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 |
25174150 | 9029 | 0 | None | 64 | 2 | Human | 10.2 | pIC50 | = | 10.2 | Functional | ChEMBL | 582 | 18 | 2 | 6 | 7.3 | O=C(O)CCCOc1cccc(CCCCCCOc2cc(-c3ccncc3)cc(-c3ccncc3)c2)c1CCC(=O)O | 10.1021/jm1001919 | ||
CHEMBL1099326 | 9029 | 0 | None | 64 | 2 | Human | 10.2 | pIC50 | = | 10.2 | Functional | ChEMBL | 582 | 18 | 2 | 6 | 7.3 | O=C(O)CCCOc1cccc(CCCCCCOc2cc(-c3ccncc3)cc(-c3ccncc3)c2)c1CCC(=O)O | 10.1021/jm1001919 | ||
25191879 | 9038 | 0 | None | - | 1 | Human | 9.7 | pIC50 | = | 9.7 | Functional | ChEMBL | 599 | 18 | 2 | 5 | 8.0 | O=C(O)CCCOc1cccc(CCCCCCOc2cc(-c3ccncc3)cc(-c3cccc(F)c3)c2)c1CCC(=O)O | 10.1021/jm1001919 | ||
CHEMBL1099335 | 9038 | 0 | None | - | 1 | Human | 9.7 | pIC50 | = | 9.7 | Functional | ChEMBL | 599 | 18 | 2 | 5 | 8.0 | O=C(O)CCCOc1cccc(CCCCCCOc2cc(-c3ccncc3)cc(-c3cccc(F)c3)c2)c1CCC(=O)O | 10.1021/jm1001919 | ||
25191880 | 9035 | 0 | None | - | 1 | Human | 9.7 | pIC50 | = | 9.7 | Functional | ChEMBL | 587 | 18 | 2 | 6 | 7.9 | O=C(O)CCCOc1cccc(CCCCCCOc2cc(-c3ccncc3)cc(-c3ccsc3)c2)c1CCC(=O)O | 10.1021/jm1001919 | ||
CHEMBL1099332 | 9035 | 0 | None | - | 1 | Human | 9.7 | pIC50 | = | 9.7 | Functional | ChEMBL | 587 | 18 | 2 | 6 | 7.9 | O=C(O)CCCOc1cccc(CCCCCCOc2cc(-c3ccncc3)cc(-c3ccsc3)c2)c1CCC(=O)O | 10.1021/jm1001919 | ||
25192021 | 9026 | 0 | None | 223 | 2 | Human | 9.7 | pIC50 | = | 9.7 | Functional | ChEMBL | 580 | 18 | 2 | 4 | 8.5 | O=C(O)CCCOc1cccc(CCCCCCOc2cc(-c3ccccc3)cc(-c3ccccc3)c2)c1CCC(=O)O | 10.1021/jm1001919 | ||
CHEMBL1099323 | 9026 | 0 | None | 223 | 2 | Human | 9.7 | pIC50 | = | 9.7 | Functional | ChEMBL | 580 | 18 | 2 | 4 | 8.5 | O=C(O)CCCOc1cccc(CCCCCCOc2cc(-c3ccccc3)cc(-c3ccccc3)c2)c1CCC(=O)O | 10.1021/jm1001919 | ||
25192023 | 8446 | 0 | None | - | 1 | Human | 9.7 | pIC50 | = | 9.7 | Functional | ChEMBL | 625 | 18 | 2 | 7 | 7.6 | O=C(O)CCCOc1cccc(CCCCCCOc2cc(-c3ccncc3)cc(-c3ccc4c(c3)OCO4)c2)c1CCC(=O)O | 10.1021/jm1001919 | ||
CHEMBL1094346 | 8446 | 0 | None | - | 1 | Human | 9.7 | pIC50 | = | 9.7 | Functional | ChEMBL | 625 | 18 | 2 | 7 | 7.6 | O=C(O)CCCOc1cccc(CCCCCCOc2cc(-c3ccncc3)cc(-c3ccc4c(c3)OCO4)c2)c1CCC(=O)O | 10.1021/jm1001919 | ||
25192174 | 9034 | 0 | None | - | 1 | Human | 9.4 | pIC50 | = | 9.4 | Functional | ChEMBL | 586 | 18 | 2 | 5 | 8.5 | O=C(O)CCCOc1cccc(CCCCCCOc2cc(-c3ccccc3)cc(-c3ccsc3)c2)c1CCC(=O)O | 10.1021/jm1001919 | ||
CHEMBL1099331 | 9034 | 0 | None | - | 1 | Human | 9.4 | pIC50 | = | 9.4 | Functional | ChEMBL | 586 | 18 | 2 | 5 | 8.5 | O=C(O)CCCOc1cccc(CCCCCCOc2cc(-c3ccccc3)cc(-c3ccsc3)c2)c1CCC(=O)O | 10.1021/jm1001919 | ||
132379 | 111240 | 13 | None | - | 1 | Human | 9.4 | pIC50 | = | 9.4 | Functional | ChEMBL | 453 | 9 | 1 | 3 | 5.4 | CN(CCc1ccccc1)C(=O)Cc1cc(C(=O)O)cc2c(OCc3ccccc3)cccc12 | 10.1021/jm00100a034 | ||
CHEMBL328712 | 111240 | 13 | None | - | 1 | Human | 9.4 | pIC50 | = | 9.4 | Functional | ChEMBL | 453 | 9 | 1 | 3 | 5.4 | CN(CCc1ccccc1)C(=O)Cc1cc(C(=O)O)cc2c(OCc3ccccc3)cccc12 | 10.1021/jm00100a034 | ||
25192176 | 8447 | 0 | None | - | 1 | Human | 9.4 | pIC50 | = | 9.4 | Functional | ChEMBL | 626 | 18 | 2 | 8 | 7.0 | O=C(O)CCCOc1cccc(CCCCCCOc2cc(-c3cncnc3)cc(-c3ccc4c(c3)OCO4)c2)c1CCC(=O)O | 10.1021/jm1001919 | ||
CHEMBL1094347 | 8447 | 0 | None | - | 1 | Human | 9.4 | pIC50 | = | 9.4 | Functional | ChEMBL | 626 | 18 | 2 | 8 | 7.0 | O=C(O)CCCOc1cccc(CCCCCCOc2cc(-c3cncnc3)cc(-c3ccc4c(c3)OCO4)c2)c1CCC(=O)O | 10.1021/jm1001919 | ||
25192175 | 9037 | 0 | None | - | 1 | Human | 9.4 | pIC50 | = | 9.4 | Functional | ChEMBL | 588 | 18 | 2 | 7 | 7.3 | O=C(O)CCCOc1cccc(CCCCCCOc2cc(-c3cncnc3)cc(-c3ccsc3)c2)c1CCC(=O)O | 10.1021/jm1001919 | ||
CHEMBL1099334 | 9037 | 0 | None | - | 1 | Human | 9.4 | pIC50 | = | 9.4 | Functional | ChEMBL | 588 | 18 | 2 | 7 | 7.3 | O=C(O)CCCOc1cccc(CCCCCCOc2cc(-c3cncnc3)cc(-c3ccsc3)c2)c1CCC(=O)O | 10.1021/jm1001919 | ||
25192022 | 3303 | 4 | None | 21 | 2 | Human | 9.4 | pIC50 | = | 9.4 | Functional | ChEMBL | 630 | 18 | 2 | 7 | 8.3 | OC(=O)CCc1c(CCCCCCOc2cc(cc(c2)c2ccc3c(c2)OCO3)c2ccsc2)cccc1OCCCC(=O)O | 10.1021/jm1001919 | ||
6158 | 3303 | 4 | None | 21 | 2 | Human | 9.4 | pIC50 | = | 9.4 | Functional | ChEMBL | 630 | 18 | 2 | 7 | 8.3 | OC(=O)CCc1c(CCCCCCOc2cc(cc(c2)c2ccc3c(c2)OCO3)c2ccsc2)cccc1OCCCC(=O)O | 10.1021/jm1001919 | ||
CHEMBL1098560 | 3303 | 4 | None | 21 | 2 | Human | 9.4 | pIC50 | = | 9.4 | Functional | ChEMBL | 630 | 18 | 2 | 7 | 8.3 | OC(=O)CCc1c(CCCCCCOc2cc(cc(c2)c2ccc3c(c2)OCO3)c2ccsc2)cccc1OCCCC(=O)O | 10.1021/jm1001919 | ||
23501721 | 9033 | 0 | None | 316 | 2 | Human | 9.3 | pIC50 | = | 9.3 | Functional | ChEMBL | 581 | 18 | 2 | 5 | 7.9 | O=C(O)CCCOc1cccc(CCCCCCOc2cc(-c3ccccc3)cc(-c3ccccc3)n2)c1CCC(=O)O | 10.1021/jm1001919 | ||
CHEMBL1099330 | 9033 | 0 | None | 316 | 2 | Human | 9.3 | pIC50 | = | 9.3 | Functional | ChEMBL | 581 | 18 | 2 | 5 | 7.9 | O=C(O)CCCOc1cccc(CCCCCCOc2cc(-c3ccccc3)cc(-c3ccccc3)n2)c1CCC(=O)O | 10.1021/jm1001919 | ||
25192325 | 9036 | 0 | None | - | 1 | Human | 9.2 | pIC50 | = | 9.2 | Functional | ChEMBL | 621 | 18 | 2 | 6 | 8.6 | O=C(O)CCCOc1cccc(CCCCCCOc2cc(-c3ccsc3)cc(-c3ccnc(Cl)c3)c2)c1CCC(=O)O | 10.1021/jm1001919 | ||
CHEMBL1099333 | 9036 | 0 | None | - | 1 | Human | 9.2 | pIC50 | = | 9.2 | Functional | ChEMBL | 621 | 18 | 2 | 6 | 8.6 | O=C(O)CCCOc1cccc(CCCCCCOc2cc(-c3ccsc3)cc(-c3ccnc(Cl)c3)c2)c1CCC(=O)O | 10.1021/jm1001919 | ||
25192326 | 8942 | 0 | None | - | 1 | Human | 9.2 | pIC50 | = | 9.2 | Functional | ChEMBL | 592 | 18 | 2 | 6 | 8.6 | O=C(O)CCCOc1cccc(CCCCCCOc2cc(-c3ccsc3)cc(-c3ccsc3)c2)c1CCC(=O)O | 10.1021/jm1001919 | ||
CHEMBL1098550 | 8942 | 0 | None | - | 1 | Human | 9.2 | pIC50 | = | 9.2 | Functional | ChEMBL | 592 | 18 | 2 | 6 | 8.6 | O=C(O)CCCOc1cccc(CCCCCCOc2cc(-c3ccsc3)cc(-c3ccsc3)c2)c1CCC(=O)O | 10.1021/jm1001919 | ||
25192327 | 9040 | 0 | None | - | 1 | Human | 9.2 | pIC50 | = | 9.2 | Functional | ChEMBL | 624 | 18 | 2 | 6 | 8.2 | O=C(O)CCCOc1cccc(CCCCCCOc2cc(-c3ccccc3)cc(-c3ccc4c(c3)OCO4)c2)c1CCC(=O)O | 10.1021/jm1001919 | ||
CHEMBL1099337 | 9040 | 0 | None | - | 1 | Human | 9.2 | pIC50 | = | 9.2 | Functional | ChEMBL | 624 | 18 | 2 | 6 | 8.2 | O=C(O)CCCOc1cccc(CCCCCCOc2cc(-c3ccccc3)cc(-c3ccc4c(c3)OCO4)c2)c1CCC(=O)O | 10.1021/jm1001919 | ||
25192468 | 8449 | 0 | None | - | 1 | Human | 9.2 | pIC50 | = | 9.2 | Functional | ChEMBL | 642 | 18 | 2 | 6 | 8.3 | O=C(O)CCCOc1cccc(CCCCCCOc2cc(-c3ccc4c(c3)OCO4)cc(-c3ccccc3F)c2)c1CCC(=O)O | 10.1021/jm1001919 | ||
CHEMBL1094349 | 8449 | 0 | None | - | 1 | Human | 9.2 | pIC50 | = | 9.2 | Functional | ChEMBL | 642 | 18 | 2 | 6 | 8.3 | O=C(O)CCCOc1cccc(CCCCCCOc2cc(-c3ccc4c(c3)OCO4)cc(-c3ccccc3F)c2)c1CCC(=O)O | 10.1021/jm1001919 | ||
132379 | 111240 | 13 | None | - | 1 | Human | 9.1 | pIC50 | = | 9.1 | Functional | ChEMBL | 453 | 9 | 1 | 3 | 5.4 | CN(CCc1ccccc1)C(=O)Cc1cc(C(=O)O)cc2c(OCc3ccccc3)cccc12 | 10.1021/jm00100a034 | ||
CHEMBL328712 | 111240 | 13 | None | - | 1 | Human | 9.1 | pIC50 | = | 9.1 | Functional | ChEMBL | 453 | 9 | 1 | 3 | 5.4 | CN(CCc1ccccc1)C(=O)Cc1cc(C(=O)O)cc2c(OCc3ccccc3)cccc12 | 10.1021/jm00100a034 | ||
25192471 | 8448 | 0 | None | 15 | 2 | Human | 8.9 | pIC50 | = | 8.9 | Functional | ChEMBL | 642 | 18 | 2 | 6 | 8.3 | O=C(O)CCCOc1cccc(CCCCCCOc2cc(-c3cccc(F)c3)cc(-c3ccc4c(c3)OCO4)c2)c1CCC(=O)O | 10.1021/jm1001919 | ||
CHEMBL1094348 | 8448 | 0 | None | 15 | 2 | Human | 8.9 | pIC50 | = | 8.9 | Functional | ChEMBL | 642 | 18 | 2 | 6 | 8.3 | O=C(O)CCCOc1cccc(CCCCCCOc2cc(-c3cccc(F)c3)cc(-c3ccc4c(c3)OCO4)c2)c1CCC(=O)O | 10.1021/jm1001919 | ||
10319829 | 25913 | 0 | None | - | 1 | Human | 7.0 | pIC50 | = | 7 | Functional | ChEMBL | 417 | 11 | 1 | 3 | 6.9 | CC(C)(CCCCCCOc1cc(-c2ccccc2)cc(-c2ccccc2)n1)C(=O)O | 10.1021/jm00101a008 | ||
CHEMBL135612 | 25913 | 0 | None | - | 1 | Human | 7.0 | pIC50 | = | 7 | Functional | ChEMBL | 417 | 11 | 1 | 3 | 6.9 | CC(C)(CCCCCCOc1cc(-c2ccccc2)cc(-c2ccccc2)n1)C(=O)O | 10.1021/jm00101a008 | ||
10341135 | 29175 | 0 | None | - | 1 | Human | 7.0 | pIC50 | = | 7 | Functional | ChEMBL | 403 | 10 | 1 | 3 | 6.5 | CC(C)(CCCCCOc1cc(-c2ccccc2)cc(-c2ccccc2)n1)C(=O)O | 10.1021/jm00101a008 | ||
CHEMBL138380 | 29175 | 0 | None | - | 1 | Human | 7.0 | pIC50 | = | 7 | Functional | ChEMBL | 403 | 10 | 1 | 3 | 6.5 | CC(C)(CCCCCOc1cc(-c2ccccc2)cc(-c2ccccc2)n1)C(=O)O | 10.1021/jm00101a008 | ||
10047140 | 27400 | 0 | None | - | 1 | Human | 6.0 | pIC50 | = | 6 | Functional | ChEMBL | 409 | 9 | 1 | 3 | 6.3 | CC(CCCCOc1cc(-c2cccc(Cl)c2)cc(-c2ccccc2)n1)C(=O)O | 10.1021/jm00101a008 | ||
CHEMBL136960 | 27400 | 0 | None | - | 1 | Human | 6.0 | pIC50 | = | 6 | Functional | ChEMBL | 409 | 9 | 1 | 3 | 6.3 | CC(CCCCOc1cc(-c2cccc(Cl)c2)cc(-c2ccccc2)n1)C(=O)O | 10.1021/jm00101a008 | ||
14946858 | 28948 | 0 | None | - | 1 | Human | 6.0 | pIC50 | = | 6 | Functional | ChEMBL | 375 | 9 | 0 | 4 | 5.5 | COC(=O)CCCCCOc1cc(-c2ccccc2)cc(-c2ccccc2)n1 | 10.1021/jm00101a008 | ||
CHEMBL138174 | 28948 | 0 | None | - | 1 | Human | 6.0 | pIC50 | = | 6 | Functional | ChEMBL | 375 | 9 | 0 | 4 | 5.5 | COC(=O)CCCCCOc1cc(-c2ccccc2)cc(-c2ccccc2)n1 | 10.1021/jm00101a008 | ||
6444688 | 186737 | 29 | None | - | 1 | Human | 6.0 | pIC50 | = | 6 | Functional | ChEMBL | 502 | 14 | 2 | 5 | 5.9 | COc1ccc(/C=C/CCCCOc2ccc(C(=O)c3cccc(C(=O)O)c3)cc2CCC(=O)O)cc1 | 10.1021/jm00101a008 | ||
