Oc1ccc2c(c1)O[C@@H](CN1CCN(c3ccc(OCCF)cc3)CC1)CC2 | 10.1021/jm401384w | ||
| CHEMBL3139316 | 106352 | 0 | None | -512 | 3 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 386 | 6 | 1 | 5 | 3.3 | Oc1ccc2c(c1)O[C@@H](CN1CCN(c3ccc(OCCF)cc3)CC1)CC2 | 10.1021/jm401384w | ||
| 135398737 | 955 | 93 | None | -89 | 92 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 10.1016/j.bmcl.2008.09.012 | ||
| 38 | 955 | 93 | None | -89 | 92 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 10.1016/j.bmcl.2008.09.012 | ||
| 722 | 955 | 93 | None | -89 | 92 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 10.1016/j.bmcl.2008.09.012 | ||
| CHEMBL42 | 955 | 93 | None | -89 | 92 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 10.1016/j.bmcl.2008.09.012 | ||
| DB00363 | 955 | 93 | None | -89 | 92 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 10.1016/j.bmcl.2008.09.012 | ||
| 75306277 | 109227 | 0 | None | -99 | 23 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 308 | 0 | 0 | 3 | 4.2 | CN1CCC2C(C1)c1cccc3c1N2c1ccccc1CS3 | 10.1039/C2MD00311B | ||
| CHEMBL3217984 | 109227 | 0 | None | -99 | 23 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 308 | 0 | 0 | 3 | 4.2 | CN1CCC2C(C1)c1cccc3c1N2c1ccccc1CS3 | 10.1039/C2MD00311B | ||
| 90644062 | 112007 | 0 | None | -104 | 5 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 345 | 6 | 0 | 4 | 3.8 | Cc1ccc(N2CCN(CCCSc3ccc(F)cc3)CC2)nc1 | 10.1016/j.bmc.2014.04.026 | ||
| CHEMBL3289647 | 112007 | 0 | None | -104 | 5 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 345 | 6 | 0 | 4 | 3.8 | Cc1ccc(N2CCN(CCCSc3ccc(F)cc3)CC2)nc1 | 10.1016/j.bmc.2014.04.026 | ||
| 154727843 | 176409 | 1 | None | -17 | 5 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 486 | 13 | 0 | 6 | 5.6 | CCN(CCCSc1nnc(-c2ccccc2)n1C)CC1CC1c1cc(F)ccc1OCCF | 10.1021/acs.jmedchem.9b01835 | ||
| CHEMBL4448853 | 176409 | 1 | None | -17 | 5 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 486 | 13 | 0 | 6 | 5.6 | CCN(CCCSc1nnc(-c2ccccc2)n1C)CC1CC1c1cc(F)ccc1OCCF | 10.1021/acs.jmedchem.9b01835 | ||
| CHEMBL4596221 | 176409 | 1 | None | -17 | 5 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 486 | 13 | 0 | 6 | 5.6 | CCN(CCCSc1nnc(-c2ccccc2)n1C)CC1CC1c1cc(F)ccc1OCCF | 10.1021/acs.jmedchem.9b01835 | ||
| 107930 | 1517 | 26 | None | -1 | 6 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 313 | 0 | 1 | 2 | 4.0 | CN1CCc2c([C@@H]3[C@@H]1CCc1c3cccc1)cc(c(c2)Cl)O | 10.1016/j.bmcl.2009.12.100 | ||
| 3304 | 1517 | 26 | None | -1 | 6 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 313 | 0 | 1 | 2 | 4.0 | CN1CCc2c([C@@H]3[C@@H]1CCc1c3cccc1)cc(c(c2)Cl)O | 10.1016/j.bmcl.2009.12.100 | ||
| CHEMBL298406 | 1517 | 26 | None | -1 | 6 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 313 | 0 | 1 | 2 | 4.0 | CN1CCc2c([C@@H]3[C@@H]1CCc1c3cccc1)cc(c(c2)Cl)O | 10.1016/j.bmcl.2009.12.100 | ||
| DB12273 | 1517 | 26 | None | -1 | 6 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 313 | 0 | 1 | 2 | 4.0 | CN1CCc2c([C@@H]3[C@@H]1CCc1c3cccc1)cc(c(c2)Cl)O | 10.1016/j.bmcl.2009.12.100 | ||
| 107930 | 1517 | 26 | None | -1 | 6 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 313 | 0 | 1 | 2 | 4.0 | CN1CCc2c([C@@H]3[C@@H]1CCc1c3cccc1)cc(c(c2)Cl)O | 10.1016/j.bmcl.2009.12.094 | ||
| 3304 | 1517 | 26 | None | -1 | 6 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 313 | 0 | 1 | 2 | 4.0 | CN1CCc2c([C@@H]3[C@@H]1CCc1c3cccc1)cc(c(c2)Cl)O | 10.1016/j.bmcl.2009.12.094 | ||
| CHEMBL298406 | 1517 | 26 | None | -1 | 6 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 313 | 0 | 1 | 2 | 4.0 | CN1CCc2c([C@@H]3[C@@H]1CCc1c3cccc1)cc(c(c2)Cl)O | 10.1016/j.bmcl.2009.12.094 | ||
| DB12273 | 1517 | 26 | None | -1 | 6 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 313 | 0 | 1 | 2 | 4.0 | CN1CCc2c([C@@H]3[C@@H]1CCc1c3cccc1)cc(c(c2)Cl)O | 10.1016/j.bmcl.2009.12.094 | ||
| 46231927 | 201513 | 0 | None | -2 | 4 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 432 | 3 | 1 | 4 | 5.4 | CN1CCc2cc(Cl)c(O)cc2[C@H]2c3cccc(/C=N/Oc4ccccc4)c3CC[C@@H]21 | 10.1016/j.bmcl.2009.12.094 | ||
| CHEMBL605354 | 201513 | 0 | None | -2 | 4 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 432 | 3 | 1 | 4 | 5.4 | CN1CCc2cc(Cl)c(O)cc2[C@H]2c3cccc(/C=N/Oc4ccccc4)c3CC[C@@H]21 | 10.1016/j.bmcl.2009.12.094 | ||
| 1243 | 3591 | 34 | None | -3 | 5 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 331 | 1 | 1 | 2 | 3.8 | CN1CCc2c(C(C1)c1ccccc1)cc(c(c2)Br)O | 10.1016/j.bmcl.2020.127053 | ||
| 944 | 3591 | 34 | None | -3 | 5 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 331 | 1 | 1 | 2 | 3.8 | CN1CCc2c(C(C1)c1ccccc1)cc(c(c2)Br)O | 10.1016/j.bmcl.2020.127053 | ||
| CHEMBL324017 | 3591 | 34 | None | -3 | 5 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 331 | 1 | 1 | 2 | 3.8 | CN1CCc2c(C(C1)c1ccccc1)cc(c(c2)Br)O | 10.1016/j.bmcl.2020.127053 | ||
| 45379369 | 7490 | 0 | None | 1 | 5 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 290 | 0 | 1 | 1 | 3.8 | CN1CCc2ccccc2Cc2c[nH]c3cccc(c23)CC1 | 10.1021/jm901291r | ||
| CHEMBL1087300 | 7490 | 0 | None | 1 | 5 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 290 | 0 | 1 | 1 | 3.8 | CN1CCc2ccccc2Cc2c[nH]c3cccc(c23)CC1 | 10.1021/jm901291r | ||
| 46231926 | 200556 | 0 | None | -12 | 4 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 446 | 4 | 1 | 4 | 5.5 | CN1CCc2cc(Cl)c(O)cc2[C@H]2c3cccc(/C=N/OCc4ccccc4)c3CC[C@@H]21 | 10.1016/j.bmcl.2009.12.094 | ||
| CHEMBL599135 | 200556 | 0 | None | -12 | 4 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 446 | 4 | 1 | 4 | 5.5 | CN1CCc2cc(Cl)c(O)cc2[C@H]2c3cccc(/C=N/OCc4ccccc4)c3CC[C@@H]21 | 10.1016/j.bmcl.2009.12.094 | ||
| 3036864 | 202731 | 19 | None | -3 | 28 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 287 | 1 | 1 | 2 | 3.7 | CN1CCc2cc(Cl)c(O)cc2[C@@H](c2ccccc2)C1 | 10.1016/j.bmcl.2009.12.100 | ||
| CHEMBL1256645 | 202731 | 19 | None | -3 | 28 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 287 | 1 | 1 | 2 | 3.7 | CN1CCc2cc(Cl)c(O)cc2[C@@H](c2ccccc2)C1 | 10.1016/j.bmcl.2009.12.100 | ||
| CHEMBL1814790 | 202731 | 19 | None | -3 | 28 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 287 | 1 | 1 | 2 | 3.7 | CN1CCc2cc(Cl)c(O)cc2[C@@H](c2ccccc2)C1 | 10.1016/j.bmcl.2009.12.100 | ||
| CHEMBL62 | 202731 | 19 | None | -3 | 28 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 287 | 1 | 1 | 2 | 3.7 | CN1CCc2cc(Cl)c(O)cc2[C@@H](c2ccccc2)C1 | 10.1016/j.bmcl.2009.12.100 | ||
| 11416809 | 12772 | 0 | None | - | 1 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 313 | 5 | 0 | 2 | 4.2 | CCCN(C)[C@@H]1Cc2cc(F)c(OC)cc2[C@H]1c1ccccc1 | 10.1021/jm040889k | ||
| CHEMBL1188198 | 12772 | 0 | None | - | 1 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 313 | 5 | 0 | 2 | 4.2 | CCCN(C)[C@@H]1Cc2cc(F)c(OC)cc2[C@H]1c1ccccc1 | 10.1021/jm040889k | ||
| CHEMBL535602 | 12772 | 0 | None | - | 1 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 313 | 5 | 0 | 2 | 4.2 | CCCN(C)[C@@H]1Cc2cc(F)c(OC)cc2[C@H]1c1ccccc1 | 10.1021/jm040889k | ||
| 23653176 | 91174 | 0 | None | 4 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 383 | 6 | 0 | 3 | 3.8 | O=C1Cc2ccccc2N1CCCCN1CCN(c2ccc(Cl)cc2)CC1 | 10.1016/j.bmc.2007.06.002 | ||
| CHEMBL239917 | 91174 | 0 | None | 4 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 383 | 6 | 0 | 3 | 3.8 | O=C1Cc2ccccc2N1CCCCN1CCN(c2ccc(Cl)cc2)CC1 | 10.1016/j.bmc.2007.06.002 | ||
| 763625 | 92119 | 7 | None | -19 | 2 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 276 | 3 | 0 | 3 | 3.2 | Fc1ccc(N2CCN(Cc3cccs3)CC2)cc1 | 10.1016/j.bmcl.2013.07.033 | ||
| CHEMBL2420775 | 92119 | 7 | None | -19 | 2 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 276 | 3 | 0 | 3 | 3.2 | Fc1ccc(N2CCN(Cc3cccs3)CC2)cc1 | 10.1016/j.bmcl.2013.07.033 | ||
| 1212 | 1649 | 50 | None | -28 | 66 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | 10.1016/j.bmcl.2008.09.012 | ||
| 204 | 1649 | 50 | None | -28 | 66 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | 10.1016/j.bmcl.2008.09.012 | ||
| 3372 | 1649 | 50 | None | -28 | 66 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | 10.1016/j.bmcl.2008.09.012 | ||
| CHEMBL726 | 1649 | 50 | None | -28 | 66 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | 10.1016/j.bmcl.2008.09.012 | ||
| DB00623 | 1649 | 50 | None | -28 | 66 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | 10.1016/j.bmcl.2008.09.012 | ||
| 164615845 | 185166 | 0 | None | -2 | 6 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 389 | 2 | 1 | 4 | 3.7 | O=C(O)c1ccc(C#Cc2ccc3c(c2)C=C([N+](=O)[O-])C(C(F)(F)F)O3)cc1 | 10.1016/j.bmcl.2021.128008 | ||
| CHEMBL4857492 | 185166 | 0 | None | -2 | 6 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 389 | 2 | 1 | 4 | 3.7 | O=C(O)c1ccc(C#Cc2ccc3c(c2)C=C([N+](=O)[O-])C(C(F)(F)F)O3)cc1 | 10.1016/j.bmcl.2021.128008 | ||
| 164623060 | 186146 | 0 | None | - | 1 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 325 | 1 | 0 | 3 | 4.0 | CC(C)(C)C#Cc1ccc2c(c1)C=C([N+](=O)[O-])C(C(F)(F)F)O2 | 10.1016/j.bmcl.2021.128008 | ||
| CHEMBL4872572 | 186146 | 0 | None | - | 1 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 325 | 1 | 0 | 3 | 4.0 | CC(C)(C)C#Cc1ccc2c(c1)C=C([N+](=O)[O-])C(C(F)(F)F)O2 | 10.1016/j.bmcl.2021.128008 | ||
| 122177644 | 121186 | 0 | None | -17378 | 6 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 591 | 18 | 2 | 8 | 5.6 | CCCCn1cc(CCCOc2ccc(C(=O)NCCCCN(CCC)[C@@H]3CCc4c(O)cccc4C3)cc2OC)nn1 | 10.1021/jm501889t | ||
| CHEMBL3577345 | 121186 | 0 | None | -17378 | 6 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 591 | 18 | 2 | 8 | 5.6 | CCCCn1cc(CCCOc2ccc(C(=O)NCCCCN(CCC)[C@@H]3CCc4c(O)cccc4C3)cc2OC)nn1 | 10.1021/jm501889t | ||
| 154725234 | 176268 | 1 | None | -3 | 5 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 472 | 12 | 0 | 6 | 5.2 | CN(CCCSc1nnc(-c2ccccc2)n1C)CC1CC1c1cc(F)ccc1OCCF | 10.1021/acs.jmedchem.9b01835 | ||
| CHEMBL4585289 | 176268 | 1 | None | -3 | 5 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 472 | 12 | 0 | 6 | 5.2 | CN(CCCSc1nnc(-c2ccccc2)n1C)CC1CC1c1cc(F)ccc1OCCF | 10.1021/acs.jmedchem.9b01835 | ||
| CHEMBL4595149 | 176268 | 1 | None | -3 | 5 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 472 | 12 | 0 | 6 | 5.2 | CN(CCCSc1nnc(-c2ccccc2)n1C)CC1CC1c1cc(F)ccc1OCCF | 10.1021/acs.jmedchem.9b01835 | ||
| 90644062 | 112007 | 0 | None | -104 | 5 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 345 | 6 | 0 | 4 | 3.8 | Cc1ccc(N2CCN(CCCSc3ccc(F)cc3)CC2)nc1 | 10.1016/j.bmc.2014.04.026 | ||
| CHEMBL3289647 | 112007 | 0 | None | -104 | 5 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 345 | 6 | 0 | 4 | 3.8 | Cc1ccc(N2CCN(CCCSc3ccc(F)cc3)CC2)nc1 | 10.1016/j.bmc.2014.04.026 | ||
| 46231924 | 200555 | 0 | None | -5 | 4 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 370 | 2 | 1 | 4 | 4.0 | CO/N=C/c1cccc2c1CC[C@H]1[C@H]2c2cc(O)c(Cl)cc2CCN1C | 10.1016/j.bmcl.2009.12.094 | ||
| CHEMBL599134 | 200555 | 0 | None | -5 | 4 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 370 | 2 | 1 | 4 | 4.0 | CO/N=C/c1cccc2c1CC[C@H]1[C@H]2c2cc(O)c(Cl)cc2CCN1C | 10.1016/j.bmcl.2009.12.094 | ||
| 154705128 | 176267 | 1 | None | -151 | 6 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 462 | 12 | 1 | 3 | 6.0 | CCCN(CCCCNC(=O)c1ccc2ccccc2c1)CC1CC1c1cc(F)ccc1OC | 10.1021/acs.jmedchem.9b01835 | ||
| CHEMBL4454872 | 176267 | 1 | None | -151 | 6 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 462 | 12 | 1 | 3 | 6.0 | CCCN(CCCCNC(=O)c1ccc2ccccc2c1)CC1CC1c1cc(F)ccc1OC | 10.1021/acs.jmedchem.9b01835 | ||
| CHEMBL4595148 | 176267 | 1 | None | -151 | 6 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 462 | 12 | 1 | 3 | 6.0 | CCCN(CCCCNC(=O)c1ccc2ccccc2c1)CC1CC1c1cc(F)ccc1OC | 10.1021/acs.jmedchem.9b01835 | ||
| 156020558 | 178022 | 0 | None | -3 | 2 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 347 | 1 | 2 | 3 | 3.5 | CN1CCc2cc(O)c(O)cc2C(c2ccccc2Br)C1 | 10.1016/j.bmcl.2020.127305 | ||
| CHEMBL4647167 | 178022 | 0 | None | -3 | 2 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 347 | 1 | 2 | 3 | 3.5 | CN1CCc2cc(O)c(O)cc2C(c2ccccc2Br)C1 | 10.1016/j.bmcl.2020.127305 | ||
| 11558247 | 75393 | 0 | None | -6 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 282 | 0 | 2 | 3 | 2.6 | CN1CCc2ccccc2Cc2cc(N)c(O)cc2CC1 | 10.1021/jm051237e | ||
| CHEMBL204098 | 75393 | 0 | None | -6 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 282 | 0 | 2 | 3 | 2.6 | CN1CCc2ccccc2Cc2cc(N)c(O)cc2CC1 | 10.1021/jm051237e | ||
| 145969667 | 164941 | 0 | None | -41 | 6 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 289 | 9 | 1 | 2 | 4.9 | CCCCCCCCCN1CCC(c2cccc(O)c2)C1 | 10.1016/j.bmcl.2018.03.084 | ||
| CHEMBL4225278 | 164941 | 0 | None | -41 | 6 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 289 | 9 | 1 | 2 | 4.9 | CCCCCCCCCN1CCC(c2cccc(O)c2)C1 | 10.1016/j.bmcl.2018.03.084 | ||
| 44436301 | 90603 | 0 | None | -6 | 4 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 433 | 6 | 0 | 5 | 3.1 | O=C1c2ccccc2S(=O)(=O)N1CCCCN1CCN(c2ccc(Cl)cc2)CC1 | 10.1016/j.bmcl.2021.128028 | ||
| CHEMBL238915 | 90603 | 0 | None | -6 | 4 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 433 | 6 | 0 | 5 | 3.1 | O=C1c2ccccc2S(=O)(=O)N1CCCCN1CCN(c2ccc(Cl)cc2)CC1 | 10.1016/j.bmcl.2021.128028 | ||
| 44436301 | 90603 | 0 | None | -6 | 4 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 433 | 6 | 0 | 5 | 3.1 | O=C1c2ccccc2S(=O)(=O)N1CCCCN1CCN(c2ccc(Cl)cc2)CC1 | 10.1016/j.bmc.2007.06.002 | ||
| CHEMBL238915 | 90603 | 0 | None | -6 | 4 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 433 | 6 | 0 | 5 | 3.1 | O=C1c2ccccc2S(=O)(=O)N1CCCCN1CCN(c2ccc(Cl)cc2)CC1 | 10.1016/j.bmc.2007.06.002 | ||
| 135398737 | 955 | 93 | None | -89 | 92 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 10.1039/C5MD00258C | ||
| 38 | 955 | 93 | None | -89 | 92 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 10.1039/C5MD00258C | ||
| 722 | 955 | 93 | None | -89 | 92 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 10.1039/C5MD00258C | ||
| CHEMBL42 | 955 | 93 | None | -89 | 92 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 10.1039/C5MD00258C | ||
| DB00363 | 955 | 93 | None | -89 | 92 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 10.1039/C5MD00258C | ||
| 44209472 | 70143 | 2 | None | -1318 | 11 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 315 | 6 | 0 | 4 | 2.8 | Fc1ccc(OCCCN2CCN(c3ccccn3)CC2)cc1 | 10.1016/j.bmc.2014.04.026 | ||
| CHEMBL1940420 | 70143 | 2 | None | -1318 | 11 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 315 | 6 | 0 | 4 | 2.8 | Fc1ccc(OCCCN2CCN(c3ccccn3)CC2)cc1 | 10.1016/j.bmc.2014.04.026 | ||
| 181743 | 178548 | 5 | None | -1202 | 22 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 339 | 2 | 0 | 5 | 3.2 | COc1cc2c3c(c1OC)-c1cc4c(cc1CC3N(C)CC2)OCO4 | 10.1016/j.bmcl.2009.11.053 | ||
| CHEMBL467094 | 178548 | 5 | None | -1202 | 22 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 339 | 2 | 0 | 5 | 3.2 | COc1cc2c3c(c1OC)-c1cc4c(cc1CC3N(C)CC2)OCO4 | 10.1016/j.bmcl.2009.11.053 | ||
| 122177641 | 121183 | 0 | None | -38018 | 6 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 551 | 18 | 1 | 8 | 4.6 | C#CC1=CC[C@@H](N(CCC)CCCCNC(=O)c2ccc(OCCCc3cn(CCCC)nn3)c(OC)c2)CO1 | 10.1021/jm501889t | ||
| CHEMBL3577342 | 121183 | 0 | None | -38018 | 6 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 551 | 18 | 1 | 8 | 4.6 | C#CC1=CC[C@@H](N(CCC)CCCCNC(=O)c2ccc(OCCCc3cn(CCCC)nn3)c(OC)c2)CO1 | 10.1021/jm501889t | ||
| 161665 | 172561 | 35 | None | -3 | 5 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 341 | 3 | 1 | 5 | 3.1 | COc1cc2c(cc1OC)[C@@H]1Cc3ccc(O)c(OC)c3CN1CC2 | 10.1016/j.bmcl.2017.01.090 | ||
| CHEMBL448891 | 172561 | 35 | None | -3 | 5 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 341 | 3 | 1 | 5 | 3.1 | COc1cc2c(cc1OC)[C@@H]1Cc3ccc(O)c(OC)c3CN1CC2 | 10.1016/j.bmcl.2017.01.090 | ||
| 681 | 1453 | 72 | None | -67 | 39 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 153 | 2 | 3 | 3 | 0.6 | NCCc1ccc(c(c1)O)O | 10.1021/jm040889k | ||
| 940 | 1453 | 72 | None | -67 | 39 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 153 | 2 | 3 | 3 | 0.6 | NCCc1ccc(c(c1)O)O | 10.1021/jm040889k | ||
| 947 | 1453 | 72 | None | -67 | 39 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 153 | 2 | 3 | 3 | 0.6 | NCCc1ccc(c(c1)O)O | 10.1021/jm040889k | ||
| CHEMBL59 | 1453 | 72 | None | -67 | 39 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 153 | 2 | 3 | 3 | 0.6 | NCCc1ccc(c(c1)O)O | 10.1021/jm040889k | ||
| DB00988 | 1453 | 72 | None | -67 | 39 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 153 | 2 | 3 | 3 | 0.6 | NCCc1ccc(c(c1)O)O | 10.1021/jm040889k | ||
| 6852376 | 91570 | 13 | None | 3 | 5 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 255 | 1 | 3 | 3 | 2.4 | Oc1cc2c(cc1O)[C@@H](c1ccccc1)CNCC2 | 10.1016/j.bmcl.2013.12.024 | ||
| CHEMBL1467585 | 91570 | 13 | None | 3 | 5 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 255 | 1 | 3 | 3 | 2.4 | Oc1cc2c(cc1O)[C@@H](c1ccccc1)CNCC2 | 10.1016/j.bmcl.2013.12.024 | ||
| CHEMBL24077 | 91570 | 13 | None | 3 | 5 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 255 | 1 | 3 | 3 | 2.4 | Oc1cc2c(cc1O)[C@@H](c1ccccc1)CNCC2 | 10.1016/j.bmcl.2013.12.024 | ||
| CHEMBL503958 | 91570 | 13 | None | 3 | 5 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 255 | 1 | 3 | 3 | 2.4 | Oc1cc2c(cc1O)[C@@H](c1ccccc1)CNCC2 | 10.1016/j.bmcl.2013.12.024 | ||
| 76325152 | 106344 | 0 | None | -251 | 5 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 359 | 9 | 2 | 4 | 4.0 | Oc1ccc2c(c1)O[C@@H](CNCc1ccc(OCCCCF)cc1)CC2 | 10.1021/jm401384w | ||
| CHEMBL3115579 | 106344 | 0 | None | -251 | 5 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 359 | 9 | 2 | 4 | 4.0 | Oc1ccc2c(c1)O[C@@H](CNCc1ccc(OCCCCF)cc1)CC2 | 10.1021/jm401384w | ||
| CHEMBL3139262 | 106344 | 0 | None | -251 | 5 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 359 | 9 | 2 | 4 | 4.0 | Oc1ccc2c(c1)O[C@@H](CNCc1ccc(OCCCCF)cc1)CC2 | 10.1021/jm401384w | ||
| 6852376 | 91570 | 13 | None | 3 | 5 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 255 | 1 | 3 | 3 | 2.4 | Oc1cc2c(cc1O)[C@@H](c1ccccc1)CNCC2 | 10.1016/j.bmcl.2013.12.024 | ||
| CHEMBL1467585 | 91570 | 13 | None | 3 | 5 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 255 | 1 | 3 | 3 | 2.4 | Oc1cc2c(cc1O)[C@@H](c1ccccc1)CNCC2 | 10.1016/j.bmcl.2013.12.024 | ||
| CHEMBL24077 | 91570 | 13 | None | 3 | 5 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 255 | 1 | 3 | 3 | 2.4 | Oc1cc2c(cc1O)[C@@H](c1ccccc1)CNCC2 | 10.1016/j.bmcl.2013.12.024 | ||
| CHEMBL503958 | 91570 | 13 | None | 3 | 5 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 255 | 1 | 3 | 3 | 2.4 | Oc1cc2c(cc1O)[C@@H](c1ccccc1)CNCC2 | 10.1016/j.bmcl.2013.12.024 | ||
| 156015018 | 177547 | 0 | None | 2 | 2 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 337 | 2 | 2 | 3 | 4.0 | COc1cc2c(cc1O)C(c1c(Cl)cccc1Cl)CNCC2 | 10.1016/j.bmcl.2020.127305 | ||
| CHEMBL4640497 | 177547 | 0 | None | 2 | 2 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 337 | 2 | 2 | 3 | 4.0 | COc1cc2c(cc1O)C(c1c(Cl)cccc1Cl)CNCC2 | 10.1016/j.bmcl.2020.127305 | ||
| 122177643 | 121185 | 0 | None | -15848 | 6 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 632 | 20 | 3 | 9 | 5.1 | CCCCn1cc(CCCOc2ccc(C(=O)NCCCCN(CCC)CCc3ccc(O)c4[nH]c(=O)ccc34)cc2OC)nn1 | 10.1021/jm501889t | ||
| CHEMBL3577344 | 121185 | 0 | None | -15848 | 6 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 632 | 20 | 3 | 9 | 5.1 | CCCCn1cc(CCCOc2ccc(C(=O)NCCCCN(CCC)CCc3ccc(O)c4[nH]c(=O)ccc34)cc2OC)nn1 | 10.1021/jm501889t | ||
| 90644061 | 112006 | 0 | None | -2344 | 5 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 329 | 6 | 0 | 4 | 3.1 | Cc1ccc(N2CCN(CCCOc3ccc(F)cc3)CC2)nc1 | 10.1016/j.bmc.2014.04.026 | ||
| CHEMBL3289646 | 112006 | 0 | None | -2344 | 5 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 329 | 6 | 0 | 4 | 3.1 | Cc1ccc(N2CCN(CCCOc3ccc(F)cc3)CC2)nc1 | 10.1016/j.bmc.2014.04.026 | ||
| 90644061 | 112006 | 0 | None | -2344 | 5 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 329 | 6 | 0 | 4 | 3.1 | Cc1ccc(N2CCN(CCCOc3ccc(F)cc3)CC2)nc1 | 10.1016/j.bmc.2014.04.026 | ||
| CHEMBL3289646 | 112006 | 0 | None | -2344 | 5 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 329 | 6 | 0 | 4 | 3.1 | Cc1ccc(N2CCN(CCCOc3ccc(F)cc3)CC2)nc1 | 10.1016/j.bmc.2014.04.026 | ||
| 11223708 | 166285 | 0 | None | -16 | 3 | Rat | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 413 | 6 | 1 | 3 | 4.5 | O=C(NCCCCN1CCN2c3ccccc3CC[C@H]2C1)c1ccc2ccccc2c1 | 10.1021/jm049031l | ||
| CHEMBL427173 | 166285 | 0 | None | -16 | 3 | Rat | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 413 | 6 | 1 | 3 | 4.5 | O=C(NCCCCN1CCN2c3ccccc3CC[C@H]2C1)c1ccc2ccccc2c1 | 10.1021/jm049031l | ||
| 46231848 | 200515 | 0 | None | -8 | 4 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 396 | 1 | 1 | 3 | 4.1 | CN1CCc2cc(Cl)c(O)cc2[C@H]2c3cccc(N4CCCC4=O)c3CC[C@@H]21 | 10.1016/j.bmcl.2009.12.094 | ||
| CHEMBL598949 | 200515 | 0 | None | -8 | 4 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 396 | 1 | 1 | 3 | 4.1 | CN1CCc2cc(Cl)c(O)cc2[C@H]2c3cccc(N4CCCC4=O)c3CC[C@@H]21 | 10.1016/j.bmcl.2009.12.094 | ||
| 1353 | 1898 | 93 | None | -54 | 86 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | 10.1021/jm9601720 | ||
| 3559 | 1898 | 93 | None | -54 | 86 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | 10.1021/jm9601720 | ||
| 86 | 1898 | 93 | None | -54 | 86 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | 10.1021/jm9601720 | ||
| CHEMBL54 | 1898 | 93 | None | -54 | 86 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | 10.1021/jm9601720 | ||
| DB00502 | 1898 | 93 | None | -54 | 86 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | 10.1021/jm9601720 | ||
| 11246806 | 12975 | 0 | None | - | 1 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 327 | 6 | 1 | 2 | 4.7 | CCCN(CCC)[C@@H]1Cc2cc(F)c(O)cc2[C@H]1c1ccccc1 | 10.1021/jm040889k | ||
| CHEMBL1189734 | 12975 | 0 | None | - | 1 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 327 | 6 | 1 | 2 | 4.7 | CCCN(CCC)[C@@H]1Cc2cc(F)c(O)cc2[C@H]1c1ccccc1 | 10.1021/jm040889k | ||
| CHEMBL539334 | 12975 | 0 | None | - | 1 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 327 | 6 | 1 | 2 | 4.7 | CCCN(CCC)[C@@H]1Cc2cc(F)c(O)cc2[C@H]1c1ccccc1 | 10.1021/jm040889k | ||
| 11522476 | 74494 | 0 | None | -5 | 3 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 311 | 2 | 0 | 3 | 3.3 | COc1cc2c(cc1OC)Cc1ccccc1CCN(C)CC2 | 10.1021/jm050846j | ||
| CHEMBL202924 | 74494 | 0 | None | -5 | 3 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 311 | 2 | 0 | 3 | 3.3 | COc1cc2c(cc1OC)Cc1ccccc1CCN(C)CC2 | 10.1021/jm050846j | ||
| 156017805 | 177802 | 0 | None | -5 | 2 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 343 | 4 | 1 | 3 | 4.2 | C=CCN1CCc2cc(OC)c(O)cc2C(c2ccccc2Cl)C1 | 10.1016/j.bmcl.2020.127305 | ||
| CHEMBL4643886 | 177802 | 0 | None | -5 | 2 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 343 | 4 | 1 | 3 | 4.2 | C=CCN1CCc2cc(OC)c(O)cc2C(c2ccccc2Cl)C1 | 10.1016/j.bmcl.2020.127305 | ||
| 25212275 | 174397 | 0 | None | -6309 | 6 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 682 | 13 | 0 | 8 | 7.4 | O=C(OCCN1CCN(CCCN2c3ccccc3Sc3ccc(C(F)(F)F)cc32)CC1)c1ccc(OCCCN2CCCCC2)cc1 | 10.1016/j.bmcl.2008.09.012 | ||
| CHEMBL455288 | 174397 | 0 | None | -6309 | 6 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 682 | 13 | 0 | 8 | 7.4 | O=C(OCCN1CCN(CCCN2c3ccccc3Sc3ccc(C(F)(F)F)cc32)CC1)c1ccc(OCCCN2CCCCC2)cc1 | 10.1016/j.bmcl.2008.09.012 | ||
| 25212276 | 190042 | 0 | None | -741 | 6 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 508 | 11 | 0 | 3 | 7.4 | CN(CCCC12CCC(c3ccccc31)c1ccccc12)Cc1ccc(OCCCN2CCCCC2)cc1 | 10.1016/j.bmcl.2008.09.012 | ||
| CHEMBL517244 | 190042 | 0 | None | -741 | 6 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 508 | 11 | 0 | 3 | 7.4 | CN(CCCC12CCC(c3ccccc31)c1ccccc12)Cc1ccc(OCCCN2CCCCC2)cc1 | 10.1016/j.bmcl.2008.09.012 | ||
| 57391307 | 70134 | 0 | None | -389 | 7 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 348 | 6 | 0 | 3 | 4.1 | Fc1ccc(OCCCN2CCN(c3ccc(Cl)cc3)CC2)cc1 | 10.1016/j.bmc.2014.04.026 | ||
| CHEMBL1940411 | 70134 | 0 | None | -389 | 7 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 348 | 6 | 0 | 3 | 4.1 | Fc1ccc(OCCCN2CCN(c3ccc(Cl)cc3)CC2)cc1 | 10.1016/j.bmc.2014.04.026 | ||
| 146025727 | 171661 | 0 | None | 4 | 27 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 411 | 3 | 0 | 5 | 6.4 | FC(F)(F)c1cc(Oc2nccc3ccsc23)ccc1-c1cccc2nccn12 | 10.1021/acs.jmedchem.9b00351 | ||
| CHEMBL4466483 | 171661 | 0 | None | 4 | 27 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 411 | 3 | 0 | 5 | 6.4 | FC(F)(F)c1cc(Oc2nccc3ccsc23)ccc1-c1cccc2nccn12 | 10.1021/acs.jmedchem.9b00351 | ||
| 11316709 | 168346 | 0 | None | -323 | 3 | Rat | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 443 | 7 | 1 | 4 | 4.5 | COc1cccc2c1CC[C@@H]1CN(CCCCNC(=O)c3ccc4ccccc4c3)CCN21 | 10.1021/jm049031l | ||
| CHEMBL434532 | 168346 | 0 | None | -323 | 3 | Rat | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 443 | 7 | 1 | 4 | 4.5 | COc1cccc2c1CC[C@@H]1CN(CCCCNC(=O)c3ccc4ccccc4c3)CCN21 | 10.1021/jm049031l | ||
| 44591099 | 176166 | 0 | None | -1023 | 6 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 494 | 10 | 0 | 3 | 7.0 | CN(CCC=C1c2ccccc2CCc2ccccc21)Cc1ccc(OCCCN2CCCCC2)cc1 | 10.1016/j.bmcl.2008.09.012 | ||
| CHEMBL459350 | 176166 | 0 | None | -1023 | 6 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 494 | 10 | 0 | 3 | 7.0 | CN(CCC=C1c2ccccc2CCc2ccccc21)Cc1ccc(OCCCN2CCCCC2)cc1 | 10.1016/j.bmcl.2008.09.012 | ||
| 76325156 | 106363 | 1 | None | -12302 | 6 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 263 | 7 | 2 | 3 | 3.3 | CCCCCCNC[C@H]1CCc2ccc(O)cc2O1 | 10.1021/jm401384w | ||
| CHEMBL3115585 | 106363 | 1 | None | -12302 | 6 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 263 | 7 | 2 | 3 | 3.3 | CCCCCCNC[C@H]1CCc2ccc(O)cc2O1 | 10.1021/jm401384w | ||
| CHEMBL3139393 | 106363 | 1 | None | -12302 | 6 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 263 | 7 | 2 | 3 | 3.3 | CCCCCCNC[C@H]1CCc2ccc(O)cc2O1 | 10.1021/jm401384w | ||
| 76325156 | 106363 | 1 | None | -12302 | 6 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 263 | 7 | 2 | 3 | 3.3 | CCCCCCNC[C@H]1CCc2ccc(O)cc2O1 | 10.1021/jm401384w | ||
| CHEMBL3115585 | 106363 | 1 | None | -12302 | 6 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 263 | 7 | 2 | 3 | 3.3 | CCCCCCNC[C@H]1CCc2ccc(O)cc2O1 | 10.1021/jm401384w | ||
| CHEMBL3139393 | 106363 | 1 | None | -12302 | 6 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 263 | 7 | 2 | 3 | 3.3 | CCCCCCNC[C@H]1CCc2ccc(O)cc2O1 | 10.1021/jm401384w | ||
| CHEMBL5279730 | 194014 | 0 | None | -3 | 2 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 279 | 1 | 0 | 3 | 3.3 | O=[N+]([O-])C1=Cc2cc(Cl)ccc2OC1C(F)(F)F | 10.1016/j.bmcl.2022.128981 | ||
| 46869265 | 16225 | 0 | None | -13 | 7 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 295 | 1 | 3 | 3 | 3.1 | Oc1ccc2c(c1O)C[C@@H](c1ccccc1)[C@@H]1CCNC[C@@H]21 | 10.1016/j.bmc.2010.07.052 | ||
| CHEMBL1224527 | 16225 | 0 | None | -13 | 7 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 295 | 1 | 3 | 3 | 3.1 | Oc1ccc2c(c1O)C[C@@H](c1ccccc1)[C@@H]1CCNC[C@@H]21 | 10.1016/j.bmc.2010.07.052 | ||
| 122181326 | 121841 | 0 | None | -933 | 6 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 413 | 8 | 1 | 5 | 4.2 | COc1ccccc1N1CCN(CCCCNC(=O)/N=N/c2ccc(F)cc2)CC1 | 10.1016/j.bmc.2014.12.012 | ||
| CHEMBL3590077 | 121841 | 0 | None | -933 | 6 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 413 | 8 | 1 | 5 | 4.2 | COc1ccccc1N1CCN(CCCCNC(=O)/N=N/c2ccc(F)cc2)CC1 | 10.1016/j.bmc.2014.12.012 | ||
| 57401820 | 70132 | 0 | None | -323 | 7 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 364 | 6 | 0 | 3 | 4.8 | Fc1ccc(SCCCN2CCN(c3ccc(Cl)cc3)CC2)cc1 | 10.1016/j.bmc.2014.04.026 | ||
| CHEMBL1940409 | 70132 | 0 | None | -323 | 7 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 364 | 6 | 0 | 3 | 4.8 | Fc1ccc(SCCCN2CCN(c3ccc(Cl)cc3)CC2)cc1 | 10.1016/j.bmc.2014.04.026 | ||
| CHEMBL4566600 | 213991 | 0 | None | -1 | 6 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | None | None | None | Cc1c(C(=O)O)cc(-c2ccc(C3CCNCC3)cc2)c2ccc(-c3ccc(C(F)(F)F)cc3)cc12 | 10.6019/CHEMBL5212743 | ||||
| CHEMBL4745071 | 213991 | 0 | None | -1 | 6 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | None | None | None | Cc1c(C(=O)O)cc(-c2ccc(C3CCNCC3)cc2)c2ccc(-c3ccc(C(F)(F)F)cc3)cc12 | 10.6019/CHEMBL5212743 | ||||
| 145967572 | 164909 | 0 | None | -56 | 6 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 275 | 8 | 1 | 2 | 4.5 | CCCCCCCCN1CCC(c2cccc(O)c2)C1 | 10.1016/j.bmcl.2018.03.084 | ||
| CHEMBL4224763 | 164909 | 0 | None | -56 | 6 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 275 | 8 | 1 | 2 | 4.5 | CCCCCCCCN1CCC(c2cccc(O)c2)C1 | 10.1016/j.bmcl.2018.03.084 | ||
| 76325152 | 106344 | 0 | None | -251 | 5 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 359 | 9 | 2 | 4 | 4.0 | Oc1ccc2c(c1)O[C@@H](CNCc1ccc(OCCCCF)cc1)CC2 | 10.1021/jm401384w | ||
| CHEMBL3115579 | 106344 | 0 | None | -251 | 5 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 359 | 9 | 2 | 4 | 4.0 | Oc1ccc2c(c1)O[C@@H](CNCc1ccc(OCCCCF)cc1)CC2 | 10.1021/jm401384w | ||
| CHEMBL3139262 | 106344 | 0 | None | -251 | 5 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 359 | 9 | 2 | 4 | 4.0 | Oc1ccc2c(c1)O[C@@H](CNCc1ccc(OCCCCF)cc1)CC2 | 10.1021/jm401384w | ||
| 122181329 | 121844 | 0 | None | -9332 | 6 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 394 | 10 | 1 | 2 | 4.6 | CCCN(CCCCNC(=O)/C=C/c1ccc(F)cc1)C1Cc2ccccc2C1 | 10.1016/j.bmc.2014.12.012 | ||
| CHEMBL3590080 | 121844 | 0 | None | -9332 | 6 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 394 | 10 | 1 | 2 | 4.6 | CCCN(CCCCNC(=O)/C=C/c1ccc(F)cc1)C1Cc2ccccc2C1 | 10.1016/j.bmc.2014.12.012 | ||
| 44591135 | 190153 | 0 | None | -190 | 6 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 532 | 10 | 0 | 4 | 8.0 | CN(CC/C=C1\c2ccccc2Sc2ccc(Cl)cc21)Cc1ccc(OCCCN2CCCCC2)cc1 | 10.1016/j.bmcl.2008.09.012 | ||
| CHEMBL517407 | 190153 | 0 | None | -190 | 6 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 532 | 10 | 0 | 4 | 8.0 | CN(CC/C=C1\c2ccccc2Sc2ccc(Cl)cc21)Cc1ccc(OCCCN2CCCCC2)cc1 | 10.1016/j.bmcl.2008.09.012 | ||
| 122205437 | 137286 | 0 | None | 7 | 5 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 257 | 0 | 0 | 2 | 3.4 | CN1CCc2ccccc2Cc2sccc2CC1 | 10.1039/C5MD00258C | ||
| CHEMBL3752512 | 137286 | 0 | None | 7 | 5 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 257 | 0 | 0 | 2 | 3.4 | CN1CCc2ccccc2Cc2sccc2CC1 | 10.1039/C5MD00258C | ||
| 11486421 | 201171 | 0 | None | -2 | 3 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 400 | 2 | 2 | 4 | 4.5 | CCOC(=O)Nc1ccc2c(c1)CC[C@H]1[C@H]2c2cc(O)c(Cl)cc2CCN1C | 10.1016/j.bmcl.2009.12.100 | ||
| CHEMBL603485 | 201171 | 0 | None | -2 | 3 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 400 | 2 | 2 | 4 | 4.5 | CCOC(=O)Nc1ccc2c(c1)CC[C@H]1[C@H]2c2cc(O)c(Cl)cc2CCN1C | 10.1016/j.bmcl.2009.12.100 | ||
| 46231846 | 201316 | 0 | None | -1 | 4 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 341 | 1 | 1 | 3 | 3.8 | CN1CCc2cc(Cl)c(O)cc2[C@H]2c3cccc(C=O)c3CC[C@@H]21 | 10.1016/j.bmcl.2009.12.094 | ||
| CHEMBL604316 | 201316 | 0 | None | -1 | 4 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 341 | 1 | 1 | 3 | 3.8 | CN1CCc2cc(Cl)c(O)cc2[C@H]2c3cccc(C=O)c3CC[C@@H]21 | 10.1016/j.bmcl.2009.12.094 | ||
| 46231849 | 201395 | 0 | None | -2 | 4 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 356 | 1 | 2 | 4 | 3.8 | CN1CCc2cc(Cl)c(O)cc2[C@H]2c3cccc(/C=N/O)c3CC[C@@H]21 | 10.1016/j.bmcl.2009.12.094 | ||
| CHEMBL604732 | 201395 | 0 | None | -2 | 4 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 356 | 1 | 2 | 4 | 3.8 | CN1CCc2cc(Cl)c(O)cc2[C@H]2c3cccc(/C=N/O)c3CC[C@@H]21 | 10.1016/j.bmcl.2009.12.094 | ||
| 46231994 | 200385 | 0 | None | -5 | 4 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 414 | 1 | 1 | 3 | 5.5 | CN1CCc2cc(Cl)c(O)cc2[C@H]2c3cccc(-c4cccc(C#N)c4)c3CC[C@@H]21 | 10.1016/j.bmcl.2009.12.094 | ||
| CHEMBL598105 | 200385 | 0 | None | -5 | 4 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 414 | 1 | 1 | 3 | 5.5 | CN1CCc2cc(Cl)c(O)cc2[C@H]2c3cccc(-c4cccc(C#N)c4)c3CC[C@@H]21 | 10.1016/j.bmcl.2009.12.094 | ||
| 44439942 | 151841 | 0 | None | -4 | 4 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 320 | 1 | 1 | 2 | 3.8 | COc1ccc2[nH]c3c(c2c1)CCN(C)CCc1ccccc1C3 | 10.1016/j.bmcl.2006.11.093 | ||
| CHEMBL396560 | 151841 | 0 | None | -4 | 4 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 320 | 1 | 1 | 2 | 3.8 | COc1ccc2[nH]c3c(c2c1)CCN(C)CCc1ccccc1C3 | 10.1016/j.bmcl.2006.11.093 | ||
| 46231782 | 200480 | 0 | None | -1 | 4 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 371 | 1 | 1 | 4 | 3.8 | COC(=O)c1cccc2c1CC[C@H]1[C@H]2c2cc(O)c(Cl)cc2CCN1C | 10.1016/j.bmcl.2009.12.094 | ||