CHEMBL49302 | 186737 | 29 | None | - | 1 | Human | 6.0 | pIC50 | = | 6 | Functional | ChEMBL | 502 | 14 | 2 | 5 | 5.9 | COc1ccc(/C=C/CCCCOc2ccc(C(=O)c3cccc(C(=O)O)c3)cc2CCC(=O)O)cc1 | 10.1021/jm00101a008 | ||
10071290 | 27890 | 0 | None | - | 1 | Human | 5.0 | pIC50 | = | 5 | Functional | ChEMBL | 429 | 9 | 1 | 3 | 6.5 | O=C(O)CCCCCOc1cc(-c2ccc(C(F)(F)F)cc2)cc(-c2ccccc2)n1 | 10.1021/jm00101a008 | ||
CHEMBL137303 | 27890 | 0 | None | - | 1 | Human | 5.0 | pIC50 | = | 5 | Functional | ChEMBL | 429 | 9 | 1 | 3 | 6.5 | O=C(O)CCCCCOc1cc(-c2ccc(C(F)(F)F)cc2)cc(-c2ccccc2)n1 | 10.1021/jm00101a008 | ||
25192022 | 3303 | 4 | None | 21 | 2 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 630 | 18 | 2 | 7 | 8.3 | OC(=O)CCc1c(CCCCCCOc2cc(cc(c2)c2ccc3c(c2)OCO3)c2ccsc2)cccc1OCCCC(=O)O | 10.1021/jm1001919 | ||
6158 | 3303 | 4 | None | 21 | 2 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 630 | 18 | 2 | 7 | 8.3 | OC(=O)CCc1c(CCCCCCOc2cc(cc(c2)c2ccc3c(c2)OCO3)c2ccsc2)cccc1OCCCC(=O)O | 10.1021/jm1001919 | ||
CHEMBL1098560 | 3303 | 4 | None | 21 | 2 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 630 | 18 | 2 | 7 | 8.3 | OC(=O)CCc1c(CCCCCCOc2cc(cc(c2)c2ccc3c(c2)OCO3)c2ccsc2)cccc1OCCCC(=O)O | 10.1021/jm1001919 | ||
6444688 | 186737 | 29 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 502 | 14 | 2 | 5 | 5.9 | COc1ccc(/C=C/CCCCOc2ccc(C(=O)c3cccc(C(=O)O)c3)cc2CCC(=O)O)cc1 | 10.1021/jm00100a034 | ||
CHEMBL49302 | 186737 | 29 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 502 | 14 | 2 | 5 | 5.9 | COc1ccc(/C=C/CCCCOc2ccc(C(=O)c3cccc(C(=O)O)c3)cc2CCC(=O)O)cc1 | 10.1021/jm00100a034 | ||
10343923 | 27575 | 0 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 453 | 9 | 1 | 5 | 6.1 | CC(CCCCOc1cc(-c2ccc3c(c2)OCO3)cc(-c2ccccc2Cl)n1)C(=O)O | 10.1021/jm00101a008 | ||
CHEMBL137074 | 27575 | 0 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 453 | 9 | 1 | 5 | 6.1 | CC(CCCCOc1cc(-c2ccc3c(c2)OCO3)cc(-c2ccccc2Cl)n1)C(=O)O | 10.1021/jm00101a008 | ||
10477988 | 27932 | 0 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 433 | 9 | 1 | 5 | 5.8 | CC(C)(CCCCOc1cc(-c2ccc3c(c2)OCO3)cc(-c2ccccc2)n1)C(=O)O | 10.1021/jm00101a008 | ||
CHEMBL137330 | 27932 | 0 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 433 | 9 | 1 | 5 | 5.8 | CC(C)(CCCCOc1cc(-c2ccc3c(c2)OCO3)cc(-c2ccccc2)n1)C(=O)O | 10.1021/jm00101a008 | ||
10364772 | 27949 | 0 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 419 | 9 | 1 | 5 | 5.4 | CC(CCCCOc1cc(-c2ccc3c(c2)OCO3)cc(-c2ccccc2)n1)C(=O)O | 10.1021/jm00101a008 | ||
CHEMBL137341 | 27949 | 0 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 419 | 9 | 1 | 5 | 5.4 | CC(CCCCOc1cc(-c2ccc3c(c2)OCO3)cc(-c2ccccc2)n1)C(=O)O | 10.1021/jm00101a008 | ||
25192471 | 8448 | 0 | None | 15 | 2 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 642 | 18 | 2 | 6 | 8.3 | O=C(O)CCCOc1cccc(CCCCCCOc2cc(-c3cccc(F)c3)cc(-c3ccc4c(c3)OCO4)c2)c1CCC(=O)O | 10.1021/jm1001919 | ||
CHEMBL1094348 | 8448 | 0 | None | 15 | 2 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 642 | 18 | 2 | 6 | 8.3 | O=C(O)CCCOc1cccc(CCCCCCOc2cc(-c3cccc(F)c3)cc(-c3ccc4c(c3)OCO4)c2)c1CCC(=O)O | 10.1021/jm1001919 | ||
6444688 | 186737 | 29 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 502 | 14 | 2 | 5 | 5.9 | COc1ccc(/C=C/CCCCOc2ccc(C(=O)c3cccc(C(=O)O)c3)cc2CCC(=O)O)cc1 | 10.1021/jm960088k | ||
CHEMBL49302 | 186737 | 29 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 502 | 14 | 2 | 5 | 5.9 | COc1ccc(/C=C/CCCCOc2ccc(C(=O)c3cccc(C(=O)O)c3)cc2CCC(=O)O)cc1 | 10.1021/jm960088k | ||
46888200 | 9039 | 0 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 637 | 18 | 3 | 4 | 9.1 | O=C(O)CCCOc1cccc(CCCCCCOc2cc(-c3cccc(F)c3)cc(-c3ccc4[nH]ccc4c3)c2)c1CCC(=O)O | 10.1021/jm1001919 | ||
CHEMBL1099336 | 9039 | 0 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 637 | 18 | 3 | 4 | 9.1 | O=C(O)CCCOc1cccc(CCCCCCOc2cc(-c3cccc(F)c3)cc(-c3ccc4[nH]ccc4c3)c2)c1CCC(=O)O | 10.1021/jm1001919 | ||
10341242 | 27942 | 0 | None | - | 1 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 405 | 10 | 1 | 4 | 5.7 | COc1cccc(-c2cc(OCCCCC(C)C(=O)O)nc(-c3ccccc3)c2)c1 | 10.1021/jm00101a008 | ||
CHEMBL137336 | 27942 | 0 | None | - | 1 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 405 | 10 | 1 | 4 | 5.7 | COc1cccc(-c2cc(OCCCCC(C)C(=O)O)nc(-c3ccccc3)c2)c1 | 10.1021/jm00101a008 | ||
6450158 | 186591 | 14 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 516 | 12 | 2 | 6 | 5.9 | COc1ccc(/C=C/CCCCOc2ccc3c(=O)c4cc(C(=O)O)ccc4oc3c2CCC(=O)O)cc1 | 10.1021/jm00064a006 | ||
CHEMBL49210 | 186591 | 14 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 516 | 12 | 2 | 6 | 5.9 | COc1ccc(/C=C/CCCCOc2ccc3c(=O)c4cc(C(=O)O)ccc4oc3c2CCC(=O)O)cc1 | 10.1021/jm00064a006 | ||
46888199 | 9032 | 0 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 696 | 18 | 2 | 8 | 8.0 | O=C(O)CCCOc1cccc(CCCCCCOc2cc(-c3ccc4c(c3)OCCO4)cc(-c3ccc4c(c3)OCCO4)c2)c1CCC(=O)O | 10.1021/jm1001919 | ||
CHEMBL1099329 | 9032 | 0 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 696 | 18 | 2 | 8 | 8.0 | O=C(O)CCCOc1cccc(CCCCCCOc2cc(-c3ccc4c(c3)OCCO4)cc(-c3ccc4c(c3)OCCO4)c2)c1CCC(=O)O | 10.1021/jm1001919 | ||
114999 | 3482 | 15 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 484 | 13 | 1 | 6 | 5.4 | CCCc1c(OCCCOc2ccc(c(c2CCC)OC)C(=O)C)ccc2c1OC(CC2)C(=O)O | 10.1016/0960-894X(95)00135-G | ||
6156 | 3482 | 15 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 484 | 13 | 1 | 6 | 5.4 | CCCc1c(OCCCOc2ccc(c(c2CCC)OC)C(=O)C)ccc2c1OC(CC2)C(=O)O | 10.1016/0960-894X(95)00135-G | ||
CHEMBL14823 | 3482 | 15 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 484 | 13 | 1 | 6 | 5.4 | CCCc1c(OCCCOc2ccc(c(c2CCC)OC)C(=O)C)ccc2c1OC(CC2)C(=O)O | 10.1016/0960-894X(95)00135-G | ||
44382384 | 59230 | 0 | None | - | 1 | Human | 4.9 | pIC50 | = | 4.9 | Functional | ChEMBL | 412 | 5 | 1 | 5 | 5.1 | CC(Oc1ccc2c(c1)OC[C@H](Cc1ccccn1)[C@@H]2O)c1ccc2ccccc2n1 | 10.1016/0960-894X(95)00135-G | ||
CHEMBL171666 | 59230 | 0 | None | - | 1 | Human | 4.9 | pIC50 | = | 4.9 | Functional | ChEMBL | 412 | 5 | 1 | 5 | 5.1 | CC(Oc1ccc2c(c1)OC[C@H](Cc1ccccn1)[C@@H]2O)c1ccc2ccccc2n1 | 10.1016/0960-894X(95)00135-G | ||
10092630 | 27613 | 0 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 404 | 9 | 2 | 4 | 5.7 | CC(C)(CCCCOc1cc(-c2ccc(N)cc2)cc(-c2ccccc2)n1)C(=O)O | 10.1021/jm00101a008 | ||
CHEMBL137104 | 27613 | 0 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 404 | 9 | 2 | 4 | 5.7 | CC(C)(CCCCOc1cc(-c2ccc(N)cc2)cc(-c2ccccc2)n1)C(=O)O | 10.1021/jm00101a008 | ||
10475503 | 27799 | 0 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 390 | 9 | 2 | 4 | 5.3 | CC(CCCCOc1cc(-c2ccc(N)cc2)cc(-c2ccccc2)n1)C(=O)O | 10.1021/jm00101a008 | ||
CHEMBL137247 | 27799 | 0 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 390 | 9 | 2 | 4 | 5.3 | CC(CCCCOc1cc(-c2ccc(N)cc2)cc(-c2ccccc2)n1)C(=O)O | 10.1021/jm00101a008 | ||
10023244 | 25957 | 1 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 389 | 9 | 1 | 3 | 6.1 | CC(C)(CCCCOc1cc(-c2ccccc2)cc(-c2ccccc2)n1)C(=O)O | 10.1021/jm00101a008 | ||
CHEMBL135671 | 25957 | 1 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 389 | 9 | 1 | 3 | 6.1 | CC(C)(CCCCOc1cc(-c2ccccc2)cc(-c2ccccc2)n1)C(=O)O | 10.1021/jm00101a008 | ||
44357534 | 26535 | 0 | None | - | 1 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 385 | 9 | 0 | 6 | 4.7 | c1ccc(-c2cc(OCCCCCn3cnnn3)nc(-c3ccccc3)c2)cc1 | 10.1021/jm00101a008 | ||
CHEMBL136243 | 26535 | 0 | None | - | 1 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 385 | 9 | 0 | 6 | 4.7 | c1ccc(-c2cc(OCCCCCn3cnnn3)nc(-c3ccccc3)c2)cc1 | 10.1021/jm00101a008 | ||
10406292 | 28184 | 0 | None | - | 1 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 361 | 9 | 1 | 3 | 5.4 | O=C(O)CCCCCOc1cc(-c2ccccc2)cc(-c2ccccc2)n1 | 10.1021/jm00101a008 | ||
CHEMBL137504 | 28184 | 0 | None | - | 1 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 361 | 9 | 1 | 3 | 5.4 | O=C(O)CCCCCOc1cc(-c2ccccc2)cc(-c2ccccc2)n1 | 10.1021/jm00101a008 | ||
9865985 | 28461 | 0 | None | - | 1 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 405 | 9 | 1 | 5 | 5.2 | O=C(O)CCCCCOc1cc(-c2ccc3c(c2)OCO3)cc(-c2ccccc2)n1 | 10.1021/jm00101a008 | ||
CHEMBL137759 | 28461 | 0 | None | - | 1 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 405 | 9 | 1 | 5 | 5.2 | O=C(O)CCCCCOc1cc(-c2ccc3c(c2)OCO3)cc(-c2ccccc2)n1 | 10.1021/jm00101a008 | ||
10427789 | 27732 | 0 | None | - | 1 | Human | 4.7 | pIC50 | = | 4.7 | Functional | ChEMBL | 347 | 8 | 1 | 3 | 5.0 | O=C(O)CCCCOc1cc(-c2ccccc2)cc(-c2ccccc2)n1 | 10.1021/jm00101a008 | ||
CHEMBL137201 | 27732 | 0 | None | - | 1 | Human | 4.7 | pIC50 | = | 4.7 | Functional | ChEMBL | 347 | 8 | 1 | 3 | 5.0 | O=C(O)CCCCOc1cc(-c2ccccc2)cc(-c2ccccc2)n1 | 10.1021/jm00101a008 | ||
23501721 | 9033 | 0 | None | 316 | 2 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 581 | 18 | 2 | 5 | 7.9 | O=C(O)CCCOc1cccc(CCCCCCOc2cc(-c3ccccc3)cc(-c3ccccc3)n2)c1CCC(=O)O | 10.1021/jm1001919 | ||
CHEMBL1099330 | 9033 | 0 | None | 316 | 2 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 581 | 18 | 2 | 5 | 7.9 | O=C(O)CCCOc1cccc(CCCCCCOc2cc(-c3ccccc3)cc(-c3ccccc3)n2)c1CCC(=O)O | 10.1021/jm1001919 | ||
9976757 | 28289 | 0 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 375 | 9 | 1 | 3 | 5.7 | CC(CCCCOc1cc(-c2ccccc2)cc(-c2ccccc2)n1)C(=O)O | 10.1021/jm00101a008 | ||
CHEMBL137581 | 28289 | 0 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 375 | 9 | 1 | 3 | 5.7 | CC(CCCCOc1cc(-c2ccccc2)cc(-c2ccccc2)n1)C(=O)O | 10.1021/jm00101a008 | ||
44382378 | 58561 | 0 | None | - | 1 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 412 | 5 | 1 | 5 | 5.1 | CC(Oc1ccc2c(c1)OC[C@@H](Cc1ccccn1)[C@@H]2O)c1ccc2ccccc2n1 | 10.1016/0960-894X(95)00135-G | ||
CHEMBL168854 | 58561 | 0 | None | - | 1 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 412 | 5 | 1 | 5 | 5.1 | CC(Oc1ccc2c(c1)OC[C@@H](Cc1ccccn1)[C@@H]2O)c1ccc2ccccc2n1 | 10.1016/0960-894X(95)00135-G | ||
10474602 | 25774 | 0 | None | - | 1 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 375 | 10 | 1 | 3 | 5.8 | O=C(O)CCCCCCOc1cc(-c2ccccc2)cc(-c2ccccc2)n1 | 10.1021/jm00101a008 | ||
CHEMBL135434 | 25774 | 0 | None | - | 1 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 375 | 10 | 1 | 3 | 5.8 | O=C(O)CCCCCCOc1cc(-c2ccccc2)cc(-c2ccccc2)n1 | 10.1021/jm00101a008 | ||
46888201 | 9041 | 0 | None | - | 1 | Human | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | 654 | 19 | 2 | 7 | 8.2 | COc1ccc(-c2cc(OCCCCCCc3cccc(OCCCC(=O)O)c3CCC(=O)O)cc(-c3ccc4c(c3)OCO4)c2)cc1 | 10.1021/jm1001919 | ||
CHEMBL1099338 | 9041 | 0 | None | - | 1 | Human | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | 654 | 19 | 2 | 7 | 8.2 | COc1ccc(-c2cc(OCCCCCCc3cccc(OCCCC(=O)O)c3CCC(=O)O)cc(-c3ccc4c(c3)OCO4)c2)cc1 | 10.1021/jm1001919 | ||
3368 | 1150 | 18 | None | -3 | 2 | Mouse | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 428 | 5 | 2 | 3 | 5.5 | OC(=O)C1(CCCC1)c1ccc2c(c1)OC[C@@H]([C@H]2O)Cc1ccc(cc1)c1ccccc1 | 10.1021/jm00046a001 | ||
9867257 | 1150 | 18 | None | -3 | 2 | Mouse | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 428 | 5 | 2 | 3 | 5.5 | OC(=O)C1(CCCC1)c1ccc2c(c1)OC[C@@H]([C@H]2O)Cc1ccc(cc1)c1ccccc1 | 10.1021/jm00046a001 | ||
CHEMBL51770 | 1150 | 18 | None | -3 | 2 | Mouse | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 428 | 5 | 2 | 3 | 5.5 | OC(=O)C1(CCCC1)c1ccc2c(c1)OC[C@@H]([C@H]2O)Cc1ccc(cc1)c1ccccc1 | 10.1021/jm00046a001 | ||
10001576 | 28169 | 0 | None | - | 1 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 409 | 9 | 1 | 3 | 6.3 | CC(CCCCOc1cc(-c2ccc(Cl)cc2)cc(-c2ccccc2)n1)C(=O)O | 10.1021/jm00101a008 | ||
CHEMBL137494 | 28169 | 0 | None | - | 1 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 409 | 9 | 1 | 3 | 6.3 | CC(CCCCOc1cc(-c2ccc(Cl)cc2)cc(-c2ccccc2)n1)C(=O)O | 10.1021/jm00101a008 | ||
10046878 | 28221 | 0 | None | - | 1 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 405 | 10 | 1 | 4 | 5.7 | COc1ccc(-c2cc(OCCCCC(C)C(=O)O)nc(-c3ccccc3)c2)cc1 | 10.1021/jm00101a008 | ||
CHEMBL137531 | 28221 | 0 | None | - | 1 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 405 | 10 | 1 | 4 | 5.7 | COc1ccc(-c2cc(OCCCCC(C)C(=O)O)nc(-c3ccccc3)c2)cc1 | 10.1021/jm00101a008 | ||
46888196 | 9028 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 640 | 20 | 2 | 6 | 8.5 | COc1ccc(-c2cc(OCCCCCCc3cccc(OCCCC(=O)O)c3CCC(=O)O)cc(-c3ccc(OC)cc3)c2)cc1 | 10.1021/jm1001919 | ||
CHEMBL1099325 | 9028 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 640 | 20 | 2 | 6 | 8.5 | COc1ccc(-c2cc(OCCCCCCc3cccc(OCCCC(=O)O)c3CCC(=O)O)cc(-c3ccc(OC)cc3)c2)cc1 | 10.1021/jm1001919 | ||
44382275 | 59425 | 0 | None | - | 1 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 412 | 5 | 1 | 5 | 5.1 | C[C@@H](Oc1ccc2c(c1)OC[C@@H](Cc1cccnc1)[C@@H]2O)c1ccc2ccccc2n1 | 10.1016/0960-894X(95)00135-G | ||
CHEMBL172457 | 59425 | 0 | None | - | 1 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 412 | 5 | 1 | 5 | 5.1 | C[C@@H](Oc1ccc2c(c1)OC[C@@H](Cc1cccnc1)[C@@H]2O)c1ccc2ccccc2n1 | 10.1016/0960-894X(95)00135-G | ||
25192021 | 9026 | 0 | None | 223 | 2 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 580 | 18 | 2 | 4 | 8.5 | O=C(O)CCCOc1cccc(CCCCCCOc2cc(-c3ccccc3)cc(-c3ccccc3)c2)c1CCC(=O)O | 10.1021/jm1001919 | ||
CHEMBL1099323 | 9026 | 0 | None | 223 | 2 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 580 | 18 | 2 | 4 | 8.5 | O=C(O)CCCOc1cccc(CCCCCCOc2cc(-c3ccccc3)cc(-c3ccccc3)c2)c1CCC(=O)O | 10.1021/jm1001919 | ||
44382276 | 119810 | 0 | None | - | 1 | Human | 4.4 | pIC50 | = | 4.4 | Functional | ChEMBL | 412 | 5 | 1 | 5 | 5.1 | CC(Oc1ccc2c(c1)OC[C@H](Cc1cccnc1)[C@@H]2O)c1ccc2ccccc2n1 | 10.1016/0960-894X(95)00135-G | ||
CHEMBL352814 | 119810 | 0 | None | - | 1 | Human | 4.4 | pIC50 | = | 4.4 | Functional | ChEMBL | 412 | 5 | 1 | 5 | 5.1 | CC(Oc1ccc2c(c1)OC[C@H](Cc1cccnc1)[C@@H]2O)c1ccc2ccccc2n1 | 10.1016/0960-894X(95)00135-G | ||
9978895 | 118471 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 409 | 9 | 1 | 3 | 6.3 | CC(CCCCOc1cc(-c2ccccc2)cc(-c2ccccc2Cl)n1)C(=O)O | 10.1021/jm00101a008 | ||
CHEMBL342416 | 118471 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 409 | 9 | 1 | 3 | 6.3 | CC(CCCCOc1cc(-c2ccccc2)cc(-c2ccccc2Cl)n1)C(=O)O | 10.1021/jm00101a008 | ||
10021742 | 9365 | 4 | None | - | 1 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 365 | 4 | 1 | 7 | 2.6 | Cn1c(N)nc(Cc2ccc3c(c2)OCO3)c1Cc1ccc2c(c1)OCO2 | 10.1021/np50100a005 | ||
CHEMBL111825 | 9365 | 4 | None | - | 1 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 365 | 4 | 1 | 7 | 2.6 | Cn1c(N)nc(Cc2ccc3c(c2)OCO3)c1Cc1ccc2c(c1)OCO2 | 10.1021/np50100a005 | ||
44356239 | 27634 | 0 | None | - | 1 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 361 | 8 | 0 | 2 | 4.9 | CN(CCc1ccccc1)C(=O)CC1=CC=C(OCc2ccccc2)CC1 | 10.1021/jm00100a034 | ||
CHEMBL137121 | 27634 | 0 | None | - | 1 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 361 | 8 | 0 | 2 | 4.9 | CN(CCc1ccccc1)C(=O)CC1=CC=C(OCc2ccccc2)CC1 | 10.1021/jm00100a034 | ||
46888197 | 9030 | 0 | None | - | 1 | Human | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 582 | 18 | 2 | 6 | 7.3 | O=C(O)CCCOc1cccc(CCCCCCOc2cc(-c3ccccc3)cc(-c3cncnc3)c2)c1CCC(=O)O | 10.1021/jm1001919 | ||
CHEMBL1099327 | 9030 | 0 | None | - | 1 | Human | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 582 | 18 | 2 | 6 | 7.3 | O=C(O)CCCOc1cccc(CCCCCCOc2cc(-c3ccccc3)cc(-c3cncnc3)c2)c1CCC(=O)O | 10.1021/jm1001919 | ||
46888198 | 9031 | 0 | None | - | 1 | Human | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 668 | 18 | 2 | 8 | 7.9 | O=C(O)CCCOc1cccc(CCCCCCOc2cc(-c3ccc4c(c3)OCO4)cc(-c3ccc4c(c3)OCO4)c2)c1CCC(=O)O | 10.1021/jm1001919 | ||
CHEMBL1099328 | 9031 | 0 | None | - | 1 | Human | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 668 | 18 | 2 | 8 | 7.9 | O=C(O)CCCOc1cccc(CCCCCCOc2cc(-c3ccc4c(c3)OCO4)cc(-c3ccc4c(c3)OCO4)c2)c1CCC(=O)O | 10.1021/jm1001919 | ||
9934323 | 99789 | 0 | None | - | 1 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 468 | 14 | 2 | 5 | 6.2 | CCCCCCCCCCOc1ccc2c(=O)c3cc(C(=O)O)ccc3oc2c1CCC(=O)O | 10.1021/jm00064a006 | ||
CHEMBL288758 | 99789 | 0 | None | - | 1 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 468 | 14 | 2 | 5 | 6.2 | CCCCCCCCCCOc1ccc2c(=O)c3cc(C(=O)O)ccc3oc2c1CCC(=O)O | 10.1021/jm00064a006 | ||
10091738 | 27595 | 0 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 389 | 9 | 1 | 3 | 6.0 | Cc1ccc(-c2cc(OCCCCC(C)C(=O)O)nc(-c3ccccc3)c2)cc1 | 10.1021/jm00101a008 | ||
CHEMBL137089 | 27595 | 0 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 389 | 9 | 1 | 3 | 6.0 | Cc1ccc(-c2cc(OCCCCC(C)C(=O)O)nc(-c3ccccc3)c2)cc1 | 10.1021/jm00101a008 | ||
46888202 | 8450 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 656 | 18 | 2 | 6 | 8.4 | O=C(O)CCCOc1cccc(CCCCCCOc2cc(-c3ccc(F)cc3)cc(-c3ccc4c(c3)OCCO4)c2)c1CCC(=O)O | 10.1021/jm1001919 | ||
CHEMBL1094350 | 8450 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 656 | 18 | 2 | 6 | 8.4 | O=C(O)CCCOc1cccc(CCCCCCOc2cc(-c3ccc(F)cc3)cc(-c3ccc4c(c3)OCCO4)c2)c1CCC(=O)O | 10.1021/jm1001919 | ||
44382468 | 58779 | 0 | None | - | 1 | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 412 | 5 | 1 | 5 | 5.1 | C[C@H](Oc1ccc2c(c1)OC[C@@H](Cc1cccnc1)[C@@H]2O)c1ccc2ccccc2n1 | 10.1016/0960-894X(95)00135-G | ||
CHEMBL169639 | 58779 | 0 | None | - | 1 | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 412 | 5 | 1 | 5 | 5.1 | C[C@H](Oc1ccc2c(c1)OC[C@@H](Cc1cccnc1)[C@@H]2O)c1ccc2ccccc2n1 | 10.1016/0960-894X(95)00135-G | ||
10430674 | 118833 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 393 | 9 | 1 | 3 | 5.8 | CC(CCCCOc1cc(-c2ccccc2)cc(-c2ccccc2F)n1)C(=O)O | 10.1021/jm00101a008 | ||
CHEMBL344230 | 118833 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 393 | 9 | 1 | 3 | 5.8 | CC(CCCCOc1cc(-c2ccccc2)cc(-c2ccccc2F)n1)C(=O)O | 10.1021/jm00101a008 | ||
25174150 | 9029 | 0 | None | 64 | 2 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 582 | 18 | 2 | 6 | 7.3 | O=C(O)CCCOc1cccc(CCCCCCOc2cc(-c3ccncc3)cc(-c3ccncc3)c2)c1CCC(=O)O | 10.1021/jm1001919 | ||
CHEMBL1099326 | 9029 | 0 | None | 64 | 2 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 582 | 18 | 2 | 6 | 7.3 | O=C(O)CCCOc1cccc(CCCCCCOc2cc(-c3ccncc3)cc(-c3ccncc3)c2)c1CCC(=O)O | 10.1021/jm1001919 | ||
44357546 | 116253 | 0 | None | - | 1 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 399 | 9 | 0 | 6 | 5.2 | CC(CCCCOc1cc(-c2ccccc2)cc(-c2ccccc2)n1)n1cnnn1 | 10.1021/jm00101a008 | ||
CHEMBL337563 | 116253 | 0 | None | - | 1 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 399 | 9 | 0 | 6 | 5.2 | CC(CCCCOc1cc(-c2ccccc2)cc(-c2ccccc2)n1)n1cnnn1 | 10.1021/jm00101a008 | ||