| CHEMBL598730 | 200480 | 0 | None | -1 | 4 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 371 | 1 | 1 | 4 | 3.8 | COC(=O)c1cccc2c1CC[C@H]1[C@H]2c2cc(O)c(Cl)cc2CCN1C | 10.1016/j.bmcl.2009.12.094 | ||
| 46231541 | 200165 | 0 | None | -4 | 3 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 370 | 4 | 2 | 3 | 4.3 | CN1CCc2cc(Cl)c(O)cc2[C@@H](c2ccc(CNC3CCC3)cc2)C1 | 10.1016/j.bmcl.2009.12.100 | ||
| CHEMBL596622 | 200165 | 0 | None | -4 | 3 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 370 | 4 | 2 | 3 | 4.3 | CN1CCc2cc(Cl)c(O)cc2[C@@H](c2ccc(CNC3CCC3)cc2)C1 | 10.1016/j.bmcl.2009.12.100 | ||
| 1243 | 3591 | 34 | None | -3 | 5 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 331 | 1 | 1 | 2 | 3.8 | CN1CCc2c(C(C1)c1ccccc1)cc(c(c2)Br)O | 10.1016/j.bmcl.2020.127305 | ||
| 944 | 3591 | 34 | None | -3 | 5 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 331 | 1 | 1 | 2 | 3.8 | CN1CCc2c(C(C1)c1ccccc1)cc(c(c2)Br)O | 10.1016/j.bmcl.2020.127305 | ||
| CHEMBL324017 | 3591 | 34 | None | -3 | 5 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 331 | 1 | 1 | 2 | 3.8 | CN1CCc2c(C(C1)c1ccccc1)cc(c(c2)Br)O | 10.1016/j.bmcl.2020.127305 | ||
| 164609519 | 184427 | 0 | None | -251 | 5 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 441 | 7 | 1 | 5 | 4.1 | COc1cc2c(cc1OC)CN(Cc1ccccc1CNC(=O)c1cccc(C#N)c1)CC2 | 10.1016/j.bmcl.2021.128047 | ||
| CHEMBL4846574 | 184427 | 0 | None | -251 | 5 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 441 | 7 | 1 | 5 | 4.1 | COc1cc2c(cc1OC)CN(Cc1ccccc1CNC(=O)c1cccc(C#N)c1)CC2 | 10.1016/j.bmcl.2021.128047 | ||
| 137646281 | 157782 | 0 | None | -6918 | 17 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 423 | 8 | 0 | 7 | 3.8 | COc1ccccc1N1CCN(CCCSc2nnc(-c3ccccc3)n2C)CC1 | 10.1021/acs.jmedchem.9b00412 | ||
| CHEMBL4083252 | 157782 | 0 | None | -6918 | 17 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 423 | 8 | 0 | 7 | 3.8 | COc1ccccc1N1CCN(CCCSc2nnc(-c3ccccc3)n2C)CC1 | 10.1021/acs.jmedchem.9b00412 | ||
| 72301 | 186094 | 76 | None | -1 | 4 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 355 | 4 | 0 | 5 | 3.4 | COc1cc2c(cc1OC)[C@@H]1Cc3ccc(OC)c(OC)c3CN1CC2 | 10.1016/j.bmcl.2017.01.090 | ||
| CHEMBL487182 | 186094 | 76 | None | -1 | 4 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 355 | 4 | 0 | 5 | 3.4 | COc1cc2c(cc1OC)[C@@H]1Cc3ccc(OC)c(OC)c3CN1CC2 | 10.1016/j.bmcl.2017.01.090 | ||
| 10801923 | 177740 | 0 | None | -2 | 2 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 269 | 2 | 2 | 3 | 2.7 | COc1cc2c(cc1O)C(c1ccccc1)CNCC2 | 10.1016/j.bmcl.2020.127305 | ||
| CHEMBL4642805 | 177740 | 0 | None | -2 | 2 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 269 | 2 | 2 | 3 | 2.7 | COc1cc2c(cc1O)C(c1ccccc1)CNCC2 | 10.1016/j.bmcl.2020.127305 | ||
| 44415690 | 80108 | 0 | None | -14 | 6 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 473 | 2 | 1 | 5 | 5.1 | Cc1cccc(C)c1C(=O)NN1c2ccc(Cl)cc2N=C(N2CCN(C)CC2)c2ccccc21 | 10.1016/j.bmcl.2006.06.022 | ||
| CHEMBL213336 | 80108 | 0 | None | -14 | 6 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 473 | 2 | 1 | 5 | 5.1 | Cc1cccc(C)c1C(=O)NN1c2ccc(Cl)cc2N=C(N2CCN(C)CC2)c2ccccc21 | 10.1016/j.bmcl.2006.06.022 | ||
| 44439944 | 151845 | 0 | None | -1 | 4 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 320 | 1 | 1 | 2 | 3.8 | COc1ccc2c(c1)CCN(C)CCc1c([nH]c3ccccc13)C2 | 10.1016/j.bmcl.2006.11.093 | ||
| CHEMBL396561 | 151845 | 0 | None | -1 | 4 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 320 | 1 | 1 | 2 | 3.8 | COc1ccc2c(c1)CCN(C)CCc1c([nH]c3ccccc13)C2 | 10.1016/j.bmcl.2006.11.093 | ||
| 145968810 | 165014 | 0 | None | -33 | 6 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 381 | 8 | 2 | 4 | 3.5 | CN(C)c1ccc(C(=O)NCCCCN2CCC(c3cccc(O)c3)C2)cc1 | 10.1016/j.bmcl.2018.03.084 | ||
| CHEMBL4226226 | 165014 | 0 | None | -33 | 6 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 381 | 8 | 2 | 4 | 3.5 | CN(C)c1ccc(C(=O)NCCCCN2CCC(c3cccc(O)c3)C2)cc1 | 10.1016/j.bmcl.2018.03.084 | ||
| 42626293 | 151101 | 0 | None | -4 | 5 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 349 | 6 | 0 | 3 | 3.2 | O=C1Cc2ccccc2N1CCCCN1CCN(c2ccccc2)CC1 | 10.1016/j.bmc.2007.06.002 | ||
| CHEMBL395933 | 151101 | 0 | None | -4 | 5 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 349 | 6 | 0 | 3 | 3.2 | O=C1Cc2ccccc2N1CCCCN1CCN(c2ccccc2)CC1 | 10.1016/j.bmc.2007.06.002 | ||
| 11186895 | 87478 | 25 | None | -7 | 4 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 341 | 3 | 1 | 5 | 3.1 | COc1cc2c(cc1O)CCN1Cc3c(ccc(OC)c3OC)C[C@@H]21 | 10.1016/j.bmcl.2017.01.090 | ||
| CHEMBL2334885 | 87478 | 25 | None | -7 | 4 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 341 | 3 | 1 | 5 | 3.1 | COc1cc2c(cc1O)CCN1Cc3c(ccc(OC)c3OC)C[C@@H]21 | 10.1016/j.bmcl.2017.01.090 | ||
| 17755991 | 152274 | 0 | None | -1 | 5 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 267 | 0 | 2 | 2 | 3.1 | Oc1ccc2c(c1)CCCNCCc1ccccc1C2 | 10.1021/jm070388+ | ||
| CHEMBL396950 | 152274 | 0 | None | -1 | 5 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 267 | 0 | 2 | 2 | 3.1 | Oc1ccc2c(c1)CCCNCCc1ccccc1C2 | 10.1021/jm070388+ | ||
| 90644063 | 112008 | 0 | None | -138 | 10 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 327 | 6 | 0 | 3 | 3.7 | Cc1ccc(N2CCN(CCCCc3ccc(F)cc3)CC2)nc1 | 10.1016/j.bmc.2014.04.026 | ||
| CHEMBL3289648 | 112008 | 0 | None | -138 | 10 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 327 | 6 | 0 | 3 | 3.7 | Cc1ccc(N2CCN(CCCCc3ccc(F)cc3)CC2)nc1 | 10.1016/j.bmc.2014.04.026 | ||
| 11394805 | 13955 | 0 | None | - | 1 | Human | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 341 | 7 | 0 | 2 | 5.0 | CCCN(CCC)[C@@H]1Cc2cc(F)c(OC)cc2[C@H]1c1ccccc1 | 10.1021/jm040889k | ||
| CHEMBL1196936 | 13955 | 0 | None | - | 1 | Human | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 341 | 7 | 0 | 2 | 5.0 | CCCN(CCC)[C@@H]1Cc2cc(F)c(OC)cc2[C@H]1c1ccccc1 | 10.1021/jm040889k | ||
| CHEMBL558766 | 13955 | 0 | None | - | 1 | Human | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 341 | 7 | 0 | 2 | 5.0 | CCCN(CCC)[C@@H]1Cc2cc(F)c(OC)cc2[C@H]1c1ccccc1 | 10.1021/jm040889k | ||
| 57401706 | 70142 | 0 | None | -562 | 11 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 331 | 6 | 0 | 4 | 3.5 | Fc1ccc(SCCCN2CCN(c3ccccn3)CC2)cc1 | 10.1016/j.bmc.2014.04.026 | ||
| CHEMBL1940419 | 70142 | 0 | None | -562 | 11 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 331 | 6 | 0 | 4 | 3.5 | Fc1ccc(SCCCN2CCN(c3ccccn3)CC2)cc1 | 10.1016/j.bmc.2014.04.026 | ||
| 90644063 | 112008 | 0 | None | -138 | 10 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 327 | 6 | 0 | 3 | 3.7 | Cc1ccc(N2CCN(CCCCc3ccc(F)cc3)CC2)nc1 | 10.1016/j.bmc.2014.04.026 | ||
| CHEMBL3289648 | 112008 | 0 | None | -138 | 10 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 327 | 6 | 0 | 3 | 3.7 | Cc1ccc(N2CCN(CCCCc3ccc(F)cc3)CC2)nc1 | 10.1016/j.bmc.2014.04.026 | ||
| 44436307 | 91729 | 0 | None | 19 | 3 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 383 | 6 | 0 | 3 | 3.9 | O=C1c2ccccc2CN1CCCCN1CCN(c2ccc(Cl)cc2)CC1 | 10.1016/j.bmc.2007.06.002 | ||
| CHEMBL240995 | 91729 | 0 | None | 19 | 3 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 383 | 6 | 0 | 3 | 3.9 | O=C1c2ccccc2CN1CCCCN1CCN(c2ccc(Cl)cc2)CC1 | 10.1016/j.bmc.2007.06.002 | ||
| 10667433 | 148774 | 0 | None | -10 | 4 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 379 | 7 | 0 | 4 | 3.2 | COc1ccccc1N1CCN(CCCCN2C(=O)Cc3ccccc32)CC1 | 10.1016/j.bmc.2007.06.002 | ||
| CHEMBL394080 | 148774 | 0 | None | -10 | 4 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 379 | 7 | 0 | 4 | 3.2 | COc1ccccc1N1CCN(CCCCN2C(=O)Cc3ccccc32)CC1 | 10.1016/j.bmc.2007.06.002 | ||
| 1621 | 2413 | 17 | None | -151 | 45 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 323 | 3 | 1 | 2 | 2.9 | CCN(C(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | 10.1021/jm020153s | ||
| 17 | 2413 | 17 | None | -151 | 45 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 323 | 3 | 1 | 2 | 2.9 | CCN(C(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | 10.1021/jm020153s | ||
| 5761 | 2413 | 17 | None | -151 | 45 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 323 | 3 | 1 | 2 | 2.9 | CCN(C(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | 10.1021/jm020153s | ||
| CHEMBL263881 | 2413 | 17 | None | -151 | 45 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 323 | 3 | 1 | 2 | 2.9 | CCN(C(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | 10.1021/jm020153s | ||
| DB04829 | 2413 | 17 | None | -151 | 45 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 323 | 3 | 1 | 2 | 2.9 | CCN(C(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | 10.1021/jm020153s | ||
| 155515982 | 169986 | 0 | None | -1348 | 17 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 473 | 10 | 2 | 5 | 4.1 | COc1ccccc1N1CCN(CCCNC(=O)NN(Cc2ccccc2)c2ccccc2)CC1 | 10.1021/acs.jmedchem.9b01085 | ||
| CHEMBL4442460 | 169986 | 0 | None | -1348 | 17 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 473 | 10 | 2 | 5 | 4.1 | COc1ccccc1N1CCN(CCCNC(=O)NN(Cc2ccccc2)c2ccccc2)CC1 | 10.1021/acs.jmedchem.9b01085 | ||
| 164626655 | 186569 | 0 | None | -100 | 5 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 441 | 7 | 1 | 5 | 4.1 | COc1cc2c(cc1OC)CN(Cc1ccccc1CNC(=O)c1ccc(C#N)cc1)CC2 | 10.1016/j.bmcl.2021.128047 | ||
| CHEMBL4878587 | 186569 | 0 | None | -100 | 5 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 441 | 7 | 1 | 5 | 4.1 | COc1cc2c(cc1OC)CN(Cc1ccccc1CNC(=O)c1ccc(C#N)cc1)CC2 | 10.1016/j.bmcl.2021.128047 | ||
| 137636498 | 156172 | 0 | None | -1479 | 6 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 446 | 7 | 2 | 6 | 3.8 | O=C1CCc2ccc(OCCCCN3CCN(c4ccc(O)c5ncccc45)CC3)cc2N1 | 10.1021/acs.jmedchem.7b00363 | ||
| CHEMBL4064186 | 156172 | 0 | None | -1479 | 6 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 446 | 7 | 2 | 6 | 3.8 | O=C1CCc2ccc(OCCCCN3CCN(c4ccc(O)c5ncccc45)CC3)cc2N1 | 10.1021/acs.jmedchem.7b00363 | ||
| 76321556 | 106350 | 0 | None | -363 | 5 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 493 | 6 | 2 | 5 | 3.1 | Oc1ccc2c(c1)O[C@@H](CNCCN1CCN(c3ccc(I)cc3)CC1)CC2 | 10.1021/jm401384w | ||
| CHEMBL3115578 | 106350 | 0 | None | -363 | 5 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 493 | 6 | 2 | 5 | 3.1 | Oc1ccc2c(c1)O[C@@H](CNCCN1CCN(c3ccc(I)cc3)CC1)CC2 | 10.1021/jm401384w | ||
| CHEMBL3139302 | 106350 | 0 | None | -363 | 5 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 493 | 6 | 2 | 5 | 3.1 | Oc1ccc2c(c1)O[C@@H](CNCCN1CCN(c3ccc(I)cc3)CC1)CC2 | 10.1021/jm401384w | ||
| 76321556 | 106350 | 0 | None | -363 | 5 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 493 | 6 | 2 | 5 | 3.1 | Oc1ccc2c(c1)O[C@@H](CNCCN1CCN(c3ccc(I)cc3)CC1)CC2 | 10.1021/jm401384w | ||
| CHEMBL3115578 | 106350 | 0 | None | -363 | 5 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 493 | 6 | 2 | 5 | 3.1 | Oc1ccc2c(c1)O[C@@H](CNCCN1CCN(c3ccc(I)cc3)CC1)CC2 | 10.1021/jm401384w | ||
| CHEMBL3139302 | 106350 | 0 | None | -363 | 5 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 493 | 6 | 2 | 5 | 3.1 | Oc1ccc2c(c1)O[C@@H](CNCCN1CCN(c3ccc(I)cc3)CC1)CC2 | 10.1021/jm401384w | ||
| 154703824 | 176602 | 1 | None | -1348 | 6 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 471 | 11 | 2 | 2 | 6.5 | CCCN(CCCCNC(=O)c1cc2ccccc2[nH]1)CC1CC1c1cccc(Cl)c1Cl | 10.1021/acs.jmedchem.9b01835 | ||
| CHEMBL4456007 | 176602 | 1 | None | -1348 | 6 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 471 | 11 | 2 | 2 | 6.5 | CCCN(CCCCNC(=O)c1cc2ccccc2[nH]1)CC1CC1c1cccc(Cl)c1Cl | 10.1021/acs.jmedchem.9b01835 | ||
| CHEMBL4597876 | 176602 | 1 | None | -1348 | 6 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 471 | 11 | 2 | 2 | 6.5 | CCCN(CCCCNC(=O)c1cc2ccccc2[nH]1)CC1CC1c1cccc(Cl)c1Cl | 10.1021/acs.jmedchem.9b01835 | ||
| 763774 | 92120 | 4 | None | -16 | 2 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 292 | 3 | 0 | 3 | 3.7 | Clc1ccc(N2CCN(Cc3cccs3)CC2)cc1 | 10.1016/j.bmcl.2013.07.033 | ||
| CHEMBL2420776 | 92120 | 4 | None | -16 | 2 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 292 | 3 | 0 | 3 | 3.7 | Clc1ccc(N2CCN(Cc3cccs3)CC2)cc1 | 10.1016/j.bmcl.2013.07.033 | ||
| 76321554 | 106376 | 0 | None | -2290 | 5 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 395 | 4 | 2 | 3 | 3.5 | Oc1ccc2c(c1)O[C@@H](CNCc1ccc(I)cc1)CC2 | 10.1021/jm401384w | ||
| CHEMBL3115574 | 106376 | 0 | None | -2290 | 5 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 395 | 4 | 2 | 3 | 3.5 | Oc1ccc2c(c1)O[C@@H](CNCc1ccc(I)cc1)CC2 | 10.1021/jm401384w | ||
| CHEMBL3139450 | 106376 | 0 | None | -2290 | 5 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 395 | 4 | 2 | 3 | 3.5 | Oc1ccc2c(c1)O[C@@H](CNCc1ccc(I)cc1)CC2 | 10.1021/jm401384w | ||
| 122191605 | 123694 | 0 | None | -181 | 5 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 426 | 7 | 2 | 3 | 4.2 | Brc1ccc(NCCN2CCN(CCc3c[nH]c4ccccc34)CC2)cc1 | 10.1021/acsmedchemlett.5b00131 | ||
| CHEMBL3622097 | 123694 | 0 | None | -181 | 5 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 426 | 7 | 2 | 3 | 4.2 | Brc1ccc(NCCN2CCN(CCc3c[nH]c4ccccc34)CC2)cc1 | 10.1021/acsmedchemlett.5b00131 | ||
| 9992499 | 73357 | 0 | None | -1 | 4 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 254 | 0 | 0 | 2 | 2.6 | CN1CCc2ccccc2Cc2ccn(C)c2CC1 | 10.1021/jm050846j | ||
| CHEMBL201483 | 73357 | 0 | None | -1 | 4 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 254 | 0 | 0 | 2 | 2.6 | CN1CCc2ccccc2Cc2ccn(C)c2CC1 | 10.1021/jm050846j | ||
| 2993172 | 127141 | 4 | None | -1 | 3 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 297 | 6 | 0 | 3 | 3.0 | c1ccc(Cc2ccccc2OCCN2CCOCC2)cc1 | 10.1021/jm049720x | ||
| CHEMBL365697 | 127141 | 4 | None | -1 | 3 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 297 | 6 | 0 | 3 | 3.0 | c1ccc(Cc2ccccc2OCCN2CCOCC2)cc1 | 10.1021/jm049720x | ||
| 10476504 | 33457 | 1 | None | -154 | 7 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 407 | 8 | 1 | 6 | 2.7 | COc1ccccc1N1CCN(CCCCNC(=O)c2cc3ccccn3n2)CC1 | 10.1016/j.bmc.2017.04.036 | ||
| CHEMBL142020 | 33457 | 1 | None | -154 | 7 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 407 | 8 | 1 | 6 | 2.7 | COc1ccccc1N1CCN(CCCCNC(=O)c2cc3ccccn3n2)CC1 | 10.1016/j.bmc.2017.04.036 | ||
| 10378389 | 203222 | 1 | None | -8128 | 7 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 269 | 4 | 2 | 3 | 2.9 | Oc1ccc2c(c1)O[C@@H](CNCc1ccccc1)CC2 | 10.1021/jm401384w | ||
| CHEMBL134807 | 203222 | 1 | None | -8128 | 7 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 269 | 4 | 2 | 3 | 2.9 | Oc1ccc2c(c1)O[C@@H](CNCc1ccccc1)CC2 | 10.1021/jm401384w | ||
| CHEMBL64553 | 203222 | 1 | None | -8128 | 7 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 269 | 4 | 2 | 3 | 2.9 | Oc1ccc2c(c1)O[C@@H](CNCc1ccccc1)CC2 | 10.1021/jm401384w | ||
| 76321554 | 106376 | 0 | None | -2290 | 5 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 395 | 4 | 2 | 3 | 3.5 | Oc1ccc2c(c1)O[C@@H](CNCc1ccc(I)cc1)CC2 | 10.1021/jm401384w | ||
| CHEMBL3115574 | 106376 | 0 | None | -2290 | 5 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 395 | 4 | 2 | 3 | 3.5 | Oc1ccc2c(c1)O[C@@H](CNCc1ccc(I)cc1)CC2 | 10.1021/jm401384w | ||
| CHEMBL3139450 | 106376 | 0 | None | -2290 | 5 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 395 | 4 | 2 | 3 | 3.5 | Oc1ccc2c(c1)O[C@@H](CNCc1ccc(I)cc1)CC2 | 10.1021/jm401384w | ||
| 44415569 | 165910 | 0 | None | -23 | 6 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 505 | 4 | 1 | 7 | 4.5 | COc1cccc(OC)c1C(=O)NN1c2ccc(Cl)cc2N=C(N2CCN(C)CC2)c2ccccc21 | 10.1016/j.bmcl.2006.06.022 | ||
| CHEMBL425069 | 165910 | 0 | None | -23 | 6 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 505 | 4 | 1 | 7 | 4.5 | COc1cccc(OC)c1C(=O)NN1c2ccc(Cl)cc2N=C(N2CCN(C)CC2)c2ccccc21 | 10.1016/j.bmcl.2006.06.022 | ||
| 75201901 | 166401 | 19 | None | 1 | 24 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 356 | 3 | 0 | 6 | 4.9 | Cc1cc(Oc2nccc3occc23)ccc1-c1c(C)ncc2nccn12 | 10.1021/acs.jmedchem.9b00351 | ||
| CHEMBL4277264 | 166401 | 19 | None | 1 | 24 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 356 | 3 | 0 | 6 | 4.9 | Cc1cc(Oc2nccc3occc23)ccc1-c1c(C)ncc2nccn12 | 10.1021/acs.jmedchem.9b00351 | ||
| 1353 | 1898 | 93 | None | -54 | 86 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | 10.1021/jm1013693 | ||
| 3559 | 1898 | 93 | None | -54 | 86 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | 10.1021/jm1013693 | ||
| 86 | 1898 | 93 | None | -54 | 86 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | 10.1021/jm1013693 | ||
| CHEMBL54 | 1898 | 93 | None | -54 | 86 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | 10.1021/jm1013693 | ||
| DB00502 | 1898 | 93 | None | -54 | 86 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | 10.1021/jm1013693 | ||
| 44408818 | 140140 | 1 | None | -12 | 6 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 281 | 1 | 0 | 2 | 3.3 | COc1ccc2c(c1)CCN(C)CCc1ccccc1C2 | 10.1016/j.bmcl.2006.11.093 | ||
| CHEMBL380330 | 140140 | 1 | None | -12 | 6 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 281 | 1 | 0 | 2 | 3.3 | COc1ccc2c(c1)CCN(C)CCc1ccccc1C2 | 10.1016/j.bmcl.2006.11.093 | ||
| 122180956 | 121745 | 0 | None | -380 | 6 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 404 | 7 | 1 | 3 | 4.8 | CCCN(CCNC(=O)/N=N/c1cc(F)c(F)c(F)c1)C1Cc2ccccc2C1 | 10.1016/j.bmc.2014.12.012 | ||
| CHEMBL3589577 | 121745 | 0 | None | -380 | 6 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 404 | 7 | 1 | 3 | 4.8 | CCCN(CCNC(=O)/N=N/c1cc(F)c(F)c(F)c1)C1Cc2ccccc2C1 | 10.1016/j.bmc.2014.12.012 | ||
| 137635364 | 156236 | 0 | None | -12302 | 6 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 439 | 10 | 1 | 6 | 3.0 | O=C(NCCCCN1CCN(c2ccccc2OCCF)CC1)c1cc2ccccn2n1 | 10.1016/j.bmc.2017.04.036 | ||
| CHEMBL4064974 | 156236 | 0 | None | -12302 | 6 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 439 | 10 | 1 | 6 | 3.0 | O=C(NCCCCN1CCN(c2ccccc2OCCF)CC1)c1cc2ccccn2n1 | 10.1016/j.bmc.2017.04.036 | ||
| CHEMBL4074669 | 156236 | 0 | None | -12302 | 6 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 439 | 10 | 1 | 6 | 3.0 | O=C(NCCCCN1CCN(c2ccccc2OCCF)CC1)c1cc2ccccn2n1 | 10.1016/j.bmc.2017.04.036 | ||
| 57393083 | 70138 | 0 | None | -616 | 7 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 314 | 6 | 0 | 4 | 2.8 | Fc1ccc(CCCCN2CCN(c3ncccn3)CC2)cc1 | 10.1016/j.bmc.2014.04.026 | ||
| CHEMBL1940415 | 70138 | 0 | None | -616 | 7 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 314 | 6 | 0 | 4 | 2.8 | Fc1ccc(CCCCN2CCN(c3ncccn3)CC2)cc1 | 10.1016/j.bmc.2014.04.026 | ||
| 10378389 | 203222 | 1 | None | -8128 | 7 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 269 | 4 | 2 | 3 | 2.9 | Oc1ccc2c(c1)O[C@@H](CNCc1ccccc1)CC2 | 10.1021/jm401384w | ||
| CHEMBL134807 | 203222 | 1 | None | -8128 | 7 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 269 | 4 | 2 | 3 | 2.9 | Oc1ccc2c(c1)O[C@@H](CNCc1ccccc1)CC2 | 10.1021/jm401384w | ||
| CHEMBL64553 | 203222 | 1 | None | -8128 | 7 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 269 | 4 | 2 | 3 | 2.9 | Oc1ccc2c(c1)O[C@@H](CNCc1ccccc1)CC2 | 10.1021/jm401384w | ||
| 56594533 | 70569 | 0 | None | 1 | 2 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 304 | 0 | 1 | 1 | 4.2 | C[C@@H]1Cc2c([nH]c3ccccc23)Cc2ccccc2CCN1C | 10.1021/jm200676f | ||
| CHEMBL1949726 | 70569 | 0 | None | 1 | 2 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 304 | 0 | 1 | 1 | 4.2 | C[C@@H]1Cc2c([nH]c3ccccc23)Cc2ccccc2CCN1C | 10.1021/jm200676f | ||
| 168269421 | 189938 | 0 | None | -26 | 3 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 390 | 5 | 1 | 2 | 5.3 | Fc1ccc(COC2CCN(Cc3cc4ccc(Cl)cc4[nH]3)CC2)cc1F | 10.1016/j.bmcl.2022.128615 | ||
| CHEMBL5170670 | 189938 | 0 | None | -26 | 3 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 390 | 5 | 1 | 2 | 5.3 | Fc1ccc(COC2CCN(Cc3cc4ccc(Cl)cc4[nH]3)CC2)cc1F | 10.1016/j.bmcl.2022.128615 | ||
| 6917970 | 3665 | 61 | None | 1 | 34 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 327 | 2 | 2 | 5 | 2.8 | COc1cc2CCN3[C@H](c2cc1O)Cc1c(C3)c(OC)c(cc1)O | 10.1016/j.bmc.2009.08.028 | ||
| 8370 | 3665 | 61 | None | 1 | 34 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 327 | 2 | 2 | 5 | 2.8 | COc1cc2CCN3[C@H](c2cc1O)Cc1c(C3)c(OC)c(cc1)O | 10.1016/j.bmc.2009.08.028 | ||
| CHEMBL487387 | 3665 | 61 | None | 1 | 34 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 327 | 2 | 2 | 5 | 2.8 | COc1cc2CCN3[C@H](c2cc1O)Cc1c(C3)c(OC)c(cc1)O | 10.1016/j.bmc.2009.08.028 | ||
| 56589560 | 70568 | 0 | None | 1 | 5 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 304 | 0 | 1 | 1 | 4.2 | C[C@H]1Cc2c([nH]c3ccccc23)Cc2ccccc2CCN1C | 10.1021/jm200676f | ||
| CHEMBL1949725 | 70568 | 0 | None | 1 | 5 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 304 | 0 | 1 | 1 | 4.2 | C[C@H]1Cc2c([nH]c3ccccc23)Cc2ccccc2CCN1C | 10.1021/jm200676f | ||
| 17756101 | 98556 | 1 | None | -1 | 6 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 295 | 1 | 0 | 2 | 3.7 | COc1ccc2c(c1)CCN(C)CCCc1ccccc1C2 | 10.1021/jm070388+ | ||
| CHEMBL276778 | 98556 | 1 | None | -1 | 6 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 295 | 1 | 0 | 2 | 3.7 | COc1ccc2c(c1)CCN(C)CCCc1ccccc1C2 | 10.1021/jm070388+ | ||
| 46231995 | 201511 | 0 | None | -7 | 4 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 434 | 2 | 1 | 4 | 5.6 | CN1CCc2cc(Cl)c(O)cc2[C@H]2c3cccc(-c4cccc([N+](=O)[O-])c4)c3CC[C@@H]21 | 10.1016/j.bmcl.2009.12.094 | ||
| CHEMBL605339 | 201511 | 0 | None | -7 | 4 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 434 | 2 | 1 | 4 | 5.6 | CN1CCc2cc(Cl)c(O)cc2[C@H]2c3cccc(-c4cccc([N+](=O)[O-])c4)c3CC[C@@H]21 | 10.1016/j.bmcl.2009.12.094 | ||
| 11573628 | 74670 | 0 | None | -1 | 4 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 301 | 0 | 1 | 2 | 3.7 | CN1CCc2ccccc2Cc2cc(O)c(Cl)cc2CC1 | 10.1021/jm051237e | ||
| CHEMBL203047 | 74670 | 0 | None | -1 | 4 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 301 | 0 | 1 | 2 | 3.7 | CN1CCc2ccccc2Cc2cc(O)c(Cl)cc2CC1 | 10.1021/jm051237e | ||
| 10472143 | 119251 | 0 | None | -891 | 16 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 335 | 1 | 1 | 2 | 3.0 | C[C@H]1C[C@H](C)N1C(=O)[C@@H]1C=C2c3cccc4[nH]cc(c34)CC2N(C)C1 | 10.1021/jm020153s | ||
| CHEMBL343755 | 119251 | 0 | None | -891 | 16 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 335 | 1 | 1 | 2 | 3.0 | C[C@H]1C[C@H](C)N1C(=O)[C@@H]1C=C2c3cccc4[nH]cc(c34)CC2N(C)C1 | 10.1021/jm020153s | ||
| 154703922 | 176265 | 1 | None | -1995 | 6 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 482 | 11 | 1 | 2 | 7.2 | CCCN(CCCCNC(=O)c1ccc2ccccc2c1)CC1CC1c1cccc(Cl)c1Cl | 10.1021/acs.jmedchem.9b01835 | ||
| CHEMBL4590211 | 176265 | 1 | None | -1995 | 6 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 482 | 11 | 1 | 2 | 7.2 | CCCN(CCCCNC(=O)c1ccc2ccccc2c1)CC1CC1c1cccc(Cl)c1Cl | 10.1021/acs.jmedchem.9b01835 | ||
| CHEMBL4595146 | 176265 | 1 | None | -1995 | 6 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 482 | 11 | 1 | 2 | 7.2 | CCCN(CCCCNC(=O)c1ccc2ccccc2c1)CC1CC1c1cccc(Cl)c1Cl | 10.1021/acs.jmedchem.9b01835 | ||
| 13373172 | 199760 | 0 | None | 3 | 5 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 251 | 0 | 1 | 2 | 3.0 | Oc1ccc2c(c1)CCN1Cc3ccccc3CC21 | 10.1016/j.bmc.2009.08.028 | ||
| CHEMBL593897 | 199760 | 0 | None | 3 | 5 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 251 | 0 | 1 | 2 | 3.0 | Oc1ccc2c(c1)CCN1Cc3ccccc3CC21 | 10.1016/j.bmc.2009.08.028 | ||
| 44414299 | 139200 | 0 | None | -19 | 2 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 495 | 9 | 0 | 4 | 6.6 | CCN(CC)CCCOc1cccc(N2C(=O)/C(=N/c3cccc(C(F)(F)F)c3)c3ccccc32)c1 | 10.1016/j.bmcl.2006.05.025 | ||
| CHEMBL378825 | 139200 | 0 | None | -19 | 2 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 495 | 9 | 0 | 4 | 6.6 | CCN(CC)CCCOc1cccc(N2C(=O)/C(=N/c3cccc(C(F)(F)F)c3)c3ccccc32)c1 | 10.1016/j.bmcl.2006.05.025 | ||
| 2402 | 3345 | 62 | None | -81 | 25 | Human | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 260 | 7 | 1 | 2 | 3.5 | CCCN(CCC)CCc1cccc2c1CC(=N2)O | 10.1039/C4MD00066H | ||
| 5095 | 3345 | 62 | None | -81 | 25 | Human | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 260 | 7 | 1 | 2 | 3.5 | CCCN(CCC)CCc1cccc2c1CC(=N2)O | 10.1039/C4MD00066H | ||
| 7295 | 3345 | 62 | None | -81 | 25 | Human | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 260 | 7 | 1 | 2 | 3.5 | CCCN(CCC)CCc1cccc2c1CC(=N2)O | 10.1039/C4MD00066H | ||
| CHEMBL589 | 3345 | 62 | None | -81 | 25 | Human | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 260 | 7 | 1 | 2 | 3.5 | CCCN(CCC)CCc1cccc2c1CC(=N2)O | 10.1039/C4MD00066H | ||
| DB00268 | 3345 | 62 | None | -81 | 25 | Human | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 260 | 7 | 1 | 2 | 3.5 | CCCN(CCC)CCc1cccc2c1CC(=N2)O | 10.1039/C4MD00066H | ||
| 7077 | 66929 | 27 | None | -4 | 5 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 255 | 6 | 0 | 2 | 3.2 | CN(C)CCOc1ccccc1Cc1ccccc1 | 10.1021/jm049720x | ||
| CHEMBL186720 | 66929 | 27 | None | -4 | 5 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 255 | 6 | 0 | 2 | 3.2 | CN(C)CCOc1ccccc1Cc1ccccc1 | 10.1021/jm049720x | ||
| CHEMBL3925724 | 66929 | 27 | None | -4 | 5 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 255 | 6 | 0 | 2 | 3.2 | CN(C)CCOc1ccccc1Cc1ccccc1 | 10.1021/jm049720x | ||
| 57403525 | 70125 | 0 | None | -275 | 10 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 361 | 6 | 1 | 2 | 4.8 | OC1(c2ccc(Cl)cc2)CCN(CCCCc2ccc(F)cc2)CC1 | 10.1016/j.bmcl.2014.07.018 | ||
| CHEMBL1940402 | 70125 | 0 | None | -275 | 10 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 361 | 6 | 1 | 2 | 4.8 | OC1(c2ccc(Cl)cc2)CCN(CCCCc2ccc(F)cc2)CC1 | 10.1016/j.bmcl.2014.07.018 | ||
| 156012196 | 177308 | 0 | None | -1 | 4 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 296 | 1 | 2 | 4 | 2.7 | COc1cc2c3c(c1O)-c1cc(N)ccc1CC3N(C)CC2 | 10.1016/j.bmcl.2020.127053 | ||
| CHEMBL4637246 | 177308 | 0 | None | -1 | 4 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 296 | 1 | 2 | 4 | 2.7 | COc1cc2c3c(c1O)-c1cc(N)ccc1CC3N(C)CC2 | 10.1016/j.bmcl.2020.127053 | ||
| 11716438 | 140857 | 1 | None | -8 | 4 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 267 | 0 | 1 | 2 | 3.0 | CN1CCc2ccccc2Cc2cc(O)ccc2CC1 | 10.1021/jm051237e | ||
| CHEMBL382010 | 140857 | 1 | None | -8 | 4 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 267 | 0 | 1 | 2 | 3.0 | CN1CCc2ccccc2Cc2cc(O)ccc2CC1 | 10.1021/jm051237e | ||
| 137640189 | 156929 | 0 | None | -5495 | 6 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 466 | 7 | 3 | 7 | 2.6 | O=C1CCc2ccc(OCCCCN3CCN(c4ccc(O)c5c4OCC(=O)N5)CC3)cc2N1 | 10.1021/acs.jmedchem.7b00363 | ||
| CHEMBL4072780 | 156929 | 0 | None | -5495 | 6 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 466 | 7 | 3 | 7 | 2.6 | O=C1CCc2ccc(OCCCCN3CCN(c4ccc(O)c5c4OCC(=O)N5)CC3)cc2N1 | 10.1021/acs.jmedchem.7b00363 | ||
| 164614469 | 184757 | 0 | None | 1 | 2 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 341 | 1 | 0 | 3 | 3.9 | C[Si](C)(C)C#Cc1ccc2c(c1)C=C([N+](=O)[O-])C(C(F)(F)F)O2 | 10.1016/j.bmcl.2021.128008 | ||
| CHEMBL4851349 | 184757 | 0 | None | 1 | 2 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 341 | 1 | 0 | 3 | 3.9 | C[Si](C)(C)C#Cc1ccc2c(c1)C=C([N+](=O)[O-])C(C(F)(F)F)O2 | 10.1016/j.bmcl.2021.128008 | ||
| 154726353 | 176299 | 1 | None | -371 | 6 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 467 | 12 | 2 | 3 | 5.9 | CCCN(CCCCNC(=O)c1cc2ccccc2[nH]1)CC1CC1c1cc(Cl)ccc1OC | 10.1021/acs.jmedchem.9b01835 | ||
| CHEMBL4577162 | 176299 | 1 | None | -371 | 6 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 467 | 12 | 2 | 3 | 5.9 | CCCN(CCCCNC(=O)c1cc2ccccc2[nH]1)CC1CC1c1cc(Cl)ccc1OC | 10.1021/acs.jmedchem.9b01835 | ||
| CHEMBL4595382 | 176299 | 1 | None | -371 | 6 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 467 | 12 | 2 | 3 | 5.9 | CCCN(CCCCNC(=O)c1cc2ccccc2[nH]1)CC1CC1c1cc(Cl)ccc1OC | 10.1021/acs.jmedchem.9b01835 | ||
| 4011 | 82379 | 49 | None | -57 | 24 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 277 | 4 | 1 | 1 | 4.2 | CNCCCC12CCC(c3ccccc31)c1ccccc12 | 10.1016/j.bmcl.2008.09.012 | ||
| CHEMBL21731 | 82379 | 49 | None | -57 | 24 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 277 | 4 | 1 | 1 | 4.2 | CNCCCC12CCC(c3ccccc31)c1ccccc12 | 10.1016/j.bmcl.2008.09.012 | ||
| 44396220 | 125397 | 1 | None | -1 | 6 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 295 | 6 | 0 | 2 | 4.1 | c1ccc(Cc2ccccc2OCCN2CCCCC2)cc1 | 10.1021/jm049720x | ||
| CHEMBL364565 | 125397 | 1 | None | -1 | 6 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 295 | 6 | 0 | 2 | 4.1 | c1ccc(Cc2ccccc2OCCN2CCCCC2)cc1 | 10.1021/jm049720x | ||
| 11212939 | 69131 | 0 | None | -45 | 3 | Rat | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 443 | 7 | 1 | 4 | 4.5 | COc1ccc2c(c1)N1CCN(CCCCNC(=O)c3ccc4ccccc4c3)C[C@@H]1CC2 | 10.1021/jm049031l | ||
| CHEMBL192439 | 69131 | 0 | None | -45 | 3 | Rat | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 443 | 7 | 1 | 4 | 4.5 | COc1ccc2c(c1)N1CCN(CCCCNC(=O)c3ccc4ccccc4c3)C[C@@H]1CC2 | 10.1021/jm049031l | ||
| 145988693 | 167142 | 0 | None | -17 | 17 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 524 | 7 | 1 | 3 | 7.1 | OC1(c2ccc(Cl)c(C(F)(F)F)c2)CCN(CCCN(c2ccc(F)cc2)c2ccc(F)cc2)CC1 | 10.1016/j.bmcl.2018.10.036 | ||
| CHEMBL4291048 | 167142 | 0 | None | -17 | 17 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 524 | 7 | 1 | 3 | 7.1 | OC1(c2ccc(Cl)c(C(F)(F)F)c2)CCN(CCCN(c2ccc(F)cc2)c2ccc(F)cc2)CC1 | 10.1016/j.bmcl.2018.10.036 | ||
| 145969934 | 165021 | 0 | None | -39 | 6 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 261 | 7 | 1 | 2 | 4.2 | CCCCCCCN1CCC(c2cccc(O)c2)C1 | 10.1016/j.bmcl.2018.03.084 | ||
| CHEMBL4226336 | 165021 | 0 | None | -39 | 6 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 261 | 7 | 1 | 2 | 4.2 | CCCCCCCN1CCC(c2cccc(O)c2)C1 | 10.1016/j.bmcl.2018.03.084 | ||
| 155770281 | 177723 | 0 | None | -5 | 9 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 517 | 4 | 1 | 2 | 7.6 | CC(=O)N1CCC(c2ccc(-c3cc(C(=O)O)cc4cc(-c5ccc(C(F)(F)F)cc5)ccc34)cc2)CC1 | 10.1021/acs.jmedchem.0c00745 | ||
| CHEMBL4642592 | 177723 | 0 | None | -5 | 9 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 517 | 4 | 1 | 2 | 7.6 | CC(=O)N1CCC(c2ccc(-c3cc(C(=O)O)cc4cc(-c5ccc(C(F)(F)F)cc5)ccc34)cc2)CC1 | 10.1021/acs.jmedchem.0c00745 | ||
| 156011597 | 177355 | 0 | None | -3 | 2 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 373 | 3 | 2 | 3 | 4.0 | C=CCN1CCc2cc(O)c(O)cc2C(c2ccccc2Br)C1 | 10.1016/j.bmcl.2020.127305 | ||
| CHEMBL4637938 | 177355 | 0 | None | -3 | 2 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 373 | 3 | 2 | 3 | 4.0 | C=CCN1CCc2cc(O)c(O)cc2C(c2ccccc2Br)C1 | 10.1016/j.bmcl.2020.127305 | ||
| 76325150 | 106395 | 0 | None | -4897 | 5 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 395 | 4 | 2 | 3 | 3.5 | Oc1ccc2c(c1)O[C@@H](CNCc1cccc(I)c1)CC2 | 10.1021/jm401384w | ||
| CHEMBL3115575 | 106395 | 0 | None | -4897 | 5 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 395 | 4 | 2 | 3 | 3.5 | Oc1ccc2c(c1)O[C@@H](CNCc1cccc(I)c1)CC2 | 10.1021/jm401384w | ||
| CHEMBL3139554 | 106395 | 0 | None | -4897 | 5 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 395 | 4 | 2 | 3 | 3.5 | Oc1ccc2c(c1)O[C@@H](CNCc1cccc(I)c1)CC2 | 10.1021/jm401384w | ||
| 156017431 | 177753 | 0 | None | -3 | 2 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 317 | 2 | 1 | 3 | 3.7 | COc1cc2c(cc1O)C(c1ccccc1Cl)CN(C)CC2 | 10.1016/j.bmcl.2020.127305 | ||
| CHEMBL4643069 | 177753 | 0 | None | -3 | 2 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 317 | 2 | 1 | 3 | 3.7 | COc1cc2c(cc1O)C(c1ccccc1Cl)CN(C)CC2 | 10.1016/j.bmcl.2020.127305 | ||
| 76325150 | 106395 | 0 | None | -4897 | 5 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 395 | 4 | 2 | 3 | 3.5 | Oc1ccc2c(c1)O[C@@H](CNCc1cccc(I)c1)CC2 | 10.1021/jm401384w | ||
| CHEMBL3115575 | 106395 | 0 | None | -4897 | 5 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 395 | 4 | 2 | 3 | 3.5 | Oc1ccc2c(c1)O[C@@H](CNCc1cccc(I)c1)CC2 | 10.1021/jm401384w | ||
| CHEMBL3139554 | 106395 | 0 | None | -4897 | 5 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 395 | 4 | 2 | 3 | 3.5 | Oc1ccc2c(c1)O[C@@H](CNCc1cccc(I)c1)CC2 | 10.1021/jm401384w | ||
| 130442572 | 171884 | 0 | None | 3 | 24 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 395 | 3 | 0 | 5 | 6.0 | FC(F)(F)c1cc(Oc2nccc3occc23)ccc1-c1cccc2nccn12 | 10.1021/acs.jmedchem.9b00351 | ||
| CHEMBL4469848 | 171884 | 0 | None | 3 | 24 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 395 | 3 | 0 | 5 | 6.0 | FC(F)(F)c1cc(Oc2nccc3occc23)ccc1-c1cccc2nccn12 | 10.1021/acs.jmedchem.9b00351 | ||
| 156018764 | 177771 | 0 | None | -2 | 2 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 361 | 2 | 1 | 3 | 3.8 | COc1cc2c(cc1O)C(c1ccccc1Br)CN(C)CC2 | 10.1016/j.bmcl.2020.127305 | ||
| CHEMBL4643426 | 177771 | 0 | None | -2 | 2 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 361 | 2 | 1 | 3 | 3.8 | COc1cc2c(cc1O)C(c1ccccc1Br)CN(C)CC2 | 10.1016/j.bmcl.2020.127305 | ||