46888195 | 9027 | 0 | None | - | 1 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 616 | 18 | 2 | 4 | 8.7 | O=C(O)CCCOc1cccc(CCCCCCOc2cc(-c3ccc(F)cc3)cc(-c3ccc(F)cc3)c2)c1CCC(=O)O | 10.1021/jm1001919 | ||
CHEMBL1099324 | 9027 | 0 | None | - | 1 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 616 | 18 | 2 | 4 | 8.7 | O=C(O)CCCOc1cccc(CCCCCCOc2cc(-c3ccc(F)cc3)cc(-c3ccc(F)cc3)c2)c1CCC(=O)O | 10.1021/jm1001919 | ||
122023 | 50523 | 56 | None | 1 | 3 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 360 | 10 | 2 | 6 | 3.6 | CCc1cc(C(C)=O)c(O)cc1OCCCCCC(C)(C)c1nn[nH]n1 | 10.1021/jm960088k | ||
CHEMBL15766 | 50523 | 56 | None | 1 | 3 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 360 | 10 | 2 | 6 | 3.6 | CCc1cc(C(C)=O)c(O)cc1OCCCCCC(C)(C)c1nn[nH]n1 | 10.1021/jm960088k | ||
CHEMBL45460 | 50523 | 56 | None | 1 | 3 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 360 | 10 | 2 | 6 | 3.6 | CCc1cc(C(C)=O)c(O)cc1OCCCCCC(C)(C)c1nn[nH]n1 | 10.1021/jm960088k | ||
132379 | 111240 | 13 | None | - | 1 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 453 | 9 | 1 | 3 | 5.4 | CN(CCc1ccccc1)C(=O)Cc1cc(C(=O)O)cc2c(OCc3ccccc3)cccc12 | 10.1021/jm00100a034 | ||
CHEMBL328712 | 111240 | 13 | None | - | 1 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 453 | 9 | 1 | 3 | 5.4 | CN(CCc1ccccc1)C(=O)Cc1cc(C(=O)O)cc2c(OCc3ccccc3)cccc12 | 10.1021/jm00100a034 | ||
3368 | 1150 | 18 | None | 3 | 2 | Human | 8.0 | pIC50 | = | 8.0 | Functional | ChEMBL | 428 | 5 | 2 | 3 | 5.5 | OC(=O)C1(CCCC1)c1ccc2c(c1)OC[C@@H]([C@H]2O)Cc1ccc(cc1)c1ccccc1 | 10.1021/jm00046a001 | ||
9867257 | 1150 | 18 | None | 3 | 2 | Human | 8.0 | pIC50 | = | 8.0 | Functional | ChEMBL | 428 | 5 | 2 | 3 | 5.5 | OC(=O)C1(CCCC1)c1ccc2c(c1)OC[C@@H]([C@H]2O)Cc1ccc(cc1)c1ccccc1 | 10.1021/jm00046a001 | ||
CHEMBL51770 | 1150 | 18 | None | 3 | 2 | Human | 8.0 | pIC50 | = | 8.0 | Functional | ChEMBL | 428 | 5 | 2 | 3 | 5.5 | OC(=O)C1(CCCC1)c1ccc2c(c1)OC[C@@H]([C@H]2O)Cc1ccc(cc1)c1ccccc1 | 10.1021/jm00046a001 | ||
10022413 | 27451 | 0 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 376 | 9 | 2 | 4 | 5.0 | Nc1ccc(-c2cc(OCCCCCC(=O)O)nc(-c3ccccc3)c2)cc1 | 10.1021/jm00101a008 | ||
CHEMBL136991 | 27451 | 0 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 376 | 9 | 2 | 4 | 5.0 | Nc1ccc(-c2cc(OCCCCCC(=O)O)nc(-c3ccccc3)c2)cc1 | 10.1021/jm00101a008 | ||
10692884 | 187582 | 0 | None | - | 0 | Human | 8.0 | pKi | = | 8.0 | Functional | ChEMBL | 409 | 10 | 1 | 3 | 5.1 | CCN(CC)C(=O)/C=C(\C)c1ccc(OC(C)c2ccccc2)c(CCC(=O)O)c1 | 10.1021/jm980540v | ||
CHEMBL49866 | 187582 | 0 | None | - | 0 | Human | 8.0 | pKi | = | 8.0 | Functional | ChEMBL | 409 | 10 | 1 | 3 | 5.1 | CCN(CC)C(=O)/C=C(\C)c1ccc(OC(C)c2ccccc2)c(CCC(=O)O)c1 | 10.1021/jm980540v | ||
60490 | 205530 | 104 | None | -8 | 2 | Human | 8.2 | pIC50 | = | 8.2 | Functional | Drug Central | 236 | 2 | 2 | 3 | 2.7 | CC(c1cc2ccccc2s1)N(O)C(N)=O | None | ||
CHEMBL93 | 205530 | 104 | None | -8 | 2 | Human | 8.2 | pIC50 | = | 8.2 | Functional | Drug Central | 236 | 2 | 2 | 3 | 2.7 | CC(c1cc2ccccc2s1)N(O)C(N)=O | None | ||
71398 | 105958 | 37 | None | 3 | 2 | Human | 8.2 | pIC50 | = | 8.2 | Functional | Drug Central | 302 | 5 | 4 | 4 | 3.6 | C[C@@H](Cc1ccc(O)c(O)c1)[C@H](C)Cc1ccc(O)c(O)c1 | None | ||
CHEMBL313972 | 105958 | 37 | None | 3 | 2 | Human | 8.2 | pIC50 | = | 8.2 | Functional | Drug Central | 302 | 5 | 4 | 4 | 3.6 | C[C@@H](Cc1ccc(O)c(O)c1)[C@H](C)Cc1ccc(O)c(O)c1 | None | ||
6157 | 2889 | 16 | None | - | 1 | Human | 5.8 | pIC50 | = | 5.8 | Functional | Guide to Pharmacology | 470 | 17 | 2 | 5 | 5.6 | COc1ccc(cc1)/C=C/CCCCOc1cccc(c1CCC(=O)O)OCCCCC(=O)O | 1332129 | ||
6438358 | 2889 | 16 | None | - | 1 | Human | 5.8 | pIC50 | = | 5.8 | Functional | Guide to Pharmacology | 470 | 17 | 2 | 5 | 5.6 | COc1ccc(cc1)/C=C/CCCCOc1cccc(c1CCC(=O)O)OCCCCC(=O)O | 1332129 | ||
CHEMBL422420 | 2889 | 16 | None | - | 1 | Human | 5.8 | pIC50 | = | 5.8 | Functional | Guide to Pharmacology | 470 | 17 | 2 | 5 | 5.6 | COc1ccc(cc1)/C=C/CCCCOc1cccc(c1CCC(=O)O)OCCCCC(=O)O | 1332129 | ||
114999 | 3482 | 15 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Functional | Guide to Pharmacology | 484 | 13 | 1 | 6 | 5.4 | CCCc1c(OCCCOc2ccc(c(c2CCC)OC)C(=O)C)ccc2c1OC(CC2)C(=O)O | 7786309 | ||
6156 | 3482 | 15 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Functional | Guide to Pharmacology | 484 | 13 | 1 | 6 | 5.4 | CCCc1c(OCCCOc2ccc(c(c2CCC)OC)C(=O)C)ccc2c1OC(CC2)C(=O)O | 7786309 | ||
CHEMBL14823 | 3482 | 15 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Functional | Guide to Pharmacology | 484 | 13 | 1 | 6 | 5.4 | CCCc1c(OCCCOc2ccc(c(c2CCC)OC)C(=O)C)ccc2c1OC(CC2)C(=O)O | 7786309 | ||
3368 | 1150 | 18 | None | 3 | 2 | Human | 8.1 | pIC50 | = | 8.1 | Functional | Guide to Pharmacology | 428 | 5 | 2 | 3 | 5.5 | OC(=O)C1(CCCC1)c1ccc2c(c1)OC[C@@H]([C@H]2O)Cc1ccc(cc1)c1ccccc1 | 7714764 | ||
9867257 | 1150 | 18 | None | 3 | 2 | Human | 8.1 | pIC50 | = | 8.1 | Functional | Guide to Pharmacology | 428 | 5 | 2 | 3 | 5.5 | OC(=O)C1(CCCC1)c1ccc2c(c1)OC[C@@H]([C@H]2O)Cc1ccc(cc1)c1ccccc1 | 7714764 | ||
CHEMBL51770 | 1150 | 18 | None | 3 | 2 | Human | 8.1 | pIC50 | = | 8.1 | Functional | Guide to Pharmacology | 428 | 5 | 2 | 3 | 5.5 | OC(=O)C1(CCCC1)c1ccc2c(c1)OC[C@@H]([C@H]2O)Cc1ccc(cc1)c1ccccc1 | 7714764 | ||
25192022 | 3303 | 4 | None | 21 | 2 | Human | 8.1 | pIC50 | = | 8.1 | Functional | Guide to Pharmacology | 630 | 18 | 2 | 7 | 8.3 | OC(=O)CCc1c(CCCCCCOc2cc(cc(c2)c2ccc3c(c2)OCO3)c2ccsc2)cccc1OCCCC(=O)O | 20214997 | ||
6158 | 3303 | 4 | None | 21 | 2 | Human | 8.1 | pIC50 | = | 8.1 | Functional | Guide to Pharmacology | 630 | 18 | 2 | 7 | 8.3 | OC(=O)CCc1c(CCCCCCOc2cc(cc(c2)c2ccc3c(c2)OCO3)c2ccsc2)cccc1OCCCC(=O)O | 20214997 | ||
CHEMBL1098560 | 3303 | 4 | None | 21 | 2 | Human | 8.1 | pIC50 | = | 8.1 | Functional | Guide to Pharmacology | 630 | 18 | 2 | 7 | 8.3 | OC(=O)CCc1c(CCCCCCOc2cc(cc(c2)c2ccc3c(c2)OCO3)c2ccsc2)cccc1OCCCC(=O)O | 20214997 | ||
177941 | 1558 | 40 | None | - | 1 | Human | 8.4 | pIC50 | = | 8.4 | Functional | Guide to Pharmacology | 544 | 13 | 2 | 5 | 8.1 | CCCc1c(OCCCOc2cc(O)c(cc2CC)c2ccc(cc2)F)cccc1Oc1ccccc1C(=O)O | 9862783 | ||
2948 | 1558 | 40 | None | - | 1 | Human | 8.4 | pIC50 | = | 8.4 | Functional | Guide to Pharmacology | 544 | 13 | 2 | 5 | 8.1 | CCCc1c(OCCCOc2cc(O)c(cc2CC)c2ccc(cc2)F)cccc1Oc1ccccc1C(=O)O | 9862783 | ||
CHEMBL329123 | 1558 | 40 | None | - | 1 | Human | 8.4 | pIC50 | = | 8.4 | Functional | Guide to Pharmacology | 544 | 13 | 2 | 5 | 8.1 | CCCc1c(OCCCOc2cc(O)c(cc2CC)c2ccc(cc2)F)cccc1Oc1ccccc1C(=O)O | 9862783 | ||
DB12850 | 1558 | 40 | None | - | 1 | Human | 8.4 | pIC50 | = | 8.4 | Functional | Guide to Pharmacology | 544 | 13 | 2 | 5 | 8.1 | CCCc1c(OCCCOc2cc(O)c(cc2CC)c2ccc(cc2)F)cccc1Oc1ccccc1C(=O)O | 9862783 | ||
6154 | 627 | 0 | None | - | 1 | Human | 8.5 | pIC50 | = | 8.5 | Functional | Guide to Pharmacology | 466 | 9 | 3 | 4 | 6.2 | Oc1ccc(cc1)C(c1ccc(cc1)OCc1cccc(c1)COc1ccc(cc1)C(=N)N)(C)C | 11259574 | ||
6154 | 627 | 0 | None | - | 1 | Human | 8.5 | pIC50 | = | 8.5 | Functional | Guide to Pharmacology | 466 | 9 | 3 | 4 | 6.2 | Oc1ccc(cc1)C(c1ccc(cc1)OCc1cccc(c1)COc1ccc(cc1)C(=N)N)(C)C | 17170051 | ||
9956189 | 627 | 0 | None | - | 1 | Human | 8.5 | pIC50 | = | 8.5 | Functional | Guide to Pharmacology | 466 | 9 | 3 | 4 | 6.2 | Oc1ccc(cc1)C(c1ccc(cc1)OCc1cccc(c1)COc1ccc(cc1)C(=N)N)(C)C | 11259574 | ||
9956189 | 627 | 0 | None | - | 1 | Human | 8.5 | pIC50 | = | 8.5 | Functional | Guide to Pharmacology | 466 | 9 | 3 | 4 | 6.2 | Oc1ccc(cc1)C(c1ccc(cc1)OCc1cccc(c1)COc1ccc(cc1)C(=N)N)(C)C | 17170051 | ||
6155 | 1153 | 0 | None | 1318 | 2 | Human | 8.6 | pIC50 | = | 8.6 | Functional | Guide to Pharmacology | 428 | 4 | 2 | 3 | 5.4 | O[C@@H]1[C@H](COc2c1ccc(c2)c1cc(ccc1C(=O)O)C(F)(F)F)Cc1ccccc1 | 9618393 | ||
9823886 | 1153 | 0 | None | 1318 | 2 | Human | 8.6 | pIC50 | = | 8.6 | Functional | Guide to Pharmacology | 428 | 4 | 2 | 3 | 5.4 | O[C@@H]1[C@H](COc2c1ccc(c2)c1cc(ccc1C(=O)O)C(F)(F)F)Cc1ccccc1 | 9618393 | ||
CHEMBL301829 | 1153 | 0 | None | 1318 | 2 | Human | 8.6 | pIC50 | = | 8.6 | Functional | Guide to Pharmacology | 428 | 4 | 2 | 3 | 5.4 | O[C@@H]1[C@H](COc2c1ccc(c2)c1cc(ccc1C(=O)O)C(F)(F)F)Cc1ccccc1 | 9618393 | ||
DB13053 | 1153 | 0 | None | 1318 | 2 | Human | 8.6 | pIC50 | = | 8.6 | Functional | Guide to Pharmacology | 428 | 4 | 2 | 3 | 5.4 | O[C@@H]1[C@H](COc2c1ccc(c2)c1cc(ccc1C(=O)O)C(F)(F)F)Cc1ccccc1 | 9618393 |
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 |
44379678 | 164370 | 0 | None | - | 0 | Human | 10.0 | pIC50 | = | 10 | Binding | ChEMBL | 527 | 14 | 2 | 6 | 5.4 | CCCc1c(OCCCOc2ccc(C(=O)NC(C)C)c(OC)c2CCC)ccc2c1OC(C(=O)O)CC2 | 10.1016/S0960-894X(01)80853-2 | ||
CHEMBL422388 | 164370 | 0 | None | - | 0 | Human | 10.0 | pIC50 | = | 10 | Binding | ChEMBL | 527 | 14 | 2 | 6 | 5.4 | CCCc1c(OCCCOc2ccc(C(=O)NC(C)C)c(OC)c2CCC)ccc2c1OC(C(=O)O)CC2 | 10.1016/S0960-894X(01)80853-2 | ||
44379453 | 57779 | 0 | None | - | 0 | Human | 9.8 | pIC50 | = | 9.8 | Binding | ChEMBL | 513 | 13 | 1 | 6 | 4.9 | CCCc1c(OCCCOc2ccc(C(=O)N(C)C)c(OC)c2CCC)ccc2c1OC(C(=O)O)CC2 | 10.1016/S0960-894X(01)80853-2 | ||
CHEMBL167350 | 57779 | 0 | None | - | 0 | Human | 9.8 | pIC50 | = | 9.8 | Binding | ChEMBL | 513 | 13 | 1 | 6 | 4.9 | CCCc1c(OCCCOc2ccc(C(=O)N(C)C)c(OC)c2CCC)ccc2c1OC(C(=O)O)CC2 | 10.1016/S0960-894X(01)80853-2 | ||
15817161 | 57827 | 0 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 499 | 13 | 2 | 6 | 4.6 | CCCc1c(OCCCOc2ccc(C(=O)NC)c(OC)c2CCC)ccc2c1OC(C(=O)O)CC2 | 10.1016/S0960-894X(01)80853-2 | ||
CHEMBL167804 | 57827 | 0 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 499 | 13 | 2 | 6 | 4.6 | CCCc1c(OCCCOc2ccc(C(=O)NC)c(OC)c2CCC)ccc2c1OC(C(=O)O)CC2 | 10.1016/S0960-894X(01)80853-2 | ||
9865985 | 28461 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9 | Binding | ChEMBL | 405 | 9 | 1 | 5 | 5.2 | O=C(O)CCCCCOc1cc(-c2ccc3c(c2)OCO3)cc(-c2ccccc2)n1 | 10.1021/jm00101a008 | ||
CHEMBL137759 | 28461 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9 | Binding | ChEMBL | 405 | 9 | 1 | 5 | 5.2 | O=C(O)CCCCCOc1cc(-c2ccc3c(c2)OCO3)cc(-c2ccccc2)n1 | 10.1021/jm00101a008 | ||
114999 | 3482 | 15 | None | - | 1 | Human | 9.0 | pIC50 | = | 9 | Binding | ChEMBL | 484 | 13 | 1 | 6 | 5.4 | CCCc1c(OCCCOc2ccc(c(c2CCC)OC)C(=O)C)ccc2c1OC(CC2)C(=O)O | 10.1016/S0960-894X(01)80853-2 | ||
6156 | 3482 | 15 | None | - | 1 | Human | 9.0 | pIC50 | = | 9 | Binding | ChEMBL | 484 | 13 | 1 | 6 | 5.4 | CCCc1c(OCCCOc2ccc(c(c2CCC)OC)C(=O)C)ccc2c1OC(CC2)C(=O)O | 10.1016/S0960-894X(01)80853-2 | ||
CHEMBL14823 | 3482 | 15 | None | - | 1 | Human | 9.0 | pIC50 | = | 9 | Binding | ChEMBL | 484 | 13 | 1 | 6 | 5.4 | CCCc1c(OCCCOc2ccc(c(c2CCC)OC)C(=O)C)ccc2c1OC(CC2)C(=O)O | 10.1016/S0960-894X(01)80853-2 | ||
204058 | 162907 | 5 | None | - | 1 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 539 | 15 | 2 | 6 | 5.4 | CCCc1c(OCCCOc2ccc(C(=O)NC)c(OC)c2CC2CC2)ccc2c1O[C@H](CCC(=O)O)CC2 | 10.1021/jm960088k | ||
CHEMBL419948 | 162907 | 5 | None | - | 1 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 539 | 15 | 2 | 6 | 5.4 | CCCc1c(OCCCOc2ccc(C(=O)NC)c(OC)c2CC2CC2)ccc2c1O[C@H](CCC(=O)O)CC2 | 10.1021/jm960088k | ||
196905 | 111141 | 8 | None | - | 0 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 539 | 15 | 2 | 6 | 5.4 | CCCc1c(OCCCOc2ccc(C(=O)NC)c(OC)c2CC2CC2)ccc2c1OC(CCC(=O)O)CC2 | 10.1021/jm960088k | ||
CHEMBL328492 | 111141 | 8 | None | - | 0 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 539 | 15 | 2 | 6 | 5.4 | CCCc1c(OCCCOc2ccc(C(=O)NC)c(OC)c2CC2CC2)ccc2c1OC(CCC(=O)O)CC2 | 10.1021/jm960088k | ||
2487 | 2336 | 32 | None | 31 | 2 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 336 | 14 | 3 | 3 | 4.2 | CCCCC/C=C\C[C@H](/C=C/C=C/C=C\[C@H](CCCC(=O)O)O)O | 10.1016/S0960-894X(01)80999-9 | ||
5280492 | 2336 | 32 | None | 31 | 2 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 336 | 14 | 3 | 3 | 4.2 | CCCCC/C=C\C[C@H](/C=C/C=C/C=C\[C@H](CCCC(=O)O)O)O | 10.1016/S0960-894X(01)80999-9 | ||
CHEMBL65061 | 2336 | 32 | None | 31 | 2 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 336 | 14 | 3 | 3 | 4.2 | CCCCC/C=C\C[C@H](/C=C/C=C/C=C\[C@H](CCCC(=O)O)O)O | 10.1016/S0960-894X(01)80999-9 | ||
DB12961 | 2336 | 32 | None | 31 | 2 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 336 | 14 | 3 | 3 | 4.2 | CCCCC/C=C\C[C@H](/C=C/C=C/C=C\[C@H](CCCC(=O)O)O)O | 10.1016/S0960-894X(01)80999-9 | ||
6444688 | 186737 | 29 | None | - | 1 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 502 | 14 | 2 | 5 | 5.9 | COc1ccc(/C=C/CCCCOc2ccc(C(=O)c3cccc(C(=O)O)c3)cc2CCC(=O)O)cc1 | 10.1021/jm00064a006 | ||
CHEMBL49302 | 186737 | 29 | None | - | 1 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 502 | 14 | 2 | 5 | 5.9 | COc1ccc(/C=C/CCCCOc2ccc(C(=O)c3cccc(C(=O)O)c3)cc2CCC(=O)O)cc1 | 10.1021/jm00064a006 | ||
2487 | 2336 | 32 | None | 31 | 2 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 336 | 14 | 3 | 3 | 4.2 | CCCCC/C=C\C[C@H](/C=C/C=C/C=C\[C@H](CCCC(=O)O)O)O | 10.1021/jm00172a020 | ||
5280492 | 2336 | 32 | None | 31 | 2 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 336 | 14 | 3 | 3 | 4.2 | CCCCC/C=C\C[C@H](/C=C/C=C/C=C\[C@H](CCCC(=O)O)O)O | 10.1021/jm00172a020 | ||
CHEMBL65061 | 2336 | 32 | None | 31 | 2 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 336 | 14 | 3 | 3 | 4.2 | CCCCC/C=C\C[C@H](/C=C/C=C/C=C\[C@H](CCCC(=O)O)O)O | 10.1021/jm00172a020 | ||
DB12961 | 2336 | 32 | None | 31 | 2 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 336 | 14 | 3 | 3 | 4.2 | CCCCC/C=C\C[C@H](/C=C/C=C/C=C\[C@H](CCCC(=O)O)O)O | 10.1021/jm00172a020 | ||
11799000 | 16986 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 482 | 9 | 1 | 4 | 5.1 | CN(O)C(=O)c1cc(CC(=O)N(C)CCc2ccccc2)c2cccc(OCc3ccccc3)c2c1 | 10.1021/jm950699x | ||
CHEMBL125611 | 16986 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 482 | 9 | 1 | 4 | 5.1 | CN(O)C(=O)c1cc(CC(=O)N(C)CCc2ccccc2)c2cccc(OCc3ccccc3)c2c1 | 10.1021/jm950699x | ||
10385899 | 27200 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 393 | 9 | 1 | 4 | 5.6 | COc1ccc(-c2cc(OCCCCC(C)(C)C(=O)O)nc3ccccc23)cc1 | 10.1021/jm00101a007 | ||
CHEMBL136805 | 27200 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 393 | 9 | 1 | 4 | 5.6 | COc1ccc(-c2cc(OCCCCC(C)(C)C(=O)O)nc3ccccc23)cc1 | 10.1021/jm00101a007 | ||
9999755 | 26367 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 379 | 9 | 1 | 3 | 5.6 | O=C(O)CCCCCOc1cc(-c2ccccc2F)cc(-c2ccccc2)n1 | 10.1021/jm00101a008 | ||
CHEMBL136094 | 26367 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 379 | 9 | 1 | 3 | 5.6 | O=C(O)CCCCCOc1cc(-c2ccccc2F)cc(-c2ccccc2)n1 | 10.1021/jm00101a008 | ||
44357534 | 26535 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 385 | 9 | 0 | 6 | 4.7 | c1ccc(-c2cc(OCCCCCn3cnnn3)nc(-c3ccccc3)c2)cc1 | 10.1021/jm00101a008 | ||
CHEMBL136243 | 26535 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 385 | 9 | 0 | 6 | 4.7 | c1ccc(-c2cc(OCCCCCn3cnnn3)nc(-c3ccccc3)c2)cc1 | 10.1021/jm00101a008 | ||
10071290 | 27890 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 429 | 9 | 1 | 3 | 6.5 | O=C(O)CCCCCOc1cc(-c2ccc(C(F)(F)F)cc2)cc(-c2ccccc2)n1 | 10.1021/jm00101a008 | ||
CHEMBL137303 | 27890 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 429 | 9 | 1 | 3 | 6.5 | O=C(O)CCCCCOc1cc(-c2ccc(C(F)(F)F)cc2)cc(-c2ccccc2)n1 | 10.1021/jm00101a008 | ||
196905 | 111141 | 8 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 539 | 15 | 2 | 6 | 5.4 | CCCc1c(OCCCOc2ccc(C(=O)NC)c(OC)c2CC2CC2)ccc2c1OC(CCC(=O)O)CC2 | 10.1016/S0960-894X(01)80853-2 | ||
CHEMBL328492 | 111141 | 8 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 539 | 15 | 2 | 6 | 5.4 | CCCc1c(OCCCOc2ccc(C(=O)NC)c(OC)c2CC2CC2)ccc2c1OC(CCC(=O)O)CC2 | 10.1016/S0960-894X(01)80853-2 | ||
11756030 | 58452 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 509 | 13 | 1 | 7 | 5.9 | CCCc1c(OCCCOc2ccc(-c3cocn3)c(OC)c2CCC)ccc2c1OC(C(=O)O)CC2 | 10.1021/jm00006a002 | ||
CHEMBL168658 | 58452 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 509 | 13 | 1 | 7 | 5.9 | CCCc1c(OCCCOc2ccc(-c3cocn3)c(OC)c2CCC)ccc2c1OC(C(=O)O)CC2 | 10.1021/jm00006a002 | ||
14946858 | 28948 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 375 | 9 | 0 | 4 | 5.5 | COC(=O)CCCCCOc1cc(-c2ccccc2)cc(-c2ccccc2)n1 | 10.1021/jm00101a008 | ||
CHEMBL138174 | 28948 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 375 | 9 | 0 | 4 | 5.5 | COC(=O)CCCCCOc1cc(-c2ccccc2)cc(-c2ccccc2)n1 | 10.1021/jm00101a008 | ||
10407251 | 118576 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 377 | 8 | 1 | 3 | 5.9 | Cc1ccc(-c2cc(OCCCCC(C)(C)C(=O)O)nc3ccccc23)cc1 | 10.1021/jm00101a007 | ||
CHEMBL342688 | 118576 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 377 | 8 | 1 | 3 | 5.9 | Cc1ccc(-c2cc(OCCCCC(C)(C)C(=O)O)nc3ccccc23)cc1 | 10.1021/jm00101a007 | ||
15666577 | 9111 | 1 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 330 | 11 | 1 | 2 | 5.5 | O=C(O)CCCCCCc1ccsc1CCCc1ccccc1 | 10.1021/jm00095a011 | ||
CHEMBL110402 | 9111 | 1 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 330 | 11 | 1 | 2 | 5.5 | O=C(O)CCCCCCc1ccsc1CCCc1ccccc1 | 10.1021/jm00095a011 | ||
15666579 | 5551 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 364 | 11 | 1 | 2 | 6.2 | O=C(O)CCCCCCc1ccsc1CCCc1ccc(Cl)cc1 | 10.1021/jm00095a011 | ||
CHEMBL107760 | 5551 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 364 | 11 | 1 | 2 | 6.2 | O=C(O)CCCCCCc1ccsc1CCCc1ccc(Cl)cc1 | 10.1021/jm00095a011 | ||
15666578 | 7822 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 364 | 11 | 1 | 2 | 6.2 | O=C(O)CCCCCCc1csc(CCCc2ccc(Cl)cc2)c1 | 10.1021/jm00095a011 | ||
CHEMBL109015 | 7822 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 364 | 11 | 1 | 2 | 6.2 | O=C(O)CCCCCCc1csc(CCCc2ccc(Cl)cc2)c1 | 10.1021/jm00095a011 | ||
15666603 | 8054 | 1 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 330 | 11 | 1 | 2 | 5.5 | O=C(O)CCCCCCc1sccc1CCCc1ccccc1 | 10.1021/jm00095a011 | ||
CHEMBL109176 | 8054 | 1 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 330 | 11 | 1 | 2 | 5.5 | O=C(O)CCCCCCc1sccc1CCCc1ccccc1 | 10.1021/jm00095a011 | ||
15666621 | 9152 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 406 | 12 | 1 | 2 | 7.2 | O=C(O)CCCCCCc1sc(-c2ccccc2)cc1CCCc1ccccc1 | 10.1021/jm00095a011 | ||
CHEMBL110707 | 9152 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 406 | 12 | 1 | 2 | 7.2 | O=C(O)CCCCCCc1sc(-c2ccccc2)cc1CCCc1ccccc1 | 10.1021/jm00095a011 | ||
44315785 | 14482 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 326 | 11 | 3 | 3 | 4.1 | CCCCCCCCC(O)/C=C/[C@H]1CCC[C@@](O)(CC(=O)O)C1 | 10.1016/0960-894X(96)00424-6 | ||