| 156018236 | 177888 | 0 | None | 2 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 377 | 4 | 1 | 3 | 4.9 | C=CCN1CCc2cc(OC)c(O)cc2C(c2c(Cl)cccc2Cl)C1 | 10.1016/j.bmcl.2020.127305 | ||
| CHEMBL4645139 | 177888 | 0 | None | 2 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 377 | 4 | 1 | 3 | 4.9 | C=CCN1CCc2cc(OC)c(O)cc2C(c2c(Cl)cccc2Cl)C1 | 10.1016/j.bmcl.2020.127305 | ||
| 1353 | 1898 | 93 | None | -54 | 86 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | 10.1016/j.bmcl.2011.04.098 | ||
| 3559 | 1898 | 93 | None | -54 | 86 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | 10.1016/j.bmcl.2011.04.098 | ||
| 86 | 1898 | 93 | None | -54 | 86 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | 10.1016/j.bmcl.2011.04.098 | ||
| CHEMBL54 | 1898 | 93 | None | -54 | 86 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | 10.1016/j.bmcl.2011.04.098 | ||
| DB00502 | 1898 | 93 | None | -54 | 86 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | 10.1016/j.bmcl.2011.04.098 | ||
| 122177642 | 121184 | 0 | None | -21877 | 6 | Human | 4.3 | pKi | = | 4.3 | Binding | ChEMBL | 551 | 18 | 1 | 8 | 4.6 | C#CC1=CC[C@H](N(CCC)CCCCNC(=O)c2ccc(OCCCc3cn(CCCC)nn3)c(OC)c2)CO1 | 10.1021/jm501889t | ||
| CHEMBL3577343 | 121184 | 0 | None | -21877 | 6 | Human | 4.3 | pKi | = | 4.3 | Binding | ChEMBL | 551 | 18 | 1 | 8 | 4.6 | C#CC1=CC[C@H](N(CCC)CCCCNC(=O)c2ccc(OCCCc3cn(CCCC)nn3)c(OC)c2)CO1 | 10.1021/jm501889t | ||
| 156014482 | 177188 | 0 | None | -3 | 2 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 303 | 2 | 2 | 3 | 3.3 | COc1cc2c(cc1O)C(c1ccccc1Cl)CNCC2 | 10.1016/j.bmcl.2020.127305 | ||
| CHEMBL4635423 | 177188 | 0 | None | -3 | 2 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 303 | 2 | 2 | 3 | 3.3 | COc1cc2c(cc1O)C(c1ccccc1Cl)CNCC2 | 10.1016/j.bmcl.2020.127305 | ||
| 156010755 | 177117 | 0 | None | 2 | 2 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 351 | 2 | 1 | 3 | 4.3 | COc1cc2c(cc1O)C(c1c(Cl)cccc1Cl)CN(C)CC2 | 10.1016/j.bmcl.2020.127305 | ||
| CHEMBL4633950 | 177117 | 0 | None | 2 | 2 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 351 | 2 | 1 | 3 | 4.3 | COc1cc2c(cc1O)C(c1c(Cl)cccc1Cl)CN(C)CC2 | 10.1016/j.bmcl.2020.127305 | ||
| 44439945 | 93338 | 0 | None | -1 | 4 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 306 | 0 | 2 | 2 | 3.5 | CN1CCc2cc(O)ccc2Cc2[nH]c3ccccc3c2CC1 | 10.1016/j.bmcl.2006.11.093 | ||
| CHEMBL245571 | 93338 | 0 | None | -1 | 4 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 306 | 0 | 2 | 2 | 3.5 | CN1CCc2cc(O)ccc2Cc2[nH]c3ccccc3c2CC1 | 10.1016/j.bmcl.2006.11.093 | ||
| 168280742 | 191060 | 0 | None | -1 | 4 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 230 | 4 | 0 | 2 | 3.5 | O=Cc1ccc(-c2ccccc2OCF)cc1 | 10.1021/acs.jmedchem.2c00949 | ||
| CHEMBL5187578 | 191060 | 0 | None | -1 | 4 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 230 | 4 | 0 | 2 | 3.5 | O=Cc1ccc(-c2ccccc2OCF)cc1 | 10.1021/acs.jmedchem.2c00949 | ||
| 11452916 | 200806 | 0 | None | -7 | 3 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 420 | 3 | 2 | 4 | 3.7 | CCS(=O)(=O)Nc1ccc2c(c1)CC[C@H]1[C@H]2c2cc(O)c(Cl)cc2CCN1C | 10.1016/j.bmcl.2009.12.100 | ||
| CHEMBL600986 | 200806 | 0 | None | -7 | 3 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 420 | 3 | 2 | 4 | 3.7 | CCS(=O)(=O)Nc1ccc2c(c1)CC[C@H]1[C@H]2c2cc(O)c(Cl)cc2CCN1C | 10.1016/j.bmcl.2009.12.100 | ||
| 44275670 | 11957 | 1 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 457 | 8 | 2 | 5 | 3.7 | COc1cccc(CN2CC[C@H](NC(=O)c3cc(Cl)c(NC(=O)C4CC4)cc3OC)C2)c1 | 10.1021/jm030480f | ||
| CHEMBL1183144 | 11957 | 1 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 457 | 8 | 2 | 5 | 3.7 | COc1cccc(CN2CC[C@H](NC(=O)c3cc(Cl)c(NC(=O)C4CC4)cc3OC)C2)c1 | 10.1021/jm030480f | ||
| CHEMBL282116 | 11957 | 1 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 457 | 8 | 2 | 5 | 3.7 | COc1cccc(CN2CC[C@H](NC(=O)c3cc(Cl)c(NC(=O)C4CC4)cc3OC)C2)c1 | 10.1021/jm030480f | ||
| 11235174 | 200358 | 0 | None | -11 | 3 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 406 | 2 | 2 | 4 | 3.4 | CN1CCc2cc(Cl)c(O)cc2[C@H]2c3ccc(NS(C)(=O)=O)cc3CC[C@@H]21 | 10.1016/j.bmcl.2009.12.100 | ||
| CHEMBL597909 | 200358 | 0 | None | -11 | 3 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 406 | 2 | 2 | 4 | 3.4 | CN1CCc2cc(Cl)c(O)cc2[C@H]2c3ccc(NS(C)(=O)=O)cc3CC[C@@H]21 | 10.1016/j.bmcl.2009.12.100 | ||
| 11374299 | 200585 | 0 | None | -11 | 3 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 448 | 5 | 1 | 4 | 4.0 | CN1CCc2cc(Cl)c(O)cc2[C@@H](c2ccc(CN(C3CCC3)S(C)(=O)=O)cc2)C1 | 10.1016/j.bmcl.2009.12.100 | ||
| CHEMBL599282 | 200585 | 0 | None | -11 | 3 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 448 | 5 | 1 | 4 | 4.0 | CN1CCc2cc(Cl)c(O)cc2[C@@H](c2ccc(CN(C3CCC3)S(C)(=O)=O)cc2)C1 | 10.1016/j.bmcl.2009.12.100 | ||
| 156020547 | 178134 | 0 | None | -12 | 2 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 387 | 4 | 1 | 3 | 4.3 | C=CCN1CCc2cc(OC)c(O)cc2C(c2ccccc2Br)C1 | 10.1016/j.bmcl.2020.127305 | ||
| CHEMBL4649012 | 178134 | 0 | None | -12 | 2 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 387 | 4 | 1 | 3 | 4.3 | C=CCN1CCc2cc(OC)c(O)cc2C(c2ccccc2Br)C1 | 10.1016/j.bmcl.2020.127305 | ||
| 44436304 | 90420 | 0 | None | -3 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 396 | 6 | 0 | 5 | 3.7 | O=c1c2ccccc2ncn1CCCCN1CCN(c2ccc(Cl)cc2)CC1 | 10.1016/j.bmc.2007.06.002 | ||
| CHEMBL238718 | 90420 | 0 | None | -3 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 396 | 6 | 0 | 5 | 3.7 | O=c1c2ccccc2ncn1CCCCN1CCN(c2ccc(Cl)cc2)CC1 | 10.1016/j.bmc.2007.06.002 | ||
| 44427970 | 152586 | 0 | None | 1 | 5 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 325 | 2 | 0 | 3 | 3.7 | COc1cc2c(cc1OC)Cc1ccccc1CCCN(C)CC2 | 10.1021/jm070388+ | ||
| CHEMBL397207 | 152586 | 0 | None | 1 | 5 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 325 | 2 | 0 | 3 | 3.7 | COc1cc2c(cc1OC)Cc1ccccc1CCCN(C)CC2 | 10.1021/jm070388+ | ||
| 56593482 | 3910 | 3 | None | -467 | 9 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 462 | 7 | 1 | 5 | 4.6 | O=C1CCc2c(N1)nc(cc2)OCCCCN1CCCN(CC1)c1cccc(c1Cl)Cl | nan | ||
| 7650 | 3910 | 3 | None | -467 | 9 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 462 | 7 | 1 | 5 | 4.6 | O=C1CCc2c(N1)nc(cc2)OCCCCN1CCCN(CC1)c1cccc(c1Cl)Cl | nan | ||
| CHEMBL2165119 | 3910 | 3 | None | -467 | 9 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 462 | 7 | 1 | 5 | 4.6 | O=C1CCc2c(N1)nc(cc2)OCCCCN1CCCN(CC1)c1cccc(c1Cl)Cl | nan | ||
| 71528209 | 86943 | 0 | None | -812 | 7 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 465 | 6 | 0 | 3 | 5.8 | CC1=CC(C)=[N+]2C1=C(c1ccc(OCCCN3CCCCC3)cc1)c1c(C)cc(C)n1[B-]2(F)F | 10.1021/ml300383n | ||
| CHEMBL2323582 | 86943 | 0 | None | -812 | 7 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 465 | 6 | 0 | 3 | 5.8 | CC1=CC(C)=[N+]2C1=C(c1ccc(OCCCN3CCCCC3)cc1)c1c(C)cc(C)n1[B-]2(F)F | 10.1021/ml300383n | ||
| 53325242 | 57040 | 0 | None | -2 | 17 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 537 | 8 | 1 | 2 | 7.9 | OC1(c2ccc(Cl)c(C(F)(F)F)c2)CCN(CCCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1 | 10.1016/j.bmcl.2018.10.036 | ||
| CHEMBL1644978 | 57040 | 0 | None | -2 | 17 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 537 | 8 | 1 | 2 | 7.9 | OC1(c2ccc(Cl)c(C(F)(F)F)c2)CCN(CCCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1 | 10.1016/j.bmcl.2018.10.036 | ||
| 44415689 | 139084 | 0 | None | -58 | 6 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 494 | 2 | 2 | 6 | 4.7 | CN1CCN(C2=Nc3cc(Cl)ccc3N(NC(=O)c3c(N)cccc3Cl)c3ccccc32)CC1 | 10.1016/j.bmcl.2006.06.022 | ||
| CHEMBL378669 | 139084 | 0 | None | -58 | 6 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 494 | 2 | 2 | 6 | 4.7 | CN1CCN(C2=Nc3cc(Cl)ccc3N(NC(=O)c3c(N)cccc3Cl)c3ccccc32)CC1 | 10.1016/j.bmcl.2006.06.022 | ||
| 17756102 | 86115 | 0 | None | -2 | 5 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 309 | 1 | 0 | 2 | 4.1 | COc1ccc2c(c1)CCCN(C)CCCc1ccccc1C2 | 10.1021/jm070388+ | ||
| CHEMBL231171 | 86115 | 0 | None | -2 | 5 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 309 | 1 | 0 | 2 | 4.1 | COc1ccc2c(c1)CCCN(C)CCCc1ccccc1C2 | 10.1021/jm070388+ | ||
| 44408818 | 140140 | 1 | None | -12 | 6 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 281 | 1 | 0 | 2 | 3.3 | COc1ccc2c(c1)CCN(C)CCc1ccccc1C2 | 10.1021/jm070388+ | ||
| CHEMBL380330 | 140140 | 1 | None | -12 | 6 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 281 | 1 | 0 | 2 | 3.3 | COc1ccc2c(c1)CCN(C)CCc1ccccc1C2 | 10.1021/jm070388+ | ||
| 44408818 | 140140 | 1 | None | -12 | 6 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 281 | 1 | 0 | 2 | 3.3 | COc1ccc2c(c1)CCN(C)CCc1ccccc1C2 | 10.1016/j.bmc.2009.08.028 | ||
| CHEMBL380330 | 140140 | 1 | None | -12 | 6 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 281 | 1 | 0 | 2 | 3.3 | COc1ccc2c(c1)CCN(C)CCc1ccccc1C2 | 10.1016/j.bmc.2009.08.028 | ||
| 11441173 | 13928 | 0 | None | - | 1 | Human | 4.3 | pKi | = | 4.3 | Binding | ChEMBL | 327 | 6 | 1 | 2 | 4.7 | CCCN(CCC)[C@@H]1Cc2cc(O)c(F)cc2[C@H]1c1ccccc1 | 10.1021/jm040889k | ||
| CHEMBL1196699 | 13928 | 0 | None | - | 1 | Human | 4.3 | pKi | = | 4.3 | Binding | ChEMBL | 327 | 6 | 1 | 2 | 4.7 | CCCN(CCC)[C@@H]1Cc2cc(O)c(F)cc2[C@H]1c1ccccc1 | 10.1021/jm040889k | ||
| CHEMBL557840 | 13928 | 0 | None | - | 1 | Human | 4.3 | pKi | = | 4.3 | Binding | ChEMBL | 327 | 6 | 1 | 2 | 4.7 | CCCN(CCC)[C@@H]1Cc2cc(O)c(F)cc2[C@H]1c1ccccc1 | 10.1021/jm040889k | ||
| 17755999 | 142860 | 1 | None | -9 | 6 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 295 | 1 | 0 | 2 | 3.7 | COc1ccc2c(c1)CCCN(C)CCc1ccccc1C2 | 10.1021/jm070388+ | ||
| CHEMBL389357 | 142860 | 1 | None | -9 | 6 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 295 | 1 | 0 | 2 | 3.7 | COc1ccc2c(c1)CCCN(C)CCc1ccccc1C2 | 10.1021/jm070388+ | ||
| 154725813 | 176502 | 1 | None | -213 | 5 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 475 | 12 | 1 | 3 | 6.4 | CCCN(CCCCNC(=O)c1ccc(-c2ccccn2)cc1)CC1CC1c1cccc(Cl)c1 | 10.1021/acs.jmedchem.9b01835 | ||
| CHEMBL4568916 | 176502 | 1 | None | -213 | 5 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 475 | 12 | 1 | 3 | 6.4 | CCCN(CCCCNC(=O)c1ccc(-c2ccccn2)cc1)CC1CC1c1cccc(Cl)c1 | 10.1021/acs.jmedchem.9b01835 | ||
| CHEMBL4597047 | 176502 | 1 | None | -213 | 5 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 475 | 12 | 1 | 3 | 6.4 | CCCN(CCCCNC(=O)c1ccc(-c2ccccn2)cc1)CC1CC1c1cccc(Cl)c1 | 10.1021/acs.jmedchem.9b01835 | ||
| 137643132 | 158026 | 0 | None | -4786 | 6 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 503 | 7 | 1 | 7 | 3.8 | CC(C)(C)c1nc(N2CCN(CCCCNC(=O)c3cc4ccccn4n3)CC2)cc(C(F)(F)F)n1 | 10.1016/j.bmc.2017.04.036 | ||
| CHEMBL4085920 | 158026 | 0 | None | -4786 | 6 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 503 | 7 | 1 | 7 | 3.8 | CC(C)(C)c1nc(N2CCN(CCCCNC(=O)c3cc4ccccn4n3)CC2)cc(C(F)(F)F)n1 | 10.1016/j.bmc.2017.04.036 | ||
| 154703541 | 176275 | 1 | None | -24 | 6 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 464 | 11 | 1 | 3 | 6.1 | CCN(CCCCNC(=O)c1ccc2ccccc2c1)CC1CC1c1cc(Cl)ccc1OC | 10.1021/acs.jmedchem.9b01835 | ||
| CHEMBL4541924 | 176275 | 1 | None | -24 | 6 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 464 | 11 | 1 | 3 | 6.1 | CCN(CCCCNC(=O)c1ccc2ccccc2c1)CC1CC1c1cc(Cl)ccc1OC | 10.1021/acs.jmedchem.9b01835 | ||
| CHEMBL4595195 | 176275 | 1 | None | -24 | 6 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 464 | 11 | 1 | 3 | 6.1 | CCN(CCCCNC(=O)c1ccc2ccccc2c1)CC1CC1c1cc(Cl)ccc1OC | 10.1021/acs.jmedchem.9b01835 | ||
| 21509921 | 104431 | 0 | None | -56 | 24 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 288 | 0 | 0 | 2 | 3.7 | CN1CCc2c(c3cccc4c3n2-c2ccccc2CC4)C1 | 10.1016/j.bmcl.2013.12.024 | ||
| CHEMBL3104091 | 104431 | 0 | None | -56 | 24 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 288 | 0 | 0 | 2 | 3.7 | CN1CCc2c(c3cccc4c3n2-c2ccccc2CC4)C1 | 10.1016/j.bmcl.2013.12.024 | ||
| 154705296 | 176370 | 1 | None | -134 | 5 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 482 | 11 | 1 | 2 | 6.9 | CCCN(CCCCNC(=O)c1ccc2ccccc2c1)CC1CC1c1ccc(C(F)(F)F)cc1 | 10.1021/acs.jmedchem.9b01835 | ||
| CHEMBL4444691 | 176370 | 1 | None | -134 | 5 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 482 | 11 | 1 | 2 | 6.9 | CCCN(CCCCNC(=O)c1ccc2ccccc2c1)CC1CC1c1ccc(C(F)(F)F)cc1 | 10.1021/acs.jmedchem.9b01835 | ||
| CHEMBL4595970 | 176370 | 1 | None | -134 | 5 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 482 | 11 | 1 | 2 | 6.9 | CCCN(CCCCNC(=O)c1ccc2ccccc2c1)CC1CC1c1ccc(C(F)(F)F)cc1 | 10.1021/acs.jmedchem.9b01835 | ||
| 44415704 | 80130 | 0 | None | -19 | 6 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 474 | 2 | 2 | 6 | 4.4 | Cc1cccc(N)c1C(=O)NN1c2ccc(Cl)cc2N=C(N2CCN(C)CC2)c2ccccc21 | 10.1016/j.bmcl.2006.06.022 | ||
| CHEMBL213424 | 80130 | 0 | None | -19 | 6 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 474 | 2 | 2 | 6 | 4.4 | Cc1cccc(N)c1C(=O)NN1c2ccc(Cl)cc2N=C(N2CCN(C)CC2)c2ccccc21 | 10.1016/j.bmcl.2006.06.022 | ||
| 1353 | 1898 | 93 | None | -54 | 86 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | 10.1021/jm049720x | ||
| 3559 | 1898 | 93 | None | -54 | 86 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | 10.1021/jm049720x | ||
| 86 | 1898 | 93 | None | -54 | 86 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | 10.1021/jm049720x | ||
| CHEMBL54 | 1898 | 93 | None | -54 | 86 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | 10.1021/jm049720x | ||
| DB00502 | 1898 | 93 | None | -54 | 86 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | 10.1021/jm049720x | ||
| 137635685 | 155981 | 0 | None | -199 | 6 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 417 | 7 | 1 | 7 | 3.6 | Oc1ccc(N2CCN(CCCCOc3ccn4nccc4c3)CC2)c2cccnc12 | 10.1021/acs.jmedchem.7b00363 | ||
| CHEMBL4061986 | 155981 | 0 | None | -199 | 6 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 417 | 7 | 1 | 7 | 3.6 | Oc1ccc(N2CCN(CCCCOc3ccn4nccc4c3)CC2)c2cccnc12 | 10.1021/acs.jmedchem.7b00363 | ||
| 21509921 | 104431 | 0 | None | -56 | 24 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 288 | 0 | 0 | 2 | 3.7 | CN1CCc2c(c3cccc4c3n2-c2ccccc2CC4)C1 | 10.1016/j.bmcl.2013.12.024 | ||
| CHEMBL3104091 | 104431 | 0 | None | -56 | 24 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 288 | 0 | 0 | 2 | 3.7 | CN1CCc2c(c3cccc4c3n2-c2ccccc2CC4)C1 | 10.1016/j.bmcl.2013.12.024 | ||
| 154704705 | 176301 | 1 | None | -2 | 5 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 440 | 11 | 1 | 6 | 4.9 | CCOc1ccc(F)cc1C1CC1CNCCCSc1nnc(-c2ccccc2)n1C | 10.1021/acs.jmedchem.9b01835 | ||
| CHEMBL4590356 | 176301 | 1 | None | -2 | 5 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 440 | 11 | 1 | 6 | 4.9 | CCOc1ccc(F)cc1C1CC1CNCCCSc1nnc(-c2ccccc2)n1C | 10.1021/acs.jmedchem.9b01835 | ||
| CHEMBL4595409 | 176301 | 1 | None | -2 | 5 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 440 | 11 | 1 | 6 | 4.9 | CCOc1ccc(F)cc1C1CC1CNCCCSc1nnc(-c2ccccc2)n1C | 10.1021/acs.jmedchem.9b01835 | ||
| 11121216 | 30108 | 0 | None | -295 | 14 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 335 | 1 | 1 | 2 | 3.0 | C[C@@H]1C[C@@H](C)N1C(=O)[C@@H]1C=C2c3cccc4[nH]cc(c34)CC2N(C)C1 | 10.1021/jm020153s | ||
| CHEMBL138989 | 30108 | 0 | None | -295 | 14 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 335 | 1 | 1 | 2 | 3.0 | C[C@@H]1C[C@@H](C)N1C(=O)[C@@H]1C=C2c3cccc4[nH]cc(c34)CC2N(C)C1 | 10.1021/jm020153s | ||
| 11198948 | 13683 | 0 | None | - | 1 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 271 | 2 | 1 | 2 | 3.2 | CN(C)[C@@H]1Cc2cc(O)c(F)cc2[C@H]1c1ccccc1 | 10.1021/jm040889k | ||
| CHEMBL1194996 | 13683 | 0 | None | - | 1 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 271 | 2 | 1 | 2 | 3.2 | CN(C)[C@@H]1Cc2cc(O)c(F)cc2[C@H]1c1ccccc1 | 10.1021/jm040889k | ||
| CHEMBL553690 | 13683 | 0 | None | - | 1 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 271 | 2 | 1 | 2 | 3.2 | CN(C)[C@@H]1Cc2cc(O)c(F)cc2[C@H]1c1ccccc1 | 10.1021/jm040889k | ||
| 46232066 | 201233 | 0 | None | -8 | 4 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 419 | 2 | 1 | 3 | 5.7 | COc1ccc(-c2cccc3c2CC[C@H]2[C@H]3c3cc(O)c(Cl)cc3CCN2C)cc1 | 10.1016/j.bmcl.2009.12.094 | ||
| CHEMBL603872 | 201233 | 0 | None | -8 | 4 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 419 | 2 | 1 | 3 | 5.7 | COc1ccc(-c2cccc3c2CC[C@H]2[C@H]3c3cc(O)c(Cl)cc3CCN2C)cc1 | 10.1016/j.bmcl.2009.12.094 | ||
| CHEMBL5283362 | 194179 | 0 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 375 | 2 | 1 | 4 | 3.5 | O=[N+]([O-])C1=Cc2cc(C#Cc3ccc(CO)cc3)ccc2OC1C(F)(F)F | 10.1016/j.bmcl.2022.128981 | ||
| 145970938 | 165132 | 0 | None | -4 | 5 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 233 | 5 | 1 | 2 | 3.4 | CCCCCN1CCC(c2cccc(O)c2)C1 | 10.1016/j.bmcl.2018.03.084 | ||
| CHEMBL4228054 | 165132 | 0 | None | -4 | 5 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 233 | 5 | 1 | 2 | 3.4 | CCCCCN1CCC(c2cccc(O)c2)C1 | 10.1016/j.bmcl.2018.03.084 | ||
| 154705884 | 176339 | 1 | None | -190 | 6 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 448 | 11 | 1 | 2 | 6.5 | CCCN(CCCCNC(=O)c1ccc2ccccc2c1)CC1CC1c1ccc(Cl)cc1 | 10.1021/acs.jmedchem.9b01835 | ||
| CHEMBL4469584 | 176339 | 1 | None | -190 | 6 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 448 | 11 | 1 | 2 | 6.5 | CCCN(CCCCNC(=O)c1ccc2ccccc2c1)CC1CC1c1ccc(Cl)cc1 | 10.1021/acs.jmedchem.9b01835 | ||
| CHEMBL4595726 | 176339 | 1 | None | -190 | 6 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 448 | 11 | 1 | 2 | 6.5 | CCCN(CCCCNC(=O)c1ccc2ccccc2c1)CC1CC1c1ccc(Cl)cc1 | 10.1021/acs.jmedchem.9b01835 | ||
| 56597938 | 3909 | 3 | None | -1380 | 9 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 461 | 7 | 1 | 4 | 5.2 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCCN(CC1)c1cccc(c1Cl)Cl | nan | ||
| 7651 | 3909 | 3 | None | -1380 | 9 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 461 | 7 | 1 | 4 | 5.2 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCCN(CC1)c1cccc(c1Cl)Cl | nan | ||
| CHEMBL2165126 | 3909 | 3 | None | -1380 | 9 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 461 | 7 | 1 | 4 | 5.2 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCCN(CC1)c1cccc(c1Cl)Cl | nan | ||
| 21171 | 186952 | 33 | None | -1 | 5 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 339 | 2 | 0 | 5 | 3.1 | COc1ccc2c(c1OC)CN1CCc3cc4c(cc3[C@@H]1C2)OCO4 | 10.1016/j.bmcl.2017.01.090 | ||
| CHEMBL490533 | 186952 | 33 | None | -1 | 5 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 339 | 2 | 0 | 5 | 3.1 | COc1ccc2c(c1OC)CN1CCc3cc4c(cc3[C@@H]1C2)OCO4 | 10.1016/j.bmcl.2017.01.090 | ||
| 11406143 | 66102 | 0 | None | 2 | 4 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 372 | 7 | 0 | 3 | 4.5 | c1ccc(Cc2ccccc2OCCN2CCN(c3ccccc3)CC2)cc1 | 10.1021/jm049720x | ||
| CHEMBL184073 | 66102 | 0 | None | 2 | 4 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 372 | 7 | 0 | 3 | 4.5 | c1ccc(Cc2ccccc2OCCN2CCN(c3ccccc3)CC2)cc1 | 10.1021/jm049720x | ||
| 145986752 | 167252 | 0 | None | -1 | 17 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 562 | 10 | 1 | 5 | 7.3 | COc1ccc(N(CCCCN2CCC(O)(c3ccc(Cl)c(C(F)(F)F)c3)CC2)c2ccc(OC)cc2)cc1 | 10.1016/j.bmcl.2018.10.036 | ||
| CHEMBL4293307 | 167252 | 0 | None | -1 | 17 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 562 | 10 | 1 | 5 | 7.3 | COc1ccc(N(CCCCN2CCC(O)(c3ccc(Cl)c(C(F)(F)F)c3)CC2)c2ccc(OC)cc2)cc1 | 10.1016/j.bmcl.2018.10.036 | ||
| 3038495 | 705 | 37 | None | -426 | 19 | Rat | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 417 | 8 | 1 | 4 | 4.2 | COc1ccccc1N1CCN(CC1)CCCCNC(=O)c1ccc2c(c1)cccc2 | 10.1021/jm049031l | ||
| 7625 | 705 | 37 | None | -426 | 19 | Rat | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 417 | 8 | 1 | 4 | 4.2 | COc1ccccc1N1CCN(CC1)CCCCNC(=O)c1ccc2c(c1)cccc2 | 10.1021/jm049031l | ||
| CHEMBL25236 | 705 | 37 | None | -426 | 19 | Rat | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 417 | 8 | 1 | 4 | 4.2 | COc1ccccc1N1CCN(CC1)CCCCNC(=O)c1ccc2c(c1)cccc2 | 10.1021/jm049031l | ||
| 145969667 | 164941 | 0 | None | -41 | 6 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 289 | 9 | 1 | 2 | 4.9 | CCCCCCCCCN1CCC(c2cccc(O)c2)C1 | 10.1016/j.bmcl.2018.03.084 | ||
| CHEMBL4225278 | 164941 | 0 | None | -41 | 6 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 289 | 9 | 1 | 2 | 4.9 | CCCCCCCCCN1CCC(c2cccc(O)c2)C1 | 10.1016/j.bmcl.2018.03.084 | ||
| 145967904 | 165073 | 0 | None | -5 | 6 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 247 | 6 | 1 | 2 | 3.8 | CCCCCCN1CCC(c2cccc(O)c2)C1 | 10.1016/j.bmcl.2018.03.084 | ||
| CHEMBL4227192 | 165073 | 0 | None | -5 | 6 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 247 | 6 | 1 | 2 | 3.8 | CCCCCCN1CCC(c2cccc(O)c2)C1 | 10.1016/j.bmcl.2018.03.084 | ||
| 56594402 | 70570 | 0 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 334 | 1 | 2 | 2 | 3.2 | CN1CCc2ccccc2Cc2[nH]c3ccccc3c2CC1C(=O)O | 10.1021/jm200676f | ||
| CHEMBL1949727 | 70570 | 0 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 334 | 1 | 2 | 2 | 3.2 | CN1CCc2ccccc2Cc2[nH]c3ccccc3c2CC1C(=O)O | 10.1021/jm200676f | ||
| 70607606 | 177180 | 0 | None | -2 | 2 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 333 | 1 | 3 | 3 | 3.1 | Oc1cc2c(cc1O)C(c1ccccc1Br)CNCC2 | 10.1016/j.bmcl.2020.127305 | ||
| CHEMBL4635277 | 177180 | 0 | None | -2 | 2 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 333 | 1 | 3 | 3 | 3.1 | Oc1cc2c(cc1O)C(c1ccccc1Br)CNCC2 | 10.1016/j.bmcl.2020.127305 | ||
| 11247757 | 133554 | 0 | None | -741 | 3 | Rat | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 443 | 7 | 1 | 4 | 4.5 | COc1cccc2c1CC[C@H]1CN(CCCCNC(=O)c3ccc4ccccc4c3)CCN21 | 10.1021/jm049031l | ||
| CHEMBL371200 | 133554 | 0 | None | -741 | 3 | Rat | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 443 | 7 | 1 | 4 | 4.5 | COc1cccc2c1CC[C@H]1CN(CCCCNC(=O)c3ccc4ccccc4c3)CCN21 | 10.1021/jm049031l | ||
| 17756213 | 149680 | 1 | None | -1 | 5 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 281 | 0 | 1 | 2 | 3.4 | CN1CCCc2ccccc2Cc2cc(O)ccc2CC1 | 10.1021/jm070388+ | ||
| CHEMBL394779 | 149680 | 1 | None | -1 | 5 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 281 | 0 | 1 | 2 | 3.4 | CN1CCCc2ccccc2Cc2cc(O)ccc2CC1 | 10.1021/jm070388+ | ||
| 44415672 | 80145 | 0 | None | -5 | 6 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 531 | 2 | 1 | 5 | 5.6 | CN1CCN(C2=Nc3cc(Cl)ccc3N(NC(=O)c3c(F)cccc3C(F)(F)F)c3ccccc32)CC1 | 10.1016/j.bmcl.2006.06.022 | ||
| CHEMBL213492 | 80145 | 0 | None | -5 | 6 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 531 | 2 | 1 | 5 | 5.6 | CN1CCN(C2=Nc3cc(Cl)ccc3N(NC(=O)c3c(F)cccc3C(F)(F)F)c3ccccc32)CC1 | 10.1016/j.bmcl.2006.06.022 | ||
| 46231768 | 199457 | 0 | None | -2 | 3 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 328 | 0 | 2 | 3 | 3.6 | CN1CCc2cc(Cl)c(O)cc2[C@H]2c3cccc(N)c3CC[C@@H]21 | 10.1016/j.bmcl.2009.12.100 | ||
| CHEMBL591685 | 199457 | 0 | None | -2 | 3 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 328 | 0 | 2 | 3 | 3.6 | CN1CCc2cc(Cl)c(O)cc2[C@H]2c3cccc(N)c3CC[C@@H]21 | 10.1016/j.bmcl.2009.12.100 | ||
| 25142456 | 82377 | 2 | None | -3 | 9 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 269 | 0 | 3 | 4 | 2.1 | Oc1cc2c(cc1O)C1c3ccccc3CNC1CO2 | 10.1021/jm0604979 | ||
| CHEMBL217299 | 82377 | 2 | None | -3 | 9 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 269 | 0 | 3 | 4 | 2.1 | Oc1cc2c(cc1O)C1c3ccccc3CNC1CO2 | 10.1021/jm0604979 | ||
| 11223303 | 200807 | 0 | None | -4 | 3 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 399 | 2 | 3 | 3 | 4.1 | CCNC(=O)Nc1ccc2c(c1)CC[C@H]1[C@H]2c2cc(O)c(Cl)cc2CCN1C | 10.1016/j.bmcl.2009.12.100 | ||
| CHEMBL600987 | 200807 | 0 | None | -4 | 3 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 399 | 2 | 3 | 3 | 4.1 | CCNC(=O)Nc1ccc2c(c1)CC[C@H]1[C@H]2c2cc(O)c(Cl)cc2CCN1C | 10.1016/j.bmcl.2009.12.100 | ||
| 46231847 | 200551 | 0 | None | -3 | 4 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 343 | 1 | 2 | 3 | 3.5 | CN1CCc2cc(Cl)c(O)cc2[C@H]2c3cccc(CO)c3CC[C@@H]21 | 10.1016/j.bmcl.2009.12.094 | ||
| CHEMBL599116 | 200551 | 0 | None | -3 | 4 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 343 | 1 | 2 | 3 | 3.5 | CN1CCc2cc(Cl)c(O)cc2[C@H]2c3cccc(CO)c3CC[C@@H]21 | 10.1016/j.bmcl.2009.12.094 | ||
| 4350931 | 169289 | 44 | None | -123 | 7 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 290 | 0 | 1 | 1 | 3.8 | CN1CCc2ccccc2Cc2[nH]c3ccccc3c2CC1 | 10.1021/jm051237e | ||
| CHEMBL441618 | 169289 | 44 | None | -123 | 7 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 290 | 0 | 1 | 1 | 3.8 | CN1CCc2ccccc2Cc2[nH]c3ccccc3c2CC1 | 10.1021/jm051237e | ||
| 4350931 | 169289 | 44 | None | -123 | 7 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 290 | 0 | 1 | 1 | 3.8 | CN1CCc2ccccc2Cc2[nH]c3ccccc3c2CC1 | 10.1039/C5MD00258C | ||
| CHEMBL441618 | 169289 | 44 | None | -123 | 7 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 290 | 0 | 1 | 1 | 3.8 | CN1CCc2ccccc2Cc2[nH]c3ccccc3c2CC1 | 10.1039/C5MD00258C | ||
| 4350931 | 169289 | 44 | None | -123 | 7 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 290 | 0 | 1 | 1 | 3.8 | CN1CCc2ccccc2Cc2[nH]c3ccccc3c2CC1 | 10.1016/j.bmcl.2006.11.093 | ||
| CHEMBL441618 | 169289 | 44 | None | -123 | 7 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 290 | 0 | 1 | 1 | 3.8 | CN1CCc2ccccc2Cc2[nH]c3ccccc3c2CC1 | 10.1016/j.bmcl.2006.11.093 | ||
| 4350931 | 169289 | 44 | None | -123 | 7 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 290 | 0 | 1 | 1 | 3.8 | CN1CCc2ccccc2Cc2[nH]c3ccccc3c2CC1 | 10.1021/jm060213k | ||
| CHEMBL441618 | 169289 | 44 | None | -123 | 7 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 290 | 0 | 1 | 1 | 3.8 | CN1CCc2ccccc2Cc2[nH]c3ccccc3c2CC1 | 10.1021/jm060213k | ||
| 46231845 | 200710 | 0 | None | -2 | 4 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 391 | 0 | 1 | 2 | 4.7 | CN1CCc2cc(Cl)c(O)cc2[C@H]2c3cccc(Br)c3CC[C@@H]21 | 10.1016/j.bmcl.2009.12.094 | ||
| CHEMBL600083 | 200710 | 0 | None | -2 | 4 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 391 | 0 | 1 | 2 | 4.7 | CN1CCc2cc(Cl)c(O)cc2[C@H]2c3cccc(Br)c3CC[C@@H]21 | 10.1016/j.bmcl.2009.12.094 | ||
| 122177645 | 121187 | 0 | None | -3311 | 6 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 591 | 18 | 2 | 8 | 5.6 | CCCCn1cc(CCCOc2ccc(C(=O)NCCCCN(CCC)[C@H]3CCc4c(O)cccc4C3)cc2OC)nn1 | 10.1021/jm501889t | ||
| CHEMBL3577346 | 121187 | 0 | None | -3311 | 6 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 591 | 18 | 2 | 8 | 5.6 | CCCCn1cc(CCCOc2ccc(C(=O)NCCCCN(CCC)[C@H]3CCc4c(O)cccc4C3)cc2OC)nn1 | 10.1021/jm501889t | ||
| 122181330 | 121845 | 0 | None | -8128 | 6 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 396 | 9 | 1 | 3 | 5.3 | CCCN(CCCCNC(=O)/N=N/c1ccc(F)cc1)C1Cc2ccccc2C1 | 10.1016/j.bmc.2014.12.012 | ||
| CHEMBL3590081 | 121845 | 0 | None | -8128 | 6 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 396 | 9 | 1 | 3 | 5.3 | CCCN(CCCCNC(=O)/N=N/c1ccc(F)cc1)C1Cc2ccccc2C1 | 10.1016/j.bmc.2014.12.012 | ||
| 11301268 | 13943 | 0 | None | - | 1 | Human | 4.2 | pKi | = | 4.2 | Binding | ChEMBL | 271 | 3 | 1 | 2 | 3.1 | CN[C@@H]1Cc2cc(OC)c(F)cc2[C@H]1c1ccccc1 | 10.1021/jm040889k | ||
| CHEMBL1196825 | 13943 | 0 | None | - | 1 | Human | 4.2 | pKi | = | 4.2 | Binding | ChEMBL | 271 | 3 | 1 | 2 | 3.1 | CN[C@@H]1Cc2cc(OC)c(F)cc2[C@H]1c1ccccc1 | 10.1021/jm040889k | ||
| CHEMBL558364 | 13943 | 0 | None | - | 1 | Human | 4.2 | pKi | = | 4.2 | Binding | ChEMBL | 271 | 3 | 1 | 2 | 3.1 | CN[C@@H]1Cc2cc(OC)c(F)cc2[C@H]1c1ccccc1 | 10.1021/jm040889k | ||
| 11290688 | 13912 | 0 | None | - | 1 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 257 | 2 | 2 | 2 | 2.8 | CN[C@@H]1Cc2cc(O)c(F)cc2[C@H]1c1ccccc1 | 10.1021/jm040889k | ||
| CHEMBL1196599 | 13912 | 0 | None | - | 1 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 257 | 2 | 2 | 2 | 2.8 | CN[C@@H]1Cc2cc(O)c(F)cc2[C@H]1c1ccccc1 | 10.1021/jm040889k | ||
| CHEMBL557582 | 13912 | 0 | None | - | 1 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 257 | 2 | 2 | 2 | 2.8 | CN[C@@H]1Cc2cc(O)c(F)cc2[C@H]1c1ccccc1 | 10.1021/jm040889k | ||
| 16007117 | 80007 | 0 | None | -72 | 6 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 479 | 2 | 1 | 5 | 5.1 | CN1CCN(C2=Nc3cc(Cl)ccc3N(NC(=O)c3ccccc3Cl)c3ccccc32)CC1 | 10.1016/j.bmcl.2006.06.022 | ||
| CHEMBL212912 | 80007 | 0 | None | -72 | 6 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 479 | 2 | 1 | 5 | 5.1 | CN1CCN(C2=Nc3cc(Cl)ccc3N(NC(=O)c3ccccc3Cl)c3ccccc32)CC1 | 10.1016/j.bmcl.2006.06.022 | ||
| 44582676 | 189755 | 0 | None | -57 | 17 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 403 | 9 | 0 | 4 | 4.3 | COc1c(OCCF)cccc1C(=O)C1CCN(CCc2ccc(F)cc2)CC1 | 10.1016/j.bmc.2009.03.021 | ||
| CHEMBL516088 | 189755 | 0 | None | -57 | 17 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 403 | 9 | 0 | 4 | 4.3 | COc1c(OCCF)cccc1C(=O)C1CCN(CCc2ccc(F)cc2)CC1 | 10.1016/j.bmc.2009.03.021 | ||
| 44582675 | 189677 | 0 | None | -125 | 15 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 405 | 9 | 1 | 4 | 4.2 | COc1c(OCCF)cccc1[C@H](O)C1CCN(CCc2ccc(F)cc2)CC1 | 10.1016/j.bmc.2009.03.021 | ||
| CHEMBL515472 | 189677 | 0 | None | -125 | 15 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 405 | 9 | 1 | 4 | 4.2 | COc1c(OCCF)cccc1[C@H](O)C1CCN(CCc2ccc(F)cc2)CC1 | 10.1016/j.bmc.2009.03.021 | ||
| 145980271 | 166468 | 0 | None | -1 | 16 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 538 | 8 | 1 | 3 | 7.5 | OC1(c2ccc(Cl)c(C(F)(F)F)c2)CCN(CCCCN(c2ccc(F)cc2)c2ccc(F)cc2)CC1 | 10.1016/j.bmcl.2018.10.036 | ||
| CHEMBL4278465 | 166468 | 0 | None | -1 | 16 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 538 | 8 | 1 | 3 | 7.5 | OC1(c2ccc(Cl)c(C(F)(F)F)c2)CCN(CCCCN(c2ccc(F)cc2)c2ccc(F)cc2)CC1 | 10.1016/j.bmcl.2018.10.036 | ||
| 17756212 | 86339 | 1 | None | 1 | 5 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 295 | 1 | 0 | 2 | 3.7 | COc1ccc2c(c1)Cc1ccccc1CCCN(C)CC2 | 10.1021/jm070388+ | ||
| CHEMBL231374 | 86339 | 1 | None | 1 | 5 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 295 | 1 | 0 | 2 | 3.7 | COc1ccc2c(c1)Cc1ccccc1CCCN(C)CC2 | 10.1021/jm070388+ | ||
| 42626289 | 148055 | 0 | None | -3 | 4 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 379 | 7 | 0 | 4 | 3.3 | COc1ccccc1N1CCN(CCCCN2Cc3ccccc3C2=O)CC1 | 10.1016/j.bmc.2007.06.002 | ||
| CHEMBL393492 | 148055 | 0 | None | -3 | 4 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 379 | 7 | 0 | 4 | 3.3 | COc1ccccc1N1CCN(CCCCN2Cc3ccccc3C2=O)CC1 | 10.1016/j.bmc.2007.06.002 | ||
| 11442138 | 69160 | 0 | None | -1862 | 3 | Rat | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 443 | 7 | 1 | 4 | 4.5 | COc1cccc2c1N1CCN(CCCCNC(=O)c3ccc4ccccc4c3)C[C@H]1CC2 | 10.1021/jm049031l | ||
| CHEMBL192650 | 69160 | 0 | None | -1862 | 3 | Rat | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 443 | 7 | 1 | 4 | 4.5 | COc1cccc2c1N1CCN(CCCCNC(=O)c3ccc4ccccc4c3)C[C@H]1CC2 | 10.1021/jm049031l | ||
| 11415988 | 13936 | 0 | None | - | 1 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 285 | 3 | 0 | 2 | 3.5 | COc1cc2c(cc1F)[C@@H](c1ccccc1)[C@H](N(C)C)C2 | 10.1021/jm040889k | ||
| CHEMBL1196757 | 13936 | 0 | None | - | 1 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 285 | 3 | 0 | 2 | 3.5 | COc1cc2c(cc1F)[C@@H](c1ccccc1)[C@H](N(C)C)C2 | 10.1021/jm040889k | ||
| CHEMBL558040 | 13936 | 0 | None | - | 1 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 285 | 3 | 0 | 2 | 3.5 | COc1cc2c(cc1F)[C@@H](c1ccccc1)[C@H](N(C)C)C2 | 10.1021/jm040889k | ||
| 137651322 | 157451 | 0 | None | -8709 | 6 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 465 | 8 | 2 | 9 | 2.2 | O=Cc1cnn2ccc(OCCCCN3CCN(c4ccc(O)c5c4OCC(=O)N5)CC3)cc12 | 10.1016/j.bmc.2017.08.037 | ||
| CHEMBL4079375 | 157451 | 0 | None | -8709 | 6 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 465 | 8 | 2 | 9 | 2.2 | O=Cc1cnn2ccc(OCCCCN3CCN(c4ccc(O)c5c4OCC(=O)N5)CC3)cc12 | 10.1016/j.bmc.2017.08.037 | ||
| 11405458 | 12737 | 0 | None | - | 1 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 271 | 2 | 1 | 2 | 3.2 | CN(C)[C@@H]1Cc2cc(F)c(O)cc2[C@H]1c1ccccc1 | 10.1021/jm040889k | ||
| CHEMBL1187931 | 12737 | 0 | None | - | 1 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 271 | 2 | 1 | 2 | 3.2 | CN(C)[C@@H]1Cc2cc(F)c(O)cc2[C@H]1c1ccccc1 | 10.1021/jm040889k | ||
| CHEMBL534478 | 12737 | 0 | None | - | 1 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 271 | 2 | 1 | 2 | 3.2 | CN(C)[C@@H]1Cc2cc(F)c(O)cc2[C@H]1c1ccccc1 | 10.1021/jm040889k | ||
| 154706461 | 176324 | 1 | None | -331 | 5 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 509 | 12 | 1 | 3 | 6.8 | CCCN(CCCCNC(=O)c1ccc(-c2ccccn2)cc1)CC1CC1c1ccc(C(F)(F)F)cc1 | 10.1021/acs.jmedchem.9b01835 | ||
| CHEMBL4470439 | 176324 | 1 | None | -331 | 5 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 509 | 12 | 1 | 3 | 6.8 | CCCN(CCCCNC(=O)c1ccc(-c2ccccn2)cc1)CC1CC1c1ccc(C(F)(F)F)cc1 | 10.1021/acs.jmedchem.9b01835 | ||