CHEMBL1205307 | 14482 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 326 | 11 | 3 | 3 | 4.1 | CCCCCCCCC(O)/C=C/[C@H]1CCC[C@@](O)(CC(=O)O)C1 | 10.1016/0960-894X(96)00424-6 | ||
CHEMBL80541 | 14482 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 326 | 11 | 3 | 3 | 4.1 | CCCCCCCCC(O)/C=C/[C@H]1CCC[C@@](O)(CC(=O)O)C1 | 10.1016/0960-894X(96)00424-6 | ||
11741184 | 27951 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 391 | 10 | 1 | 4 | 5.4 | COc1ccc(-c2cc(-c3ccccc3)cc(OCCCCCC(=O)O)n2)cc1 | 10.1021/jm00101a008 | ||
CHEMBL137342 | 27951 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 391 | 10 | 1 | 4 | 5.4 | COc1ccc(-c2cc(-c3ccccc3)cc(OCCCCCC(=O)O)n2)cc1 | 10.1021/jm00101a008 | ||
15666575 | 5117 | 1 | None | - | 0 | Human | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | 316 | 10 | 1 | 2 | 5.1 | O=C(O)CCCCCCc1csc(CCc2ccccc2)c1 | 10.1021/jm00095a011 | ||
CHEMBL106055 | 5117 | 1 | None | - | 0 | Human | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | 316 | 10 | 1 | 2 | 5.1 | O=C(O)CCCCCCc1csc(CCc2ccccc2)c1 | 10.1021/jm00095a011 | ||
15666597 | 109150 | 1 | None | - | 0 | Human | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | 302 | 9 | 1 | 2 | 4.9 | O=C(O)CCCCCCc1csc(Cc2ccccc2)c1 | 10.1021/jm00095a011 | ||
CHEMBL322290 | 109150 | 1 | None | - | 0 | Human | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | 302 | 9 | 1 | 2 | 4.9 | O=C(O)CCCCCCc1csc(Cc2ccccc2)c1 | 10.1021/jm00095a011 | ||
135531245 | 203553 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 398 | 10 | 2 | 7 | 3.8 | CCc1cc(-c2ccnn2C)c(O)cc1OCCCCCC(C)(C)c1nnn[nH]1 | 10.1021/jm00041a021 | ||
CHEMBL78966 | 203553 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 398 | 10 | 2 | 7 | 3.8 | CCc1cc(-c2ccnn2C)c(O)cc1OCCCCCC(C)(C)c1nnn[nH]1 | 10.1021/jm00041a021 | ||
10046878 | 28221 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 405 | 10 | 1 | 4 | 5.7 | COc1ccc(-c2cc(OCCCCC(C)C(=O)O)nc(-c3ccccc3)c2)cc1 | 10.1021/jm00101a008 | ||
CHEMBL137531 | 28221 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 405 | 10 | 1 | 4 | 5.7 | COc1ccc(-c2cc(OCCCCC(C)C(=O)O)nc(-c3ccccc3)c2)cc1 | 10.1021/jm00101a008 | ||
135503765 | 203502 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 396 | 10 | 3 | 5 | 3.8 | CCc1cc(-c2cc[nH]n2)c(O)cc1OCCCOc1cccc(CC(=O)O)c1 | 10.1021/jm00041a021 | ||
CHEMBL78605 | 203502 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 396 | 10 | 3 | 5 | 3.8 | CCc1cc(-c2cc[nH]n2)c(O)cc1OCCCOc1cccc(CC(=O)O)c1 | 10.1021/jm00041a021 | ||
15666618 | 9164 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 344 | 11 | 1 | 2 | 5.7 | CC(CCCCCc1sccc1CCCc1ccccc1)C(=O)O | 10.1021/jm00095a011 | ||
CHEMBL110767 | 9164 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 344 | 11 | 1 | 2 | 5.7 | CC(CCCCCc1sccc1CCCc1ccccc1)C(=O)O | 10.1021/jm00095a011 | ||
10024190 | 25768 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 404 | 10 | 1 | 4 | 5.5 | CN(C)c1ccc(-c2cc(OCCCCCC(=O)O)nc(-c3ccccc3)c2)cc1 | 10.1021/jm00101a008 | ||
CHEMBL135431 | 25768 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 404 | 10 | 1 | 4 | 5.5 | CN(C)c1ccc(-c2cc(OCCCCCC(=O)O)nc(-c3ccccc3)c2)cc1 | 10.1021/jm00101a008 | ||
10052488 | 58742 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 523 | 13 | 1 | 7 | 6.2 | CCCc1c(OCCCOc2ccc(-c3coc(C)n3)c(OC)c2CCC)ccc2c1OC(C(=O)O)CC2 | 10.1021/jm00006a002 | ||
CHEMBL169446 | 58742 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 523 | 13 | 1 | 7 | 6.2 | CCCc1c(OCCCOc2ccc(-c3coc(C)n3)c(OC)c2CCC)ccc2c1OC(C(=O)O)CC2 | 10.1021/jm00006a002 | ||
10069417 | 164356 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 397 | 8 | 1 | 3 | 6.2 | CC(C)(CCCCOc1cc(-c2cccc(Cl)c2)c2ccccc2n1)C(=O)O | 10.1021/jm00101a007 | ||
CHEMBL422282 | 164356 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 397 | 8 | 1 | 3 | 6.2 | CC(C)(CCCCOc1cc(-c2cccc(Cl)c2)c2ccccc2n1)C(=O)O | 10.1021/jm00101a007 | ||
18373405 | 31482 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 525 | 7 | 1 | 3 | 7.3 | COc1cc(C(=O)O)ccc1Cc1cn(C(c2ccccc2)c2ccccc2)c2ccc(Br)cc12 | 10.1016/j.bmcl.2003.08.070 | ||
CHEMBL140539 | 31482 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 525 | 7 | 1 | 3 | 7.3 | COc1cc(C(=O)O)ccc1Cc1cn(C(c2ccccc2)c2ccccc2)c2ccc(Br)cc12 | 10.1016/j.bmcl.2003.08.070 | ||
9985159 | 58814 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 555 | 14 | 1 | 8 | 6.4 | CCCc1c(OCCCOc2ccc(-c3csc(OC)n3)c(OC)c2CCC)ccc2c1OC(C(=O)O)CC2 | 10.1021/jm00006a002 | ||
CHEMBL169835 | 58814 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 555 | 14 | 1 | 8 | 6.4 | CCCc1c(OCCCOc2ccc(-c3csc(OC)n3)c(OC)c2CCC)ccc2c1OC(C(=O)O)CC2 | 10.1021/jm00006a002 | ||
44385218 | 59359 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 343 | 5 | 2 | 2 | 4.7 | O=C(/C=C/c1ccc(-c2ccccc2)cc1)Nc1cccc(C(=O)O)c1 | 10.1016/S0960-894X(97)00134-0 | ||
CHEMBL172201 | 59359 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 343 | 5 | 2 | 2 | 4.7 | O=C(/C=C/c1ccc(-c2ccccc2)cc1)Nc1cccc(C(=O)O)c1 | 10.1016/S0960-894X(97)00134-0 | ||
44385131 | 128977 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 373 | 6 | 2 | 3 | 4.7 | COc1cccc(C(=O)O)c1NC(=O)/C=C/c1ccc(-c2ccccc2)cc1 | 10.1016/S0960-894X(97)00134-0 | ||
CHEMBL367291 | 128977 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 373 | 6 | 2 | 3 | 4.7 | COc1cccc(C(=O)O)c1NC(=O)/C=C/c1ccc(-c2ccccc2)cc1 | 10.1016/S0960-894X(97)00134-0 | ||
6444688 | 186737 | 29 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 502 | 14 | 2 | 5 | 5.9 | COc1ccc(/C=C/CCCCOc2ccc(C(=O)c3cccc(C(=O)O)c3)cc2CCC(=O)O)cc1 | 10.1021/jm00046a017 | ||
CHEMBL49302 | 186737 | 29 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 502 | 14 | 2 | 5 | 5.9 | COc1ccc(/C=C/CCCCOc2ccc(C(=O)c3cccc(C(=O)O)c3)cc2CCC(=O)O)cc1 | 10.1021/jm00046a017 | ||
18963028 | 14453 | 0 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 376 | 11 | 2 | 6 | 4.2 | CCc1cc(OC(C)C)c(O)cc1OCCCCCC(C)(C)c1nn[nH]n1 | 10.1016/S0960-894X(00)80453-9 | ||
CHEMBL1205053 | 14453 | 0 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 376 | 11 | 2 | 6 | 4.2 | CCc1cc(OC(C)C)c(O)cc1OCCCCCC(C)(C)c1nn[nH]n1 | 10.1016/S0960-894X(00)80453-9 | ||
CHEMBL47716 | 14453 | 0 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 376 | 11 | 2 | 6 | 4.2 | CCc1cc(OC(C)C)c(O)cc1OCCCCCC(C)(C)c1nn[nH]n1 | 10.1016/S0960-894X(00)80453-9 | ||
10343923 | 27575 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 453 | 9 | 1 | 5 | 6.1 | CC(CCCCOc1cc(-c2ccc3c(c2)OCO3)cc(-c2ccccc2Cl)n1)C(=O)O | 10.1021/jm00101a008 | ||
CHEMBL137074 | 27575 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 453 | 9 | 1 | 5 | 6.1 | CC(CCCCOc1cc(-c2ccc3c(c2)OCO3)cc(-c2ccccc2Cl)n1)C(=O)O | 10.1021/jm00101a008 | ||
135401173 | 104300 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 396 | 10 | 3 | 5 | 3.8 | CCc1cc(-c2cc[nH]n2)c(O)cc1OCCCOc1ccccc1CC(=O)O | 10.1021/jm00041a021 | ||
CHEMBL310870 | 104300 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 396 | 10 | 3 | 5 | 3.8 | CCc1cc(-c2cc[nH]n2)c(O)cc1OCCCOc1ccccc1CC(=O)O | 10.1021/jm00041a021 | ||
6444688 | 186737 | 29 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 502 | 14 | 2 | 5 | 5.9 | COc1ccc(/C=C/CCCCOc2ccc(C(=O)c3cccc(C(=O)O)c3)cc2CCC(=O)O)cc1 | 10.1021/jm00070a015 | ||
CHEMBL49302 | 186737 | 29 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 502 | 14 | 2 | 5 | 5.9 | COc1ccc(/C=C/CCCCOc2ccc(C(=O)c3cccc(C(=O)O)c3)cc2CCC(=O)O)cc1 | 10.1021/jm00070a015 | ||
10053662 | 59348 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 565 | 15 | 1 | 7 | 7.1 | CCCc1c(OCCCOc2ccc(-c3cscn3)c(OC)c2CC2CC2)ccc2c1OC(CCC(=O)O)CC2 | 10.1021/jm00006a002 | ||
CHEMBL172168 | 59348 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 565 | 15 | 1 | 7 | 7.1 | CCCc1c(OCCCOc2ccc(-c3cscn3)c(OC)c2CC2CC2)ccc2c1OC(CCC(=O)O)CC2 | 10.1021/jm00006a002 | ||
44337707 | 109254 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 434 | 12 | 1 | 2 | 7.8 | CC(C)(CCCCCc1cc(-c2ccccc2)sc1CCCc1ccccc1)C(=O)O | 10.1021/jm00095a011 | ||
CHEMBL322985 | 109254 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 434 | 12 | 1 | 2 | 7.8 | CC(C)(CCCCCc1cc(-c2ccccc2)sc1CCCc1ccccc1)C(=O)O | 10.1021/jm00095a011 | ||
9980059 | 28147 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 429 | 9 | 1 | 3 | 6.5 | O=C(O)CCCCCOc1cc(-c2ccccc2)cc(-c2ccc(C(F)(F)F)cc2)n1 | 10.1021/jm00101a008 | ||
CHEMBL137480 | 28147 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 429 | 9 | 1 | 3 | 6.5 | O=C(O)CCCCCOc1cc(-c2ccccc2)cc(-c2ccc(C(F)(F)F)cc2)n1 | 10.1021/jm00101a008 | ||
44385159 | 61022 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 387 | 6 | 2 | 3 | 5.0 | COc1ccc(C(=O)O)cc1NC(=O)/C=C/c1ccc(-c2ccccc2)c(C)c1 | 10.1016/S0960-894X(97)00134-0 | ||
CHEMBL176747 | 61022 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 387 | 6 | 2 | 3 | 5.0 | COc1ccc(C(=O)O)cc1NC(=O)/C=C/c1ccc(-c2ccccc2)c(C)c1 | 10.1016/S0960-894X(97)00134-0 | ||
6444688 | 186737 | 29 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 502 | 14 | 2 | 5 | 5.9 | COc1ccc(/C=C/CCCCOc2ccc(C(=O)c3cccc(C(=O)O)c3)cc2CCC(=O)O)cc1 | 10.1016/S0960-894X(01)80999-9 | ||