| CHEMBL4595600 | 176324 | 1 | None | -331 | 5 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 509 | 12 | 1 | 3 | 6.8 | CCCN(CCCCNC(=O)c1ccc(-c2ccccn2)cc1)CC1CC1c1ccc(C(F)(F)F)cc1 | 10.1021/acs.jmedchem.9b01835 | ||
| 135398737 | 955 | 93 | None | -89 | 92 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 10.1021/jm9601720 | ||
| 38 | 955 | 93 | None | -89 | 92 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 10.1021/jm9601720 | ||
| 722 | 955 | 93 | None | -89 | 92 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 10.1021/jm9601720 | ||
| CHEMBL42 | 955 | 93 | None | -89 | 92 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 10.1021/jm9601720 | ||
| DB00363 | 955 | 93 | None | -89 | 92 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 10.1021/jm9601720 | ||
| 154706431 | 176561 | 1 | None | -70 | 6 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 451 | 12 | 2 | 3 | 5.3 | CCCN(CCCCNC(=O)c1cc2ccccc2[nH]1)CC1CC1c1cc(F)ccc1OC | 10.1021/acs.jmedchem.9b01835 | ||
| CHEMBL4531363 | 176561 | 1 | None | -70 | 6 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 451 | 12 | 2 | 3 | 5.3 | CCCN(CCCCNC(=O)c1cc2ccccc2[nH]1)CC1CC1c1cc(F)ccc1OC | 10.1021/acs.jmedchem.9b01835 | ||
| CHEMBL4597531 | 176561 | 1 | None | -70 | 6 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 451 | 12 | 2 | 3 | 5.3 | CCCN(CCCCNC(=O)c1cc2ccccc2[nH]1)CC1CC1c1cc(F)ccc1OC | 10.1021/acs.jmedchem.9b01835 | ||
| 11637457 | 73058 | 1 | None | -1 | 5 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 257 | 0 | 0 | 2 | 3.4 | CN1CCc2ccccc2Cc2ccsc2CC1 | 10.1021/jm050846j | ||
| CHEMBL201093 | 73058 | 1 | None | -1 | 5 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 257 | 0 | 0 | 2 | 3.4 | CN1CCc2ccccc2Cc2ccsc2CC1 | 10.1021/jm050846j | ||
| 11154555 | 797 | 62 | None | -870 | 12 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 426 | 5 | 1 | 3 | 4.3 | O=C(N(C)C)N[C@@H]1CC[C@H](CC1)CCN1CCN(CC1)c1cccc(c1Cl)Cl | 10.1016/j.bmc.2017.04.036 | ||
| 5037 | 797 | 62 | None | -870 | 12 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 426 | 5 | 1 | 3 | 4.3 | O=C(N(C)C)N[C@@H]1CC[C@H](CC1)CCN1CCN(CC1)c1cccc(c1Cl)Cl | 10.1016/j.bmc.2017.04.036 | ||
| 7671 | 797 | 62 | None | -870 | 12 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 426 | 5 | 1 | 3 | 4.3 | O=C(N(C)C)N[C@@H]1CC[C@H](CC1)CCN1CCN(CC1)c1cccc(c1Cl)Cl | 10.1016/j.bmc.2017.04.036 | ||
| CHEMBL2028019 | 797 | 62 | None | -870 | 12 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 426 | 5 | 1 | 3 | 4.3 | O=C(N(C)C)N[C@@H]1CC[C@H](CC1)CCN1CCN(CC1)c1cccc(c1Cl)Cl | 10.1016/j.bmc.2017.04.036 | ||
| CHEMBL3085826 | 797 | 62 | None | -870 | 12 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 426 | 5 | 1 | 3 | 4.3 | O=C(N(C)C)N[C@@H]1CC[C@H](CC1)CCN1CCN(CC1)c1cccc(c1Cl)Cl | 10.1016/j.bmc.2017.04.036 | ||
| DB06016 | 797 | 62 | None | -870 | 12 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 426 | 5 | 1 | 3 | 4.3 | O=C(N(C)C)N[C@@H]1CC[C@H](CC1)CCN1CCN(CC1)c1cccc(c1Cl)Cl | 10.1016/j.bmc.2017.04.036 | ||
| 9801858 | 63416 | 0 | None | -12 | 3 | Rat | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 413 | 6 | 1 | 3 | 4.5 | O=C(NCCCCN1CCN2c3ccccc3CCC2C1)c1ccc2ccccc2c1 | 10.1021/jm049031l | ||
| CHEMBL179757 | 63416 | 0 | None | -12 | 3 | Rat | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 413 | 6 | 1 | 3 | 4.5 | O=C(NCCCCN1CCN2c3ccccc3CCC2C1)c1ccc2ccccc2c1 | 10.1021/jm049031l | ||
| 3036864 | 202731 | 19 | None | -3 | 28 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 287 | 1 | 1 | 2 | 3.7 | CN1CCc2cc(Cl)c(O)cc2[C@@H](c2ccccc2)C1 | 10.1021/jm040889k | ||
| CHEMBL1256645 | 202731 | 19 | None | -3 | 28 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 287 | 1 | 1 | 2 | 3.7 | CN1CCc2cc(Cl)c(O)cc2[C@@H](c2ccccc2)C1 | 10.1021/jm040889k | ||
| CHEMBL1814790 | 202731 | 19 | None | -3 | 28 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 287 | 1 | 1 | 2 | 3.7 | CN1CCc2cc(Cl)c(O)cc2[C@@H](c2ccccc2)C1 | 10.1021/jm040889k | ||
| CHEMBL62 | 202731 | 19 | None | -3 | 28 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 287 | 1 | 1 | 2 | 3.7 | CN1CCc2cc(Cl)c(O)cc2[C@@H](c2ccccc2)C1 | 10.1021/jm040889k | ||
| 46231646 | 200442 | 0 | None | -1 | 3 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 328 | 0 | 2 | 3 | 3.6 | CN1CCc2cc(Cl)c(O)cc2[C@H]2c3ccc(N)cc3CC[C@@H]21 | 10.1016/j.bmcl.2009.12.100 | ||
| CHEMBL598515 | 200442 | 0 | None | -1 | 3 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 328 | 0 | 2 | 3 | 3.6 | CN1CCc2cc(Cl)c(O)cc2[C@H]2c3ccc(N)cc3CC[C@@H]21 | 10.1016/j.bmcl.2009.12.100 | ||
| 42625354 | 91571 | 0 | None | -2 | 4 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 349 | 6 | 0 | 3 | 3.2 | O=C1c2ccccc2CN1CCCCN1CCN(c2ccccc2)CC1 | 10.1016/j.bmc.2007.06.002 | ||
| CHEMBL240774 | 91571 | 0 | None | -2 | 4 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 349 | 6 | 0 | 3 | 3.2 | O=C1c2ccccc2CN1CCCCN1CCN(c2ccccc2)CC1 | 10.1016/j.bmc.2007.06.002 | ||
| 44436308 | 91730 | 0 | None | -5 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 417 | 6 | 0 | 3 | 4.3 | O=C1c2ccccc2CN1CCCCN1CCN(c2cccc(C(F)(F)F)c2)CC1 | 10.1016/j.bmc.2007.06.002 | ||
| CHEMBL240996 | 91730 | 0 | None | -5 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 417 | 6 | 0 | 3 | 4.3 | O=C1c2ccccc2CN1CCCCN1CCN(c2cccc(C(F)(F)F)c2)CC1 | 10.1016/j.bmc.2007.06.002 | ||
| 154705038 | 176622 | 1 | None | -245 | 5 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 471 | 11 | 2 | 2 | 6.2 | CCCN(CCCCNC(=O)c1cc2ccccc2[nH]1)CC1CC1c1ccc(C(F)(F)F)cc1 | 10.1021/acs.jmedchem.9b01835 | ||
| CHEMBL4584481 | 176622 | 1 | None | -245 | 5 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 471 | 11 | 2 | 2 | 6.2 | CCCN(CCCCNC(=O)c1cc2ccccc2[nH]1)CC1CC1c1ccc(C(F)(F)F)cc1 | 10.1021/acs.jmedchem.9b01835 | ||
| CHEMBL4598001 | 176622 | 1 | None | -245 | 5 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 471 | 11 | 2 | 2 | 6.2 | CCCN(CCCCNC(=O)c1cc2ccccc2[nH]1)CC1CC1c1ccc(C(F)(F)F)cc1 | 10.1021/acs.jmedchem.9b01835 | ||
| 130442480 | 175246 | 0 | None | 1 | 24 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 410 | 3 | 0 | 6 | 5.7 | Cc1ncc2nccn2c1-c1ccc(Oc2nccc3occc23)cc1C(F)(F)F | 10.1021/acs.jmedchem.9b00351 | ||
| CHEMBL4572614 | 175246 | 0 | None | 1 | 24 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 410 | 3 | 0 | 6 | 5.7 | Cc1ncc2nccn2c1-c1ccc(Oc2nccc3occc23)cc1C(F)(F)F | 10.1021/acs.jmedchem.9b00351 | ||
| 156011458 | 177280 | 0 | None | -1 | 2 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 347 | 2 | 2 | 3 | 3.4 | COc1cc2c(cc1O)C(c1ccccc1Br)CNCC2 | 10.1016/j.bmcl.2020.127305 | ||
| CHEMBL4636741 | 177280 | 0 | None | -1 | 2 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 347 | 2 | 2 | 3 | 3.4 | COc1cc2c(cc1O)C(c1ccccc1Br)CNCC2 | 10.1016/j.bmcl.2020.127305 | ||
| 11290269 | 13729 | 0 | None | - | 1 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 243 | 1 | 2 | 2 | 2.5 | N[C@@H]1Cc2cc(O)c(F)cc2[C@H]1c1ccccc1 | 10.1021/jm040889k | ||
| CHEMBL1195331 | 13729 | 0 | None | - | 1 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 243 | 1 | 2 | 2 | 2.5 | N[C@@H]1Cc2cc(O)c(F)cc2[C@H]1c1ccccc1 | 10.1021/jm040889k | ||
| CHEMBL554303 | 13729 | 0 | None | - | 1 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 243 | 1 | 2 | 2 | 2.5 | N[C@@H]1Cc2cc(O)c(F)cc2[C@H]1c1ccccc1 | 10.1021/jm040889k | ||
| 11153135 | 12785 | 0 | None | - | 1 | Human | 4.1 | pKi | = | 4.1 | Binding | ChEMBL | 341 | 7 | 0 | 2 | 5.0 | CCCN(CCC)[C@@H]1Cc2cc(OC)c(F)cc2[C@H]1c1ccccc1 | 10.1021/jm040889k | ||
| CHEMBL1188308 | 12785 | 0 | None | - | 1 | Human | 4.1 | pKi | = | 4.1 | Binding | ChEMBL | 341 | 7 | 0 | 2 | 5.0 | CCCN(CCC)[C@@H]1Cc2cc(OC)c(F)cc2[C@H]1c1ccccc1 | 10.1021/jm040889k | ||
| CHEMBL536044 | 12785 | 0 | None | - | 1 | Human | 4.1 | pKi | = | 4.1 | Binding | ChEMBL | 341 | 7 | 0 | 2 | 5.0 | CCCN(CCC)[C@@H]1Cc2cc(OC)c(F)cc2[C@H]1c1ccccc1 | 10.1021/jm040889k | ||
| 71062708 | 154282 | 0 | None | -48 | 12 | Mouse | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 368 | 7 | 0 | 5 | 2.8 | COc1cccc(OC[C@@H]2CN(CCN3CCc4ccccc43)CCO2)c1 | nan | ||
| CHEMBL3986651 | 154282 | 0 | None | -48 | 12 | Mouse | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 368 | 7 | 0 | 5 | 2.8 | COc1cccc(OC[C@@H]2CN(CCN3CCc4ccccc43)CCO2)c1 | nan | ||
| 57398351 | 70129 | 0 | None | -91 | 7 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 347 | 6 | 0 | 2 | 5.1 | Fc1ccc(OCCCN2CCC(c3ccc(Cl)cc3)CC2)cc1 | 10.1016/j.bmc.2014.04.026 | ||
| CHEMBL1940406 | 70129 | 0 | None | -91 | 7 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 347 | 6 | 0 | 2 | 5.1 | Fc1ccc(OCCCN2CCC(c3ccc(Cl)cc3)CC2)cc1 | 10.1016/j.bmc.2014.04.026 | ||
| 154725001 | 176623 | 1 | None | -562 | 6 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 448 | 11 | 1 | 2 | 6.5 | CCCN(CCCCNC(=O)c1ccc2ccccc2c1)CC1CC1c1cccc(Cl)c1 | 10.1021/acs.jmedchem.9b01835 | ||
| CHEMBL4525624 | 176623 | 1 | None | -562 | 6 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 448 | 11 | 1 | 2 | 6.5 | CCCN(CCCCNC(=O)c1ccc2ccccc2c1)CC1CC1c1cccc(Cl)c1 | 10.1021/acs.jmedchem.9b01835 | ||
| CHEMBL4598002 | 176623 | 1 | None | -562 | 6 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 448 | 11 | 1 | 2 | 6.5 | CCCN(CCCCNC(=O)c1ccc2ccccc2c1)CC1CC1c1cccc(Cl)c1 | 10.1021/acs.jmedchem.9b01835 | ||
| 154724650 | 176313 | 1 | None | -501 | 5 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 475 | 12 | 1 | 3 | 6.4 | CCCN(CCCCNC(=O)c1ccc(-c2ccccn2)cc1)CC1CC1c1ccc(Cl)cc1 | 10.1021/acs.jmedchem.9b01835 | ||
| CHEMBL4543870 | 176313 | 1 | None | -501 | 5 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 475 | 12 | 1 | 3 | 6.4 | CCCN(CCCCNC(=O)c1ccc(-c2ccccn2)cc1)CC1CC1c1ccc(Cl)cc1 | 10.1021/acs.jmedchem.9b01835 | ||
| CHEMBL4595492 | 176313 | 1 | None | -501 | 5 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 475 | 12 | 1 | 3 | 6.4 | CCCN(CCCCNC(=O)c1ccc(-c2ccccn2)cc1)CC1CC1c1ccc(Cl)cc1 | 10.1021/acs.jmedchem.9b01835 | ||
| 11439190 | 201282 | 0 | None | -31 | 4 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 338 | 0 | 1 | 3 | 3.9 | CN1CCc2cc(Cl)c(O)cc2[C@H]2c3cccc(C#N)c3CC[C@@H]21 | 10.1016/j.bmcl.2009.12.094 | ||
| CHEMBL604127 | 201282 | 0 | None | -31 | 4 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 338 | 0 | 1 | 3 | 3.9 | CN1CCc2cc(Cl)c(O)cc2[C@H]2c3cccc(C#N)c3CC[C@@H]21 | 10.1016/j.bmcl.2009.12.094 | ||
| 11631304 | 73347 | 0 | None | -1 | 2 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 330 | 2 | 1 | 1 | 4.6 | c1ccc2c(c1)CCN(CC1CC1)CCc1c([nH]c3ccccc13)C2 | 10.1021/jm050846j | ||
| CHEMBL201432 | 73347 | 0 | None | -1 | 2 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 330 | 2 | 1 | 1 | 4.6 | c1ccc2c(c1)CCN(CC1CC1)CCc1c([nH]c3ccccc13)C2 | 10.1021/jm050846j | ||
| 11976 | 917 | 59 | None | -8 | 24 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 315 | 3 | 0 | 2 | 5.2 | CN(C)CC/C=C\1/c2ccccc2Sc2c1cc(cc2)Cl | 10.1016/j.bmcl.2008.09.012 | ||
| 667467 | 917 | 59 | None | -8 | 24 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 315 | 3 | 0 | 2 | 5.2 | CN(C)CC/C=C\1/c2ccccc2Sc2c1cc(cc2)Cl | 10.1016/j.bmcl.2008.09.012 | ||
| CHEMBL908 | 917 | 59 | None | -8 | 24 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 315 | 3 | 0 | 2 | 5.2 | CN(C)CC/C=C\1/c2ccccc2Sc2c1cc(cc2)Cl | 10.1016/j.bmcl.2008.09.012 | ||
| DB01239 | 917 | 59 | None | -8 | 24 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 315 | 3 | 0 | 2 | 5.2 | CN(C)CC/C=C\1/c2ccccc2Sc2c1cc(cc2)Cl | 10.1016/j.bmcl.2008.09.012 | ||
| 440229 | 87482 | 53 | None | -1 | 5 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 341 | 3 | 1 | 5 | 3.1 | COc1cc2c(cc1O)[C@@H]1Cc3ccc(OC)c(OC)c3CN1CC2 | 10.1016/j.bmcl.2017.01.090 | ||
| CHEMBL2334891 | 87482 | 53 | None | -1 | 5 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 341 | 3 | 1 | 5 | 3.1 | COc1cc2c(cc1O)[C@@H]1Cc3ccc(OC)c(OC)c3CN1CC2 | 10.1016/j.bmcl.2017.01.090 | ||
| 17755867 | 86080 | 1 | None | -4 | 6 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 281 | 0 | 1 | 2 | 3.4 | CN1CCCc2ccccc2Cc2ccc(O)cc2CC1 | 10.1021/jm070388+ | ||
| CHEMBL231070 | 86080 | 1 | None | -4 | 6 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 281 | 0 | 1 | 2 | 3.4 | CN1CCCc2ccccc2Cc2ccc(O)cc2CC1 | 10.1021/jm070388+ | ||
| 135398745 | 2893 | 112 | None | -26 | 66 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | 10.1039/C5MD00258C | ||
| 47 | 2893 | 112 | None | -26 | 66 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | 10.1039/C5MD00258C | ||
| CHEMBL715 | 2893 | 112 | None | -26 | 66 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | 10.1039/C5MD00258C | ||
| DB00334 | 2893 | 112 | None | -26 | 66 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | 10.1039/C5MD00258C | ||
| 11221294 | 12748 | 0 | None | - | 1 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 297 | 4 | 1 | 2 | 3.7 | C=CCN(C)[C@@H]1Cc2cc(O)c(F)cc2[C@H]1c1ccccc1 | 10.1021/jm040889k | ||
| CHEMBL1187988 | 12748 | 0 | None | - | 1 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 297 | 4 | 1 | 2 | 3.7 | C=CCN(C)[C@@H]1Cc2cc(O)c(F)cc2[C@H]1c1ccccc1 | 10.1021/jm040889k | ||
| CHEMBL534706 | 12748 | 0 | None | - | 1 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 297 | 4 | 1 | 2 | 3.7 | C=CCN(C)[C@@H]1Cc2cc(O)c(F)cc2[C@H]1c1ccccc1 | 10.1021/jm040889k | ||
| 182600 | 118718 | 2 | None | -10 | 4 | Rat | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 352 | 5 | 0 | 3 | 3.9 | O=C(CCCN1CCN2c3ccccc3CCC2C1)c1ccc(F)cc1 | 10.1021/jm049031l | ||
| CHEMBL341774 | 118718 | 2 | None | -10 | 4 | Rat | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 352 | 5 | 0 | 3 | 3.9 | O=C(CCCN1CCN2c3ccccc3CCC2C1)c1ccc(F)cc1 | 10.1021/jm049031l | ||
| 56589561 | 70572 | 0 | None | 1 | 5 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 320 | 1 | 2 | 2 | 3.2 | CN1CCc2ccccc2Cc2[nH]c3ccccc3c2C[C@H]1CO | 10.1021/jm200676f | ||
| CHEMBL1949729 | 70572 | 0 | None | 1 | 5 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 320 | 1 | 2 | 2 | 3.2 | CN1CCc2ccccc2Cc2[nH]c3ccccc3c2C[C@H]1CO | 10.1021/jm200676f | ||
| 16090821 | 81804 | 0 | None | -21 | 6 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 304 | 0 | 1 | 1 | 4.2 | CN1CCCc2c([nH]c3ccccc23)Cc2ccccc2CC1 | 10.1021/jm060213k | ||
| CHEMBL216439 | 81804 | 0 | None | -21 | 6 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 304 | 0 | 1 | 1 | 4.2 | CN1CCCc2c([nH]c3ccccc23)Cc2ccccc2CC1 | 10.1021/jm060213k | ||
| 135986088 | 178091 | 0 | None | -275 | 6 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 543 | 7 | 1 | 6 | 6.5 | Clc1ccc2c(c1)N=C(N1CCN(Cc3ccc(OCCCN4CCCCC4)cc3)CC1)c1ccccc1N2 | 10.1016/j.bmcl.2008.09.012 | ||
| CHEMBL464811 | 178091 | 0 | None | -275 | 6 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 543 | 7 | 1 | 6 | 6.5 | Clc1ccc2c(c1)N=C(N1CCN(Cc3ccc(OCCCN4CCCCC4)cc3)CC1)c1ccccc1N2 | 10.1016/j.bmcl.2008.09.012 | ||
| 154727713 | 176340 | 1 | None | -10 | 5 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 426 | 10 | 1 | 6 | 4.5 | COc1ccc(F)cc1C1CC1CNCCCSc1nnc(-c2ccccc2)n1C | 10.1021/acs.jmedchem.9b01835 | ||
| CHEMBL4514586 | 176340 | 1 | None | -10 | 5 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 426 | 10 | 1 | 6 | 4.5 | COc1ccc(F)cc1C1CC1CNCCCSc1nnc(-c2ccccc2)n1C | 10.1021/acs.jmedchem.9b01835 | ||
| CHEMBL4595727 | 176340 | 1 | None | -10 | 5 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 426 | 10 | 1 | 6 | 4.5 | COc1ccc(F)cc1C1CC1CNCCCSc1nnc(-c2ccccc2)n1C | 10.1021/acs.jmedchem.9b01835 | ||
| 154725277 | 176408 | 1 | None | -363 | 6 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 437 | 11 | 2 | 2 | 5.8 | CCCN(CCCCNC(=O)c1cc2ccccc2[nH]1)CC1CC1c1ccc(Cl)cc1 | 10.1021/acs.jmedchem.9b01835 | ||
| CHEMBL4472900 | 176408 | 1 | None | -363 | 6 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 437 | 11 | 2 | 2 | 5.8 | CCCN(CCCCNC(=O)c1cc2ccccc2[nH]1)CC1CC1c1ccc(Cl)cc1 | 10.1021/acs.jmedchem.9b01835 | ||
| CHEMBL4596220 | 176408 | 1 | None | -363 | 6 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 437 | 11 | 2 | 2 | 5.8 | CCCN(CCCCNC(=O)c1cc2ccccc2[nH]1)CC1CC1c1ccc(Cl)cc1 | 10.1021/acs.jmedchem.9b01835 | ||
| 137645574 | 157779 | 0 | None | -9999 | 6 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 462 | 7 | 3 | 6 | 3.1 | O=C1CCc2ccc(OCCCCN3CCN(c4ccc(O)c5[nH]c(=O)ccc45)CC3)cc2N1 | 10.1021/acs.jmedchem.7b00363 | ||
| CHEMBL4083239 | 157779 | 0 | None | -9999 | 6 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 462 | 7 | 3 | 6 | 3.1 | O=C1CCc2ccc(OCCCCN3CCN(c4ccc(O)c5[nH]c(=O)ccc45)CC3)cc2N1 | 10.1021/acs.jmedchem.7b00363 | ||
| 11698643 | 3603 | 11 | None | -181 | 4 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 479 | 6 | 0 | 4 | 6.0 | O=C1C(=Nc2cccc(c2)C(F)(F)F)c2c(N1c1cccc(c1)OCCN1CCCC1)cccc2 | 10.1016/j.bmcl.2006.05.025 | ||
| 6125 | 3603 | 11 | None | -181 | 4 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 479 | 6 | 0 | 4 | 6.0 | O=C1C(=Nc2cccc(c2)C(F)(F)F)c2c(N1c1cccc(c1)OCCN1CCCC1)cccc2 | 10.1016/j.bmcl.2006.05.025 | ||
| CHEMBL209497 | 3603 | 11 | None | -181 | 4 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 479 | 6 | 0 | 4 | 6.0 | O=C1C(=Nc2cccc(c2)C(F)(F)F)c2c(N1c1cccc(c1)OCCN1CCCC1)cccc2 | 10.1016/j.bmcl.2006.05.025 | ||
| 17755868 | 143093 | 1 | None | -1 | 5 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 295 | 0 | 1 | 2 | 3.8 | CN1CCCc2ccccc2Cc2ccc(O)cc2CCC1 | 10.1021/jm070388+ | ||
| CHEMBL389559 | 143093 | 1 | None | -1 | 5 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 295 | 0 | 1 | 2 | 3.8 | CN1CCCc2ccccc2Cc2ccc(O)cc2CCC1 | 10.1021/jm070388+ | ||
| 44396235 | 168513 | 1 | None | -60 | 5 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 281 | 6 | 0 | 2 | 3.8 | c1ccc(Cc2ccccc2OCCN2CCCC2)cc1 | 10.1021/jm049720x | ||
| CHEMBL435505 | 168513 | 1 | None | -60 | 5 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 281 | 6 | 0 | 2 | 3.8 | c1ccc(Cc2ccccc2OCCN2CCCC2)cc1 | 10.1021/jm049720x | ||
| 145968810 | 165014 | 0 | None | -33 | 6 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 381 | 8 | 2 | 4 | 3.5 | CN(C)c1ccc(C(=O)NCCCCN2CCC(c3cccc(O)c3)C2)cc1 | 10.1016/j.bmcl.2018.03.084 | ||
| CHEMBL4226226 | 165014 | 0 | None | -33 | 6 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 381 | 8 | 2 | 4 | 3.5 | CN(C)c1ccc(C(=O)NCCCCN2CCC(c3cccc(O)c3)C2)cc1 | 10.1016/j.bmcl.2018.03.084 | ||
| 11450584 | 12768 | 0 | None | - | 1 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 257 | 2 | 2 | 2 | 2.8 | CN[C@@H]1Cc2cc(F)c(O)cc2[C@H]1c1ccccc1 | 10.1021/jm040889k | ||
| CHEMBL1188142 | 12768 | 0 | None | - | 1 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 257 | 2 | 2 | 2 | 2.8 | CN[C@@H]1Cc2cc(F)c(O)cc2[C@H]1c1ccccc1 | 10.1021/jm040889k | ||
| CHEMBL535374 | 12768 | 0 | None | - | 1 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 257 | 2 | 2 | 2 | 2.8 | CN[C@@H]1Cc2cc(F)c(O)cc2[C@H]1c1ccccc1 | 10.1021/jm040889k | ||
| 11151473 | 13899 | 0 | None | - | 1 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 243 | 1 | 2 | 2 | 2.5 | N[C@@H]1Cc2cc(F)c(O)cc2[C@H]1c1ccccc1 | 10.1021/jm040889k | ||
| CHEMBL1196485 | 13899 | 0 | None | - | 1 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 243 | 1 | 2 | 2 | 2.5 | N[C@@H]1Cc2cc(F)c(O)cc2[C@H]1c1ccccc1 | 10.1021/jm040889k | ||
| CHEMBL557171 | 13899 | 0 | None | - | 1 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 243 | 1 | 2 | 2 | 2.5 | N[C@@H]1Cc2cc(F)c(O)cc2[C@H]1c1ccccc1 | 10.1021/jm040889k | ||
| 76328715 | 106345 | 0 | None | -1047 | 4 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 429 | 9 | 2 | 6 | 2.8 | Oc1ccc2c(c1)O[C@@H](CNCCN1CCN(c3ccc(OCCF)cc3)CC1)CC2 | 10.1021/jm401384w | ||
| CHEMBL3115582 | 106345 | 0 | None | -1047 | 4 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 429 | 9 | 2 | 6 | 2.8 | Oc1ccc2c(c1)O[C@@H](CNCCN1CCN(c3ccc(OCCF)cc3)CC1)CC2 | 10.1021/jm401384w | ||
| CHEMBL3139265 | 106345 | 0 | None | -1047 | 4 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 429 | 9 | 2 | 6 | 2.8 | Oc1ccc2c(c1)O[C@@H](CNCCN1CCN(c3ccc(OCCF)cc3)CC1)CC2 | 10.1021/jm401384w | ||
| 49783209 | 17577 | 0 | None | -1698 | 27 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 396 | 7 | 1 | 6 | 3.8 | CCCCN1CCC(COC(=O)c2cc(Cl)c(NC)c3c2OCCO3)CC1 | 10.1021/jm100668r | ||
| CHEMBL1258223 | 17577 | 0 | None | -1698 | 27 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 396 | 7 | 1 | 6 | 3.8 | CCCCN1CCC(COC(=O)c2cc(Cl)c(NC)c3c2OCCO3)CC1 | 10.1021/jm100668r | ||
| 76328715 | 106345 | 0 | None | -1047 | 4 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 429 | 9 | 2 | 6 | 2.8 | Oc1ccc2c(c1)O[C@@H](CNCCN1CCN(c3ccc(OCCF)cc3)CC1)CC2 | 10.1021/jm401384w | ||
| CHEMBL3115582 | 106345 | 0 | None | -1047 | 4 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 429 | 9 | 2 | 6 | 2.8 | Oc1ccc2c(c1)O[C@@H](CNCCN1CCN(c3ccc(OCCF)cc3)CC1)CC2 | 10.1021/jm401384w | ||
| CHEMBL3139265 | 106345 | 0 | None | -1047 | 4 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 429 | 9 | 2 | 6 | 2.8 | Oc1ccc2c(c1)O[C@@H](CNCCN1CCN(c3ccc(OCCF)cc3)CC1)CC2 | 10.1021/jm401384w | ||
| 5018 | 3523 | 13 | None | -2 | 10 | Human | 9.2 | pKd | = | 9.2 | Binding | Guide to Pharmacology | 287 | 1 | 1 | 2 | 3.7 | CN1CCc2c(C(C1)c1ccccc1)cc(c(c2)Cl)O | 8051291 | ||
| 943 | 3523 | 13 | None | -2 | 10 | Human | 9.2 | pKd | = | 9.2 | Binding | Guide to Pharmacology | 287 | 1 | 1 | 2 | 3.7 | CN1CCc2c(C(C1)c1ccccc1)cc(c(c2)Cl)O | 8051291 | ||
| 946 | 3523 | 13 | None | -2 | 10 | Human | 9.2 | pKd | = | 9.2 | Binding | Guide to Pharmacology | 287 | 1 | 1 | 2 | 3.7 | CN1CCc2c(C(C1)c1ccccc1)cc(c(c2)Cl)O | 8051291 | ||
| CHEMBL13668 | 3523 | 13 | None | -2 | 10 | Human | 9.2 | pKd | = | 9.2 | Binding | Guide to Pharmacology | 287 | 1 | 1 | 2 | 3.7 | CN1CCc2c(C(C1)c1ccccc1)cc(c(c2)Cl)O | 8051291 | ||
| 3036864 | 202731 | 19 | 3H-SCH23390 | -3 | 28 | Human | 9.5 | pKi | = | 9.5 | Binding | PDSP KiDatabase | 287 | 1 | 1 | 2 | 3.7 | CN1CCc2cc(Cl)c(O)cc2[C@@H](c2ccccc2)C1 | None | ||
| CHEMBL1256645 | 202731 | 19 | 3H-SCH23390 | -3 | 28 | Human | 9.5 | pKi | = | 9.5 | Binding | PDSP KiDatabase | 287 | 1 | 1 | 2 | 3.7 | CN1CCc2cc(Cl)c(O)cc2[C@@H](c2ccccc2)C1 | None | ||
| CHEMBL1814790 | 202731 | 19 | 3H-SCH23390 | -3 | 28 | Human | 9.5 | pKi | = | 9.5 | Binding | PDSP KiDatabase | 287 | 1 | 1 | 2 | 3.7 | CN1CCc2cc(Cl)c(O)cc2[C@@H](c2ccccc2)C1 | None | ||
| CHEMBL62 | 202731 | 19 | 3H-SCH23390 | -3 | 28 | Human | 9.5 | pKi | = | 9.5 | Binding | PDSP KiDatabase | 287 | 1 | 1 | 2 | 3.7 | CN1CCc2cc(Cl)c(O)cc2[C@@H](c2ccccc2)C1 | None | ||
| 1243 | 3591 | 34 | 3H-SCH23390 | -3 | 5 | Human | 9.4 | pKi | = | 9.4 | Binding | PDSP KiDatabase | 331 | 1 | 1 | 2 | 3.8 | CN1CCc2c(C(C1)c1ccccc1)cc(c(c2)Br)O | None | ||
| 944 | 3591 | 34 | 3H-SCH23390 | -3 | 5 | Human | 9.4 | pKi | = | 9.4 | Binding | PDSP KiDatabase | 331 | 1 | 1 | 2 | 3.8 | CN1CCc2c(C(C1)c1ccccc1)cc(c(c2)Br)O | None | ||
| CHEMBL324017 | 3591 | 34 | 3H-SCH23390 | -3 | 5 | Human | 9.4 | pKi | = | 9.4 | Binding | PDSP KiDatabase | 331 | 1 | 1 | 2 | 3.8 | CN1CCc2c(C(C1)c1ccccc1)cc(c(c2)Br)O | None | ||
| 3036864 | 202731 | 19 | 3H-SCH23390 | -2 | 28 | Rat | 9.3 | pKi | = | 9.3 | Binding | PDSP KiDatabase | 287 | 1 | 1 | 2 | 3.7 | CN1CCc2cc(Cl)c(O)cc2[C@@H](c2ccccc2)C1 | None | ||
| CHEMBL1256645 | 202731 | 19 | 3H-SCH23390 | -2 | 28 | Rat | 9.3 | pKi | = | 9.3 | Binding | PDSP KiDatabase | 287 | 1 | 1 | 2 | 3.7 | CN1CCc2cc(Cl)c(O)cc2[C@@H](c2ccccc2)C1 | None | ||
| CHEMBL1814790 | 202731 | 19 | 3H-SCH23390 | -2 | 28 | Rat | 9.3 | pKi | = | 9.3 | Binding | PDSP KiDatabase | 287 | 1 | 1 | 2 | 3.7 | CN1CCc2cc(Cl)c(O)cc2[C@@H](c2ccccc2)C1 | None | ||
| CHEMBL62 | 202731 | 19 | 3H-SCH23390 | -2 | 28 | Rat | 9.3 | pKi | = | 9.3 | Binding | PDSP KiDatabase | 287 | 1 | 1 | 2 | 3.7 | CN1CCc2cc(Cl)c(O)cc2[C@@H](c2ccccc2)C1 | None | ||
| 3036864 | 202731 | 19 | 3H-SCH23390 | -2 | 28 | Rat | 9.0 | pKi | = | 9 | Binding | PDSP KiDatabase | 287 | 1 | 1 | 2 | 3.7 | CN1CCc2cc(Cl)c(O)cc2[C@@H](c2ccccc2)C1 | None | ||
| CHEMBL1256645 | 202731 | 19 | 3H-SCH23390 | -2 | 28 | Rat | 9.0 | pKi | = | 9 | Binding | PDSP KiDatabase | 287 | 1 | 1 | 2 | 3.7 | CN1CCc2cc(Cl)c(O)cc2[C@@H](c2ccccc2)C1 | None | ||
| CHEMBL1814790 | 202731 | 19 | 3H-SCH23390 | -2 | 28 | Rat | 9.0 | pKi | = | 9 | Binding | PDSP KiDatabase | 287 | 1 | 1 | 2 | 3.7 | CN1CCc2cc(Cl)c(O)cc2[C@@H](c2ccccc2)C1 | None | ||
| CHEMBL62 | 202731 | 19 | 3H-SCH23390 | -2 | 28 | Rat | 9.0 | pKi | = | 9 | Binding | PDSP KiDatabase | 287 | 1 | 1 | 2 | 3.7 | CN1CCc2cc(Cl)c(O)cc2[C@@H](c2ccccc2)C1 | None | ||
| 1242 | 3586 | 27 | 3H-SCH23390 | -6 | 18 | Human | 7.0 | pKi | = | 7 | Binding | PDSP KiDatabase | 255 | 1 | 3 | 3 | 2.4 | Oc1cc2CCNCC(c2cc1O)c1ccccc1 | None | ||
| 935 | 3586 | 27 | 3H-SCH23390 | -6 | 18 | Human | 7.0 | pKi | = | 7 | Binding | PDSP KiDatabase | 255 | 1 | 3 | 3 | 2.4 | Oc1cc2CCNCC(c2cc1O)c1ccccc1 | None | ||
| CHEMBL286080 | 3586 | 27 | 3H-SCH23390 | -6 | 18 | Human | 7.0 | pKi | = | 7 | Binding | PDSP KiDatabase | 255 | 1 | 3 | 3 | 2.4 | Oc1cc2CCNCC(c2cc1O)c1ccccc1 | None | ||
| 24840389 | 115187 | 4 | 3H-SCH23390 | -741 | 16 | Human | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 415 | 9 | 0 | 4 | 4.6 | CCCN(CCC)C1CCc2cc(CS(=O)(=O)c3ccc(OC)cc3)ccc2C1 | None | ||
| CHEMBL334529 | 115187 | 4 | 3H-SCH23390 | -741 | 16 | Human | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 415 | 9 | 0 | 4 | 4.6 | CCCN(CCC)C1CCc2cc(CS(=O)(=O)c3ccc(OC)cc3)ccc2C1 | None | ||
| 44591012 | 175556 | 0 | UNDEFINED | -204 | 6 | Human | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 522 | 10 | 0 | 3 | 6.6 | CN(CCC=C1c2ccccc2CCc2ccccc21)C(=O)Cc1ccc(OCCCN2CCCCC2)cc1 | None | ||
| CHEMBL457957 | 175556 | 0 | UNDEFINED | -204 | 6 | Human | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 522 | 10 | 0 | 3 | 6.6 | CN(CCC=C1c2ccccc2CCc2ccccc21)C(=O)Cc1ccc(OCCCN2CCCCC2)cc1 | None | ||
| 44591098 | 176738 | 0 | UNDEFINED | -288 | 6 | Human | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 508 | 9 | 0 | 3 | 6.6 | CN(CCC=C1c2ccccc2CCc2ccccc21)C(=O)c1ccc(OCCCN2CCCCC2)cc1 | None | ||
| CHEMBL460402 | 176738 | 0 | UNDEFINED | -288 | 6 | Human | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 508 | 9 | 0 | 3 | 6.6 | CN(CCC=C1c2ccccc2CCc2ccccc21)C(=O)c1ccc(OCCCN2CCCCC2)cc1 | None | ||
| 3075702 | 217305 | 0 | 3H-SCH23390 | -2 | 37 | Human | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 198 | 3 | 1 | 3 | 1.5 | C1CNC1COC2=CN=C(C=C2)Cl | None | ||
| 179 | 399 | 115 | 3H-SCH23390 | -4365 | 51 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 369 | 7 | 2 | 6 | 1.3 | CCN1CCCC1CNC(=O)c1cc(c(cc1OC)N)S(=O)(=O)CC | None | ||
| 2159 | 399 | 115 | 3H-SCH23390 | -4365 | 51 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 369 | 7 | 2 | 6 | 1.3 | CCN1CCCC1CNC(=O)c1cc(c(cc1OC)N)S(=O)(=O)CC | None | ||
| 963 | 399 | 115 | 3H-SCH23390 | -4365 | 51 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 369 | 7 | 2 | 6 | 1.3 | CCN1CCCC1CNC(=O)c1cc(c(cc1OC)N)S(=O)(=O)CC | None | ||
| CHEMBL243712 | 399 | 115 | 3H-SCH23390 | -4365 | 51 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 369 | 7 | 2 | 6 | 1.3 | CCN1CCCC1CNC(=O)c1cc(c(cc1OC)N)S(=O)(=O)CC | None | ||
| DB06288 | 399 | 115 | 3H-SCH23390 | -4365 | 51 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 369 | 7 | 2 | 6 | 1.3 | CCN1CCCC1CNC(=O)c1cc(c(cc1OC)N)S(=O)(=O)CC | None | ||
| 119192 | 2464 | 54 | 3H-SCH23390 | -2818 | 9 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 586 | 7 | 2 | 7 | 5.8 | COc1cccc(c1c1cc(nn1c1ccnc2c1ccc(c2)Cl)C(=O)NC1(C(=O)O)C2CC3CC1CC(C2)C3)OC | None | ||
| 1582 | 2464 | 54 | 3H-SCH23390 | -2818 | 9 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 586 | 7 | 2 | 7 | 5.8 | COc1cccc(c1c1cc(nn1c1ccnc2c1ccc(c2)Cl)C(=O)NC1(C(=O)O)C2CC3CC1CC(C2)C3)OC | None | ||
| CHEMBL506981 | 2464 | 54 | 3H-SCH23390 | -2818 | 9 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 586 | 7 | 2 | 7 | 5.8 | COc1cccc(c1c1cc(nn1c1ccnc2c1ccc(c2)Cl)C(=O)NC1(C(=O)O)C2CC3CC1CC(C2)C3)OC | None | ||
| DB06455 | 2464 | 54 | 3H-SCH23390 | -2818 | 9 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 586 | 7 | 2 | 7 | 5.8 | COc1cccc(c1c1cc(nn1c1ccnc2c1ccc(c2)Cl)C(=O)NC1(C(=O)O)C2CC3CC1CC(C2)C3)OC | None | ||
| 134 | 2497 | 24 | 3H-SCH23390 | -8511 | 68 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 353 | 4 | 2 | 4 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)cn3C)CO | None | ||
| 1775 | 2497 | 24 | 3H-SCH23390 | -8511 | 68 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 353 | 4 | 2 | 4 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)cn3C)CO | None | ||
| 9681 | 2497 | 24 | 3H-SCH23390 | -8511 | 68 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 353 | 4 | 2 | 4 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)cn3C)CO | None | ||
| CHEMBL1065 | 2497 | 24 | 3H-SCH23390 | -8511 | 68 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 353 | 4 | 2 | 4 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)cn3C)CO | None | ||
| DB00247 | 2497 | 24 | 3H-SCH23390 | -8511 | 68 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 353 | 4 | 2 | 4 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)cn3C)CO | None | ||
| 484 | 2837 | 51 | 3H-SCH23390 | -112 | 36 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 169 | 2 | 4 | 4 | 0.1 | NCC(c1ccc(c(c1)O)O)O | None | ||
| 951 | 2837 | 51 | 3H-SCH23390 | -112 | 36 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 169 | 2 | 4 | 4 | 0.1 | NCC(c1ccc(c(c1)O)O)O | None | ||
| CHEMBL432 | 2837 | 51 | 3H-SCH23390 | -112 | 36 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 169 | 2 | 4 | 4 | 0.1 | NCC(c1ccc(c(c1)O)O)O | None | ||
| 15897 | 2840 | 0 | 3H-SCH23390 | -354 | 37 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 203 | 2 | 1 | 1 | 2.6 | CC(Cc1cccc(c1)C(F)(F)F)N | None | ||
| 215 | 2840 | 0 | 3H-SCH23390 | -354 | 37 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 203 | 2 | 1 | 1 | 2.6 | CC(Cc1cccc(c1)C(F)(F)F)N | None | ||
| CHEMBL1979333 | 2840 | 0 | 3H-SCH23390 | -354 | 37 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 203 | 2 | 1 | 1 | 2.6 | CC(Cc1cccc(c1)C(F)(F)F)N | None | ||
| 163839 | 2934 | 0 | 3H-SCH23390 | -562 | 7 | Rat | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 391 | 6 | 1 | 4 | 3.7 | Cc1cccc(c1C)N1CCN(CC1)CCCOc1ccc2c(c1)[nH]c(=O)cc2 | None | ||
| 268 | 2934 | 0 | 3H-SCH23390 | -562 | 7 | Rat | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 391 | 6 | 1 | 4 | 3.7 | Cc1cccc(c1C)N1CCN(CC1)CCCOc1ccc2c(c1)[nH]c(=O)cc2 | None | ||
| CHEMBL55171 | 2934 | 0 | 3H-SCH23390 | -562 | 7 | Rat | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 391 | 6 | 1 | 4 | 3.7 | Cc1cccc(c1C)N1CCN(CC1)CCCOc1ccc2c(c1)[nH]c(=O)cc2 | None | ||
| 2202 | 3110 | 96 | 3H-SCH23390 | -316 | 21 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 298 | 3 | 0 | 6 | 1.5 | c1cnc(nc1)N1CCN(CC1)Cc1ccc2c(c1)OCO2 | None | ||
| 4850 | 3110 | 96 | 3H-SCH23390 | -316 | 21 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 298 | 3 | 0 | 6 | 1.5 | c1cnc(nc1)N1CCN(CC1)Cc1ccc2c(c1)OCO2 | None | ||
| 49 | 3110 | 96 | 3H-SCH23390 | -316 | 21 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 298 | 3 | 0 | 6 | 1.5 | c1cnc(nc1)N1CCN(CC1)Cc1ccc2c(c1)OCO2 | None | ||
| CHEMBL1371770 | 3110 | 96 | 3H-SCH23390 | -316 | 21 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 298 | 3 | 0 | 6 | 1.5 | c1cnc(nc1)N1CCN(CC1)Cc1ccc2c(c1)OCO2 | None | ||
| DB12478 | 3110 | 96 | 3H-SCH23390 | -316 | 21 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 298 | 3 | 0 | 6 | 1.5 | c1cnc(nc1)N1CCN(CC1)Cc1ccc2c(c1)OCO2 | None | ||
| 119570 | 3137 | 96 | 3H-SCH23390 | -7585 | 40 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 211 | 3 | 2 | 4 | 1.6 | CCCN[C@H]1CCc2c(C1)sc(n2)N | None | ||
| 2233 | 3137 | 96 | 3H-SCH23390 | -7585 | 40 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 211 | 3 | 2 | 4 | 1.6 | CCCN[C@H]1CCc2c(C1)sc(n2)N | None | ||
| 953 | 3137 | 96 | 3H-SCH23390 | -7585 | 40 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 211 | 3 | 2 | 4 | 1.6 | CCCN[C@H]1CCc2c(C1)sc(n2)N | None | ||
| CHEMBL301265 | 3137 | 96 | 3H-SCH23390 | -7585 | 40 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 211 | 3 | 2 | 4 | 1.6 | CCCN[C@H]1CCc2c(C1)sc(n2)N | None | ||
| DB00413 | 3137 | 96 | 3H-SCH23390 | -7585 | 40 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 211 | 3 | 2 | 4 | 1.6 | CCCN[C@H]1CCc2c(C1)sc(n2)N | None | ||
| 2 | 3237 | 23 | 3H-SCH23390 | -2089 | 29 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 219 | 2 | 1 | 2 | 2.0 | CCCN1CCC[C@H]2[C@H]1Cc1cn[nH]c1C2 | None | ||
| 54562 | 3237 | 23 | 3H-SCH23390 | -2089 | 29 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 219 | 2 | 1 | 2 | 2.0 | CCCN1CCC[C@H]2[C@H]1Cc1cn[nH]c1C2 | None | ||
| CHEMBL240773 | 3237 | 23 | 3H-SCH23390 | -2089 | 29 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 219 | 2 | 1 | 2 | 2.0 | CCCN1CCC[C@H]2[C@H]1Cc1cn[nH]c1C2 | None | ||