CHEMBL49302 | 186737 | 29 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 502 | 14 | 2 | 5 | 5.9 | COc1ccc(/C=C/CCCCOc2ccc(C(=O)c3cccc(C(=O)O)c3)cc2CCC(=O)O)cc1 | 10.1016/S0960-894X(01)80999-9 | ||
10091738 | 27595 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 389 | 9 | 1 | 3 | 6.0 | Cc1ccc(-c2cc(OCCCCC(C)C(=O)O)nc(-c3ccccc3)c2)cc1 | 10.1021/jm00101a008 | ||
CHEMBL137089 | 27595 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 389 | 9 | 1 | 3 | 6.0 | Cc1ccc(-c2cc(OCCCCC(C)C(=O)O)nc(-c3ccccc3)c2)cc1 | 10.1021/jm00101a008 | ||
6444688 | 186737 | 29 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 502 | 14 | 2 | 5 | 5.9 | COc1ccc(/C=C/CCCCOc2ccc(C(=O)c3cccc(C(=O)O)c3)cc2CCC(=O)O)cc1 | 10.1021/jm00064a006 | ||
CHEMBL49302 | 186737 | 29 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 502 | 14 | 2 | 5 | 5.9 | COc1ccc(/C=C/CCCCOc2ccc(C(=O)c3cccc(C(=O)O)c3)cc2CCC(=O)O)cc1 | 10.1021/jm00064a006 | ||
6444688 | 186737 | 29 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 502 | 14 | 2 | 5 | 5.9 | COc1ccc(/C=C/CCCCOc2ccc(C(=O)c3cccc(C(=O)O)c3)cc2CCC(=O)O)cc1 | 10.1021/jm00172a020 | ||
CHEMBL49302 | 186737 | 29 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 502 | 14 | 2 | 5 | 5.9 | COc1ccc(/C=C/CCCCOc2ccc(C(=O)c3cccc(C(=O)O)c3)cc2CCC(=O)O)cc1 | 10.1021/jm00172a020 | ||
6435820 | 164464 | 6 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 563 | 18 | 2 | 6 | 7.3 | COc1ccc(CCCCCCCCOc2ccc(CSCc3cccc(C(=O)O)c3)nc2/C=C/C(=O)O)cc1 | 10.1021/jm00070a015 | ||
CHEMBL422598 | 164464 | 6 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 563 | 18 | 2 | 6 | 7.3 | COc1ccc(CCCCCCCCOc2ccc(CSCc3cccc(C(=O)O)c3)nc2/C=C/C(=O)O)cc1 | 10.1021/jm00070a015 | ||
204058 | 162907 | 5 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 539 | 15 | 2 | 6 | 5.4 | CCCc1c(OCCCOc2ccc(C(=O)NC)c(OC)c2CC2CC2)ccc2c1O[C@H](CCC(=O)O)CC2 | 10.1016/S0960-894X(01)80853-2 | ||
CHEMBL419948 | 162907 | 5 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 539 | 15 | 2 | 6 | 5.4 | CCCc1c(OCCCOc2ccc(C(=O)NC)c(OC)c2CC2CC2)ccc2c1O[C@H](CCC(=O)O)CC2 | 10.1016/S0960-894X(01)80853-2 | ||
9805394 | 57279 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 485 | 13 | 2 | 6 | 4.3 | CCCc1c(OCCCOc2ccc(C(N)=O)c(OC)c2CCC)ccc2c1OC(C(=O)O)CC2 | 10.1021/jm00006a002 | ||
CHEMBL166699 | 57279 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 485 | 13 | 2 | 6 | 4.3 | CCCc1c(OCCCOc2ccc(C(N)=O)c(OC)c2CCC)ccc2c1OC(C(=O)O)CC2 | 10.1021/jm00006a002 | ||
10385899 | 27200 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 393 | 9 | 1 | 4 | 5.6 | COc1ccc(-c2cc(OCCCCC(C)(C)C(=O)O)nc3ccccc23)cc1 | 10.1021/jm00101a007 | ||
CHEMBL136805 | 27200 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 393 | 9 | 1 | 4 | 5.6 | COc1ccc(-c2cc(OCCCCC(C)(C)C(=O)O)nc3ccccc23)cc1 | 10.1021/jm00101a007 | ||
10474602 | 25774 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 375 | 10 | 1 | 3 | 5.8 | O=C(O)CCCCCCOc1cc(-c2ccccc2)cc(-c2ccccc2)n1 | 10.1021/jm00101a008 | ||
CHEMBL135434 | 25774 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 375 | 10 | 1 | 3 | 5.8 | O=C(O)CCCCCCOc1cc(-c2ccccc2)cc(-c2ccccc2)n1 | 10.1021/jm00101a008 | ||
10069416 | 28173 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 397 | 8 | 1 | 3 | 6.2 | CC(C)(CCCCOc1cc(-c2ccc(Cl)cc2)c2ccccc2n1)C(=O)O | 10.1021/jm00101a007 | ||
CHEMBL137497 | 28173 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 397 | 8 | 1 | 3 | 6.2 | CC(C)(CCCCOc1cc(-c2ccc(Cl)cc2)c2ccccc2n1)C(=O)O | 10.1021/jm00101a007 | ||
10341135 | 29175 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 403 | 10 | 1 | 3 | 6.5 | CC(C)(CCCCCOc1cc(-c2ccccc2)cc(-c2ccccc2)n1)C(=O)O | 10.1021/jm00101a008 | ||
CHEMBL138380 | 29175 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 403 | 10 | 1 | 3 | 6.5 | CC(C)(CCCCCOc1cc(-c2ccccc2)cc(-c2ccccc2)n1)C(=O)O | 10.1021/jm00101a008 | ||
44381856 | 167991 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 509 | 13 | 1 | 7 | 6.1 | CCCc1c(OCCCOc2ccc(-c3cscn3)c(OC)c2CC2CC2)ccc2c1OC2C(=O)O | 10.1021/jm00006a002 | ||
CHEMBL435665 | 167991 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 509 | 13 | 1 | 7 | 6.1 | CCCc1c(OCCCOc2ccc(-c3cscn3)c(OC)c2CC2CC2)ccc2c1OC2C(=O)O | 10.1021/jm00006a002 | ||
9930128 | 60097 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 387 | 6 | 2 | 3 | 5.1 | COc1ccc(C(=O)O)cc1NC(=O)/C=C(\C)c1ccc(-c2ccccc2)cc1 | 10.1016/S0960-894X(97)00134-0 | ||
CHEMBL175073 | 60097 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 387 | 6 | 2 | 3 | 5.1 | COc1ccc(C(=O)O)cc1NC(=O)/C=C(\C)c1ccc(-c2ccccc2)cc1 | 10.1016/S0960-894X(97)00134-0 | ||
11726048 | 27391 | 1 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 360 | 9 | 1 | 3 | 4.8 | NC(=O)CCCCCOc1cc(-c2ccccc2)cc(-c2ccccc2)n1 | 10.1021/jm00101a008 | ||
CHEMBL136953 | 27391 | 1 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 360 | 9 | 1 | 3 | 4.8 | NC(=O)CCCCCOc1cc(-c2ccccc2)cc(-c2ccccc2)n1 | 10.1021/jm00101a008 | ||
10071290 | 27890 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 429 | 9 | 1 | 3 | 6.5 | O=C(O)CCCCCOc1cc(-c2ccc(C(F)(F)F)cc2)cc(-c2ccccc2)n1 | 10.1021/jm00101a008 | ||
CHEMBL137303 | 27890 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 429 | 9 | 1 | 3 | 6.5 | O=C(O)CCCCCOc1cc(-c2ccc(C(F)(F)F)cc2)cc(-c2ccccc2)n1 | 10.1021/jm00101a008 | ||
10318241 | 28136 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 390 | 10 | 2 | 4 | 5.5 | CNc1ccc(-c2cc(OCCCCCC(=O)O)nc(-c3ccccc3)c2)cc1 | 10.1021/jm00101a008 | ||
CHEMBL137472 | 28136 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 390 | 10 | 2 | 4 | 5.5 | CNc1ccc(-c2cc(OCCCCCC(=O)O)nc(-c3ccccc3)c2)cc1 | 10.1021/jm00101a008 | ||
10250881 | 24866 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 408 | 9 | 1 | 5 | 5.5 | CC(C)(CCCCOc1cc(-c2ccc([N+](=O)[O-])cc2)c2ccccc2n1)C(=O)O | 10.1021/jm00101a007 | ||
CHEMBL134698 | 24866 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 408 | 9 | 1 | 5 | 5.5 | CC(C)(CCCCOc1cc(-c2ccc([N+](=O)[O-])cc2)c2ccccc2n1)C(=O)O | 10.1021/jm00101a007 | ||
10390056 | 116049 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 472 | 10 | 2 | 4 | 5.9 | O=C(O)CCCCCOc1cc(-c2ccc(NC(=O)C(F)(F)F)cc2)cc(-c2ccccc2)n1 | 10.1021/jm00101a008 | ||
CHEMBL336303 | 116049 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 472 | 10 | 2 | 4 | 5.9 | O=C(O)CCCCCOc1cc(-c2ccc(NC(=O)C(F)(F)F)cc2)cc(-c2ccccc2)n1 | 10.1021/jm00101a008 | ||
10451768 | 27688 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 369 | 8 | 1 | 3 | 5.6 | O=C(O)CCCCCOc1cc(-c2ccc(Cl)cc2)c2ccccc2n1 | 10.1021/jm00101a007 | ||
CHEMBL137168 | 27688 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 369 | 8 | 1 | 3 | 5.6 | O=C(O)CCCCCOc1cc(-c2ccc(Cl)cc2)c2ccccc2n1 | 10.1021/jm00101a007 | ||
15666613 | 9153 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 344 | 11 | 1 | 2 | 5.8 | Cc1cc(CCCc2ccccc2)c(CCCCCCC(=O)O)s1 | 10.1021/jm00095a011 | ||
CHEMBL110708 | 9153 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 344 | 11 | 1 | 2 | 5.8 | Cc1cc(CCCc2ccccc2)c(CCCCCCC(=O)O)s1 | 10.1021/jm00095a011 | ||
44385199 | 59331 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 375 | 7 | 2 | 3 | 4.6 | COc1ccc(C(=O)O)cc1NC(=O)CCc1ccc(-c2ccccc2)cc1 | 10.1016/S0960-894X(97)00134-0 | ||
CHEMBL172091 | 59331 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 375 | 7 | 2 | 3 | 4.6 | COc1ccc(C(=O)O)cc1NC(=O)CCc1ccc(-c2ccccc2)cc1 | 10.1016/S0960-894X(97)00134-0 | ||
20704716 | 184142 | 0 | None | - | 1 | Human | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 488 | 5 | 1 | 9 | 2.4 | CN1C(=N)N(C)/C(=N/c2nc(Cc3ccc4c(c3)OCO4)c(Cc3ccc4c(c3)OCO4)n2C)C1=O | 10.1021/np50100a005 | ||
CHEMBL485054 | 184142 | 0 | None | - | 1 | Human | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 488 | 5 | 1 | 9 | 2.4 | CN1C(=N)N(C)/C(=N/c2nc(Cc3ccc4c(c3)OCO4)c(Cc3ccc4c(c3)OCO4)n2C)C1=O | 10.1021/np50100a005 | ||
11549986 | 155666 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 1542 | 48 | 11 | 26 | 1.8 | CC(C)(CCCCOc1cc(-c2ccccc2)cc(-c2ccccc2)n1)c1nnnn1CCCCC(=O)NCCCOCCOCCOCCCNC(=O)[C@H](CS(=O)(=O)O)NC(=O)[C@H](CS(=O)(=O)O)NC(=O)[C@H](CS(=O)(=O)O)NC(=O)[C@H](CS(=O)(=O)O)NC(=O)c1ccc(N/N=C/c2ccccc2)nc1 | 10.1021/jm050383h | ||
CHEMBL406432 | 155666 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 1542 | 48 | 11 | 26 | 1.8 | CC(C)(CCCCOc1cc(-c2ccccc2)cc(-c2ccccc2)n1)c1nnnn1CCCCC(=O)NCCCOCCOCCOCCCNC(=O)[C@H](CS(=O)(=O)O)NC(=O)[C@H](CS(=O)(=O)O)NC(=O)[C@H](CS(=O)(=O)O)NC(=O)[C@H](CS(=O)(=O)O)NC(=O)c1ccc(N/N=C/c2ccccc2)nc1 | 10.1021/jm050383h | ||
44386172 | 165237 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 397 | 6 | 2 | 5 | 4.2 | COc1ccc(-c2nn[nH]n2)cc1NC(=O)/C=C/c1ccc(-c2ccccc2)cc1 | 10.1016/S0960-894X(97)00134-0 | ||
CHEMBL424779 | 165237 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 397 | 6 | 2 | 5 | 4.2 | COc1ccc(-c2nn[nH]n2)cc1NC(=O)/C=C/c1ccc(-c2ccccc2)cc1 | 10.1016/S0960-894X(97)00134-0 | ||
11726048 | 27391 | 1 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 360 | 9 | 1 | 3 | 4.8 | NC(=O)CCCCCOc1cc(-c2ccccc2)cc(-c2ccccc2)n1 | 10.1021/jm00101a008 | ||
CHEMBL136953 | 27391 | 1 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 360 | 9 | 1 | 3 | 4.8 | NC(=O)CCCCCOc1cc(-c2ccccc2)cc(-c2ccccc2)n1 | 10.1021/jm00101a008 | ||
44359651 | 118678 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 481 | 7 | 1 | 3 | 7.2 | COc1cc(C(=O)O)ccc1Cc1cn(C(c2ccccc2)c2ccccc2)c2ccc(Cl)cc12 | 10.1016/j.bmcl.2003.08.070 | ||