| 2402 | 3345 | 62 | 3H-SCH23390 | -81 | 25 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 260 | 7 | 1 | 2 | 3.5 | CCCN(CCC)CCc1cccc2c1CC(=N2)O | None | ||
| 5095 | 3345 | 62 | 3H-SCH23390 | -81 | 25 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 260 | 7 | 1 | 2 | 3.5 | CCCN(CCC)CCc1cccc2c1CC(=N2)O | None | ||
| 7295 | 3345 | 62 | 3H-SCH23390 | -81 | 25 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 260 | 7 | 1 | 2 | 3.5 | CCCN(CCC)CCc1cccc2c1CC(=N2)O | None | ||
| CHEMBL589 | 3345 | 62 | 3H-SCH23390 | -81 | 25 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 260 | 7 | 1 | 2 | 3.5 | CCCN(CCC)CCc1cccc2c1CC(=N2)O | None | ||
| DB00268 | 3345 | 62 | 3H-SCH23390 | -81 | 25 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 260 | 7 | 1 | 2 | 3.5 | CCCN(CCC)CCc1cccc2c1CC(=N2)O | None | ||
| 128563 | 3438 | 33 | 3H-SCH23390 | -2398 | 42 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 432 | 3 | 0 | 8 | 3.0 | COC(=O)[C@@H]1C[C@H](OC(=O)C)C(=O)[C@H]2[C@@]1(C)CC[C@@H]1[C@]2(C)C[C@H](OC1=O)c1cocc1 | None | ||
| 1666 | 3438 | 33 | 3H-SCH23390 | -2398 | 42 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 432 | 3 | 0 | 8 | 3.0 | COC(=O)[C@@H]1C[C@H](OC(=O)C)C(=O)[C@H]2[C@@]1(C)CC[C@@H]1[C@]2(C)C[C@H](OC1=O)c1cocc1 | None | ||
| CHEMBL445332 | 3438 | 33 | 3H-SCH23390 | -2398 | 42 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 432 | 3 | 0 | 8 | 3.0 | COC(=O)[C@@H]1C[C@H](OC(=O)C)C(=O)[C@H]2[C@@]1(C)CC[C@@H]1[C@]2(C)C[C@H](OC1=O)c1cocc1 | None | ||
| DB12327 | 3438 | 33 | 3H-SCH23390 | -2398 | 42 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 432 | 3 | 0 | 8 | 3.0 | COC(=O)[C@@H]1C[C@H](OC(=O)C)C(=O)[C@H]2[C@@]1(C)CC[C@@H]1[C@]2(C)C[C@H](OC1=O)c1cocc1 | None | ||
| 1577 | 3677 | 110 | 3H-SCH23390 | -389 | 26 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 341 | 6 | 2 | 5 | 0.6 | CCN1CCCC1CNC(=O)c1cc(ccc1OC)S(=O)(=O)N | None | ||
| 164512405 | 3677 | 110 | 3H-SCH23390 | -389 | 26 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 341 | 6 | 2 | 5 | 0.6 | CCN1CCCC1CNC(=O)c1cc(ccc1OC)S(=O)(=O)N | None | ||
| 2537 | 3677 | 110 | 3H-SCH23390 | -389 | 26 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 341 | 6 | 2 | 5 | 0.6 | CCN1CCCC1CNC(=O)c1cc(ccc1OC)S(=O)(=O)N | None | ||
| 5355 | 3677 | 110 | 3H-SCH23390 | -389 | 26 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 341 | 6 | 2 | 5 | 0.6 | CCN1CCCC1CNC(=O)c1cc(ccc1OC)S(=O)(=O)N | None | ||
| 5501 | 3677 | 110 | 3H-SCH23390 | -389 | 26 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 341 | 6 | 2 | 5 | 0.6 | CCN1CCCC1CNC(=O)c1cc(ccc1OC)S(=O)(=O)N | None | ||
| 643497 | 3677 | 110 | 3H-SCH23390 | -389 | 26 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 341 | 6 | 2 | 5 | 0.6 | CCN1CCCC1CNC(=O)c1cc(ccc1OC)S(=O)(=O)N | None | ||
| 688272 | 3677 | 110 | 3H-SCH23390 | -389 | 26 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 341 | 6 | 2 | 5 | 0.6 | CCN1CCCC1CNC(=O)c1cc(ccc1OC)S(=O)(=O)N | None | ||
| 958 | 3677 | 110 | 3H-SCH23390 | -389 | 26 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 341 | 6 | 2 | 5 | 0.6 | CCN1CCCC1CNC(=O)c1cc(ccc1OC)S(=O)(=O)N | None | ||
| 960 | 3677 | 110 | 3H-SCH23390 | -389 | 26 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 341 | 6 | 2 | 5 | 0.6 | CCN1CCCC1CNC(=O)c1cc(ccc1OC)S(=O)(=O)N | None | ||
| CHEMBL196677 | 3677 | 110 | 3H-SCH23390 | -389 | 26 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 341 | 6 | 2 | 5 | 0.6 | CCN1CCCC1CNC(=O)c1cc(ccc1OC)S(=O)(=O)N | None | ||
| CHEMBL26 | 3677 | 110 | 3H-SCH23390 | -389 | 26 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 341 | 6 | 2 | 5 | 0.6 | CCN1CCCC1CNC(=O)c1cc(ccc1OC)S(=O)(=O)N | None | ||
| CHEMBL267044 | 3677 | 110 | 3H-SCH23390 | -389 | 26 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 341 | 6 | 2 | 5 | 0.6 | CCN1CCCC1CNC(=O)c1cc(ccc1OC)S(=O)(=O)N | None | ||
| DB00391 | 3677 | 110 | 3H-SCH23390 | -389 | 26 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 341 | 6 | 2 | 5 | 0.6 | CCN1CCCC1CNC(=O)c1cc(ccc1OC)S(=O)(=O)N | None | ||
| DB16021 | 3677 | 110 | 3H-SCH23390 | -389 | 26 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 341 | 6 | 2 | 5 | 0.6 | CCN1CCCC1CNC(=O)c1cc(ccc1OC)S(=O)(=O)N | None | ||
| 213 | 3824 | 55 | 3H-SCH23390 | -912 | 44 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 371 | 5 | 0 | 6 | 2.4 | Clc1cccc(c1)N1CCN(CC1)CCCn1nc2n(c1=O)cccc2 | None | ||
| 2717 | 3824 | 55 | 3H-SCH23390 | -912 | 44 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 371 | 5 | 0 | 6 | 2.4 | Clc1cccc(c1)N1CCN(CC1)CCCn1nc2n(c1=O)cccc2 | None | ||
| 5533 | 3824 | 55 | 3H-SCH23390 | -912 | 44 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 371 | 5 | 0 | 6 | 2.4 | Clc1cccc(c1)N1CCN(CC1)CCCn1nc2n(c1=O)cccc2 | None | ||
| CHEMBL621 | 3824 | 55 | 3H-SCH23390 | -912 | 44 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 371 | 5 | 0 | 6 | 2.4 | Clc1cccc(c1)N1CCN(CC1)CCCn1nc2n(c1=O)cccc2 | None | ||
| DB00656 | 3824 | 55 | 3H-SCH23390 | -912 | 44 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 371 | 5 | 0 | 6 | 2.4 | Clc1cccc(c1)N1CCN(CC1)CCCn1nc2n(c1=O)cccc2 | None | ||
| 185 | 3975 | 60 | 3H-SCH23390 | -30902 | 38 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 373 | 7 | 1 | 4 | 3.8 | COc1cccc(c1OC)[C@@H](C1CCN(CC1)CCc1ccc(cc1)F)O | None | ||
| 5311271 | 3975 | 60 | 3H-SCH23390 | -30902 | 38 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 373 | 7 | 1 | 4 | 3.8 | COc1cccc(c1OC)[C@@H](C1CCN(CC1)CCc1ccc(cc1)F)O | None | ||
| CHEMBL74355 | 3975 | 60 | 3H-SCH23390 | -30902 | 38 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 373 | 7 | 1 | 4 | 3.8 | COc1cccc(c1OC)[C@@H](C1CCN(CC1)CCc1ccc(cc1)F)O | None | ||
| DB16351 | 3975 | 60 | 3H-SCH23390 | -30902 | 38 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 373 | 7 | 1 | 4 | 3.8 | COc1cccc(c1OC)[C@@H](C1CCN(CC1)CCc1ccc(cc1)F)O | None | ||
| 2662 | 11352 | 131 | 3H-SCH23390 | -41 | 31 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 381 | 3 | 1 | 4 | 3.5 | Cc1ccc(-c2cc(C(F)(F)F)nn2-c2ccc(S(N)(=O)=O)cc2)cc1 | None | ||
| CHEMBL118 | 11352 | 131 | 3H-SCH23390 | -41 | 31 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 381 | 3 | 1 | 4 | 3.5 | Cc1ccc(-c2cc(C(F)(F)F)nn2-c2ccc(S(N)(=O)=O)cc2)cc1 | None | ||
| 5090 | 15529 | 106 | 3H-SCH23390 | -1348 | 31 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 314 | 3 | 0 | 4 | 2.6 | CS(=O)(=O)c1ccc(C2=C(c3ccccc3)C(=O)OC2)cc1 | None | ||
| CHEMBL122 | 15529 | 106 | 3H-SCH23390 | -1348 | 31 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 314 | 3 | 0 | 4 | 2.6 | CS(=O)(=O)c1ccc(C2=C(c3ccccc3)C(=O)OC2)cc1 | None | ||
| 10297 | 27081 | 30 | 3H-SCH23390 | -38 | 44 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 151 | 2 | 2 | 2 | 1.1 | C[C@H](N)[C@H](O)c1ccccc1 | None | ||
| CHEMBL136560 | 27081 | 30 | 3H-SCH23390 | -38 | 44 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 151 | 2 | 2 | 2 | 1.1 | C[C@H](N)[C@H](O)c1ccccc1 | None | ||
| 156391 | 46770 | 99 | 3H-SCH23390 | -1 | 30 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 230 | 3 | 1 | 2 | 3.0 | COc1ccc2cc([C@H](C)C(=O)O)ccc2c1 | None | ||
| CHEMBL1200806 | 46770 | 99 | 3H-SCH23390 | -1 | 30 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 230 | 3 | 1 | 2 | 3.0 | COc1ccc2cc([C@H](C)C(=O)O)ccc2c1 | None | ||
| CHEMBL154 | 46770 | 99 | 3H-SCH23390 | -1 | 30 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 230 | 3 | 1 | 2 | 3.0 | COc1ccc2cc([C@H](C)C(=O)O)ccc2c1 | None | ||
| 10624 | 70271 | 19 | 3H-SCH23390 | -776 | 33 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 284 | 5 | 3 | 3 | 1.7 | CN(C)CCc1c[nH]c2cccc(OP(=O)(O)O)c12 | None | ||
| 138543650 | 70271 | 19 | 3H-SCH23390 | -776 | 33 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 284 | 5 | 3 | 3 | 1.7 | CN(C)CCc1c[nH]c2cccc(OP(=O)(O)O)c12 | None | ||
| CHEMBL194378 | 70271 | 19 | 3H-SCH23390 | -776 | 33 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 284 | 5 | 3 | 3 | 1.7 | CN(C)CCc1c[nH]c2cccc(OP(=O)(O)O)c12 | None | ||
| 2244 | 94204 | 100 | 3H-SCH23390 | -1 | 28 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 180 | 2 | 1 | 3 | 1.3 | CC(=O)Oc1ccccc1C(=O)O | None | ||
| CHEMBL25 | 94204 | 100 | 3H-SCH23390 | -1 | 28 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 180 | 2 | 1 | 3 | 1.3 | CC(=O)Oc1ccccc1C(=O)O | None | ||
| 7153 | 97992 | 77 | 3H-SCH23390 | -524 | 34 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 214 | 3 | 1 | 2 | 2.5 | Cc1cc(Cl)ccc1OC(C)C(=O)O | None | ||
| CHEMBL272942 | 97992 | 77 | 3H-SCH23390 | -524 | 34 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 214 | 3 | 1 | 2 | 2.5 | Cc1cc(Cl)ccc1OC(C)C(=O)O | None | ||
| 3663 | 99939 | 83 | 3H-SCH23390 | -288 | 29 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 504 | 0 | 6 | 8 | 5.1 | Cc1cc(O)c2c(=O)c3c(O)cc(O)c4c5c(O)cc(O)c6c(=O)c7c(O)cc(C)c8c1c2c(c34)c(c78)c65 | None | ||
| CHEMBL286494 | 99939 | 83 | 3H-SCH23390 | -288 | 29 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 504 | 0 | 6 | 8 | 5.1 | Cc1cc(O)c2c(=O)c3c(O)cc(O)c4c5c(O)cc(O)c6c(=O)c7c(O)cc(C)c8c1c2c(c34)c(c78)c65 | None | ||
| 446220 | 133496 | 14 | 3H-SCH23390 | -1778 | 46 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 303 | 3 | 0 | 5 | 1.9 | COC(=O)[C@H]1[C@@H](OC(=O)c2ccccc2)C[C@@H]2CC[C@H]1N2C | None | ||
| CHEMBL370805 | 133496 | 14 | 3H-SCH23390 | -1778 | 46 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 303 | 3 | 0 | 5 | 1.9 | COC(=O)[C@H]1[C@@H](OC(=O)c2ccccc2)C[C@@H]2CC[C@H]1N2C | None | ||
| 1615 | 167767 | 24 | 3H-SCH23390 | -26 | 45 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 193 | 3 | 1 | 3 | 1.6 | CNC(C)Cc1ccc2c(c1)OCO2 | None | ||
| CHEMBL43048 | 167767 | 24 | 3H-SCH23390 | -26 | 45 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 193 | 3 | 1 | 3 | 1.6 | CNC(C)Cc1ccc2c(c1)OCO2 | None | ||
| 5280343 | 188251 | 124 | 3H-SCH23390 | -147 | 32 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 302 | 1 | 5 | 7 | 2.0 | O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12 | None | ||
| CHEMBL1520590 | 188251 | 124 | 3H-SCH23390 | -147 | 32 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 302 | 1 | 5 | 7 | 2.0 | O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12 | None | ||
| CHEMBL50 | 188251 | 124 | 3H-SCH23390 | -147 | 32 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 302 | 1 | 5 | 7 | 2.0 | O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12 | None | ||
| 3672 | 192509 | 136 | 3H-SCH23390 | -1 | 28 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 206 | 4 | 1 | 1 | 3.1 | CC(C)Cc1ccc(C(C)C(=O)O)cc1 | None | ||
| CHEMBL521 | 192509 | 136 | 3H-SCH23390 | -1 | 28 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 206 | 4 | 1 | 1 | 3.1 | CC(C)Cc1ccc(C(C)C(=O)O)cc1 | None | ||
| 54676228 | 193591 | 112 | 3H-SCH23390 | -1 | 28 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 331 | 2 | 2 | 5 | 1.6 | CN1C(C(=O)Nc2ccccn2)=C(O)c2ccccc2S1(=O)=O | None | ||
| CHEMBL527 | 193591 | 112 | 3H-SCH23390 | -1 | 28 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 331 | 2 | 2 | 5 | 1.6 | CN1C(C(=O)Nc2ccccn2)=C(O)c2ccccc2S1(=O)=O | None | ||
| 4495 | 196512 | 92 | 3H-SCH23390 | -1 | 30 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 308 | 5 | 1 | 5 | 2.8 | CS(=O)(=O)Nc1ccc([N+](=O)[O-])cc1Oc1ccccc1 | None | ||
| CHEMBL56367 | 196512 | 92 | 3H-SCH23390 | -1 | 30 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 308 | 5 | 1 | 5 | 2.8 | CS(=O)(=O)Nc1ccc([N+](=O)[O-])cc1Oc1ccccc1 | None | ||
| 54677470 | 200528 | 115 | 3H-SCH23390 | -1 | 30 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 351 | 2 | 2 | 6 | 2.0 | Cc1cnc(NC(=O)C2=C(O)c3ccccc3S(=O)(=O)N2C)s1 | None | ||
| CHEMBL1256873 | 200528 | 115 | 3H-SCH23390 | -1 | 30 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 351 | 2 | 2 | 6 | 2.0 | Cc1cnc(NC(=O)C2=C(O)c3ccccc3S(=O)(=O)N2C)s1 | None | ||
| CHEMBL599 | 200528 | 115 | 3H-SCH23390 | -1 | 30 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 351 | 2 | 2 | 6 | 2.0 | Cc1cnc(NC(=O)C2=C(O)c3ccccc3S(=O)(=O)N2C)s1 | None | ||
| 162265 | 202251 | 22 | 3H-SCH23390 | -239 | 45 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 151 | 2 | 2 | 2 | 1.1 | CC(N)C(O)c1ccccc1 | None | ||
| 4786 | 202251 | 22 | 3H-SCH23390 | -239 | 45 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 151 | 2 | 2 | 2 | 1.1 | CC(N)C(O)c1ccccc1 | None | ||
| CHEMBL61006 | 202251 | 22 | 3H-SCH23390 | -239 | 45 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 151 | 2 | 2 | 2 | 1.1 | CC(N)C(O)c1ccccc1 | None | ||
| 5281600 | 203002 | 92 | 3H-SCH23390 | -275 | 33 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 538 | 3 | 6 | 10 | 5.1 | O=c1cc(-c2ccc(O)c(-c3c(O)cc(O)c4c(=O)cc(-c5ccc(O)cc5)oc34)c2)oc2cc(O)cc(O)c12 | None | ||
| CHEMBL63354 | 203002 | 92 | 3H-SCH23390 | -275 | 33 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 538 | 3 | 6 | 10 | 5.1 | O=c1cc(-c2ccc(O)c(-c3c(O)cc(O)c4c(=O)cc(-c5ccc(O)cc5)oc34)c2)oc2cc(O)cc(O)c12 | None | ||
| 1973 | 203460 | 15 | 3H-SCH23390 | -3 | 37 | Rat | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 462 | 3 | 1 | 7 | 3.9 | Nc1ncnc2nc(-c3ccc(N4CCOCC4)nc3)cc(-c3cccc(Br)c3)c12 | None | ||
| CHEMBL1394464 | 203460 | 15 | 3H-SCH23390 | -3 | 37 | Rat | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 462 | 3 | 1 | 7 | 3.9 | Nc1ncnc2nc(-c3ccc(N4CCOCC4)nc3)cc(-c3cccc(Br)c3)c12 | None | ||
| CHEMBL66089 | 203460 | 15 | 3H-SCH23390 | -3 | 37 | Rat | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 462 | 3 | 1 | 7 | 3.9 | Nc1ncnc2nc(-c3ccc(N4CCOCC4)nc3)cc(-c3cccc(Br)c3)c12 | None | ||
| 202478 | 204664 | 20 | 3H-SCH23390 | -97 | 26 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 219 | 3 | 1 | 2 | 3.0 | CCCN1CCC[C@H](c2cccc(O)c2)C1 | None | ||
| CHEMBL7393 | 204664 | 20 | 3H-SCH23390 | -97 | 26 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 219 | 3 | 1 | 2 | 3.0 | CCCN1CCC[C@H](c2cccc(O)c2)C1 | None | ||
| 3821 | 204695 | 17 | 3H-SCH23390 | -1 | 18 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 237 | 2 | 1 | 2 | 2.9 | CNC1(c2ccccc2Cl)CCCCC1=O | None | ||
| CHEMBL742 | 204695 | 17 | 3H-SCH23390 | -1 | 18 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 237 | 2 | 1 | 2 | 2.9 | CNC1(c2ccccc2Cl)CCCCC1=O | None | ||
| 4054 | 205478 | 72 | 3H-SCH23390 | -1 | 37 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 179 | 0 | 1 | 1 | 2.7 | CC12CC3CC(C)(C1)CC(N)(C3)C2 | None | ||
| CHEMBL1699 | 205478 | 72 | 3H-SCH23390 | -1 | 37 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 179 | 0 | 1 | 1 | 2.7 | CC12CC3CC(C)(C1)CC(N)(C3)C2 | None | ||
| CHEMBL807 | 205478 | 72 | 3H-SCH23390 | -1 | 37 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 179 | 0 | 1 | 1 | 2.7 | CC12CC3CC(C)(C1)CC(N)(C3)C2 | None | ||
| 119607 | 206180 | 113 | 3H-SCH23390 | -97 | 28 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 314 | 3 | 1 | 4 | 3.0 | Cc1onc(-c2ccccc2)c1-c1ccc(S(N)(=O)=O)cc1 | None | ||
| CHEMBL865 | 206180 | 113 | 3H-SCH23390 | -97 | 28 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 314 | 3 | 1 | 4 | 3.0 | Cc1onc(-c2ccccc2)c1-c1ccc(S(N)(=O)=O)cc1 | None | ||
| 3337 | 206344 | 27 | 3H-SCH23390 | -1513 | 41 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 231 | 4 | 1 | 1 | 3.2 | CCNC(C)Cc1cccc(C(F)(F)F)c1 | None | ||
| 65801 | 206344 | 27 | 3H-SCH23390 | -1513 | 41 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 231 | 4 | 1 | 1 | 3.2 | CCNC(C)Cc1cccc(C(F)(F)F)c1 | None | ||
| 66264 | 206344 | 27 | 3H-SCH23390 | -1513 | 41 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 231 | 4 | 1 | 1 | 3.2 | CCNC(C)Cc1cccc(C(F)(F)F)c1 | None | ||
| 91452 | 206344 | 27 | 3H-SCH23390 | -1513 | 41 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 231 | 4 | 1 | 1 | 3.2 | CCNC(C)Cc1cccc(C(F)(F)F)c1 | None | ||
| CHEMBL87493 | 206344 | 27 | 3H-SCH23390 | -1513 | 41 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 231 | 4 | 1 | 1 | 3.2 | CCNC(C)Cc1cccc(C(F)(F)F)c1 | None | ||
| 44134711 | 215966 | 0 | 3H-SCH23390 | -112201 | 14 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 340 | 6 | 2 | 4 | 2.8 | CCC1=CC(=C(C(=C1O)C(=O)NCC2CCCN2CC)OC)Cl | None | ||
| None | 215968 | 0 | 3H-SCH23390 | -1 | 28 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 329 | 2 | 0 | 4 | 3.6 | CC1=NC=CN1CC2CCC3=C(C2=O)C4=CC=CC=C4N3C.Cl | None | ||
| 104911 | 215994 | 0 | 3H-SCH23390 | -41686 | 38 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 530 | 7 | 0 | 5 | 5.1 | COC1=CC=CC=C1N2CCN(CC2)CCN(C3=CC=CC=N3)C(=O)C4CCCCC4.Cl.Cl.Cl | None | ||
| 25137849 | 216153 | 0 | 3H-SCH23390 | -4 | 41 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 165 | 3 | 2 | 2 | 1.3 | CC(C(C1=CC=CC=C1)O)NC | None | ||
| 71290 | 216153 | 0 | 3H-SCH23390 | -4 | 41 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 165 | 3 | 2 | 2 | 1.3 | CC(C(C1=CC=CC=C1)O)NC | None | ||
| None | 216208 | 0 | 3H-SCH23390 | -13 | 6 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 255 | 2 | 1 | 2 | 2.4 | CCCN1CCCC2C1CC3=C(C2)NN=C3.Cl | None | ||
| None | 216213 | 0 | 3H-SCH23390 | -95499 | 30 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 316 | 7 | 3 | 3 | 3.0 | CC(CF)NCC(COC1=CC=CC2=C1C3=CC=CC=C3N2)O | None | ||
| None | 216285 | 0 | 3H-SCH23390 | -1 | 34 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 240 | 7 | 4 | 6 | -0.8 | C(C(C(=O)O)N)SSCC(C(=O)O)N | None | ||
| None | 216286 | 0 | 3H-SCH23390 | -1 | 34 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 149 | 4 | 2 | 3 | 0.2 | CSCCC(C(=O)O)N | None | ||
| None | 216287 | 0 | 3H-SCH23390 | -1 | 34 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 135 | 3 | 3 | 3 | -0.3 | C(CS)C(C(=O)O)N | None | ||
| None | 216288 | 0 | 3H-SCH23390 | -1 | 34 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 121 | 2 | 3 | 3 | -0.7 | C(C(C(=O)O)N)S | None | ||
| None | 216289 | 0 | 3H-SCH23390 | -1 | 29 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 117 | 0 | 1 | 3 | -0.0 | C1CSC(=O)C1N | None | ||
| None | 216290 | 0 | 3H-SCH23390 | -1 | 40 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 153 | 3 | 3 | 3 | -1.4 | C(C(C(=O)O)N)S(=O)O | None | ||
| None | 216291 | 0 | 3H-SCH23390 | -1 | 39 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 169 | 3 | 3 | 4 | -1.7 | C(C(C(=O)O)N)S(=O)(=O)O | None | ||
| None | 216292 | 0 | 3H-SCH23390 | -1 | 30 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 183 | 4 | 3 | 4 | -1.3 | C(CS(=O)(=O)O)C(C(=O)O)N | None | ||
| None | 216299 | 0 | 3H-SCH23390 | -13 | 41 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 149 | 2 | 1 | 2 | 1.2 | CC(C(=O)C1=CC=CC=C1)N | None | ||
| 1576 | 216300 | 0 | 3H-SCH23390 | -16 | 41 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 163 | 3 | 1 | 2 | 1.5 | CC(C(=O)C1=CC=CC=C1)NC | None | ||
| None | 216301 | 0 | 3H-SCH23390 | -16 | 28 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 536 | 11 | 1 | 4 | 9.0 | CC(C)C(=O)C12C(=O)C(=C(C(C1=O)(CC(C2(C)CCC=C(C)C)CC=C(C)C)CC=C(C)C)O)CC=C(C)C | None | ||
| 4978 | 216302 | 0 | 3H-SCH23390 | -16 | 28 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 520 | 1 | 7 | 9 | 4.3 | CC1=CC(=C2C3=C1C4=C5C(=C(C=C4CO)O)C(=O)C6=C(C=C(C7=C6C5=C3C8=C7C(=CC(=C8C2=O)O)O)O)O)O | None | ||
| None | 216303 | 0 | 3H-SCH23390 | -3 | 28 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 464 | 4 | 8 | 12 | -0.6 | C1=CC(=C(C=C1C2=C(C(=C3C(=CC(=O)C=C3O2)O)O)OC4C(C(C(C(O4)CO)O)O)O)O)O | None | ||
| None | 216304 | 0 | 3H-SCH23390 | -281 | 28 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 610 | 6 | 10 | 16 | -1.7 | CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC(=C(C=C5)O)O)O)O)O)O)O)O | None | ||
| None | 216305 | 0 | 3H-SCH23390 | -1 | 28 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 448 | 3 | 7 | 11 | 0.4 | CC1C(C(C(C(O1)OC2=C(OC3=CC(=O)C=C(C3=C2O)O)C4=CC(=C(C=C4)O)O)O)O)O | None | ||
| None | 216316 | 0 | 3H-SCH23390 | -1862 | 19 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 246 | 2 | 1 | 4 | 1.6 | CCCN1CCCC2C1CC3=CN=C(N=C3C2)N | None | ||
| 135269 | 216363 | 0 | 3H-SCH23390 | -1 | 30 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 222 | 5 | 1 | 3 | 2.5 | CCCCC(=O)OC1=CC=CC=C1C(=O)O | None | ||
| 23681059 | 216364 | 0 | 3H-SCH23390 | -1 | 29 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 230 | 3 | 1 | 2 | 3.0 | CC(C1=CC2=C(C=C1)C=C(C=C2)OC)C(=O)O | None | ||
| 5018304 | 216365 | 0 | 3H-SCH23390 | -1 | 29 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 317 | 4 | 1 | 3 | 0.0 | C1=CC=C(C(=C1)CC(=O)[O-])NC2=C(C=CC=C2Cl)Cl.[Na+] | None | ||
| 84003 | 216366 | 0 | 3H-SCH23390 | -1 | 28 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 376 | 6 | 5 | 7 | -0.0 | C1CN2C(=CC=C2C(=O)C3=CC=CC=C3)C1C(=O)O.C(C(CO)(CO)N)O | None | ||
| 123619 | 216367 | 0 | 3H-SCH23390 | -1412 | 27 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 358 | 3 | 0 | 4 | 4.2 | CC1=NC=C(C=C1)C2=NC=C(C=C2C3=CC=C(C=C3)S(=O)(=O)C)Cl | None | ||
| 119828 | 216368 | 0 | 3H-SCH23390 | -1 | 30 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 370 | 5 | 1 | 5 | 3.5 | CCC(=O)NS(=O)(=O)C1=CC=C(C=C1)C2=C(ON=C2C3=CC=CC=C3)C | None | ||
| None | 216369 | 0 | 3H-SCH23390 | -7 | 29 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 517 | 8 | 2 | 5 | 5.2 | CC1=C(C2=C(N1C(=O)C3=CC=C(C=C3)Cl)C=CC(=C2)OC)CC(=O)NCCC4=CC=C(C=C4)NC(=O)C | None | ||
| None | 216205 | 0 | 3H-SCH23390 | -281 | 2 | Human | 7.0 | pKi | = | 7.0 | Binding | PDSP KiDatabase | 575 | 5 | 3 | 6 | 2.4 | CCC(C)C1C(=O)N2CCCC2C3(N1C(=O)C(O3)(C(C)C)NC(=O)C4CN(C5CC6=CNC7=CC=CC(=C67)C5=C4)C)O | None | ||
| 30137 | 2857 | 0 | 3H-SCH23390 | -3019 | 10 | Human | 5.9 | pKi | = | 5.9 | Binding | PDSP KiDatabase | 295 | 2 | 2 | 3 | 3.6 | CCCN1CCc2c3C1Cc1ccc(c(c1c3ccc2)O)O | None | ||
| 8594 | 2857 | 0 | 3H-SCH23390 | -3019 | 10 | Human | 5.9 | pKi | = | 5.9 | Binding | PDSP KiDatabase | 295 | 2 | 2 | 3 | 3.6 | CCCN1CCc2c3C1Cc1ccc(c(c1c3ccc2)O)O | None | ||
| 934 | 2857 | 0 | 3H-SCH23390 | -3019 | 10 | Human | 5.9 | pKi | = | 5.9 | Binding | PDSP KiDatabase | 295 | 2 | 2 | 3 | 3.6 | CCCN1CCc2c3C1Cc1ccc(c(c1c3ccc2)O)O | None | ||
| 1212 | 1649 | 50 | 3H-SCH23390 | -28 | 66 | Human | 7.9 | pKi | = | 7.9 | Binding | PDSP KiDatabase | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | None | ||
| 204 | 1649 | 50 | 3H-SCH23390 | -28 | 66 | Human | 7.9 | pKi | = | 7.9 | Binding | PDSP KiDatabase | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | None | ||
| 3372 | 1649 | 50 | 3H-SCH23390 | -28 | 66 | Human | 7.9 | pKi | = | 7.9 | Binding | PDSP KiDatabase | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | None | ||
| CHEMBL726 | 1649 | 50 | 3H-SCH23390 | -28 | 66 | Human | 7.9 | pKi | = | 7.9 | Binding | PDSP KiDatabase | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | None | ||
| DB00623 | 1649 | 50 | 3H-SCH23390 | -28 | 66 | Human | 7.9 | pKi | = | 7.9 | Binding | PDSP KiDatabase | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | None | ||
| 242 | 469 | 124 | 3H-SCH23390 | -870 | 52 | Rat | 5.9 | pKi | = | 5.9 | Binding | PDSP KiDatabase | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | None | ||
| 34 | 469 | 124 | 3H-SCH23390 | -870 | 52 | Rat | 5.9 | pKi | = | 5.9 | Binding | PDSP KiDatabase | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | None | ||
| 60795 | 469 | 124 | 3H-SCH23390 | -870 | 52 | Rat | 5.9 | pKi | = | 5.9 | Binding | PDSP KiDatabase | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | None | ||
| CHEMBL1112 | 469 | 124 | 3H-SCH23390 | -870 | 52 | Rat | 5.9 | pKi | = | 5.9 | Binding | PDSP KiDatabase | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | None | ||
| DB01238 | 469 | 124 | 3H-SCH23390 | -870 | 52 | Rat | 5.9 | pKi | = | 5.9 | Binding | PDSP KiDatabase | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | None | ||
| 124936 | 217665 | 0 | 3H-SCH23390 | -6 | 7 | Human | 7.9 | pKi | = | 7.9 | Binding | PDSP KiDatabase | 268 | 3 | 1 | 5 | 4.8 | CNC1=CC=C(C=C1)N=NC2=CC3=C(C=C2)N=CS3 | None | ||
| 2726 | 916 | 68 | 3H-SCH23390 | -47 | 73 | Human | 6.9 | pKi | = | 6.9 | Binding | PDSP KiDatabase | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
| 621 | 916 | 68 | 3H-SCH23390 | -47 | 73 | Human | 6.9 | pKi | = | 6.9 | Binding | PDSP KiDatabase | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
| 83 | 916 | 68 | 3H-SCH23390 | -47 | 73 | Human | 6.9 | pKi | = | 6.9 | Binding | PDSP KiDatabase | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
| CHEMBL71 | 916 | 68 | 3H-SCH23390 | -47 | 73 | Human | 6.9 | pKi | = | 6.9 | Binding | PDSP KiDatabase | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
| DB00477 | 916 | 68 | 3H-SCH23390 | -47 | 73 | Human | 6.9 | pKi | = | 6.9 | Binding | PDSP KiDatabase | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
| 1212 | 1649 | 50 | 3H-SCH23390 | -28 | 66 | Human | 7.9 | pKi | = | 7.9 | Binding | PDSP KiDatabase | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | None | ||
| 204 | 1649 | 50 | 3H-SCH23390 | -28 | 66 | Human | 7.9 | pKi | = | 7.9 | Binding | PDSP KiDatabase | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | None | ||
| 3372 | 1649 | 50 | 3H-SCH23390 | -28 | 66 | Human | 7.9 | pKi | = | 7.9 | Binding | PDSP KiDatabase | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | None | ||
| CHEMBL726 | 1649 | 50 | 3H-SCH23390 | -28 | 66 | Human | 7.9 | pKi | = | 7.9 | Binding | PDSP KiDatabase | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | None | ||
| DB00623 | 1649 | 50 | 3H-SCH23390 | -28 | 66 | Human | 7.9 | pKi | = | 7.9 | Binding | PDSP KiDatabase | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | None | ||
| 25058166 | 215935 | 0 | 3H-SCH23390 | -37 | 27 | Human | 7.8 | pKi | = | 7.8 | Binding | PDSP KiDatabase | 267 | 0 | 2 | 3 | 2.9 | CN1CCC2=CC=CC3=C2C1CC4=C3C(=C(C=C4)O)O | None | ||
| 6852389 | 215935 | 0 | 3H-SCH23390 | -37 | 27 | Human | 7.8 | pKi | = | 7.8 | Binding | PDSP KiDatabase | 267 | 0 | 2 | 3 | 2.9 | CN1CCC2=CC=CC3=C2C1CC4=C3C(=C(C=C4)O)O | None | ||
| 1353 | 1898 | 93 | 3H-SCH23390 | -54 | 86 | Human | 6.8 | pKi | = | 6.8 | Binding | PDSP KiDatabase | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | None | ||
| 3559 | 1898 | 93 | 3H-SCH23390 | -54 | 86 | Human | 6.8 | pKi | = | 6.8 | Binding | PDSP KiDatabase | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | None | ||
| 86 | 1898 | 93 | 3H-SCH23390 | -54 | 86 | Human | 6.8 | pKi | = | 6.8 | Binding | PDSP KiDatabase | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | None | ||
| CHEMBL54 | 1898 | 93 | 3H-SCH23390 | -54 | 86 | Human | 6.8 | pKi | = | 6.8 | Binding | PDSP KiDatabase | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | None | ||
| DB00502 | 1898 | 93 | 3H-SCH23390 | -54 | 86 | Human | 6.8 | pKi | = | 6.8 | Binding | PDSP KiDatabase | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | None | ||
| 1153 | 1615 | 58 | 3H-SCH23390 | -22 | 10 | Human | 7.8 | pKi | = | 7.8 | Binding | PDSP KiDatabase | 305 | 1 | 4 | 4 | 2.7 | Oc1ccc(cc1)C1CNCCc2c1cc(O)c(c2Cl)O | None | ||
| 12668023 | 1615 | 58 | 3H-SCH23390 | -22 | 10 | Human | 7.8 | pKi | = | 7.8 | Binding | PDSP KiDatabase | 305 | 1 | 4 | 4 | 2.7 | Oc1ccc(cc1)C1CNCCc2c1cc(O)c(c2Cl)O | None | ||
| 30026874 | 1615 | 58 | 3H-SCH23390 | -22 | 10 | Human | 7.8 | pKi | = | 7.8 | Binding | PDSP KiDatabase | 305 | 1 | 4 | 4 | 2.7 | Oc1ccc(cc1)C1CNCCc2c1cc(O)c(c2Cl)O | None | ||
| 30026875 | 1615 | 58 | 3H-SCH23390 | -22 | 10 | Human | 7.8 | pKi | = | 7.8 | Binding | PDSP KiDatabase | 305 | 1 | 4 | 4 | 2.7 | Oc1ccc(cc1)C1CNCCc2c1cc(O)c(c2Cl)O | None | ||
| 3341 | 1615 | 58 | 3H-SCH23390 | -22 | 10 | Human | 7.8 | pKi | = | 7.8 | Binding | PDSP KiDatabase | 305 | 1 | 4 | 4 | 2.7 | Oc1ccc(cc1)C1CNCCc2c1cc(O)c(c2Cl)O | None | ||
| 6603851 | 1615 | 58 | 3H-SCH23390 | -22 | 10 | Human | 7.8 | pKi | = | 7.8 | Binding | PDSP KiDatabase | 305 | 1 | 4 | 4 | 2.7 | Oc1ccc(cc1)C1CNCCc2c1cc(O)c(c2Cl)O | None | ||
| 933 | 1615 | 58 | 3H-SCH23390 | -22 | 10 | Human | 7.8 | pKi | = | 7.8 | Binding | PDSP KiDatabase | 305 | 1 | 4 | 4 | 2.7 | Oc1ccc(cc1)C1CNCCc2c1cc(O)c(c2Cl)O | None | ||
| 939 | 1615 | 58 | 3H-SCH23390 | -22 | 10 | Human | 7.8 | pKi | = | 7.8 | Binding | PDSP KiDatabase | 305 | 1 | 4 | 4 | 2.7 | Oc1ccc(cc1)C1CNCCc2c1cc(O)c(c2Cl)O | None | ||
| 985 | 1615 | 58 | 3H-SCH23390 | -22 | 10 | Human | 7.8 | pKi | = | 7.8 | Binding | PDSP KiDatabase | 305 | 1 | 4 | 4 | 2.7 | Oc1ccc(cc1)C1CNCCc2c1cc(O)c(c2Cl)O | None | ||
| CHEMBL1160786 | 1615 | 58 | 3H-SCH23390 | -22 | 10 | Human | 7.8 | pKi | = | 7.8 | Binding | PDSP KiDatabase | 305 | 1 | 4 | 4 | 2.7 | Oc1ccc(cc1)C1CNCCc2c1cc(O)c(c2Cl)O | None | ||
| CHEMBL1161520 | 1615 | 58 | 3H-SCH23390 | -22 | 10 | Human | 7.8 | pKi | = | 7.8 | Binding | PDSP KiDatabase | 305 | 1 | 4 | 4 | 2.7 | Oc1ccc(cc1)C1CNCCc2c1cc(O)c(c2Cl)O | None | ||
| CHEMBL588 | 1615 | 58 | 3H-SCH23390 | -22 | 10 | Human | 7.8 | pKi | = | 7.8 | Binding | PDSP KiDatabase | 305 | 1 | 4 | 4 | 2.7 | Oc1ccc(cc1)C1CNCCc2c1cc(O)c(c2Cl)O | None | ||
| DB00800 | 1615 | 58 | 3H-SCH23390 | -22 | 10 | Human | 7.8 | pKi | = | 7.8 | Binding | PDSP KiDatabase | 305 | 1 | 4 | 4 | 2.7 | Oc1ccc(cc1)C1CNCCc2c1cc(O)c(c2Cl)O | None | ||
| 2337 | 3232 | 77 | 3H-SCH23390 | -27 | 63 | Human | 5.8 | pKi | = | 5.8 | Binding | PDSP KiDatabase | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | None | ||
| 50 | 3232 | 77 | 3H-SCH23390 | -27 | 63 | Human | 5.8 | pKi | = | 5.8 | Binding | PDSP KiDatabase | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | None | ||
| 5002 | 3232 | 77 | 3H-SCH23390 | -27 | 63 | Human | 5.8 | pKi | = | 5.8 | Binding | PDSP KiDatabase | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | None | ||
| CHEMBL716 | 3232 | 77 | 3H-SCH23390 | -27 | 63 | Human | 5.8 | pKi | = | 5.8 | Binding | PDSP KiDatabase | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | None | ||
| DB01224 | 3232 | 77 | 3H-SCH23390 | -27 | 63 | Human | 5.8 | pKi | = | 5.8 | Binding | PDSP KiDatabase | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | None | ||
| 2865 | 4112 | 73 | 3H-SCH23390 | -64 | 54 | Human | 6.8 | pKi | = | 6.8 | Binding | PDSP KiDatabase | 412 | 4 | 1 | 5 | 3.8 | O=C1Nc2c(C1)cc(c(c2)Cl)CCN1CCN(CC1)c1nsc2c1cccc2 | None | ||
| 59 | 4112 | 73 | 3H-SCH23390 | -64 | 54 | Human | 6.8 | pKi | = | 6.8 | Binding | PDSP KiDatabase | 412 | 4 | 1 | 5 | 3.8 | O=C1Nc2c(C1)cc(c(c2)Cl)CCN1CCN(CC1)c1nsc2c1cccc2 | None | ||
| 60854 | 4112 | 73 | 3H-SCH23390 | -64 | 54 | Human | 6.8 | pKi | = | 6.8 | Binding | PDSP KiDatabase | 412 | 4 | 1 | 5 | 3.8 | O=C1Nc2c(C1)cc(c(c2)Cl)CCN1CCN(CC1)c1nsc2c1cccc2 | None | ||
| CHEMBL708 | 4112 | 73 | 3H-SCH23390 | -64 | 54 | Human | 6.8 | pKi | = | 6.8 | Binding | PDSP KiDatabase | 412 | 4 | 1 | 5 | 3.8 | O=C1Nc2c(C1)cc(c(c2)Cl)CCN1CCN(CC1)c1nsc2c1cccc2 | None | ||
| DB00246 | 4112 | 73 | 3H-SCH23390 | -64 | 54 | Human | 6.8 | pKi | = | 6.8 | Binding | PDSP KiDatabase | 412 | 4 | 1 | 5 | 3.8 | O=C1Nc2c(C1)cc(c(c2)Cl)CCN1CCN(CC1)c1nsc2c1cccc2 | None | ||
| 44591134 | 176176 | 0 | UNDEFINED | -125 | 6 | Human | 6.8 | pKi | = | 6.8 | Binding | PDSP KiDatabase | 535 | 11 | 0 | 5 | 7.7 | CN(CCCN1c2ccccc2Sc2ccc(Cl)cc21)Cc1ccc(OCCCN2CCCCC2)cc1 | None | ||
| CHEMBL459373 | 176176 | 0 | UNDEFINED | -125 | 6 | Human | 6.8 | pKi | = | 6.8 | Binding | PDSP KiDatabase | 535 | 11 | 0 | 5 | 7.7 | CN(CCCN1c2ccccc2Sc2ccc(Cl)cc21)Cc1ccc(OCCCN2CCCCC2)cc1 | None | ||
| 2389 | 3306 | 118 | 3H-SCH23390 | -239 | 68 | Human | 7.8 | pKi | = | 7.8 | Binding | PDSP KiDatabase | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | None | ||
| 5073 | 3306 | 118 | 3H-SCH23390 | -239 | 68 | Human | 7.8 | pKi | = | 7.8 | Binding | PDSP KiDatabase | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | None | ||
| 96 | 3306 | 118 | 3H-SCH23390 | -239 | 68 | Human | 7.8 | pKi | = | 7.8 | Binding | PDSP KiDatabase | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | None | ||
| CHEMBL85 | 3306 | 118 | 3H-SCH23390 | -239 | 68 | Human | 7.8 | pKi | = | 7.8 | Binding | PDSP KiDatabase | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | None | ||
| DB00734 | 3306 | 118 | 3H-SCH23390 | -239 | 68 | Human | 7.8 | pKi | = | 7.8 | Binding | PDSP KiDatabase | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | None | ||
| 6603820 | 95745 | 19 | 3H-SCH23390 | -1 | 13 | Rat | 7.8 | pKi | = | 7.8 | Binding | PDSP KiDatabase | 267 | 0 | 3 | 3 | 2.6 | Oc1cc2c(cc1O)[C@H]1c3ccccc3CN[C@@H]1CC2 | None | ||
| CHEMBL25856 | 95745 | 19 | 3H-SCH23390 | -1 | 13 | Rat | 7.8 | pKi | = | 7.8 | Binding | PDSP KiDatabase | 267 | 0 | 3 | 3 | 2.6 | Oc1cc2c(cc1O)[C@H]1c3ccccc3CN[C@@H]1CC2 | None | ||
| 242 | 469 | 124 | 3H-SCH23390 | -380 | 52 | Human | 5.8 | pKi | = | 5.8 | Binding | PDSP KiDatabase | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | None | ||
| 34 | 469 | 124 | 3H-SCH23390 | -380 | 52 | Human | 5.8 | pKi | = | 5.8 | Binding | PDSP KiDatabase | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | None | ||
| 60795 | 469 | 124 | 3H-SCH23390 | -380 | 52 | Human | 5.8 | pKi | = | 5.8 | Binding | PDSP KiDatabase | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | None | ||
| CHEMBL1112 | 469 | 124 | 3H-SCH23390 | -380 | 52 | Human | 5.8 | pKi | = | 5.8 | Binding | PDSP KiDatabase | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | None | ||
| DB01238 | 469 | 124 | 3H-SCH23390 | -380 | 52 | Human | 5.8 | pKi | = | 5.8 | Binding | PDSP KiDatabase | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | None | ||
| 180 | 400 | 56 | UNDEFINED | -112 | 40 | Human | 6.8 | pKi | = | 6.8 | Binding | PDSP KiDatabase | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | None | ||
| 200 | 400 | 56 | UNDEFINED | -112 | 40 | Human | 6.8 | pKi | = | 6.8 | Binding | PDSP KiDatabase | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | None | ||
| 2160 | 400 | 56 | UNDEFINED | -112 | 40 | Human | 6.8 | pKi | = | 6.8 | Binding | PDSP KiDatabase | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | None | ||
| CHEMBL629 | 400 | 56 | UNDEFINED | -112 | 40 | Human | 6.8 | pKi | = | 6.8 | Binding | PDSP KiDatabase | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | None | ||
| DB00321 | 400 | 56 | UNDEFINED | -112 | 40 | Human | 6.8 | pKi | = | 6.8 | Binding | PDSP KiDatabase | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | None | ||
| 11954224 | 215928 | 0 | 3H-SCH23390 | -478 | 60 | Human | 6.8 | pKi | = | 6.8 | Binding | PDSP KiDatabase | 581 | 4 | 3 | 6 | 2.0 | CC1(C(=O)N2C(C(=O)N3CCCC3C2(O1)O)CC4=CC=CC=C4)NC(=O)C5CN(C6CC7=CNC8=CC=CC(=C78)C6=C5)C | None | ||
| 2726 | 916 | 68 | UNDEFINED | -47 | 73 | Human | 6.8 | pKi | = | 6.8 | Binding | PDSP KiDatabase | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
| 621 | 916 | 68 | UNDEFINED | -47 | 73 | Human | 6.8 | pKi | = | 6.8 | Binding | PDSP KiDatabase | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
| 83 | 916 | 68 | UNDEFINED | -47 | 73 | Human | 6.8 | pKi | = | 6.8 | Binding | PDSP KiDatabase | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
| CHEMBL71 | 916 | 68 | UNDEFINED | -47 | 73 | Human | 6.8 | pKi | = | 6.8 | Binding | PDSP KiDatabase | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
| DB00477 | 916 | 68 | UNDEFINED | -47 | 73 | Human | 6.8 | pKi | = | 6.8 | Binding | PDSP KiDatabase | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
| 2337 | 3232 | 77 | 3H-SCH23390 | -27 | 63 | Human | 5.8 | pKi | = | 5.8 | Binding | PDSP KiDatabase | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | None | ||
| 50 | 3232 | 77 | 3H-SCH23390 | -27 | 63 | Human | 5.8 | pKi | = | 5.8 | Binding | PDSP KiDatabase | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | None | ||
| 5002 | 3232 | 77 | 3H-SCH23390 | -27 | 63 | Human | 5.8 | pKi | = | 5.8 | Binding | PDSP KiDatabase | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | None | ||
| CHEMBL716 | 3232 | 77 | 3H-SCH23390 | -27 | 63 | Human | 5.8 | pKi | = | 5.8 | Binding | PDSP KiDatabase | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | None | ||
| DB01224 | 3232 | 77 | 3H-SCH23390 | -27 | 63 | Human | 5.8 | pKi | = | 5.8 | Binding | PDSP KiDatabase | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | None | ||
| 1353 | 1898 | 93 | 3H-SCH23390 | -54 | 86 | Human | 6.8 | pKi | = | 6.8 | Binding | PDSP KiDatabase | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | None | ||
| 3559 | 1898 | 93 | 3H-SCH23390 | -54 | 86 | Human | 6.8 | pKi | = | 6.8 | Binding | PDSP KiDatabase | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | None | ||
| 86 | 1898 | 93 | 3H-SCH23390 | -54 | 86 | Human | 6.8 | pKi | = | 6.8 | Binding | PDSP KiDatabase | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | None | ||
| CHEMBL54 | 1898 | 93 | 3H-SCH23390 | -54 | 86 | Human | 6.8 | pKi | = | 6.8 | Binding | PDSP KiDatabase | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | None | ||
| DB00502 | 1898 | 93 | 3H-SCH23390 | -54 | 86 | Human | 6.8 | pKi | = | 6.8 | Binding | PDSP KiDatabase | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | None | ||
| 219050 | 3348 | 25 | 3H-SCH23390 | -1174 | 21 | Human | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | 346 | 6 | 2 | 2 | 5.0 | Oc1ccc2c(c1)c(CCCCN1CCC(=CC1)c1ccccc1)c[nH]2 | None | ||
| 52 | 3348 | 25 | 3H-SCH23390 | -1174 | 21 | Human | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | 346 | 6 | 2 | 2 | 5.0 | Oc1ccc2c(c1)c(CCCCN1CCC(=CC1)c1ccccc1)c[nH]2 | None | ||
| CHEMBL431367 | 3348 | 25 | 3H-SCH23390 | -1174 | 21 | Human | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | 346 | 6 | 2 | 2 | 5.0 | Oc1ccc2c(c1)c(CCCCN1CCC(=CC1)c1ccccc1)c[nH]2 | None | ||
| 135398737 | 955 | 93 | UNDEFINED | -89 | 92 | Human | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
| 38 | 955 | 93 | UNDEFINED | -89 | 92 | Human | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
| 722 | 955 | 93 | UNDEFINED | -89 | 92 | Human | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
| CHEMBL42 | 955 | 93 | UNDEFINED | -89 | 92 | Human | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
| DB00363 | 955 | 93 | UNDEFINED | -89 | 92 | Human | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
| 1212 | 1649 | 50 | UNDEFINED | -28 | 66 | Human | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | None | ||
| 204 | 1649 | 50 | UNDEFINED | -28 | 66 | Human | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | None | ||
| 3372 | 1649 | 50 | UNDEFINED | -28 | 66 | Human | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | None | ||
| CHEMBL726 | 1649 | 50 | UNDEFINED | -28 | 66 | Human | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | None | ||
| DB00623 | 1649 | 50 | UNDEFINED | -28 | 66 | Human | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | None | ||
| 100 | 3776 | 58 | 3H-SCH23390 | -85 | 56 | Human | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | None | ||
| 2637 | 3776 | 58 | 3H-SCH23390 | -85 | 56 | Human | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | None | ||
| 5452 | 3776 | 58 | 3H-SCH23390 | -85 | 56 | Human | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | None | ||
| CHEMBL479 | 3776 | 58 | 3H-SCH23390 | -85 | 56 | Human | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | None | ||
| DB00679 | 3776 | 58 | 3H-SCH23390 | -85 | 56 | Human | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | None | ||
| None | 216315 | 0 | 3H-SCH23390 | -29 | 19 | Human | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | 451 | 8 | 2 | 4 | 3.2 | CCNC(=O)N(CCCN(C)C)C(=O)C1CC2C(CC3=CNC4=CC=CC2=C34)N(C1)CC=C | None | ||
| 46780481 | 107504 | 20 | 3H-SCH23390 | -77 | 54 | Human | 7.6 | pKi | = | 7.6 | Binding | PDSP KiDatabase | 285 | 0 | 0 | 2 | 4.3 | CN1CC2c3ccccc3Oc3ccc(Cl)cc3C2C1 | None | ||
| 9903970 | 107504 | 20 | 3H-SCH23390 | -77 | 54 | Human | 7.6 | pKi | = | 7.6 | Binding | PDSP KiDatabase | 285 | 0 | 0 | 2 | 4.3 | CN1CC2c3ccccc3Oc3ccc(Cl)cc3C2C1 | None | ||
| CHEMBL3187365 | 107504 | 20 | 3H-SCH23390 | -77 | 54 | Human | 7.6 | pKi | = | 7.6 | Binding | PDSP KiDatabase | 285 | 0 | 0 | 2 | 4.3 | CN1CC2c3ccccc3Oc3ccc(Cl)cc3C2C1 | None | ||
| CHEMBL3544974 | 107504 | 20 | 3H-SCH23390 | -77 | 54 | Human | 7.6 | pKi | = | 7.6 | Binding | PDSP KiDatabase | 285 | 0 | 0 | 2 | 4.3 | CN1CC2c3ccccc3Oc3ccc(Cl)cc3C2C1 | None | ||
| 681 | 1453 | 72 | 3H-SCH23390 | -67 | 39 | Human | 6.6 | pKi | = | 6.6 | Binding | PDSP KiDatabase | 153 | 2 | 3 | 3 | 0.6 | NCCc1ccc(c(c1)O)O | None | ||
| 940 | 1453 | 72 | 3H-SCH23390 | -67 | 39 | Human | 6.6 | pKi | = | 6.6 | Binding | PDSP KiDatabase | 153 | 2 | 3 | 3 | 0.6 | NCCc1ccc(c(c1)O)O | None | ||
| 947 | 1453 | 72 | 3H-SCH23390 | -67 | 39 | Human | 6.6 | pKi | = | 6.6 | Binding | PDSP KiDatabase | 153 | 2 | 3 | 3 | 0.6 | NCCc1ccc(c(c1)O)O | None | ||
| CHEMBL59 | 1453 | 72 | 3H-SCH23390 | -67 | 39 | Human | 6.6 | pKi | = | 6.6 | Binding | PDSP KiDatabase | 153 | 2 | 3 | 3 | 0.6 | NCCc1ccc(c(c1)O)O | None | ||
| DB00988 | 1453 | 72 | 3H-SCH23390 | -67 | 39 | Human | 6.6 | pKi | = | 6.6 | Binding | PDSP KiDatabase | 153 | 2 | 3 | 3 | 0.6 | NCCc1ccc(c(c1)O)O | None | ||
| 2601 | 3751 | 33 | 3H-SCH23390 | -15 | 21 | Human | 7.6 | pKi | = | 7.6 | Binding | PDSP KiDatabase | 340 | 3 | 2 | 2 | 2.9 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)c[nH]3)CC | None | ||
| 443951 | 3751 | 33 | 3H-SCH23390 | -15 | 21 | Human | 7.6 | pKi | = | 7.6 | Binding | PDSP KiDatabase | 340 | 3 | 2 | 2 | 2.9 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)c[nH]3)CC | None | ||
| 56 | 3751 | 33 | 3H-SCH23390 | -15 | 21 | Human | 7.6 | pKi | = | 7.6 | Binding | PDSP KiDatabase | 340 | 3 | 2 | 2 | 2.9 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)c[nH]3)CC | None | ||
| CHEMBL73151 | 3751 | 33 | 3H-SCH23390 | -15 | 21 | Human | 7.6 | pKi | = | 7.6 | Binding | PDSP KiDatabase | 340 | 3 | 2 | 2 | 2.9 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)c[nH]3)CC | None | ||
| DB13399 | 3751 | 33 | 3H-SCH23390 | -15 | 21 | Human | 7.6 | pKi | = | 7.6 | Binding | PDSP KiDatabase | 340 | 3 | 2 | 2 | 2.9 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)c[nH]3)CC | None | ||
| 135398737 | 955 | 93 | 3H-SCH23390 | -89 | 92 | Human | 6.6 | pKi | = | 6.6 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
| 38 | 955 | 93 | 3H-SCH23390 | -89 | 92 | Human | 6.6 | pKi | = | 6.6 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
| 722 | 955 | 93 | 3H-SCH23390 | -89 | 92 | Human | 6.6 | pKi | = | 6.6 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
| CHEMBL42 | 955 | 93 | 3H-SCH23390 | -89 | 92 | Human | 6.6 | pKi | = | 6.6 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
| DB00363 | 955 | 93 | 3H-SCH23390 | -89 | 92 | Human | 6.6 | pKi | = | 6.6 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
| 5311189 | 204818 | 11 | 3H-SCH23390 | -46 | 28 | Human | 5.6 | pKi | = | 5.6 | Binding | PDSP KiDatabase | 219 | 3 | 1 | 2 | 3.0 | CCCN1CCC[C@@H](c2cccc(O)c2)C1 | None | ||
| CHEMBL7549 | 204818 | 11 | 3H-SCH23390 | -46 | 28 | Human | 5.6 | pKi | = | 5.6 | Binding | PDSP KiDatabase | 219 | 3 | 1 | 2 | 3.0 | CCCN1CCC[C@@H](c2cccc(O)c2)C1 | None | ||
| 103 | 4122 | 61 | 3H-SCH23390 | -33 | 54 | Human | 6.6 | pKi | = | 6.6 | Binding | PDSP KiDatabase | 331 | 4 | 0 | 3 | 4.9 | CN(CCOC1=Cc2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
| 2875 | 4122 | 61 | 3H-SCH23390 | -33 | 54 | Human | 6.6 | pKi | = | 6.6 | Binding | PDSP KiDatabase | 331 | 4 | 0 | 3 | 4.9 | CN(CCOC1=Cc2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
| 5736 | 4122 | 61 | 3H-SCH23390 | -33 | 54 | Human | 6.6 | pKi | = | 6.6 | Binding | PDSP KiDatabase | 331 | 4 | 0 | 3 | 4.9 | CN(CCOC1=Cc2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
| CHEMBL285802 | 4122 | 61 | 3H-SCH23390 | -33 | 54 | Human | 6.6 | pKi | = | 6.6 | Binding | PDSP KiDatabase | 331 | 4 | 0 | 3 | 4.9 | CN(CCOC1=Cc2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
| DB09225 | 4122 | 61 | 3H-SCH23390 | -33 | 54 | Human | 6.6 | pKi | = | 6.6 | Binding | PDSP KiDatabase | 331 | 4 | 0 | 3 | 4.9 | CN(CCOC1=Cc2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
| 135398737 | 955 | 93 | 3H-SCH23390 | -89 | 92 | Human | 6.6 | pKi | = | 6.6 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
| 38 | 955 | 93 | 3H-SCH23390 | -89 | 92 | Human | 6.6 | pKi | = | 6.6 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
| 722 | 955 | 93 | 3H-SCH23390 | -89 | 92 | Human | 6.6 | pKi | = | 6.6 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
| CHEMBL42 | 955 | 93 | 3H-SCH23390 | -89 | 92 | Human | 6.6 | pKi | = | 6.6 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
| DB00363 | 955 | 93 | 3H-SCH23390 | -89 | 92 | Human | 6.6 | pKi | = | 6.6 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
| 1524 | 2168 | 96 | 3H-SCH23390 | -251 | 52 | Human | 5.6 | pKi | = | 5.6 | Binding | PDSP KiDatabase | 395 | 5 | 1 | 5 | 2.4 | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)cccc2 | None | ||
| 197 | 2168 | 96 | 3H-SCH23390 | -251 | 52 | Human | 5.6 | pKi | = | 5.6 | Binding | PDSP KiDatabase | 395 | 5 | 1 | 5 | 2.4 | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)cccc2 | None | ||
| 3822 | 2168 | 96 | 3H-SCH23390 | -251 | 52 | Human | 5.6 | pKi | = | 5.6 | Binding | PDSP KiDatabase | 395 | 5 | 1 | 5 | 2.4 | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)cccc2 | None | ||
| 88 | 2168 | 96 | 3H-SCH23390 | -251 | 52 | Human | 5.6 | pKi | = | 5.6 | Binding | PDSP KiDatabase | 395 | 5 | 1 | 5 | 2.4 | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)cccc2 | None | ||
| CHEMBL51 | 2168 | 96 | 3H-SCH23390 | -251 | 52 | Human | 5.6 | pKi | = | 5.6 | Binding | PDSP KiDatabase | 395 | 5 | 1 | 5 | 2.4 | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)cccc2 | None | ||
| DB12465 | 2168 | 96 | 3H-SCH23390 | -251 | 52 | Human | 5.6 | pKi | = | 5.6 | Binding | PDSP KiDatabase | 395 | 5 | 1 | 5 | 2.4 | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)cccc2 | None | ||
| 242 | 469 | 124 | 3H-SCH23390 | -380 | 52 | Human | 5.6 | pKi | = | 5.6 | Binding | PDSP KiDatabase | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | None | ||
| 34 | 469 | 124 | 3H-SCH23390 | -380 | 52 | Human | 5.6 | pKi | = | 5.6 | Binding | PDSP KiDatabase | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | None | ||
| 60795 | 469 | 124 | 3H-SCH23390 | -380 | 52 | Human | 5.6 | pKi | = | 5.6 | Binding | PDSP KiDatabase | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | None | ||
| CHEMBL1112 | 469 | 124 | 3H-SCH23390 | -380 | 52 | Human | 5.6 | pKi | = | 5.6 | Binding | PDSP KiDatabase | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | None | ||
| DB01238 | 469 | 124 | 3H-SCH23390 | -380 | 52 | Human | 5.6 | pKi | = | 5.6 | Binding | PDSP KiDatabase | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | None | ||
| 11954259 | 215954 | 0 | 3H-SCH23390 | -870 | 44 | Human | 6.6 | pKi | = | 6.6 | Binding | PDSP KiDatabase | 443 | 5 | 0 | 5 | 3.5 | CN1CCN(CC1)CCC=C2C3=CC=CC=C3SC4=C2C=C(C=C4)S(=O)(=O)N(C)C | None | ||
| 25212275 | 174397 | 0 | UNDEFINED | -6309 | 6 | Human | 6.6 | pKi | = | 6.6 | Binding | PDSP KiDatabase | 682 | 13 | 0 | 8 | 7.4 | O=C(OCCN1CCN(CCCN2c3ccccc3Sc3ccc(C(F)(F)F)cc32)CC1)c1ccc(OCCCN2CCCCC2)cc1 | None | ||
| CHEMBL455288 | 174397 | 0 | UNDEFINED | -6309 | 6 | Human | 6.6 | pKi | = | 6.6 | Binding | PDSP KiDatabase | 682 | 13 | 0 | 8 | 7.4 | O=C(OCCN1CCN(CCCN2c3ccccc3Sc3ccc(C(F)(F)F)cc32)CC1)c1ccc(OCCCN2CCCCC2)cc1 | None | ||
| 25212276 | 190042 | 0 | UNDEFINED | -741 | 6 | Human | 6.6 | pKi | = | 6.6 | Binding | PDSP KiDatabase | 508 | 11 | 0 | 3 | 7.4 | CN(CCCC12CCC(c3ccccc31)c1ccccc12)Cc1ccc(OCCCN2CCCCC2)cc1 | None | ||
| CHEMBL517244 | 190042 | 0 | UNDEFINED | -741 | 6 | Human | 6.6 | pKi | = | 6.6 | Binding | PDSP KiDatabase | 508 | 11 | 0 | 3 | 7.4 | CN(CCCC12CCC(c3ccccc31)c1ccccc12)Cc1ccc(OCCCN2CCCCC2)cc1 | None | ||
| 37459 | 743 | 13 | 3H-SCH23390 | -61 | 25 | Human | 7.6 | pKi | = | 7.6 | Binding | PDSP KiDatabase | 361 | 0 | 1 | 2 | 4.8 | O[C@]1(CCN2[C@@H](C1)c1cccc3c1[C@@H](C2)c1ccccc1CC3)C(C)(C)C | None | ||
| 62 | 743 | 13 | 3H-SCH23390 | -61 | 25 | Human | 7.6 | pKi | = | 7.6 | Binding | PDSP KiDatabase | 361 | 0 | 1 | 2 | 4.8 | O[C@]1(CCN2[C@@H](C1)c1cccc3c1[C@@H](C2)c1ccccc1CC3)C(C)(C)C | None | ||
| CHEMBL8514 | 743 | 13 | 3H-SCH23390 | -61 | 25 | Human | 7.6 | pKi | = | 7.6 | Binding | PDSP KiDatabase | 361 | 0 | 1 | 2 | 4.8 | O[C@]1(CCN2[C@@H](C1)c1cccc3c1[C@@H](C2)c1ccccc1CC3)C(C)(C)C | None | ||
| 44591099 | 176166 | 0 | UNDEFINED | -1023 | 6 | Human | 6.6 | pKi | = | 6.6 | Binding | PDSP KiDatabase | 494 | 10 | 0 | 3 | 7.0 | CN(CCC=C1c2ccccc2CCc2ccccc21)Cc1ccc(OCCCN2CCCCC2)cc1 | None | ||
| CHEMBL459350 | 176166 | 0 | UNDEFINED | -1023 | 6 | Human | 6.6 | pKi | = | 6.6 | Binding | PDSP KiDatabase | 494 | 10 | 0 | 3 | 7.0 | CN(CCC=C1c2ccccc2CCc2ccccc21)Cc1ccc(OCCCN2CCCCC2)cc1 | None | ||
| 135398737 | 955 | 93 | 3H-SCH23390 | -89 | 92 | Human | 6.6 | pKi | = | 6.6 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
| 38 | 955 | 93 | 3H-SCH23390 | -89 | 92 | Human | 6.6 | pKi | = | 6.6 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
| 722 | 955 | 93 | 3H-SCH23390 | -89 | 92 | Human | 6.6 | pKi | = | 6.6 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
| CHEMBL42 | 955 | 93 | 3H-SCH23390 | -89 | 92 | Human | 6.6 | pKi | = | 6.6 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
| DB00363 | 955 | 93 | 3H-SCH23390 | -89 | 92 | Human | 6.6 | pKi | = | 6.6 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
| 135409468 | 2022 | 69 | 3H-SCH23390 | -100 | 40 | Human | 6.6 | pKi | = | 6.6 | Binding | PDSP KiDatabase | 312 | 1 | 2 | 4 | 1.7 | Clc1ccc2c(c1)NC(=c1c(=N2)cccc1)N1CCNCC1 | None | ||
| 333 | 2022 | 69 | 3H-SCH23390 | -100 | 40 | Human | 6.6 | pKi | = | 6.6 | Binding | PDSP KiDatabase | 312 | 1 | 2 | 4 | 1.7 | Clc1ccc2c(c1)NC(=c1c(=N2)cccc1)N1CCNCC1 | None | ||
| CHEMBL845 | 2022 | 69 | 3H-SCH23390 | -100 | 40 | Human | 6.6 | pKi | = | 6.6 | Binding | PDSP KiDatabase | 312 | 1 | 2 | 4 | 1.7 | Clc1ccc2c(c1)NC(=c1c(=N2)cccc1)N1CCNCC1 | None | ||
| 186 | 1794 | 52 | 3H-SCH23390 | -478 | 17 | Human | 5.5 | pKi | = | 5.5 | Binding | PDSP KiDatabase | 295 | 5 | 1 | 2 | 3.7 | OC(c1ccccc1)C1CCN(CC1)CCc1ccccc1 | None | ||
| 71781 | 1794 | 52 | 3H-SCH23390 | -478 | 17 | Human | 5.5 | pKi | = | 5.5 | Binding | PDSP KiDatabase | 295 | 5 | 1 | 2 | 3.7 | OC(c1ccccc1)C1CCN(CC1)CCc1ccccc1 | None | ||
| CHEMBL18972 | 1794 | 52 | 3H-SCH23390 | -478 | 17 | Human | 5.5 | pKi | = | 5.5 | Binding | PDSP KiDatabase | 295 | 5 | 1 | 2 | 3.7 | OC(c1ccccc1)C1CCN(CC1)CCc1ccccc1 | None | ||
| 115237 | 55555 | 119 | 3H-SCH23390 | -63 | 55 | Human | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 426 | 4 | 1 | 7 | 3.1 | Cc1nc2n(c(=O)c1CCN1CCC(c3noc4cc(F)ccc34)CC1)CCCC2O | None | ||
| CHEMBL1621 | 55555 | 119 | 3H-SCH23390 | -63 | 55 | Human | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 426 | 4 | 1 | 7 | 3.1 | Cc1nc2n(c(=O)c1CCN1CCC(c3noc4cc(F)ccc34)CC1)CCCC2O | None | ||
| None | 217134 | 0 | UNDEFINED | -190 | 6 | Human | 6.5 | pKi | = | 6.5 | Binding | PDSP KiDatabase | 532 | 10 | 0 | 4 | 8.0 | CN(CCC=C1C2=CC=CC=C2SC3=C1C=C(C=C3)Cl)CC4=CC=C(C=C4)OCCCN5CCCCC5 | None | ||
| 1588 | 2311 | 27 | 3H-SCH23390 | -13 | 44 | Human | 8.5 | pKi | = | 8.5 | Binding | PDSP KiDatabase | 338 | 3 | 2 | 2 | 2.8 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | None | ||
| 28864 | 2311 | 27 | 3H-SCH23390 | -13 | 44 | Human | 8.5 | pKi | = | 8.5 | Binding | PDSP KiDatabase | 338 | 3 | 2 | 2 | 2.8 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | None | ||
| 43 | 2311 | 27 | 3H-SCH23390 | -13 | 44 | Human | 8.5 | pKi | = | 8.5 | Binding | PDSP KiDatabase | 338 | 3 | 2 | 2 | 2.8 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | None | ||
| CHEMBL157138 | 2311 | 27 | 3H-SCH23390 | -13 | 44 | Human | 8.5 | pKi | = | 8.5 | Binding | PDSP KiDatabase | 338 | 3 | 2 | 2 | 2.8 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | None | ||
| DB00589 | 2311 | 27 | 3H-SCH23390 | -13 | 44 | Human | 8.5 | pKi | = | 8.5 | Binding | PDSP KiDatabase | 338 | 3 | 2 | 2 | 2.8 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | None | ||
| 100 | 3776 | 58 | 3H-SCH23390 | -85 | 56 | Human | 6.5 | pKi | = | 6.5 | Binding | PDSP KiDatabase | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | None | ||
| 2637 | 3776 | 58 | 3H-SCH23390 | -85 | 56 | Human | 6.5 | pKi | = | 6.5 | Binding | PDSP KiDatabase | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | None | ||
| 5452 | 3776 | 58 | 3H-SCH23390 | -85 | 56 | Human | 6.5 | pKi | = | 6.5 | Binding | PDSP KiDatabase | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | None | ||
| CHEMBL479 | 3776 | 58 | 3H-SCH23390 | -85 | 56 | Human | 6.5 | pKi | = | 6.5 | Binding | PDSP KiDatabase | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | None | ||
| DB00679 | 3776 | 58 | 3H-SCH23390 | -85 | 56 | Human | 6.5 | pKi | = | 6.5 | Binding | PDSP KiDatabase | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | None | ||
| 5 | 139 | 72 | 3H-SCH23390 | -7244 | 55 | Human | 5.5 | pKi | = | 5.5 | Binding | PDSP KiDatabase | 176 | 2 | 3 | 2 | 1.4 | NCCc1c[nH]c2c1cc(O)cc2 | None | ||
| 5202 | 139 | 72 | 3H-SCH23390 | -7244 | 55 | Human | 5.5 | pKi | = | 5.5 | Binding | PDSP KiDatabase | 176 | 2 | 3 | 2 | 1.4 | NCCc1c[nH]c2c1cc(O)cc2 | None | ||
| CHEMBL39 | 139 | 72 | 3H-SCH23390 | -7244 | 55 | Human | 5.5 | pKi | = | 5.5 | Binding | PDSP KiDatabase | 176 | 2 | 3 | 2 | 1.4 | NCCc1c[nH]c2c1cc(O)cc2 | None | ||
| DB08839 | 139 | 72 | 3H-SCH23390 | -7244 | 55 | Human | 5.5 | pKi | = | 5.5 | Binding | PDSP KiDatabase | 176 | 2 | 3 | 2 | 1.4 | NCCc1c[nH]c2c1cc(O)cc2 | None | ||
| 3294 | 1993 | 111 | 3H-SCH23390 | -66 | 45 | Human | 6.5 | pKi | = | 6.5 | Binding | PDSP KiDatabase | 426 | 8 | 0 | 6 | 4.8 | COc1cc(ccc1OCCCN1CCC(CC1)c1noc2c1ccc(c2)F)C(=O)C | None | ||
| 71360 | 1993 | 111 | 3H-SCH23390 | -66 | 45 | Human | 6.5 | pKi | = | 6.5 | Binding | PDSP KiDatabase | 426 | 8 | 0 | 6 | 4.8 | COc1cc(ccc1OCCCN1CCC(CC1)c1noc2c1ccc(c2)F)C(=O)C | None | ||
| 87 | 1993 | 111 | 3H-SCH23390 | -66 | 45 | Human | 6.5 | pKi | = | 6.5 | Binding | PDSP KiDatabase | 426 | 8 | 0 | 6 | 4.8 | COc1cc(ccc1OCCCN1CCC(CC1)c1noc2c1ccc(c2)F)C(=O)C | None | ||
| CHEMBL14376 | 1993 | 111 | 3H-SCH23390 | -66 | 45 | Human | 6.5 | pKi | = | 6.5 | Binding | PDSP KiDatabase | 426 | 8 | 0 | 6 | 4.8 | COc1cc(ccc1OCCCN1CCC(CC1)c1noc2c1ccc(c2)F)C(=O)C | None | ||
| DB04946 | 1993 | 111 | 3H-SCH23390 | -66 | 45 | Human | 6.5 | pKi | = | 6.5 | Binding | PDSP KiDatabase | 426 | 8 | 0 | 6 | 4.8 | COc1cc(ccc1OCCCN1CCC(CC1)c1noc2c1ccc(c2)F)C(=O)C | None | ||
| 2105 | 3032 | 37 | 3H-SCH23390 | -125 | 33 | Human | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 314 | 4 | 1 | 2 | 4.3 | CCCN1C[C@H](CSC)C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3 | None | ||
| 47811 | 3032 | 37 | 3H-SCH23390 | -125 | 33 | Human | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 314 | 4 | 1 | 2 | 4.3 | CCCN1C[C@H](CSC)C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3 | None | ||
| 48 | 3032 | 37 | 3H-SCH23390 | -125 | 33 | Human | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 314 | 4 | 1 | 2 | 4.3 | CCCN1C[C@H](CSC)C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3 | None | ||
| CHEMBL531 | 3032 | 37 | 3H-SCH23390 | -125 | 33 | Human | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 314 | 4 | 1 | 2 | 4.3 | CCCN1C[C@H](CSC)C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3 | None | ||
| DB01186 | 3032 | 37 | 3H-SCH23390 | -125 | 33 | Human | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 314 | 4 | 1 | 2 | 4.3 | CCCN1C[C@H](CSC)C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3 | None | ||
| 1621 | 2413 | 17 | 3H-SCH23390 | -1096 | 45 | Rat | 6.5 | pKi | = | 6.5 | Binding | PDSP KiDatabase | 323 | 3 | 1 | 2 | 2.9 | CCN(C(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | None | ||
| 17 | 2413 | 17 | 3H-SCH23390 | -1096 | 45 | Rat | 6.5 | pKi | = | 6.5 | Binding | PDSP KiDatabase | 323 | 3 | 1 | 2 | 2.9 | CCN(C(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | None | ||
| 5761 | 2413 | 17 | 3H-SCH23390 | -1096 | 45 | Rat | 6.5 | pKi | = | 6.5 | Binding | PDSP KiDatabase | 323 | 3 | 1 | 2 | 2.9 | CCN(C(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | None | ||
| CHEMBL263881 | 2413 | 17 | 3H-SCH23390 | -1096 | 45 | Rat | 6.5 | pKi | = | 6.5 | Binding | PDSP KiDatabase | 323 | 3 | 1 | 2 | 2.9 | CCN(C(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | None | ||
| DB04829 | 2413 | 17 | 3H-SCH23390 | -1096 | 45 | Rat | 6.5 | pKi | = | 6.5 | Binding | PDSP KiDatabase | 323 | 3 | 1 | 2 | 2.9 | CCN(C(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | None | ||
| 104870 | 98852 | 47 | 3H-SCH23390 | -7 | 21 | Human | 5.5 | pKi | = | 5.5 | Binding | PDSP KiDatabase | 209 | 2 | 1 | 4 | 1.3 | C=CCN1CCc2nc(N)sc2CC1 | None | ||
| 5374 | 98852 | 47 | 3H-SCH23390 | -7 | 21 | Human | 5.5 | pKi | = | 5.5 | Binding | PDSP KiDatabase | 209 | 2 | 1 | 4 | 1.3 | C=CCN1CCc2nc(N)sc2CC1 | None | ||
| CHEMBL279085 | 98852 | 47 | 3H-SCH23390 | -7 | 21 | Human | 5.5 | pKi | = | 5.5 | Binding | PDSP KiDatabase | 209 | 2 | 1 | 4 | 1.3 | C=CCN1CCc2nc(N)sc2CC1 | None | ||
| 5018 | 3523 | 13 | 3H-SCH23390 | -2 | 10 | Human | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 287 | 1 | 1 | 2 | 3.7 | CN1CCc2c(C(C1)c1ccccc1)cc(c(c2)Cl)O | None | ||
| 943 | 3523 | 13 | 3H-SCH23390 | -2 | 10 | Human | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 287 | 1 | 1 | 2 | 3.7 | CN1CCc2c(C(C1)c1ccccc1)cc(c(c2)Cl)O | None | ||
| 946 | 3523 | 13 | 3H-SCH23390 | -2 | 10 | Human | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 287 | 1 | 1 | 2 | 3.7 | CN1CCc2c(C(C1)c1ccccc1)cc(c(c2)Cl)O | None | ||
| CHEMBL13668 | 3523 | 13 | 3H-SCH23390 | -2 | 10 | Human | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 287 | 1 | 1 | 2 | 3.7 | CN1CCc2c(C(C1)c1ccccc1)cc(c(c2)Cl)O | None | ||
| 25058166 | 215935 | 0 | 3H-SCH23390 | -37 | 27 | Human | 6.4 | pKi | = | 6.4 | Binding | PDSP KiDatabase | 267 | 0 | 2 | 3 | 2.9 | CN1CCC2=CC=CC3=C2C1CC4=C3C(=C(C=C4)O)O | None | ||
| 6852389 | 215935 | 0 | 3H-SCH23390 | -37 | 27 | Human | 6.4 | pKi | = | 6.4 | Binding | PDSP KiDatabase | 267 | 0 | 2 | 3 | 2.9 | CN1CCC2=CC=CC3=C2C1CC4=C3C(=C(C=C4)O)O | None | ||
| 2402 | 3345 | 62 | None | -81 | 25 | Human | 8.4 | pKi | = | 8.4 | Binding | Drug Central | 260 | 7 | 1 | 2 | 3.5 | CCCN(CCC)CCc1cccc2c1CC(=N2)O | None | ||
| 5095 | 3345 | 62 | None | -81 | 25 | Human | 8.4 | pKi | = | 8.4 | Binding | Drug Central | 260 | 7 | 1 | 2 | 3.5 | CCCN(CCC)CCc1cccc2c1CC(=N2)O | None | ||
| 7295 | 3345 | 62 | None | -81 | 25 | Human | 8.4 | pKi | = | 8.4 | Binding | Drug Central | 260 | 7 | 1 | 2 | 3.5 | CCCN(CCC)CCc1cccc2c1CC(=N2)O | None | ||
| CHEMBL589 | 3345 | 62 | None | -81 | 25 | Human | 8.4 | pKi | = | 8.4 | Binding | Drug Central | 260 | 7 | 1 | 2 | 3.5 | CCCN(CCC)CCc1cccc2c1CC(=N2)O | None | ||
| DB00268 | 3345 | 62 | None | -81 | 25 | Human | 8.4 | pKi | = | 8.4 | Binding | Drug Central | 260 | 7 | 1 | 2 | 3.5 | CCCN(CCC)CCc1cccc2c1CC(=N2)O | None | ||
| 6917970 | 3665 | 61 | 3H-SCH23390 | 1 | 34 | Human | 8.4 | pKi | = | 8.4 | Binding | PDSP KiDatabase | 327 | 2 | 2 | 5 | 2.8 | COc1cc2CCN3[C@H](c2cc1O)Cc1c(C3)c(OC)c(cc1)O | None | ||
| 8370 | 3665 | 61 | 3H-SCH23390 | 1 | 34 | Human | 8.4 | pKi | = | 8.4 | Binding | PDSP KiDatabase | 327 | 2 | 2 | 5 | 2.8 | COc1cc2CCN3[C@H](c2cc1O)Cc1c(C3)c(OC)c(cc1)O | None | ||
| CHEMBL487387 | 3665 | 61 | 3H-SCH23390 | 1 | 34 | Human | 8.4 | pKi | = | 8.4 | Binding | PDSP KiDatabase | 327 | 2 | 2 | 5 | 2.8 | COc1cc2CCN3[C@H](c2cc1O)Cc1c(C3)c(OC)c(cc1)O | None | ||
| 4011 | 82379 | 49 | UNDEFINED | -57 | 24 | Human | 6.4 | pKi | = | 6.4 | Binding | PDSP KiDatabase | 277 | 4 | 1 | 1 | 4.2 | CNCCCC12CCC(c3ccccc31)c1ccccc12 | None | ||
| CHEMBL21731 | 82379 | 49 | UNDEFINED | -57 | 24 | Human | 6.4 | pKi | = | 6.4 | Binding | PDSP KiDatabase | 277 | 4 | 1 | 1 | 4.2 | CNCCCC12CCC(c3ccccc31)c1ccccc12 | None | ||
| 2470 | 3626 | 50 | 3H-SCH23390 | -14791 | 60 | Human | 5.4 | pKi | = | 5.4 | Binding | PDSP KiDatabase | 395 | 6 | 1 | 4 | 3.2 | Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | None | ||
| 3300 | 3626 | 50 | 3H-SCH23390 | -14791 | 60 | Human | 5.4 | pKi | = | 5.4 | Binding | PDSP KiDatabase | 395 | 6 | 1 | 4 | 3.2 | Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | None | ||
| 5265 | 3626 | 50 | 3H-SCH23390 | -14791 | 60 | Human | 5.4 | pKi | = | 5.4 | Binding | PDSP KiDatabase | 395 | 6 | 1 | 4 | 3.2 | Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | None | ||
| 99 | 3626 | 50 | 3H-SCH23390 | -14791 | 60 | Human | 5.4 | pKi | = | 5.4 | Binding | PDSP KiDatabase | 395 | 6 | 1 | 4 | 3.2 | Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | None | ||
| CHEMBL267930 | 3626 | 50 | 3H-SCH23390 | -14791 | 60 | Human | 5.4 | pKi | = | 5.4 | Binding | PDSP KiDatabase | 395 | 6 | 1 | 4 | 3.2 | Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | None | ||
| 31101 | 726 | 40 | 3H-SCH23390 | -239 | 36 | Human | 6.3 | pKi | = | 6.3 | Binding | PDSP KiDatabase | 653 | 5 | 3 | 6 | 3.2 | CC(C[C@H]1C(=O)N2CCC[C@H]2[C@]2(N1C(=O)[C@@](O2)(NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c([nH]3)Br)C(C)C)O)C | None | ||
| 35 | 726 | 40 | 3H-SCH23390 | -239 | 36 | Human | 6.3 | pKi | = | 6.3 | Binding | PDSP KiDatabase | 653 | 5 | 3 | 6 | 3.2 | CC(C[C@H]1C(=O)N2CCC[C@H]2[C@]2(N1C(=O)[C@@](O2)(NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c([nH]3)Br)C(C)C)O)C | None | ||
| 403 | 726 | 40 | 3H-SCH23390 | -239 | 36 | Human | 6.3 | pKi | = | 6.3 | Binding | PDSP KiDatabase | 653 | 5 | 3 | 6 | 3.2 | CC(C[C@H]1C(=O)N2CCC[C@H]2[C@]2(N1C(=O)[C@@](O2)(NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c([nH]3)Br)C(C)C)O)C | None | ||
| CHEMBL493 | 726 | 40 | 3H-SCH23390 | -239 | 36 | Human | 6.3 | pKi | = | 6.3 | Binding | PDSP KiDatabase | 653 | 5 | 3 | 6 | 3.2 | CC(C[C@H]1C(=O)N2CCC[C@H]2[C@]2(N1C(=O)[C@@](O2)(NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c([nH]3)Br)C(C)C)O)C | None | ||
| DB01200 | 726 | 40 | 3H-SCH23390 | -239 | 36 | Human | 6.3 | pKi | = | 6.3 | Binding | PDSP KiDatabase | 653 | 5 | 3 | 6 | 3.2 | CC(C[C@H]1C(=O)N2CCC[C@H]2[C@]2(N1C(=O)[C@@](O2)(NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c([nH]3)Br)C(C)C)O)C | None | ||
| 1353 | 1898 | 93 | 3H-SCH23390 | -54 | 86 | Human | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | None | ||
| 3559 | 1898 | 93 | 3H-SCH23390 | -54 | 86 | Human | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | None | ||
| 86 | 1898 | 93 | 3H-SCH23390 | -54 | 86 | Human | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | None | ||
| CHEMBL54 | 1898 | 93 | 3H-SCH23390 | -54 | 86 | Human | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | None | ||
| DB00502 | 1898 | 93 | 3H-SCH23390 | -54 | 86 | Human | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | None | ||
| 11154555 | 797 | 62 | None | -870 | 12 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 426 | 5 | 1 | 3 | 4.3 | O=C(N(C)C)N[C@@H]1CC[C@H](CC1)CCN1CCN(CC1)c1cccc(c1Cl)Cl | None | ||
| 5037 | 797 | 62 | None | -870 | 12 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 426 | 5 | 1 | 3 | 4.3 | O=C(N(C)C)N[C@@H]1CC[C@H](CC1)CCN1CCN(CC1)c1cccc(c1Cl)Cl | None | ||
| 7671 | 797 | 62 | None | -870 | 12 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 426 | 5 | 1 | 3 | 4.3 | O=C(N(C)C)N[C@@H]1CC[C@H](CC1)CCN1CCN(CC1)c1cccc(c1Cl)Cl | None | ||
| CHEMBL2028019 | 797 | 62 | None | -870 | 12 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 426 | 5 | 1 | 3 | 4.3 | O=C(N(C)C)N[C@@H]1CC[C@H](CC1)CCN1CCN(CC1)c1cccc(c1Cl)Cl | None | ||
| CHEMBL3085826 | 797 | 62 | None | -870 | 12 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 426 | 5 | 1 | 3 | 4.3 | O=C(N(C)C)N[C@@H]1CC[C@H](CC1)CCN1CCN(CC1)c1cccc(c1Cl)Cl | None | ||
| DB06016 | 797 | 62 | None | -870 | 12 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 426 | 5 | 1 | 3 | 4.3 | O=C(N(C)C)N[C@@H]1CC[C@H](CC1)CCN1CCN(CC1)c1cccc(c1Cl)Cl | None | ||
| 2470 | 3626 | 50 | None | -14791 | 60 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 395 | 6 | 1 | 4 | 3.2 | Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | None | ||
| 3300 | 3626 | 50 | None | -14791 | 60 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 395 | 6 | 1 | 4 | 3.2 | Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | None | ||
| 5265 | 3626 | 50 | None | -14791 | 60 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 395 | 6 | 1 | 4 | 3.2 | Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | None | ||
| 99 | 3626 | 50 | None | -14791 | 60 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 395 | 6 | 1 | 4 | 3.2 | Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | None | ||
| CHEMBL267930 | 3626 | 50 | None | -14791 | 60 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 395 | 6 | 1 | 4 | 3.2 | Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | None | ||
| 104870 | 98852 | 47 | None | -7 | 21 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 209 | 2 | 1 | 4 | 1.3 | C=CCN1CCc2nc(N)sc2CC1 | None | ||
| 5374 | 98852 | 47 | None | -7 | 21 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 209 | 2 | 1 | 4 | 1.3 | C=CCN1CCc2nc(N)sc2CC1 | None | ||
| CHEMBL279085 | 98852 | 47 | None | -7 | 21 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 209 | 2 | 1 | 4 | 1.3 | C=CCN1CCc2nc(N)sc2CC1 | None | ||
| 1524 | 2168 | 96 | None | -251 | 52 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 395 | 5 | 1 | 5 | 2.4 | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)cccc2 | None | ||
| 197 | 2168 | 96 | None | -251 | 52 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 395 | 5 | 1 | 5 | 2.4 | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)cccc2 | None | ||
| 3822 | 2168 | 96 | None | -251 | 52 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 395 | 5 | 1 | 5 | 2.4 | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)cccc2 | None | ||
| 88 | 2168 | 96 | None | -251 | 52 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 395 | 5 | 1 | 5 | 2.4 | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)cccc2 | None | ||
| CHEMBL51 | 2168 | 96 | None | -251 | 52 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 395 | 5 | 1 | 5 | 2.4 | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)cccc2 | None | ||
| DB12465 | 2168 | 96 | None | -251 | 52 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 395 | 5 | 1 | 5 | 2.4 | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)cccc2 | None | ||
| 100 | 3776 | 58 | None | -85 | 56 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | None | ||
| 2637 | 3776 | 58 | None | -85 | 56 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | None | ||
| 5452 | 3776 | 58 | None | -85 | 56 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | None | ||
| CHEMBL479 | 3776 | 58 | None | -85 | 56 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | None | ||
| DB00679 | 3776 | 58 | None | -85 | 56 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | None | ||
| 242 | 469 | 124 | None | -380 | 52 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | None | ||
| 34 | 469 | 124 | None | -380 | 52 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | None | ||
| 60795 | 469 | 124 | None | -380 | 52 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | None | ||
| CHEMBL1112 | 469 | 124 | None | -380 | 52 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | None | ||
| DB01238 | 469 | 124 | None | -380 | 52 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | None | ||
| 2337 | 3232 | 77 | None | -27 | 63 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | None | ||
| 50 | 3232 | 77 | None | -27 | 63 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | None | ||
| 5002 | 3232 | 77 | None | -27 | 63 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | None | ||
| CHEMBL716 | 3232 | 77 | None | -27 | 63 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | None | ||
| DB01224 | 3232 | 77 | None | -27 | 63 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | None | ||
| 31101 | 726 | 40 | 3H-SCH23390 | -239 | 36 | Human | 6.3 | pKi | = | 6.3 | Binding | PDSP KiDatabase | 653 | 5 | 3 | 6 | 3.2 | CC(C[C@H]1C(=O)N2CCC[C@H]2[C@]2(N1C(=O)[C@@](O2)(NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c([nH]3)Br)C(C)C)O)C | None | ||
| 35 | 726 | 40 | 3H-SCH23390 | -239 | 36 | Human | 6.3 | pKi | = | 6.3 | Binding | PDSP KiDatabase | 653 | 5 | 3 | 6 | 3.2 | CC(C[C@H]1C(=O)N2CCC[C@H]2[C@]2(N1C(=O)[C@@](O2)(NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c([nH]3)Br)C(C)C)O)C | None | ||
| 403 | 726 | 40 | 3H-SCH23390 | -239 | 36 | Human | 6.3 | pKi | = | 6.3 | Binding | PDSP KiDatabase | 653 | 5 | 3 | 6 | 3.2 | CC(C[C@H]1C(=O)N2CCC[C@H]2[C@]2(N1C(=O)[C@@](O2)(NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c([nH]3)Br)C(C)C)O)C | None | ||
| CHEMBL493 | 726 | 40 | 3H-SCH23390 | -239 | 36 | Human | 6.3 | pKi | = | 6.3 | Binding | PDSP KiDatabase | 653 | 5 | 3 | 6 | 3.2 | CC(C[C@H]1C(=O)N2CCC[C@H]2[C@]2(N1C(=O)[C@@](O2)(NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c([nH]3)Br)C(C)C)O)C | None | ||
| DB01200 | 726 | 40 | 3H-SCH23390 | -239 | 36 | Human | 6.3 | pKi | = | 6.3 | Binding | PDSP KiDatabase | 653 | 5 | 3 | 6 | 3.2 | CC(C[C@H]1C(=O)N2CCC[C@H]2[C@]2(N1C(=O)[C@@](O2)(NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c([nH]3)Br)C(C)C)O)C | None | ||
| 2389 | 3306 | 118 | 3H-SCH23390 | -239 | 68 | Human | 6.3 | pKi | = | 6.3 | Binding | PDSP KiDatabase | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | None | ||
| 5073 | 3306 | 118 | 3H-SCH23390 | -239 | 68 | Human | 6.3 | pKi | = | 6.3 | Binding | PDSP KiDatabase | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | None | ||
| 96 | 3306 | 118 | 3H-SCH23390 | -239 | 68 | Human | 6.3 | pKi | = | 6.3 | Binding | PDSP KiDatabase | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | None | ||
| CHEMBL85 | 3306 | 118 | 3H-SCH23390 | -239 | 68 | Human | 6.3 | pKi | = | 6.3 | Binding | PDSP KiDatabase | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | None | ||
| DB00734 | 3306 | 118 | 3H-SCH23390 | -239 | 68 | Human | 6.3 | pKi | = | 6.3 | Binding | PDSP KiDatabase | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | None | ||
| 2407 | 3347 | 76 | None | -83 | 7 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 315 | 6 | 1 | 3 | 4.3 | CCCN([C@H]1CCc2c(C1)cccc2O)CCc1cccs1 | None | ||
| 59227 | 3347 | 76 | None | -83 | 7 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 315 | 6 | 1 | 3 | 4.3 | CCCN([C@H]1CCc2c(C1)cccc2O)CCc1cccs1 | None | ||
| 941 | 3347 | 76 | None | -83 | 7 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 315 | 6 | 1 | 3 | 4.3 | CCCN([C@H]1CCc2c(C1)cccc2O)CCc1cccs1 | None | ||
| CHEMBL1303 | 3347 | 76 | None | -83 | 7 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 315 | 6 | 1 | 3 | 4.3 | CCCN([C@H]1CCc2c(C1)cccc2O)CCc1cccs1 | None | ||
| DB05271 | 3347 | 76 | None | -83 | 7 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 315 | 6 | 1 | 3 | 4.3 | CCCN([C@H]1CCc2c(C1)cccc2O)CCc1cccs1 | None | ||
| 31101 | 726 | 40 | None | -239 | 36 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 653 | 5 | 3 | 6 | 3.2 | CC(C[C@H]1C(=O)N2CCC[C@H]2[C@]2(N1C(=O)[C@@](O2)(NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c([nH]3)Br)C(C)C)O)C | None | ||
| 35 | 726 | 40 | None | -239 | 36 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 653 | 5 | 3 | 6 | 3.2 | CC(C[C@H]1C(=O)N2CCC[C@H]2[C@]2(N1C(=O)[C@@](O2)(NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c([nH]3)Br)C(C)C)O)C | None | ||
| 403 | 726 | 40 | None | -239 | 36 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 653 | 5 | 3 | 6 | 3.2 | CC(C[C@H]1C(=O)N2CCC[C@H]2[C@]2(N1C(=O)[C@@](O2)(NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c([nH]3)Br)C(C)C)O)C | None | ||
| CHEMBL493 | 726 | 40 | None | -239 | 36 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 653 | 5 | 3 | 6 | 3.2 | CC(C[C@H]1C(=O)N2CCC[C@H]2[C@]2(N1C(=O)[C@@](O2)(NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c([nH]3)Br)C(C)C)O)C | None | ||
| DB01200 | 726 | 40 | None | -239 | 36 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 653 | 5 | 3 | 6 | 3.2 | CC(C[C@H]1C(=O)N2CCC[C@H]2[C@]2(N1C(=O)[C@@](O2)(NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c([nH]3)Br)C(C)C)O)C | None | ||
| 4011 | 82379 | 49 | None | -57 | 24 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 277 | 4 | 1 | 1 | 4.2 | CNCCCC12CCC(c3ccccc31)c1ccccc12 | None | ||
| CHEMBL21731 | 82379 | 49 | None | -57 | 24 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 277 | 4 | 1 | 1 | 4.2 | CNCCCC12CCC(c3ccccc31)c1ccccc12 | None | ||
| 7077 | 66929 | 27 | None | -4 | 5 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 255 | 6 | 0 | 2 | 3.2 | CN(C)CCOc1ccccc1Cc1ccccc1 | None | ||
| CHEMBL186720 | 66929 | 27 | None | -4 | 5 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 255 | 6 | 0 | 2 | 3.2 | CN(C)CCOc1ccccc1Cc1ccccc1 | None | ||
| CHEMBL3925724 | 66929 | 27 | None | -4 | 5 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 255 | 6 | 0 | 2 | 3.2 | CN(C)CCOc1ccccc1Cc1ccccc1 | None | ||
| 1621 | 2413 | 17 | None | -151 | 45 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 323 | 3 | 1 | 2 | 2.9 | CCN(C(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | None | ||
| 17 | 2413 | 17 | None | -151 | 45 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 323 | 3 | 1 | 2 | 2.9 | CCN(C(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | None | ||
| 5761 | 2413 | 17 | None | -151 | 45 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 323 | 3 | 1 | 2 | 2.9 | CCN(C(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | None | ||
| CHEMBL263881 | 2413 | 17 | None | -151 | 45 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 323 | 3 | 1 | 2 | 2.9 | CCN(C(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | None | ||
| DB04829 | 2413 | 17 | None | -151 | 45 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 323 | 3 | 1 | 2 | 2.9 | CCN(C(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | None | ||
| 3294 | 1993 | 111 | None | -66 | 45 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 426 | 8 | 0 | 6 | 4.8 | COc1cc(ccc1OCCCN1CCC(CC1)c1noc2c1ccc(c2)F)C(=O)C | None | ||
| 71360 | 1993 | 111 | None | -66 | 45 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 426 | 8 | 0 | 6 | 4.8 | COc1cc(ccc1OCCCN1CCC(CC1)c1noc2c1ccc(c2)F)C(=O)C | None | ||
| 87 | 1993 | 111 | None | -66 | 45 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 426 | 8 | 0 | 6 | 4.8 | COc1cc(ccc1OCCCN1CCC(CC1)c1noc2c1ccc(c2)F)C(=O)C | None | ||
| CHEMBL14376 | 1993 | 111 | None | -66 | 45 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 426 | 8 | 0 | 6 | 4.8 | COc1cc(ccc1OCCCN1CCC(CC1)c1noc2c1ccc(c2)F)C(=O)C | None | ||
| DB04946 | 1993 | 111 | None | -66 | 45 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 426 | 8 | 0 | 6 | 4.8 | COc1cc(ccc1OCCCN1CCC(CC1)c1noc2c1ccc(c2)F)C(=O)C | None | ||
| 212 | 3777 | 47 | None | -6 | 25 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 443 | 5 | 0 | 5 | 3.5 | CN1CCN(CC1)CC/C=C\1/c2ccccc2Sc2c1cc(cc2)S(=O)(=O)N(C)C | None | ||
| 2639 | 3777 | 47 | None | -6 | 25 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 443 | 5 | 0 | 5 | 3.5 | CN1CCN(CC1)CC/C=C\1/c2ccccc2Sc2c1cc(cc2)S(=O)(=O)N(C)C | None | ||
| 941651 | 3777 | 47 | None | -6 | 25 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 443 | 5 | 0 | 5 | 3.5 | CN1CCN(CC1)CC/C=C\1/c2ccccc2Sc2c1cc(cc2)S(=O)(=O)N(C)C | None | ||
| CHEMBL1201 | 3777 | 47 | None | -6 | 25 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 443 | 5 | 0 | 5 | 3.5 | CN1CCN(CC1)CC/C=C\1/c2ccccc2Sc2c1cc(cc2)S(=O)(=O)N(C)C | None | ||
| DB01623 | 3777 | 47 | None | -6 | 25 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 443 | 5 | 0 | 5 | 3.5 | CN1CCN(CC1)CC/C=C\1/c2ccccc2Sc2c1cc(cc2)S(=O)(=O)N(C)C | None | ||
| 135398737 | 955 | 93 | None | -89 | 92 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
| 38 | 955 | 93 | None | -89 | 92 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
| 722 | 955 | 93 | None | -89 | 92 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
| CHEMBL42 | 955 | 93 | None | -89 | 92 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
| DB00363 | 955 | 93 | None | -89 | 92 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
| 103 | 4122 | 61 | None | -33 | 54 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 331 | 4 | 0 | 3 | 4.9 | CN(CCOC1=Cc2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
| 2875 | 4122 | 61 | None | -33 | 54 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 331 | 4 | 0 | 3 | 4.9 | CN(CCOC1=Cc2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
| 5736 | 4122 | 61 | None | -33 | 54 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 331 | 4 | 0 | 3 | 4.9 | CN(CCOC1=Cc2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
| CHEMBL285802 | 4122 | 61 | None | -33 | 54 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 331 | 4 | 0 | 3 | 4.9 | CN(CCOC1=Cc2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
| DB09225 | 4122 | 61 | None | -33 | 54 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 331 | 4 | 0 | 3 | 4.9 | CN(CCOC1=Cc2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
| 2105 | 3032 | 37 | None | -125 | 33 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 314 | 4 | 1 | 2 | 4.3 | CCCN1C[C@H](CSC)C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3 | None | ||
| 47811 | 3032 | 37 | None | -125 | 33 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 314 | 4 | 1 | 2 | 4.3 | CCCN1C[C@H](CSC)C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3 | None | ||
| 48 | 3032 | 37 | None | -125 | 33 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 314 | 4 | 1 | 2 | 4.3 | CCCN1C[C@H](CSC)C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3 | None | ||
| CHEMBL531 | 3032 | 37 | None | -125 | 33 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 314 | 4 | 1 | 2 | 4.3 | CCCN1C[C@H](CSC)C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3 | None | ||
| DB01186 | 3032 | 37 | None | -125 | 33 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 314 | 4 | 1 | 2 | 4.3 | CCCN1C[C@H](CSC)C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3 | None | ||
| 180 | 400 | 56 | None | -112 | 40 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | None | ||
| 200 | 400 | 56 | None | -112 | 40 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | None | ||
| 2160 | 400 | 56 | None | -112 | 40 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | None | ||
| CHEMBL629 | 400 | 56 | None | -112 | 40 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | None | ||
| DB00321 | 400 | 56 | None | -112 | 40 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | None | ||
| 2865 | 4112 | 73 | None | -64 | 54 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 412 | 4 | 1 | 5 | 3.8 | O=C1Nc2c(C1)cc(c(c2)Cl)CCN1CCN(CC1)c1nsc2c1cccc2 | None | ||
| 59 | 4112 | 73 | None | -64 | 54 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 412 | 4 | 1 | 5 | 3.8 | O=C1Nc2c(C1)cc(c(c2)Cl)CCN1CCN(CC1)c1nsc2c1cccc2 | None | ||
| 60854 | 4112 | 73 | None | -64 | 54 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 412 | 4 | 1 | 5 | 3.8 | O=C1Nc2c(C1)cc(c(c2)Cl)CCN1CCN(CC1)c1nsc2c1cccc2 | None | ||
| CHEMBL708 | 4112 | 73 | None | -64 | 54 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 412 | 4 | 1 | 5 | 3.8 | O=C1Nc2c(C1)cc(c(c2)Cl)CCN1CCN(CC1)c1nsc2c1cccc2 | None | ||
| DB00246 | 4112 | 73 | None | -64 | 54 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 412 | 4 | 1 | 5 | 3.8 | O=C1Nc2c(C1)cc(c(c2)Cl)CCN1CCN(CC1)c1nsc2c1cccc2 | None | ||
| 33630 | 178933 | 99 | None | -5 | 28 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 523 | 7 | 1 | 2 | 7.5 | OC1(c2ccc(Cl)c(C(F)(F)F)c2)CCN(CCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1 | None | ||
| CHEMBL47050 | 178933 | 99 | None | -5 | 28 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 523 | 7 | 1 | 2 | 7.5 | OC1(c2ccc(Cl)c(C(F)(F)F)c2)CCN(CCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1 | None | ||
| 2726 | 916 | 68 | None | -47 | 73 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
| 621 | 916 | 68 | None | -47 | 73 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
| 83 | 916 | 68 | None | -47 | 73 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
| CHEMBL71 | 916 | 68 | None | -47 | 73 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
| DB00477 | 916 | 68 | None | -47 | 73 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
| 1153 | 1615 | 58 | None | -22 | 10 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 305 | 1 | 4 | 4 | 2.7 | Oc1ccc(cc1)C1CNCCc2c1cc(O)c(c2Cl)O | None | ||
| 12668023 | 1615 | 58 | None | -22 | 10 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 305 | 1 | 4 | 4 | 2.7 | Oc1ccc(cc1)C1CNCCc2c1cc(O)c(c2Cl)O | None | ||
| 30026874 | 1615 | 58 | None | -22 | 10 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 305 | 1 | 4 | 4 | 2.7 | Oc1ccc(cc1)C1CNCCc2c1cc(O)c(c2Cl)O | None | ||
| 30026875 | 1615 | 58 | None | -22 | 10 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 305 | 1 | 4 | 4 | 2.7 | Oc1ccc(cc1)C1CNCCc2c1cc(O)c(c2Cl)O | None | ||
| 3341 | 1615 | 58 | None | -22 | 10 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 305 | 1 | 4 | 4 | 2.7 | Oc1ccc(cc1)C1CNCCc2c1cc(O)c(c2Cl)O | None | ||
| 6603851 | 1615 | 58 | None | -22 | 10 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 305 | 1 | 4 | 4 | 2.7 | Oc1ccc(cc1)C1CNCCc2c1cc(O)c(c2Cl)O | None | ||
| 933 | 1615 | 58 | None | -22 | 10 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 305 | 1 | 4 | 4 | 2.7 | Oc1ccc(cc1)C1CNCCc2c1cc(O)c(c2Cl)O | None | ||
| 939 | 1615 | 58 | None | -22 | 10 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 305 | 1 | 4 | 4 | 2.7 | Oc1ccc(cc1)C1CNCCc2c1cc(O)c(c2Cl)O | None | ||
| 985 | 1615 | 58 | None | -22 | 10 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 305 | 1 | 4 | 4 | 2.7 | Oc1ccc(cc1)C1CNCCc2c1cc(O)c(c2Cl)O | None | ||
| CHEMBL1160786 | 1615 | 58 | None | -22 | 10 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 305 | 1 | 4 | 4 | 2.7 | Oc1ccc(cc1)C1CNCCc2c1cc(O)c(c2Cl)O | None | ||
| CHEMBL1161520 | 1615 | 58 | None | -22 | 10 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 305 | 1 | 4 | 4 | 2.7 | Oc1ccc(cc1)C1CNCCc2c1cc(O)c(c2Cl)O | None | ||
| CHEMBL588 | 1615 | 58 | None | -22 | 10 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 305 | 1 | 4 | 4 | 2.7 | Oc1ccc(cc1)C1CNCCc2c1cc(O)c(c2Cl)O | None | ||
| DB00800 | 1615 | 58 | None | -22 | 10 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 305 | 1 | 4 | 4 | 2.7 | Oc1ccc(cc1)C1CNCCc2c1cc(O)c(c2Cl)O | None | ||
| 2389 | 3306 | 118 | None | -239 | 68 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | None | ||
| 5073 | 3306 | 118 | None | -239 | 68 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | None | ||
| 96 | 3306 | 118 | None | -239 | 68 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | None | ||
| CHEMBL85 | 3306 | 118 | None | -239 | 68 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | None | ||
| DB00734 | 3306 | 118 | None | -239 | 68 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | None | ||
| 135398745 | 2893 | 112 | None | -26 | 66 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | None | ||
| 47 | 2893 | 112 | None | -26 | 66 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | None | ||
| CHEMBL715 | 2893 | 112 | None | -26 | 66 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | None | ||
| DB00334 | 2893 | 112 | None | -26 | 66 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | None | ||
| 1613 | 2333 | 53 | None | -6 | 45 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 327 | 0 | 0 | 4 | 3.8 | CN1CCN(CC1)C1=Nc2ccccc2Oc2c1cc(Cl)cc2 | None | ||
| 205 | 2333 | 53 | None | -6 | 45 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 327 | 0 | 0 | 4 | 3.8 | CN1CCN(CC1)C1=Nc2ccccc2Oc2c1cc(Cl)cc2 | None | ||
| 3964 | 2333 | 53 | None | -6 | 45 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 327 | 0 | 0 | 4 | 3.8 | CN1CCN(CC1)C1=Nc2ccccc2Oc2c1cc(Cl)cc2 | None | ||
| CHEMBL831 | 2333 | 53 | None | -6 | 45 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 327 | 0 | 0 | 4 | 3.8 | CN1CCN(CC1)C1=Nc2ccccc2Oc2c1cc(Cl)cc2 | None | ||
| DB00408 | 2333 | 53 | None | -6 | 45 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 327 | 0 | 0 | 4 | 3.8 | CN1CCN(CC1)C1=Nc2ccccc2Oc2c1cc(Cl)cc2 | None | ||
| 1353 | 1898 | 93 | None | -54 | 86 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | None | ||
| 3559 | 1898 | 93 | None | -54 | 86 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | None | ||
| 86 | 1898 | 93 | None | -54 | 86 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | None | ||
| CHEMBL54 | 1898 | 93 | None | -54 | 86 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | None | ||
| DB00502 | 1898 | 93 | None | -54 | 86 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | None | ||
| 115237 | 55555 | 119 | None | -63 | 55 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 426 | 4 | 1 | 7 | 3.1 | Cc1nc2n(c(=O)c1CCN1CCC(c3noc4cc(F)ccc34)CC1)CCCC2O | None | ||
| CHEMBL1621 | 55555 | 119 | None | -63 | 55 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 426 | 4 | 1 | 7 | 3.1 | Cc1nc2n(c(=O)c1CCN1CCC(c3noc4cc(F)ccc34)CC1)CCCC2O | None | ||
| 133538 | 3592 | 24 | 3H-SCH23390 | -6 | 6 | Human | 8.1 | pKi | = | 8.1 | Binding | PDSP KiDatabase | 317 | 1 | 2 | 3 | 3.7 | CN1CCc2c(C(C1)c1cccc(c1)C)cc(c(c2Cl)O)O | None | ||
| 8443 | 3592 | 24 | 3H-SCH23390 | -6 | 6 | Human | 8.1 | pKi | = | 8.1 | Binding | PDSP KiDatabase | 317 | 1 | 2 | 3 | 3.7 | CN1CCc2c(C(C1)c1cccc(c1)C)cc(c(c2Cl)O)O | None | ||
| CHEMBL574558 | 3592 | 24 | 3H-SCH23390 | -6 | 6 | Human | 8.1 | pKi | = | 8.1 | Binding | PDSP KiDatabase | 317 | 1 | 2 | 3 | 3.7 | CN1CCc2c(C(C1)c1cccc(c1)C)cc(c(c2Cl)O)O | None | ||
| 37 | 775 | 60 | None | -5 | 17 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 451 | 8 | 2 | 4 | 3.2 | C=CCN1C[C@@H](C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3)C(=O)N(C(=O)NCC)CCCN(C)C | None | ||
| 460 | 775 | 60 | None | -5 | 17 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 451 | 8 | 2 | 4 | 3.2 | C=CCN1C[C@@H](C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3)C(=O)N(C(=O)NCC)CCCN(C)C | None | ||
| 54746 | 775 | 60 | None | -5 | 17 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 451 | 8 | 2 | 4 | 3.2 | C=CCN1C[C@@H](C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3)C(=O)N(C(=O)NCC)CCCN(C)C | None | ||
| CHEMBL1201087 | 775 | 60 | None | -5 | 17 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 451 | 8 | 2 | 4 | 3.2 | C=CCN1C[C@@H](C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3)C(=O)N(C(=O)NCC)CCCN(C)C | None | ||
| DB00248 | 775 | 60 | None | -5 | 17 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 451 | 8 | 2 | 4 | 3.2 | C=CCN1C[C@@H](C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3)C(=O)N(C(=O)NCC)CCCN(C)C | None | ||
| 228 | 444 | 28 | None | -3 | 24 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 267 | 0 | 2 | 3 | 2.9 | CN1CCc2c3[C@H]1Cc1ccc(c(c1c3ccc2)O)O | None | ||
| 33 | 444 | 28 | None | -3 | 24 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 267 | 0 | 2 | 3 | 2.9 | CN1CCc2c3[C@H]1Cc1ccc(c(c1c3ccc2)O)O | None | ||
| 6005 | 444 | 28 | None | -3 | 24 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 267 | 0 | 2 | 3 | 2.9 | CN1CCc2c3[C@H]1Cc1ccc(c(c1c3ccc2)O)O | None | ||
| CHEMBL53 | 444 | 28 | None | -3 | 24 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 267 | 0 | 2 | 3 | 2.9 | CN1CCc2c3[C@H]1Cc1ccc(c(c1c3ccc2)O)O | None | ||
| DB00714 | 444 | 28 | None | -3 | 24 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 267 | 0 | 2 | 3 | 2.9 | CN1CCc2c3[C@H]1Cc1ccc(c(c1c3ccc2)O)O | None | ||
| 1212 | 1649 | 50 | None | -28 | 66 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | None | ||
| 204 | 1649 | 50 | None | -28 | 66 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | None | ||
| 3372 | 1649 | 50 | None | -28 | 66 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | None | ||
| CHEMBL726 | 1649 | 50 | None | -28 | 66 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | None | ||
| DB00623 | 1649 | 50 | None | -28 | 66 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | None | ||
| 3389 | 217683 | 0 | None | -1 | 26 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 549 | 12 | 0 | 6 | 6.8 | CCCCCCC(=O)OCCN1CCN(CCCN2C3=CC=CC=C3SC3=C2C=C(C=C3)C(F)(F)F)CC1 | None | ||
| 135398745 | 2893 | 112 | 3H-SCH23390 | -26 | 66 | Human | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | None | ||
| 47 | 2893 | 112 | 3H-SCH23390 | -26 | 66 | Human | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | None | ||
| CHEMBL715 | 2893 | 112 | 3H-SCH23390 | -26 | 66 | Human | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | None | ||
| DB00334 | 2893 | 112 | 3H-SCH23390 | -26 | 66 | Human | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | None | ||
| 1613 | 2333 | 53 | 3H-SCH23390 | -6 | 45 | Human | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 327 | 0 | 0 | 4 | 3.8 | CN1CCN(CC1)C1=Nc2ccccc2Oc2c1cc(Cl)cc2 | None | ||
| 205 | 2333 | 53 | 3H-SCH23390 | -6 | 45 | Human | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 327 | 0 | 0 | 4 | 3.8 | CN1CCN(CC1)C1=Nc2ccccc2Oc2c1cc(Cl)cc2 | None | ||
| 3964 | 2333 | 53 | 3H-SCH23390 | -6 | 45 | Human | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 327 | 0 | 0 | 4 | 3.8 | CN1CCN(CC1)C1=Nc2ccccc2Oc2c1cc(Cl)cc2 | None | ||
| CHEMBL831 | 2333 | 53 | 3H-SCH23390 | -6 | 45 | Human | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 327 | 0 | 0 | 4 | 3.8 | CN1CCN(CC1)C1=Nc2ccccc2Oc2c1cc(Cl)cc2 | None | ||
| DB00408 | 2333 | 53 | 3H-SCH23390 | -6 | 45 | Human | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 327 | 0 | 0 | 4 | 3.8 | CN1CCN(CC1)C1=Nc2ccccc2Oc2c1cc(Cl)cc2 | None | ||
| 5281878 | 1647 | 35 | 3H-SCH23390 | -3 | 17 | Human | 8.1 | pKi | = | 8.1 | Binding | PDSP KiDatabase | 434 | 5 | 1 | 4 | 4.6 | OCCN1CCN(CC1)CC/C=C\1/c2ccccc2Sc2c1cc(cc2)C(F)(F)F | None | ||
| 5281881 | 1647 | 35 | 3H-SCH23390 | -3 | 17 | Human | 8.1 | pKi | = | 8.1 | Binding | PDSP KiDatabase | 434 | 5 | 1 | 4 | 4.6 | OCCN1CCN(CC1)CC/C=C\1/c2ccccc2Sc2c1cc(cc2)C(F)(F)F | None | ||
| 948 | 1647 | 35 | 3H-SCH23390 | -3 | 17 | Human | 8.1 | pKi | = | 8.1 | Binding | PDSP KiDatabase | 434 | 5 | 1 | 4 | 4.6 | OCCN1CCN(CC1)CC/C=C\1/c2ccccc2Sc2c1cc(cc2)C(F)(F)F | None | ||
| 968 | 1647 | 35 | 3H-SCH23390 | -3 | 17 | Human | 8.1 | pKi | = | 8.1 | Binding | PDSP KiDatabase | 434 | 5 | 1 | 4 | 4.6 | OCCN1CCN(CC1)CC/C=C\1/c2ccccc2Sc2c1cc(cc2)C(F)(F)F | None | ||
| CHEMBL42055 | 1647 | 35 | 3H-SCH23390 | -3 | 17 | Human | 8.1 | pKi | = | 8.1 | Binding | PDSP KiDatabase | 434 | 5 | 1 | 4 | 4.6 | OCCN1CCN(CC1)CC/C=C\1/c2ccccc2Sc2c1cc(cc2)C(F)(F)F | None | ||
| CHEMBL54661 | 1647 | 35 | 3H-SCH23390 | -3 | 17 | Human | 8.1 | pKi | = | 8.1 | Binding | PDSP KiDatabase | 434 | 5 | 1 | 4 | 4.6 | OCCN1CCN(CC1)CC/C=C\1/c2ccccc2Sc2c1cc(cc2)C(F)(F)F | None | ||
| DB00875 | 1647 | 35 | 3H-SCH23390 | -3 | 17 | Human | 8.1 | pKi | = | 8.1 | Binding | PDSP KiDatabase | 434 | 5 | 1 | 4 | 4.6 | OCCN1CCN(CC1)CC/C=C\1/c2ccccc2Sc2c1cc(cc2)C(F)(F)F | None | ||
| 11976 | 917 | 59 | None | -8 | 24 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 315 | 3 | 0 | 2 | 5.2 | CN(C)CC/C=C\1/c2ccccc2Sc2c1cc(cc2)Cl | None | ||
| 667467 | 917 | 59 | None | -8 | 24 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 315 | 3 | 0 | 2 | 5.2 | CN(C)CC/C=C\1/c2ccccc2Sc2c1cc(cc2)Cl | None | ||
| CHEMBL908 | 917 | 59 | None | -8 | 24 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 315 | 3 | 0 | 2 | 5.2 | CN(C)CC/C=C\1/c2ccccc2Sc2c1cc(cc2)Cl | None | ||
| DB01239 | 917 | 59 | None | -8 | 24 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 315 | 3 | 0 | 2 | 5.2 | CN(C)CC/C=C\1/c2ccccc2Sc2c1cc(cc2)Cl | None | ||
| 5281878 | 1647 | 35 | None | -3 | 17 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 434 | 5 | 1 | 4 | 4.6 | OCCN1CCN(CC1)CC/C=C\1/c2ccccc2Sc2c1cc(cc2)C(F)(F)F | None | ||
| 5281881 | 1647 | 35 | None | -3 | 17 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 434 | 5 | 1 | 4 | 4.6 | OCCN1CCN(CC1)CC/C=C\1/c2ccccc2Sc2c1cc(cc2)C(F)(F)F | None | ||
| 948 | 1647 | 35 | None | -3 | 17 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 434 | 5 | 1 | 4 | 4.6 | OCCN1CCN(CC1)CC/C=C\1/c2ccccc2Sc2c1cc(cc2)C(F)(F)F | None | ||
| 968 | 1647 | 35 | None | -3 | 17 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 434 | 5 | 1 | 4 | 4.6 | OCCN1CCN(CC1)CC/C=C\1/c2ccccc2Sc2c1cc(cc2)C(F)(F)F | None | ||
| CHEMBL42055 | 1647 | 35 | None | -3 | 17 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 434 | 5 | 1 | 4 | 4.6 | OCCN1CCN(CC1)CC/C=C\1/c2ccccc2Sc2c1cc(cc2)C(F)(F)F | None | ||
| CHEMBL54661 | 1647 | 35 | None | -3 | 17 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 434 | 5 | 1 | 4 | 4.6 | OCCN1CCN(CC1)CC/C=C\1/c2ccccc2Sc2c1cc(cc2)C(F)(F)F | None | ||
| DB00875 | 1647 | 35 | None | -3 | 17 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 434 | 5 | 1 | 4 | 4.6 | OCCN1CCN(CC1)CC/C=C\1/c2ccccc2Sc2c1cc(cc2)C(F)(F)F | None | ||
| 1588 | 2311 | 27 | None | -13 | 44 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 338 | 3 | 2 | 2 | 2.8 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | None | ||
| 28864 | 2311 | 27 | None | -13 | 44 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 338 | 3 | 2 | 2 | 2.8 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | None | ||
| 43 | 2311 | 27 | None | -13 | 44 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 338 | 3 | 2 | 2 | 2.8 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | None | ||
| CHEMBL157138 | 2311 | 27 | None | -13 | 44 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 338 | 3 | 2 | 2 | 2.8 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | None | ||
| DB00589 | 2311 | 27 | None | -13 | 44 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 338 | 3 | 2 | 2 | 2.8 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | None | ||
| 1242 | 3586 | 27 | 3H-SCH23390 | -4 | 18 | Rat | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 255 | 1 | 3 | 3 | 2.4 | Oc1cc2CCNCC(c2cc1O)c1ccccc1 | None | ||
| 935 | 3586 | 27 | 3H-SCH23390 | -4 | 18 | Rat | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 255 | 1 | 3 | 3 | 2.4 | Oc1cc2CCNCC(c2cc1O)c1ccccc1 | None | ||
| CHEMBL286080 | 3586 | 27 | 3H-SCH23390 | -4 | 18 | Rat | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 255 | 1 | 3 | 3 | 2.4 | Oc1cc2CCNCC(c2cc1O)c1ccccc1 | None | ||
| 1153 | 1615 | 58 | 3H-SCH23390 | -22 | 10 | Human | 6.1 | pKi | = | 6.1 | Binding | PDSP KiDatabase | 305 | 1 | 4 | 4 | 2.7 | Oc1ccc(cc1)C1CNCCc2c1cc(O)c(c2Cl)O | None | ||
| 12668023 | 1615 | 58 | 3H-SCH23390 | -22 | 10 | Human | 6.1 | pKi | = | 6.1 | Binding | PDSP KiDatabase | 305 | 1 | 4 | 4 | 2.7 | Oc1ccc(cc1)C1CNCCc2c1cc(O)c(c2Cl)O | None | ||
| 30026874 | 1615 | 58 | 3H-SCH23390 | -22 | 10 | Human | 6.1 | pKi | = | 6.1 | Binding | PDSP KiDatabase | 305 | 1 | 4 | 4 | 2.7 | Oc1ccc(cc1)C1CNCCc2c1cc(O)c(c2Cl)O | None | ||
| 30026875 | 1615 | 58 | 3H-SCH23390 | -22 | 10 | Human | 6.1 | pKi | = | 6.1 | Binding | PDSP KiDatabase | 305 | 1 | 4 | 4 | 2.7 | Oc1ccc(cc1)C1CNCCc2c1cc(O)c(c2Cl)O | None | ||
| 3341 | 1615 | 58 | 3H-SCH23390 | -22 | 10 | Human | 6.1 | pKi | = | 6.1 | Binding | PDSP KiDatabase | 305 | 1 | 4 | 4 | 2.7 | Oc1ccc(cc1)C1CNCCc2c1cc(O)c(c2Cl)O | None | ||
| 6603851 | 1615 | 58 | 3H-SCH23390 | -22 | 10 | Human | 6.1 | pKi | = | 6.1 | Binding | PDSP KiDatabase | 305 | 1 | 4 | 4 | 2.7 | Oc1ccc(cc1)C1CNCCc2c1cc(O)c(c2Cl)O | None | ||
| 933 | 1615 | 58 | 3H-SCH23390 | -22 | 10 | Human | 6.1 | pKi | = | 6.1 | Binding | PDSP KiDatabase | 305 | 1 | 4 | 4 | 2.7 | Oc1ccc(cc1)C1CNCCc2c1cc(O)c(c2Cl)O | None | ||
| 939 | 1615 | 58 | 3H-SCH23390 | -22 | 10 | Human | 6.1 | pKi | = | 6.1 | Binding | PDSP KiDatabase | 305 | 1 | 4 | 4 | 2.7 | Oc1ccc(cc1)C1CNCCc2c1cc(O)c(c2Cl)O | None | ||
| 985 | 1615 | 58 | 3H-SCH23390 | -22 | 10 | Human | 6.1 | pKi | = | 6.1 | Binding | PDSP KiDatabase | 305 | 1 | 4 | 4 | 2.7 | Oc1ccc(cc1)C1CNCCc2c1cc(O)c(c2Cl)O | None | ||
| CHEMBL1160786 | 1615 | 58 | 3H-SCH23390 | -22 | 10 | Human | 6.1 | pKi | = | 6.1 | Binding | PDSP KiDatabase | 305 | 1 | 4 | 4 | 2.7 | Oc1ccc(cc1)C1CNCCc2c1cc(O)c(c2Cl)O | None | ||
| CHEMBL1161520 | 1615 | 58 | 3H-SCH23390 | -22 | 10 | Human | 6.1 | pKi | = | 6.1 | Binding | PDSP KiDatabase | 305 | 1 | 4 | 4 | 2.7 | Oc1ccc(cc1)C1CNCCc2c1cc(O)c(c2Cl)O | None | ||
| CHEMBL588 | 1615 | 58 | 3H-SCH23390 | -22 | 10 | Human | 6.1 | pKi | = | 6.1 | Binding | PDSP KiDatabase | 305 | 1 | 4 | 4 | 2.7 | Oc1ccc(cc1)C1CNCCc2c1cc(O)c(c2Cl)O | None | ||
| DB00800 | 1615 | 58 | 3H-SCH23390 | -22 | 10 | Human | 6.1 | pKi | = | 6.1 | Binding | PDSP KiDatabase | 305 | 1 | 4 | 4 | 2.7 | Oc1ccc(cc1)C1CNCCc2c1cc(O)c(c2Cl)O | None | ||
| 681 | 1453 | 72 | None | -67 | 39 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 153 | 2 | 3 | 3 | 0.6 | NCCc1ccc(c(c1)O)O | None | ||
| 940 | 1453 | 72 | None | -67 | 39 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 153 | 2 | 3 | 3 | 0.6 | NCCc1ccc(c(c1)O)O | None | ||
| 947 | 1453 | 72 | None | -67 | 39 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 153 | 2 | 3 | 3 | 0.6 | NCCc1ccc(c(c1)O)O | None | ||
| CHEMBL59 | 1453 | 72 | None | -67 | 39 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 153 | 2 | 3 | 3 | 0.6 | NCCc1ccc(c(c1)O)O | None | ||
| DB00988 | 1453 | 72 | None | -67 | 39 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 153 | 2 | 3 | 3 | 0.6 | NCCc1ccc(c(c1)O)O | None | ||
| 11976 | 917 | 59 | UNDEFINED | -8 | 24 | Human | 8.1 | pKi | = | 8.1 | Binding | PDSP KiDatabase | 315 | 3 | 0 | 2 | 5.2 | CN(C)CC/C=C\1/c2ccccc2Sc2c1cc(cc2)Cl | None | ||
| 667467 | 917 | 59 | UNDEFINED | -8 | 24 | Human | 8.1 | pKi | = | 8.1 | Binding | PDSP KiDatabase | 315 | 3 | 0 | 2 | 5.2 | CN(C)CC/C=C\1/c2ccccc2Sc2c1cc(cc2)Cl | None | ||
| CHEMBL908 | 917 | 59 | UNDEFINED | -8 | 24 | Human | 8.1 | pKi | = | 8.1 | Binding | PDSP KiDatabase | 315 | 3 | 0 | 2 | 5.2 | CN(C)CC/C=C\1/c2ccccc2Sc2c1cc(cc2)Cl | None | ||
| DB01239 | 917 | 59 | UNDEFINED | -8 | 24 | Human | 8.1 | pKi | = | 8.1 | Binding | PDSP KiDatabase | 315 | 3 | 0 | 2 | 5.2 | CN(C)CC/C=C\1/c2ccccc2Sc2c1cc(cc2)Cl | None | ||
| 135398745 | 2893 | 112 | 3H-SCH23390 | -26 | 66 | Human | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | None | ||
| 47 | 2893 | 112 | 3H-SCH23390 | -26 | 66 | Human | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | None | ||
| CHEMBL715 | 2893 | 112 | 3H-SCH23390 | -26 | 66 | Human | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | None | ||
| DB00334 | 2893 | 112 | 3H-SCH23390 | -26 | 66 | Human | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | None | ||
| None | 216206 | 0 | 3H-SCH23390 | -2 | 4 | Human | 6.0 | pKi | = | 6.0 | Binding | PDSP KiDatabase | 226 | 0 | 2 | 2 | 1.4 | C1CCC(=O)NCCCCCC(=O)NCC1 | None | ||
| 2105 | 3032 | 37 | 3H-SCH23390 | -125 | 33 | Human | 6.0 | pKi | = | 6.0 | Binding | PDSP KiDatabase | 314 | 4 | 1 | 2 | 4.3 | CCCN1C[C@H](CSC)C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3 | None | ||
| 47811 | 3032 | 37 | 3H-SCH23390 | -125 | 33 | Human | 6.0 | pKi | = | 6.0 | Binding | PDSP KiDatabase | 314 | 4 | 1 | 2 | 4.3 | CCCN1C[C@H](CSC)C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3 | None | ||
| 48 | 3032 | 37 | 3H-SCH23390 | -125 | 33 | Human | 6.0 | pKi | = | 6.0 | Binding | PDSP KiDatabase | 314 | 4 | 1 | 2 | 4.3 | CCCN1C[C@H](CSC)C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3 | None | ||
| CHEMBL531 | 3032 | 37 | 3H-SCH23390 | -125 | 33 | Human | 6.0 | pKi | = | 6.0 | Binding | PDSP KiDatabase | 314 | 4 | 1 | 2 | 4.3 | CCCN1C[C@H](CSC)C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3 | None | ||
| DB01186 | 3032 | 37 | 3H-SCH23390 | -125 | 33 | Human | 6.0 | pKi | = | 6.0 | Binding | PDSP KiDatabase | 314 | 4 | 1 | 2 | 4.3 | CCCN1C[C@H](CSC)C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3 | None | ||
| None | 217106 | 0 | UNDEFINED | -281 | 11 | Human | 6.0 | pKi | = | 6.0 | Binding | PDSP KiDatabase | 116 | 4 | 0 | 2 | 1.4 | CCCCN(C)N=O | None | ||
| None | 216207 | 0 | 3H-SCH23390 | -1380 | 3 | Human | 6.0 | pKi | = | 6.0 | Binding | PDSP KiDatabase | 315 | 6 | 1 | 3 | 4.3 | CCCN(CCC1=CC=CS1)C2CCC3=C(C2)C=CC=C3O | None | ||
| 681 | 1453 | 72 | None | -67 | 39 | Human | 6.6 | pKi | = | 6.6 | Binding | Guide to Pharmacology | 153 | 2 | 3 | 3 | 0.6 | NCCc1ccc(c(c1)O)O | 1826762 | ||
| 940 | 1453 | 72 | None | -67 | 39 | Human | 6.6 | pKi | = | 6.6 | Binding | Guide to Pharmacology | 153 | 2 | 3 | 3 | 0.6 | NCCc1ccc(c(c1)O)O | 1826762 | ||
| 947 | 1453 | 72 | None | -67 | 39 | Human | 6.6 | pKi | = | 6.6 | Binding | Guide to Pharmacology | 153 | 2 | 3 | 3 | 0.6 | NCCc1ccc(c(c1)O)O | 1826762 | ||
| CHEMBL59 | 1453 | 72 | None | -67 | 39 | Human | 6.6 | pKi | = | 6.6 | Binding | Guide to Pharmacology | 153 | 2 | 3 | 3 | 0.6 | NCCc1ccc(c(c1)O)O | 1826762 | ||
| DB00988 | 1453 | 72 | None | -67 | 39 | Human | 6.6 | pKi | = | 6.6 | Binding | Guide to Pharmacology | 153 | 2 | 3 | 3 | 0.6 | NCCc1ccc(c(c1)O)O | 1826762 | ||
| 1242 | 3586 | 27 | None | -6 | 18 | Human | 7.0 | pKi | = | 7 | Binding | Guide to Pharmacology | 255 | 1 | 3 | 3 | 2.4 | Oc1cc2CCNCC(c2cc1O)c1ccccc1 | 1826762 | ||
| 935 | 3586 | 27 | None | -6 | 18 | Human | 7.0 | pKi | = | 7 | Binding | Guide to Pharmacology | 255 | 1 | 3 | 3 | 2.4 | Oc1cc2CCNCC(c2cc1O)c1ccccc1 | 1826762 | ||
| CHEMBL286080 | 3586 | 27 | None | -6 | 18 | Human | 7.0 | pKi | = | 7 | Binding | Guide to Pharmacology | 255 | 1 | 3 | 3 | 2.4 | Oc1cc2CCNCC(c2cc1O)c1ccccc1 | 1826762 | ||
| 107930 | 1517 | 26 | None | -1 | 6 | Human | 8.3 | pKi | = | 8.3 | Binding | Guide to Pharmacology | 313 | 0 | 1 | 2 | 4.0 | CN1CCc2c([C@@H]3[C@@H]1CCc1c3cccc1)cc(c(c2)Cl)O | 1826762 | ||
| 3304 | 1517 | 26 | None | -1 | 6 | Human | 8.3 | pKi | = | 8.3 | Binding | Guide to Pharmacology | 313 | 0 | 1 | 2 | 4.0 | CN1CCc2c([C@@H]3[C@@H]1CCc1c3cccc1)cc(c(c2)Cl)O | 1826762 | ||
| CHEMBL298406 | 1517 | 26 | None | -1 | 6 | Human | 8.3 | pKi | = | 8.3 | Binding | Guide to Pharmacology | 313 | 0 | 1 | 2 | 4.0 | CN1CCc2c([C@@H]3[C@@H]1CCc1c3cccc1)cc(c(c2)Cl)O | 1826762 | ||
| DB12273 | 1517 | 26 | None | -1 | 6 | Human | 8.3 | pKi | = | 8.3 | Binding | Guide to Pharmacology | 313 | 0 | 1 | 2 | 4.0 | CN1CCc2c([C@@H]3[C@@H]1CCc1c3cccc1)cc(c(c2)Cl)O | 1826762 | ||
| 5018 | 3523 | 13 | None | -2 | 10 | Human | 8.5 | pKi | = | 8.5 | Binding | Guide to Pharmacology | 287 | 1 | 1 | 2 | 3.7 | CN1CCc2c(C(C1)c1ccccc1)cc(c(c2)Cl)O | 1826762 | ||
| 943 | 3523 | 13 | None | -2 | 10 | Human | 8.5 | pKi | = | 8.5 | Binding | Guide to Pharmacology | 287 | 1 | 1 | 2 | 3.7 | CN1CCc2c(C(C1)c1ccccc1)cc(c(c2)Cl)O | 1826762 | ||
| 946 | 3523 | 13 | None | -2 | 10 | Human | 8.5 | pKi | = | 8.5 | Binding | Guide to Pharmacology | 287 | 1 | 1 | 2 | 3.7 | CN1CCc2c(C(C1)c1ccccc1)cc(c(c2)Cl)O | 1826762 | ||
| CHEMBL13668 | 3523 | 13 | None | -2 | 10 | Human | 8.5 | pKi | = | 8.5 | Binding | Guide to Pharmacology | 287 | 1 | 1 | 2 | 3.7 | CN1CCc2c(C(C1)c1ccccc1)cc(c(c2)Cl)O | 1826762 | ||
| 1243 | 3591 | 34 | None | -3 | 5 | Human | 9.4 | pKi | = | 9.4 | Binding | Guide to Pharmacology | 331 | 1 | 1 | 2 | 3.8 | CN1CCc2c(C(C1)c1ccccc1)cc(c(c2)Br)O | 1826762 | ||
| 944 | 3591 | 34 | None | -3 | 5 | Human | 9.4 | pKi | = | 9.4 | Binding | Guide to Pharmacology | 331 | 1 | 1 | 2 | 3.8 | CN1CCc2c(C(C1)c1ccccc1)cc(c(c2)Br)O | 1826762 | ||
| CHEMBL324017 | 3591 | 34 | None | -3 | 5 | Human | 9.4 | pKi | = | 9.4 | Binding | Guide to Pharmacology | 331 | 1 | 1 | 2 | 3.8 | CN1CCc2c(C(C1)c1ccccc1)cc(c(c2)Br)O | 1826762 | ||
| 11954224 | 215928 | 0 | None | -478 | 60 | Human | 8.2 | pKi | None | 8.2 | Binding | Drug Central | 581 | 4 | 3 | 6 | 2.0 | CC1(C(=O)N2C(C(=O)N3CCCC3C2(O1)O)CC4=CC=CC=C4)NC(=O)C5CN(C6CC7=CNC8=CC=CC(=C78)C6=C5)C | None | ||
| 2601 | 3751 | 33 | None | -15 | 21 | Human | 8.1 | pKi | None | 8.1 | Binding | Drug Central | 340 | 3 | 2 | 2 | 2.9 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)c[nH]3)CC | None | ||
| 443951 | 3751 | 33 | None | -15 | 21 | Human | 8.1 | pKi | None | 8.1 | Binding | Drug Central | 340 | 3 | 2 | 2 | 2.9 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)c[nH]3)CC | None | ||
| 56 | 3751 | 33 | None | -15 | 21 | Human | 8.1 | pKi | None | 8.1 | Binding | Drug Central | 340 | 3 | 2 | 2 | 2.9 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)c[nH]3)CC | None | ||
| CHEMBL73151 | 3751 | 33 | None | -15 | 21 | Human | 8.1 | pKi | None | 8.1 | Binding | Drug Central | 340 | 3 | 2 | 2 | 2.9 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)c[nH]3)CC | None | ||
| DB13399 | 3751 | 33 | None | -15 | 21 | Human | 8.1 | pKi | None | 8.1 | Binding | Drug Central | 340 | 3 | 2 | 2 | 2.9 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)c[nH]3)CC | None | ||
| 46780481 | 107504 | 20 | None | -77 | 54 | Human | 8.1 | pKi | None | 8.1 | Binding | Drug Central | 285 | 0 | 0 | 2 | 4.3 | CN1CC2c3ccccc3Oc3ccc(Cl)cc3C2C1 | None | ||
| 9903970 | 107504 | 20 | None | -77 | 54 | Human | 8.1 | pKi | None | 8.1 | Binding | Drug Central | 285 | 0 | 0 | 2 | 4.3 | CN1CC2c3ccccc3Oc3ccc(Cl)cc3C2C1 | None | ||
| CHEMBL3187365 | 107504 | 20 | None | -77 | 54 | Human | 8.1 | pKi | None | 8.1 | Binding | Drug Central | 285 | 0 | 0 | 2 | 4.3 | CN1CC2c3ccccc3Oc3ccc(Cl)cc3C2C1 | None | ||
| CHEMBL3544974 | 107504 | 20 | None | -77 | 54 | Human | 8.1 | pKi | None | 8.1 | Binding | Drug Central | 285 | 0 | 0 | 2 | 4.3 | CN1CC2c3ccccc3Oc3ccc(Cl)cc3C2C1 | None | ||
| 484 | 2837 | 51 | None | -112 | 36 | Human | 4.9 | pKi | None | 4.9 | Binding | Guide to Pharmacology | 169 | 2 | 4 | 4 | 0.1 | NCC(c1ccc(c(c1)O)O)O | 1826762 | ||
| 951 | 2837 | 51 | None | -112 | 36 | Human | 4.9 | pKi | None | 4.9 | Binding | Guide to Pharmacology | 169 | 2 | 4 | 4 | 0.1 | NCC(c1ccc(c(c1)O)O)O | 1826762 | ||
| CHEMBL432 | 2837 | 51 | None | -112 | 36 | Human | 4.9 | pKi | None | 4.9 | Binding | Guide to Pharmacology | 169 | 2 | 4 | 4 | 0.1 | NCC(c1ccc(c(c1)O)O)O | 1826762 | ||
| 2470 | 3626 | 50 | None | -14791 | 60 | Human | 5.3 | pKi | None | 5.3 | Binding | Guide to Pharmacology | 395 | 6 | 1 | 4 | 3.2 | Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | 1826762 | ||
| 3300 | 3626 | 50 | None | -14791 | 60 | Human | 5.3 | pKi | None | 5.3 | Binding | Guide to Pharmacology | 395 | 6 | 1 | 4 | 3.2 | Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | 1826762 | ||
| 5265 | 3626 | 50 | None | -14791 | 60 | Human | 5.3 | pKi | None | 5.3 | Binding | Guide to Pharmacology | 395 | 6 | 1 | 4 | 3.2 | Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | 1826762 | ||
| 99 | 3626 | 50 | None | -14791 | 60 | Human | 5.3 | pKi | None | 5.3 | Binding | Guide to Pharmacology | 395 | 6 | 1 | 4 | 3.2 | Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | 1826762 | ||
| CHEMBL267930 | 3626 | 50 | None | -14791 | 60 | Human | 5.3 | pKi | None | 5.3 | Binding | Guide to Pharmacology | 395 | 6 | 1 | 4 | 3.2 | Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | 1826762 | ||
| 5 | 139 | 72 | None | -7244 | 55 | Human | 5.5 | pKi | None | 5.5 | Binding | Guide to Pharmacology | 176 | 2 | 3 | 2 | 1.4 | NCCc1c[nH]c2c1cc(O)cc2 | 1826762 | ||
| 5202 | 139 | 72 | None | -7244 | 55 | Human | 5.5 | pKi | None | 5.5 | Binding | Guide to Pharmacology | 176 | 2 | 3 | 2 | 1.4 | NCCc1c[nH]c2c1cc(O)cc2 | 1826762 | ||
| CHEMBL39 | 139 | 72 | None | -7244 | 55 | Human | 5.5 | pKi | None | 5.5 | Binding | Guide to Pharmacology | 176 | 2 | 3 | 2 | 1.4 | NCCc1c[nH]c2c1cc(O)cc2 | 1826762 | ||
| DB08839 | 139 | 72 | None | -7244 | 55 | Human | 5.5 | pKi | None | 5.5 | Binding | Guide to Pharmacology | 176 | 2 | 3 | 2 | 1.4 | NCCc1c[nH]c2c1cc(O)cc2 | 1826762 | ||
| 1524 | 2168 | 96 | None | -251 | 52 | Human | 5.6 | pKi | None | 5.6 | Binding | Guide to Pharmacology | 395 | 5 | 1 | 5 | 2.4 | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)cccc2 | 1826762 | ||
| 197 | 2168 | 96 | None | -251 | 52 | Human | 5.6 | pKi | None | 5.6 | Binding | Guide to Pharmacology | 395 | 5 | 1 | 5 | 2.4 | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)cccc2 | 1826762 | ||
| 3822 | 2168 | 96 | None | -251 | 52 | Human | 5.6 | pKi | None | 5.6 | Binding | Guide to Pharmacology | 395 | 5 | 1 | 5 | 2.4 | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)cccc2 | 1826762 | ||
| 88 | 2168 | 96 | None | -251 | 52 | Human | 5.6 | pKi | None | 5.6 | Binding | Guide to Pharmacology | 395 | 5 | 1 | 5 | 2.4 | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)cccc2 | 1826762 | ||
| CHEMBL51 | 2168 | 96 | None | -251 | 52 | Human | 5.6 | pKi | None | 5.6 | Binding | Guide to Pharmacology | 395 | 5 | 1 | 5 | 2.4 | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)cccc2 | 1826762 | ||
| DB12465 | 2168 | 96 | None | -251 | 52 | Human | 5.6 | pKi | None | 5.6 | Binding | Guide to Pharmacology | 395 | 5 | 1 | 5 | 2.4 | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)cccc2 | 1826762 | ||
| 100 | 3776 | 58 | None | -85 | 56 | Human | 5.6 | pKi | None | 5.6 | Binding | Guide to Pharmacology | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | 1826762 | ||
| 2637 | 3776 | 58 | None | -85 | 56 | Human | 5.6 | pKi | None | 5.6 | Binding | Guide to Pharmacology | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | 1826762 | ||
| 5452 | 3776 | 58 | None | -85 | 56 | Human | 5.6 | pKi | None | 5.6 | Binding | Guide to Pharmacology | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | 1826762 | ||
| CHEMBL479 | 3776 | 58 | None | -85 | 56 | Human | 5.6 | pKi | None | 5.6 | Binding | Guide to Pharmacology | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | 1826762 | ||
| DB00679 | 3776 | 58 | None | -85 | 56 | Human | 5.6 | pKi | None | 5.6 | Binding | Guide to Pharmacology | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | 1826762 | ||
| 30137 | 2857 | 0 | None | -3019 | 10 | Human | 5.9 | pKi | None | 5.9 | Binding | Guide to Pharmacology | 295 | 2 | 2 | 3 | 3.6 | CCCN1CCc2c3C1Cc1ccc(c(c1c3ccc2)O)O | 1826762 | ||
| 8594 | 2857 | 0 | None | -3019 | 10 | Human | 5.9 | pKi | None | 5.9 | Binding | Guide to Pharmacology | 295 | 2 | 2 | 3 | 3.6 | CCCN1CCc2c3C1Cc1ccc(c(c1c3ccc2)O)O | 1826762 | ||
| 934 | 2857 | 0 | None | -3019 | 10 | Human | 5.9 | pKi | None | 5.9 | Binding | Guide to Pharmacology | 295 | 2 | 2 | 3 | 3.6 | CCCN1CCc2c3C1Cc1ccc(c(c1c3ccc2)O)O | 1826762 | ||
| 3153 | 296 | 28 | None | -588 | 8 | Human | 6.0 | pKi | None | 6 | Binding | Guide to Pharmacology | 179 | 0 | 3 | 3 | 0.9 | NC1CCc2c(C1)cc(c(c2)O)O | 1826762 | ||
| 932 | 296 | 28 | None | -588 | 8 | Human | 6.0 | pKi | None | 6 | Binding | Guide to Pharmacology | 179 | 0 | 3 | 3 | 0.9 | NC1CCc2c(C1)cc(c(c2)O)O | 1826762 | ||
| CHEMBL26736 | 296 | 28 | None | -588 | 8 | Human | 6.0 | pKi | None | 6 | Binding | Guide to Pharmacology | 179 | 0 | 3 | 3 | 0.9 | NC1CCc2c(C1)cc(c(c2)O)O | 1826762 | ||
| 2407 | 3347 | 76 | None | -83 | 7 | Human | 6.0 | pKi | None | 6 | Binding | Guide to Pharmacology | 315 | 6 | 1 | 3 | 4.3 | CCCN([C@H]1CCc2c(C1)cccc2O)CCc1cccs1 | 1826762 | ||
| 59227 | 3347 | 76 | None | -83 | 7 | Human | 6.0 | pKi | None | 6 | Binding | Guide to Pharmacology | 315 | 6 | 1 | 3 | 4.3 | CCCN([C@H]1CCc2c(C1)cccc2O)CCc1cccs1 | 1826762 | ||
| 941 | 3347 | 76 | None | -83 | 7 | Human | 6.0 | pKi | None | 6 | Binding | Guide to Pharmacology | 315 | 6 | 1 | 3 | 4.3 | CCCN([C@H]1CCc2c(C1)cccc2O)CCc1cccs1 | 1826762 | ||
| CHEMBL1303 | 3347 | 76 | None | -83 | 7 | Human | 6.0 | pKi | None | 6 | Binding | Guide to Pharmacology | 315 | 6 | 1 | 3 | 4.3 | CCCN([C@H]1CCc2c(C1)cccc2O)CCc1cccs1 | 1826762 | ||
| DB05271 | 3347 | 76 | None | -83 | 7 | Human | 6.0 | pKi | None | 6 | Binding | Guide to Pharmacology | 315 | 6 | 1 | 3 | 4.3 | CCCN([C@H]1CCc2c(C1)cccc2O)CCc1cccs1 | 1826762 | ||
| 1153 | 1615 | 58 | None | -22 | 10 | Human | 6.1 | pKi | None | 6.1 | Binding | Guide to Pharmacology | 305 | 1 | 4 | 4 | 2.7 | Oc1ccc(cc1)C1CNCCc2c1cc(O)c(c2Cl)O | 1826762 | ||
| 12668023 | 1615 | 58 | None | -22 | 10 | Human | 6.1 | pKi | None | 6.1 | Binding | Guide to Pharmacology | 305 | 1 | 4 | 4 | 2.7 | Oc1ccc(cc1)C1CNCCc2c1cc(O)c(c2Cl)O | 1826762 | ||
| 30026874 | 1615 | 58 | None | -22 | 10 | Human | 6.1 | pKi | None | 6.1 | Binding | Guide to Pharmacology | 305 | 1 | 4 | 4 | 2.7 | Oc1ccc(cc1)C1CNCCc2c1cc(O)c(c2Cl)O | 1826762 | ||
| 30026875 | 1615 | 58 | None | -22 | 10 | Human | 6.1 | pKi | None | 6.1 | Binding | Guide to Pharmacology | 305 | 1 | 4 | 4 | 2.7 | Oc1ccc(cc1)C1CNCCc2c1cc(O)c(c2Cl)O | 1826762 | ||
| 3341 | 1615 | 58 | None | -22 | 10 | Human | 6.1 | pKi | None | 6.1 | Binding | Guide to Pharmacology | 305 | 1 | 4 | 4 | 2.7 | Oc1ccc(cc1)C1CNCCc2c1cc(O)c(c2Cl)O | 1826762 | ||
| 6603851 | 1615 | 58 | None | -22 | 10 | Human | 6.1 | pKi | None | 6.1 | Binding | Guide to Pharmacology | 305 | 1 | 4 | 4 | 2.7 | Oc1ccc(cc1)C1CNCCc2c1cc(O)c(c2Cl)O | 1826762 | ||
| 933 | 1615 | 58 | None | -22 | 10 | Human | 6.1 | pKi | None | 6.1 | Binding | Guide to Pharmacology | 305 | 1 | 4 | 4 | 2.7 | Oc1ccc(cc1)C1CNCCc2c1cc(O)c(c2Cl)O | 1826762 | ||
| 939 | 1615 | 58 | None | -22 | 10 | Human | 6.1 | pKi | None | 6.1 | Binding | Guide to Pharmacology | 305 | 1 | 4 | 4 | 2.7 | Oc1ccc(cc1)C1CNCCc2c1cc(O)c(c2Cl)O | 1826762 | ||
| 985 | 1615 | 58 | None | -22 | 10 | Human | 6.1 | pKi | None | 6.1 | Binding | Guide to Pharmacology | 305 | 1 | 4 | 4 | 2.7 | Oc1ccc(cc1)C1CNCCc2c1cc(O)c(c2Cl)O | 1826762 | ||
| CHEMBL1160786 | 1615 | 58 | None | -22 | 10 | Human | 6.1 | pKi | None | 6.1 | Binding | Guide to Pharmacology | 305 | 1 | 4 | 4 | 2.7 | Oc1ccc(cc1)C1CNCCc2c1cc(O)c(c2Cl)O | 1826762 | ||
| CHEMBL1161520 | 1615 | 58 | None | -22 | 10 | Human | 6.1 | pKi | None | 6.1 | Binding | Guide to Pharmacology | 305 | 1 | 4 | 4 | 2.7 | Oc1ccc(cc1)C1CNCCc2c1cc(O)c(c2Cl)O | 1826762 | ||
| CHEMBL588 | 1615 | 58 | None | -22 | 10 | Human | 6.1 | pKi | None | 6.1 | Binding | Guide to Pharmacology | 305 | 1 | 4 | 4 | 2.7 | Oc1ccc(cc1)C1CNCCc2c1cc(O)c(c2Cl)O | 1826762 | ||
| DB00800 | 1615 | 58 | None | -22 | 10 | Human | 6.1 | pKi | None | 6.1 | Binding | Guide to Pharmacology | 305 | 1 | 4 | 4 | 2.7 | Oc1ccc(cc1)C1CNCCc2c1cc(O)c(c2Cl)O | 1826762 | ||
| 31101 | 726 | 40 | None | -239 | 36 | Human | 6.3 | pKi | None | 6.3 | Binding | Guide to Pharmacology | 653 | 5 | 3 | 6 | 3.2 | CC(C[C@H]1C(=O)N2CCC[C@H]2[C@]2(N1C(=O)[C@@](O2)(NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c([nH]3)Br)C(C)C)O)C | 12388666 | ||
| 31101 | 726 | 40 | None | -239 | 36 | Human | 6.3 | pKi | None | 6.3 | Binding | Guide to Pharmacology | 653 | 5 | 3 | 6 | 3.2 | CC(C[C@H]1C(=O)N2CCC[C@H]2[C@]2(N1C(=O)[C@@](O2)(NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c([nH]3)Br)C(C)C)O)C | 1826762 | ||
| 35 | 726 | 40 | None | -239 | 36 | Human | 6.3 | pKi | None | 6.3 | Binding | Guide to Pharmacology | 653 | 5 | 3 | 6 | 3.2 | CC(C[C@H]1C(=O)N2CCC[C@H]2[C@]2(N1C(=O)[C@@](O2)(NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c([nH]3)Br)C(C)C)O)C | 12388666 | ||
| 35 | 726 | 40 | None | -239 | 36 | Human | 6.3 | pKi | None | 6.3 | Binding | Guide to Pharmacology | 653 | 5 | 3 | 6 | 3.2 | CC(C[C@H]1C(=O)N2CCC[C@H]2[C@]2(N1C(=O)[C@@](O2)(NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c([nH]3)Br)C(C)C)O)C | 1826762 | ||
| 403 | 726 | 40 | None | -239 | 36 | Human | 6.3 | pKi | None | 6.3 | Binding | Guide to Pharmacology | 653 | 5 | 3 | 6 | 3.2 | CC(C[C@H]1C(=O)N2CCC[C@H]2[C@]2(N1C(=O)[C@@](O2)(NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c([nH]3)Br)C(C)C)O)C | 12388666 | ||
| 403 | 726 | 40 | None | -239 | 36 | Human | 6.3 | pKi | None | 6.3 | Binding | Guide to Pharmacology | 653 | 5 | 3 | 6 | 3.2 | CC(C[C@H]1C(=O)N2CCC[C@H]2[C@]2(N1C(=O)[C@@](O2)(NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c([nH]3)Br)C(C)C)O)C | 1826762 | ||
| CHEMBL493 | 726 | 40 | None | -239 | 36 | Human | 6.3 | pKi | None | 6.3 | Binding | Guide to Pharmacology | 653 | 5 | 3 | 6 | 3.2 | CC(C[C@H]1C(=O)N2CCC[C@H]2[C@]2(N1C(=O)[C@@](O2)(NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c([nH]3)Br)C(C)C)O)C | 12388666 | ||
| CHEMBL493 | 726 | 40 | None | -239 | 36 | Human | 6.3 | pKi | None | 6.3 | Binding | Guide to Pharmacology | 653 | 5 | 3 | 6 | 3.2 | CC(C[C@H]1C(=O)N2CCC[C@H]2[C@]2(N1C(=O)[C@@](O2)(NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c([nH]3)Br)C(C)C)O)C | 1826762 | ||
| DB01200 | 726 | 40 | None | -239 | 36 | Human | 6.3 | pKi | None | 6.3 | Binding | Guide to Pharmacology | 653 | 5 | 3 | 6 | 3.2 | CC(C[C@H]1C(=O)N2CCC[C@H]2[C@]2(N1C(=O)[C@@](O2)(NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c([nH]3)Br)C(C)C)O)C | 12388666 | ||
| DB01200 | 726 | 40 | None | -239 | 36 | Human | 6.3 | pKi | None | 6.3 | Binding | Guide to Pharmacology | 653 | 5 | 3 | 6 | 3.2 | CC(C[C@H]1C(=O)N2CCC[C@H]2[C@]2(N1C(=O)[C@@](O2)(NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c([nH]3)Br)C(C)C)O)C | 1826762 | ||
| 1353 | 1898 | 93 | None | -54 | 86 | Human | 6.3 | pKi | None | 6.3 | Binding | Guide to Pharmacology | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | 1826762 | ||
| 3559 | 1898 | 93 | None | -54 | 86 | Human | 6.3 | pKi | None | 6.3 | Binding | Guide to Pharmacology | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | 1826762 | ||
| 86 | 1898 | 93 | None | -54 | 86 | Human | 6.3 | pKi | None | 6.3 | Binding | Guide to Pharmacology | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | 1826762 | ||
| CHEMBL54 | 1898 | 93 | None | -54 | 86 | Human | 6.3 | pKi | None | 6.3 | Binding | Guide to Pharmacology | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | 1826762 | ||
| DB00502 | 1898 | 93 | None | -54 | 86 | Human | 6.3 | pKi | None | 6.3 | Binding | Guide to Pharmacology | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | 1826762 | ||
| 937 | 3588 | 0 | None | 1 | 2 | Human | 6.3 | pKi | None | 6.3 | Binding | Guide to Pharmacology | None | None | None | None | 1826762 | ||||
| 135398737 | 955 | 93 | None | -89 | 92 | Human | 6.6 | pKi | None | 6.6 | Binding | Guide to Pharmacology | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 1826762 | ||
| 38 | 955 | 93 | None | -89 | 92 | Human | 6.6 | pKi | None | 6.6 | Binding | Guide to Pharmacology | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 1826762 | ||
| 722 | 955 | 93 | None | -89 | 92 | Human | 6.6 | pKi | None | 6.6 | Binding | Guide to Pharmacology | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 1826762 | ||
| CHEMBL42 | 955 | 93 | None | -89 | 92 | Human | 6.6 | pKi | None | 6.6 | Binding | Guide to Pharmacology | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 1826762 | ||
| DB00363 | 955 | 93 | None | -89 | 92 | Human | 6.6 | pKi | None | 6.6 | Binding | Guide to Pharmacology | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 1826762 | ||
| 2105 | 3032 | 37 | None | -125 | 33 | Human | 6.8 | pKi | None | 6.8 | Binding | Guide to Pharmacology | 314 | 4 | 1 | 2 | 4.3 | CCCN1C[C@H](CSC)C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3 | 12388666 | ||
| 2105 | 3032 | 37 | None | -125 | 33 | Human | 6.8 | pKi | None | 6.8 | Binding | Guide to Pharmacology | 314 | 4 | 1 | 2 | 4.3 | CCCN1C[C@H](CSC)C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3 | 1826762 | ||
| 47811 | 3032 | 37 | None | -125 | 33 | Human | 6.8 | pKi | None | 6.8 | Binding | Guide to Pharmacology | 314 | 4 | 1 | 2 | 4.3 | CCCN1C[C@H](CSC)C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3 | 12388666 | ||
| 47811 | 3032 | 37 | None | -125 | 33 | Human | 6.8 | pKi | None | 6.8 | Binding | Guide to Pharmacology | 314 | 4 | 1 | 2 | 4.3 | CCCN1C[C@H](CSC)C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3 | 1826762 | ||
| 48 | 3032 | 37 | None | -125 | 33 | Human | 6.8 | pKi | None | 6.8 | Binding | Guide to Pharmacology | 314 | 4 | 1 | 2 | 4.3 | CCCN1C[C@H](CSC)C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3 | 12388666 | ||
| 48 | 3032 | 37 | None | -125 | 33 | Human | 6.8 | pKi | None | 6.8 | Binding | Guide to Pharmacology | 314 | 4 | 1 | 2 | 4.3 | CCCN1C[C@H](CSC)C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3 | 1826762 | ||
| CHEMBL531 | 3032 | 37 | None | -125 | 33 | Human | 6.8 | pKi | None | 6.8 | Binding | Guide to Pharmacology | 314 | 4 | 1 | 2 | 4.3 | CCCN1C[C@H](CSC)C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3 | 12388666 | ||
| CHEMBL531 | 3032 | 37 | None | -125 | 33 | Human | 6.8 | pKi | None | 6.8 | Binding | Guide to Pharmacology | 314 | 4 | 1 | 2 | 4.3 | CCCN1C[C@H](CSC)C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3 | 1826762 | ||
| DB01186 | 3032 | 37 | None | -125 | 33 | Human | 6.8 | pKi | None | 6.8 | Binding | Guide to Pharmacology | 314 | 4 | 1 | 2 | 4.3 | CCCN1C[C@H](CSC)C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3 | 12388666 | ||
| DB01186 | 3032 | 37 | None | -125 | 33 | Human | 6.8 | pKi | None | 6.8 | Binding | Guide to Pharmacology | 314 | 4 | 1 | 2 | 4.3 | CCCN1C[C@H](CSC)C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3 | 1826762 | ||
| 161309 | 610 | 0 | None | - | 1 | Human | 6.9 | pKi | None | 6.9 | Binding | Guide to Pharmacology | 575 | 5 | 3 | 6 | 2.4 | CC[C@@H]([C@@H]1C(=O)N2CCC[C@H]2[C@]2(N1C(=O)[C@@](O2)(NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)C(C)C)O)C | 1826762 | ||
| 988 | 610 | 0 | None | - | 1 | Human | 6.9 | pKi | None | 6.9 | Binding | Guide to Pharmacology | 575 | 5 | 3 | 6 | 2.4 | CC[C@@H]([C@@H]1C(=O)N2CCC[C@H]2[C@]2(N1C(=O)[C@@](O2)(NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)C(C)C)O)C | 1826762 | ||
| 2726 | 916 | 68 | None | -47 | 73 | Human | 6.9 | pKi | None | 6.9 | Binding | Guide to Pharmacology | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | 1826762 | ||
| 621 | 916 | 68 | None | -47 | 73 | Human | 6.9 | pKi | None | 6.9 | Binding | Guide to Pharmacology | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | 1826762 | ||
| 83 | 916 | 68 | None | -47 | 73 | Human | 6.9 | pKi | None | 6.9 | Binding | Guide to Pharmacology | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | 1826762 | ||
| CHEMBL71 | 916 | 68 | None | -47 | 73 | Human | 6.9 | pKi | None | 6.9 | Binding | Guide to Pharmacology | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | 1826762 | ||
| DB00477 | 916 | 68 | None | -47 | 73 | Human | 6.9 | pKi | None | 6.9 | Binding | Guide to Pharmacology | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | 1826762 | ||
| 228 | 444 | 28 | None | -3 | 24 | Human | 7.1 | pKi | None | 7.1 | Binding | Guide to Pharmacology | 267 | 0 | 2 | 3 | 2.9 | CN1CCc2c3[C@H]1Cc1ccc(c(c1c3ccc2)O)O | 12388666 | ||
| 228 | 444 | 28 | None | -3 | 24 | Human | 7.1 | pKi | None | 7.1 | Binding | Guide to Pharmacology | 267 | 0 | 2 | 3 | 2.9 | CN1CCc2c3[C@H]1Cc1ccc(c(c1c3ccc2)O)O | 1826762 | ||
| 33 | 444 | 28 | None | -3 | 24 | Human | 7.1 | pKi | None | 7.1 | Binding | Guide to Pharmacology | 267 | 0 | 2 | 3 | 2.9 | CN1CCc2c3[C@H]1Cc1ccc(c(c1c3ccc2)O)O | 12388666 | ||
| 33 | 444 | 28 | None | -3 | 24 | Human | 7.1 | pKi | None | 7.1 | Binding | Guide to Pharmacology | 267 | 0 | 2 | 3 | 2.9 | CN1CCc2c3[C@H]1Cc1ccc(c(c1c3ccc2)O)O | 1826762 | ||
| 6005 | 444 | 28 | None | -3 | 24 | Human | 7.1 | pKi | None | 7.1 | Binding | Guide to Pharmacology | 267 | 0 | 2 | 3 | 2.9 | CN1CCc2c3[C@H]1Cc1ccc(c(c1c3ccc2)O)O | 12388666 | ||
| 6005 | 444 | 28 | None | -3 | 24 | Human | 7.1 | pKi | None | 7.1 | Binding | Guide to Pharmacology | 267 | 0 | 2 | 3 | 2.9 | CN1CCc2c3[C@H]1Cc1ccc(c(c1c3ccc2)O)O | 1826762 | ||
| CHEMBL53 | 444 | 28 | None | -3 | 24 | Human | 7.1 | pKi | None | 7.1 | Binding | Guide to Pharmacology | 267 | 0 | 2 | 3 | 2.9 | CN1CCc2c3[C@H]1Cc1ccc(c(c1c3ccc2)O)O | 12388666 | ||
| CHEMBL53 | 444 | 28 | None | -3 | 24 | Human | 7.1 | pKi | None | 7.1 | Binding | Guide to Pharmacology | 267 | 0 | 2 | 3 | 2.9 | CN1CCc2c3[C@H]1Cc1ccc(c(c1c3ccc2)O)O | 1826762 | ||
| DB00714 | 444 | 28 | None | -3 | 24 | Human | 7.1 | pKi | None | 7.1 | Binding | Guide to Pharmacology | 267 | 0 | 2 | 3 | 2.9 | CN1CCc2c3[C@H]1Cc1ccc(c(c1c3ccc2)O)O | 12388666 | ||
| DB00714 | 444 | 28 | None | -3 | 24 | Human | 7.1 | pKi | None | 7.1 | Binding | Guide to Pharmacology | 267 | 0 | 2 | 3 | 2.9 | CN1CCc2c3[C@H]1Cc1ccc(c(c1c3ccc2)O)O | 1826762 | ||
| 37459 | 743 | 13 | None | -61 | 25 | Human | 7.6 | pKi | None | 7.6 | Binding | Guide to Pharmacology | 361 | 0 | 1 | 2 | 4.8 | O[C@]1(CCN2[C@@H](C1)c1cccc3c1[C@@H](C2)c1ccccc1CC3)C(C)(C)C | 1826762 | ||
| 62 | 743 | 13 | None | -61 | 25 | Human | 7.6 | pKi | None | 7.6 | Binding | Guide to Pharmacology | 361 | 0 | 1 | 2 | 4.8 | O[C@]1(CCN2[C@@H](C1)c1cccc3c1[C@@H](C2)c1ccccc1CC3)C(C)(C)C | 1826762 | ||
| CHEMBL8514 | 743 | 13 | None | -61 | 25 | Human | 7.6 | pKi | None | 7.6 | Binding | Guide to Pharmacology | 361 | 0 | 1 | 2 | 4.8 | O[C@]1(CCN2[C@@H](C1)c1cccc3c1[C@@H](C2)c1ccccc1CC3)C(C)(C)C | 1826762 | ||
| 37 | 775 | 60 | None | -5 | 17 | Human | 7.7 | pKi | None | 7.7 | Binding | Guide to Pharmacology | 451 | 8 | 2 | 4 | 3.2 | C=CCN1C[C@@H](C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3)C(=O)N(C(=O)NCC)CCCN(C)C | 12388666 | ||
| 460 | 775 | 60 | None | -5 | 17 | Human | 7.7 | pKi | None | 7.7 | Binding | Guide to Pharmacology | 451 | 8 | 2 | 4 | 3.2 | C=CCN1C[C@@H](C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3)C(=O)N(C(=O)NCC)CCCN(C)C | 12388666 | ||
| 54746 | 775 | 60 | None | -5 | 17 | Human | 7.7 | pKi | None | 7.7 | Binding | Guide to Pharmacology | 451 | 8 | 2 | 4 | 3.2 | C=CCN1C[C@@H](C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3)C(=O)N(C(=O)NCC)CCCN(C)C | 12388666 | ||
| CHEMBL1201087 | 775 | 60 | None | -5 | 17 | Human | 7.7 | pKi | None | 7.7 | Binding | Guide to Pharmacology | 451 | 8 | 2 | 4 | 3.2 | C=CCN1C[C@@H](C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3)C(=O)N(C(=O)NCC)CCCN(C)C | 12388666 | ||
| DB00248 | 775 | 60 | None | -5 | 17 | Human | 7.7 | pKi | None | 7.7 | Binding | Guide to Pharmacology | 451 | 8 | 2 | 4 | 3.2 | C=CCN1C[C@@H](C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3)C(=O)N(C(=O)NCC)CCCN(C)C | 12388666 | ||
| 1153 | 1615 | 58 | None | -22 | 10 | Human | 7.8 | pKi | None | 7.8 | Binding | Guide to Pharmacology | 305 | 1 | 4 | 4 | 2.7 | Oc1ccc(cc1)C1CNCCc2c1cc(O)c(c2Cl)O | 1826762 | ||
| 12668023 | 1615 | 58 | None | -22 | 10 | Human | 7.8 | pKi | None | 7.8 | Binding | Guide to Pharmacology | 305 | 1 | 4 | 4 | 2.7 | Oc1ccc(cc1)C1CNCCc2c1cc(O)c(c2Cl)O | 1826762 | ||
| 30026874 | 1615 | 58 | None | -22 | 10 | Human | 7.8 | pKi | None | 7.8 | Binding | Guide to Pharmacology | 305 | 1 | 4 | 4 | 2.7 | Oc1ccc(cc1)C1CNCCc2c1cc(O)c(c2Cl)O | 1826762 | ||
| 30026875 | 1615 | 58 | None | -22 | 10 | Human | 7.8 | pKi | None | 7.8 | Binding | Guide to Pharmacology | 305 | 1 | 4 | 4 | 2.7 | Oc1ccc(cc1)C1CNCCc2c1cc(O)c(c2Cl)O | 1826762 | ||
| 3341 | 1615 | 58 | None | -22 | 10 | Human | 7.8 | pKi | None | 7.8 | Binding | Guide to Pharmacology | 305 | 1 | 4 | 4 | 2.7 | Oc1ccc(cc1)C1CNCCc2c1cc(O)c(c2Cl)O | 1826762 | ||
| 6603851 | 1615 | 58 | None | -22 | 10 | Human | 7.8 | pKi | None | 7.8 | Binding | Guide to Pharmacology | 305 | 1 | 4 | 4 | 2.7 | Oc1ccc(cc1)C1CNCCc2c1cc(O)c(c2Cl)O | 1826762 | ||
| 933 | 1615 | 58 | None | -22 | 10 | Human | 7.8 | pKi | None | 7.8 | Binding | Guide to Pharmacology | 305 | 1 | 4 | 4 | 2.7 | Oc1ccc(cc1)C1CNCCc2c1cc(O)c(c2Cl)O | 1826762 | ||
| 939 | 1615 | 58 | None | -22 | 10 | Human | 7.8 | pKi | None | 7.8 | Binding | Guide to Pharmacology | 305 | 1 | 4 | 4 | 2.7 | Oc1ccc(cc1)C1CNCCc2c1cc(O)c(c2Cl)O | 1826762 | ||
| 985 | 1615 | 58 | None | -22 | 10 | Human | 7.8 | pKi | None | 7.8 | Binding | Guide to Pharmacology | 305 | 1 | 4 | 4 | 2.7 | Oc1ccc(cc1)C1CNCCc2c1cc(O)c(c2Cl)O | 1826762 | ||
| CHEMBL1160786 | 1615 | 58 | None | -22 | 10 | Human | 7.8 | pKi | None | 7.8 | Binding | Guide to Pharmacology | 305 | 1 | 4 | 4 | 2.7 | Oc1ccc(cc1)C1CNCCc2c1cc(O)c(c2Cl)O | 1826762 | ||
| CHEMBL1161520 | 1615 | 58 | None | -22 | 10 | Human | 7.8 | pKi | None | 7.8 | Binding | Guide to Pharmacology | 305 | 1 | 4 | 4 | 2.7 | Oc1ccc(cc1)C1CNCCc2c1cc(O)c(c2Cl)O | 1826762 | ||
| CHEMBL588 | 1615 | 58 | None | -22 | 10 | Human | 7.8 | pKi | None | 7.8 | Binding | Guide to Pharmacology | 305 | 1 | 4 | 4 | 2.7 | Oc1ccc(cc1)C1CNCCc2c1cc(O)c(c2Cl)O | 1826762 | ||
| DB00800 | 1615 | 58 | None | -22 | 10 | Human | 7.8 | pKi | None | 7.8 | Binding | Guide to Pharmacology | 305 | 1 | 4 | 4 | 2.7 | Oc1ccc(cc1)C1CNCCc2c1cc(O)c(c2Cl)O | 1826762 | ||
| 1212 | 1649 | 50 | None | -28 | 66 | Human | 7.9 | pKi | None | 7.9 | Binding | Guide to Pharmacology | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | 1826762 | ||
| 204 | 1649 | 50 | None | -28 | 66 | Human | 7.9 | pKi | None | 7.9 | Binding | Guide to Pharmacology | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | 1826762 | ||
| 3372 | 1649 | 50 | None | -28 | 66 | Human | 7.9 | pKi | None | 7.9 | Binding | Guide to Pharmacology | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | 1826762 | ||
| CHEMBL726 | 1649 | 50 | None | -28 | 66 | Human | 7.9 | pKi | None | 7.9 | Binding | Guide to Pharmacology | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | 1826762 | ||
| DB00623 | 1649 | 50 | None | -28 | 66 | Human | 7.9 | pKi | None | 7.9 | Binding | Guide to Pharmacology | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | 1826762 | ||
| 5281878 | 1647 | 35 | None | -3 | 17 | Human | 8.1 | pKi | None | 8.1 | Binding | Guide to Pharmacology | 434 | 5 | 1 | 4 | 4.6 | OCCN1CCN(CC1)CC/C=C\1/c2ccccc2Sc2c1cc(cc2)C(F)(F)F | 1826762 | ||
| 5281881 | 1647 | 35 | None | -3 | 17 | Human | 8.1 | pKi | None | 8.1 | Binding | Guide to Pharmacology | 434 | 5 | 1 | 4 | 4.6 | OCCN1CCN(CC1)CC/C=C\1/c2ccccc2Sc2c1cc(cc2)C(F)(F)F | 1826762 | ||
| 948 | 1647 | 35 | None | -3 | 17 | Human | 8.1 | pKi | None | 8.1 | Binding | Guide to Pharmacology | 434 | 5 | 1 | 4 | 4.6 | OCCN1CCN(CC1)CC/C=C\1/c2ccccc2Sc2c1cc(cc2)C(F)(F)F | 1826762 | ||
| 968 | 1647 | 35 | None | -3 | 17 | Human | 8.1 | pKi | None | 8.1 | Binding | Guide to Pharmacology | 434 | 5 | 1 | 4 | 4.6 | OCCN1CCN(CC1)CC/C=C\1/c2ccccc2Sc2c1cc(cc2)C(F)(F)F | 1826762 | ||
| CHEMBL42055 | 1647 | 35 | None | -3 | 17 | Human | 8.1 | pKi | None | 8.1 | Binding | Guide to Pharmacology | 434 | 5 | 1 | 4 | 4.6 | OCCN1CCN(CC1)CC/C=C\1/c2ccccc2Sc2c1cc(cc2)C(F)(F)F | 1826762 | ||
| CHEMBL54661 | 1647 | 35 | None | -3 | 17 | Human | 8.1 | pKi | None | 8.1 | Binding | Guide to Pharmacology | 434 | 5 | 1 | 4 | 4.6 | OCCN1CCN(CC1)CC/C=C\1/c2ccccc2Sc2c1cc(cc2)C(F)(F)F | 1826762 | ||
| DB00875 | 1647 | 35 | None | -3 | 17 | Human | 8.1 | pKi | None | 8.1 | Binding | Guide to Pharmacology | 434 | 5 | 1 | 4 | 4.6 | OCCN1CCN(CC1)CC/C=C\1/c2ccccc2Sc2c1cc(cc2)C(F)(F)F | 1826762 | ||
| 1588 | 2311 | 27 | None | -13 | 44 | Human | 8.5 | pKi | None | 8.5 | Binding | Guide to Pharmacology | 338 | 3 | 2 | 2 | 2.8 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | 12388666 | ||
| 28864 | 2311 | 27 | None | -13 | 44 | Human | 8.5 | pKi | None | 8.5 | Binding | Guide to Pharmacology | 338 | 3 | 2 | 2 | 2.8 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | 12388666 | ||
| 43 | 2311 | 27 | None | -13 | 44 | Human | 8.5 | pKi | None | 8.5 | Binding | Guide to Pharmacology | 338 | 3 | 2 | 2 | 2.8 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | 12388666 | ||
| CHEMBL157138 | 2311 | 27 | None | -13 | 44 | Human | 8.5 | pKi | None | 8.5 | Binding | Guide to Pharmacology | 338 | 3 | 2 | 2 | 2.8 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | 12388666 | ||
| DB00589 | 2311 | 27 | None | -13 | 44 | Human | 8.5 | pKi | None | 8.5 | Binding | Guide to Pharmacology | 338 | 3 | 2 | 2 | 2.8 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | 12388666 | ||