CHEMBL343124 | 118678 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 481 | 7 | 1 | 3 | 7.2 | COc1cc(C(=O)O)ccc1Cc1cn(C(c2ccccc2)c2ccccc2)c2ccc(Cl)cc12 | 10.1016/j.bmcl.2003.08.070 | ||
6441619 | 205055 | 13 | None | - | 1 | Human | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 459 | 9 | 1 | 4 | 6.4 | O=C(O)/C=C/c1nc(CSc2c(Cl)cccc2Cl)ccc1OCCc1ccccc1 | 10.1021/jm960248s | ||
CHEMBL90214 | 205055 | 13 | None | - | 1 | Human | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 459 | 9 | 1 | 4 | 6.4 | O=C(O)/C=C/c1nc(CSc2c(Cl)cccc2Cl)ccc1OCCc1ccccc1 | 10.1021/jm960248s | ||
15718079 | 100967 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 468 | 14 | 2 | 5 | 6.2 | CCCCCCCCCCOc1cc2oc3c(C(=O)O)cccc3c(=O)c2cc1CCC(=O)O | 10.1021/jm00064a006 | ||
CHEMBL297501 | 100967 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 468 | 14 | 2 | 5 | 6.2 | CCCCCCCCCCOc1cc2oc3c(C(=O)O)cccc3c(=O)c2cc1CCC(=O)O | 10.1021/jm00064a006 | ||
10430674 | 118833 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 393 | 9 | 1 | 3 | 5.8 | CC(CCCCOc1cc(-c2ccccc2)cc(-c2ccccc2F)n1)C(=O)O | 10.1021/jm00101a008 | ||
CHEMBL344230 | 118833 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 393 | 9 | 1 | 3 | 5.8 | CC(CCCCOc1cc(-c2ccccc2)cc(-c2ccccc2F)n1)C(=O)O | 10.1021/jm00101a008 | ||
10315808 | 26743 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 349 | 9 | 1 | 3 | 5.3 | O=C(O)CCCCCCOc1cc(-c2ccccc2)c2ccccc2n1 | 10.1021/jm00101a007 | ||
CHEMBL136433 | 26743 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 349 | 9 | 1 | 3 | 5.3 | O=C(O)CCCCCCOc1cc(-c2ccccc2)c2ccccc2n1 | 10.1021/jm00101a007 | ||
10248148 | 115495 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 363 | 8 | 1 | 3 | 5.6 | CC(C)(CCCCOc1cc(-c2ccccc2)c2ccccc2n1)C(=O)O | 10.1021/jm00101a007 | ||
CHEMBL335525 | 115495 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 363 | 8 | 1 | 3 | 5.6 | CC(C)(CCCCOc1cc(-c2ccccc2)c2ccccc2n1)C(=O)O | 10.1021/jm00101a007 | ||
15839736 | 14471 | 0 | None | - | 1 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 476 | 9 | 2 | 7 | 5.0 | CCc1cc(C(C)=O)c(O)cc1OCCCOc1ccc2c(=O)c3cc(C(=O)O)ccc3oc2c1 | 10.1016/S0960-894X(01)80999-9 | ||
CHEMBL1205143 | 14471 | 0 | None | - | 1 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 476 | 9 | 2 | 7 | 5.0 | CCc1cc(C(C)=O)c(O)cc1OCCCOc1ccc2c(=O)c3cc(C(=O)O)ccc3oc2c1 | 10.1016/S0960-894X(01)80999-9 | ||
CHEMBL58534 | 14471 | 0 | None | - | 1 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 476 | 9 | 2 | 7 | 5.0 | CCc1cc(C(C)=O)c(O)cc1OCCCOc1ccc2c(=O)c3cc(C(=O)O)ccc3oc2c1 | 10.1016/S0960-894X(01)80999-9 | ||
44385258 | 60049 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 387 | 7 | 2 | 3 | 5.1 | CCOc1ccc(C(=O)O)cc1NC(=O)/C=C/c1ccc(-c2ccccc2)cc1 | 10.1016/S0960-894X(97)00134-0 | ||
CHEMBL174638 | 60049 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 387 | 7 | 2 | 3 | 5.1 | CCOc1ccc(C(=O)O)cc1NC(=O)/C=C/c1ccc(-c2ccccc2)cc1 | 10.1016/S0960-894X(97)00134-0 | ||
6444688 | 186737 | 29 | None | - | 1 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 502 | 14 | 2 | 5 | 5.9 | COc1ccc(/C=C/CCCCOc2ccc(C(=O)c3cccc(C(=O)O)c3)cc2CCC(=O)O)cc1 | 10.1021/jm00101a007 | ||
CHEMBL49302 | 186737 | 29 | None | - | 1 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 502 | 14 | 2 | 5 | 5.9 | COc1ccc(/C=C/CCCCOc2ccc(C(=O)c3cccc(C(=O)O)c3)cc2CCC(=O)O)cc1 | 10.1021/jm00101a007 | ||
10022413 | 27451 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 376 | 9 | 2 | 4 | 5.0 | Nc1ccc(-c2cc(OCCCCCC(=O)O)nc(-c3ccccc3)c2)cc1 | 10.1021/jm00101a008 | ||
CHEMBL136991 | 27451 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 376 | 9 | 2 | 4 | 5.0 | Nc1ccc(-c2cc(OCCCCCC(=O)O)nc(-c3ccccc3)c2)cc1 | 10.1021/jm00101a008 | ||
10343923 | 27575 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 453 | 9 | 1 | 5 | 6.1 | CC(CCCCOc1cc(-c2ccc3c(c2)OCO3)cc(-c2ccccc2Cl)n1)C(=O)O | 10.1021/jm00101a008 | ||
CHEMBL137074 | 27575 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 453 | 9 | 1 | 5 | 6.1 | CC(CCCCOc1cc(-c2ccc3c(c2)OCO3)cc(-c2ccccc2Cl)n1)C(=O)O | 10.1021/jm00101a008 | ||
10341242 | 27942 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 405 | 10 | 1 | 4 | 5.7 | COc1cccc(-c2cc(OCCCCC(C)C(=O)O)nc(-c3ccccc3)c2)c1 | 10.1021/jm00101a008 | ||
CHEMBL137336 | 27942 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 405 | 10 | 1 | 4 | 5.7 | COc1cccc(-c2cc(OCCCCC(C)C(=O)O)nc(-c3ccccc3)c2)c1 | 10.1021/jm00101a008 | ||
6444688 | 186737 | 29 | None | - | 1 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 502 | 14 | 2 | 5 | 5.9 | COc1ccc(/C=C/CCCCOc2ccc(C(=O)c3cccc(C(=O)O)c3)cc2CCC(=O)O)cc1 | 10.1021/jm00101a008 | ||
CHEMBL49302 | 186737 | 29 | None | - | 1 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 502 | 14 | 2 | 5 | 5.9 | COc1ccc(/C=C/CCCCOc2ccc(C(=O)c3cccc(C(=O)O)c3)cc2CCC(=O)O)cc1 | 10.1021/jm00101a008 | ||
9805394 | 57279 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 485 | 13 | 2 | 6 | 4.3 | CCCc1c(OCCCOc2ccc(C(N)=O)c(OC)c2CCC)ccc2c1OC(C(=O)O)CC2 | 10.1016/S0960-894X(01)80853-2 | ||
CHEMBL166699 | 57279 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 485 | 13 | 2 | 6 | 4.3 | CCCc1c(OCCCOc2ccc(C(N)=O)c(OC)c2CCC)ccc2c1OC(C(=O)O)CC2 | 10.1016/S0960-894X(01)80853-2 | ||
18963032 | 100623 | 0 | None | - | 1 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 444 | 11 | 2 | 6 | 4.5 | CCCc1c(OCCCOc2cc(O)c(OC)cc2CC)ccc2c1OC(C(=O)O)CC2 | 10.1016/S0960-894X(00)80454-0 | ||
CHEMBL294987 | 100623 | 0 | None | - | 1 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 444 | 11 | 2 | 6 | 4.5 | CCCc1c(OCCCOc2cc(O)c(OC)cc2CC)ccc2c1OC(C(=O)O)CC2 | 10.1016/S0960-894X(00)80454-0 | ||
114999 | 3482 | 15 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 484 | 13 | 1 | 6 | 5.4 | CCCc1c(OCCCOc2ccc(c(c2CCC)OC)C(=O)C)ccc2c1OC(CC2)C(=O)O | 10.1021/jm960088k | ||
6156 | 3482 | 15 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 484 | 13 | 1 | 6 | 5.4 | CCCc1c(OCCCOc2ccc(c(c2CCC)OC)C(=O)C)ccc2c1OC(CC2)C(=O)O | 10.1021/jm960088k | ||
CHEMBL14823 | 3482 | 15 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 484 | 13 | 1 | 6 | 5.4 | CCCc1c(OCCCOc2ccc(c(c2CCC)OC)C(=O)C)ccc2c1OC(CC2)C(=O)O | 10.1021/jm960088k | ||
10477988 | 27932 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 433 | 9 | 1 | 5 | 5.8 | CC(C)(CCCCOc1cc(-c2ccc3c(c2)OCO3)cc(-c2ccccc2)n1)C(=O)O | 10.1021/jm00101a008 | ||
CHEMBL137330 | 27932 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 433 | 9 | 1 | 5 | 5.8 | CC(C)(CCCCOc1cc(-c2ccc3c(c2)OCO3)cc(-c2ccccc2)n1)C(=O)O | 10.1021/jm00101a008 | ||
44357546 | 116253 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 399 | 9 | 0 | 6 | 5.2 | CC(CCCCOc1cc(-c2ccccc2)cc(-c2ccccc2)n1)n1cnnn1 | 10.1021/jm00101a008 | ||
CHEMBL337563 | 116253 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 399 | 9 | 0 | 6 | 5.2 | CC(CCCCOc1cc(-c2ccccc2)cc(-c2ccccc2)n1)n1cnnn1 | 10.1021/jm00101a008 | ||
178581 | 139724 | 1 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 413 | 9 | 1 | 5 | 5.5 | CC(C)(CCCCOc1cc(-c2ccccc2)cc(-c2ccccc2)n1)c1nnn[nH]1 | 10.1021/jm050383h | ||
CHEMBL380555 | 139724 | 1 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 413 | 9 | 1 | 5 | 5.5 | CC(C)(CCCCOc1cc(-c2ccccc2)cc(-c2ccccc2)n1)c1nnn[nH]1 | 10.1021/jm050383h | ||
15666615 | 9087 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 372 | 11 | 1 | 2 | 6.4 | Cc1cc(CCCc2ccccc2)c(CCCCCC(C)(C)C(=O)O)s1 | 10.1021/jm00095a011 | ||
CHEMBL110243 | 9087 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 372 | 11 | 1 | 2 | 6.4 | Cc1cc(CCCc2ccccc2)c(CCCCCC(C)(C)C(=O)O)s1 | 10.1021/jm00095a011 | ||
10386030 | 118766 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 395 | 9 | 1 | 3 | 6.1 | O=C(O)CCCCCOc1cc(-c2ccccc2Cl)cc(-c2ccccc2)n1 | 10.1021/jm00101a008 | ||
CHEMBL343710 | 118766 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 395 | 9 | 1 | 3 | 6.1 | O=C(O)CCCCCOc1cc(-c2ccccc2Cl)cc(-c2ccccc2)n1 | 10.1021/jm00101a008 | ||
44379592 | 56863 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 387 | 10 | 3 | 4 | 4.7 | [N-]=[N+]=Nc1ccc(CCCCC(O)/C=C/C2CCCC(O)(CC(=O)O)C2)cc1 | 10.1016/s0960-894x(00)00103-7 | ||
CHEMBL164721 | 56863 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 387 | 10 | 3 | 4 | 4.7 | [N-]=[N+]=Nc1ccc(CCCCC(O)/C=C/C2CCCC(O)(CC(=O)O)C2)cc1 | 10.1016/s0960-894x(00)00103-7 | ||
44379573 | 57794 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 414 | 10 | 2 | 4 | 4.7 | CN(C)C(=O)CC1(O)CCCC(/C=C/C(O)CCCCc2ccc(N=[N+]=[N-])cc2)C1 | 10.1016/s0960-894x(00)00103-7 | ||
CHEMBL167465 | 57794 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 414 | 10 | 2 | 4 | 4.7 | CN(C)C(=O)CC1(O)CCCC(/C=C/C(O)CCCCc2ccc(N=[N+]=[N-])cc2)C1 | 10.1016/s0960-894x(00)00103-7 | ||
10021622 | 28388 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 363 | 10 | 1 | 3 | 5.7 | O=C(O)CCCCCCCOc1cc(-c2ccccc2)c2ccccc2n1 | 10.1021/jm00101a007 | ||
CHEMBL137676 | 28388 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 363 | 10 | 1 | 3 | 5.7 | O=C(O)CCCCCCCOc1cc(-c2ccccc2)c2ccccc2n1 | 10.1021/jm00101a007 | ||
10430946 | 114993 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 397 | 8 | 1 | 3 | 6.2 | CC(C)(CCCCOc1cc(-c2ccccc2)c2ccc(Cl)cc2n1)C(=O)O | 10.1021/jm00101a007 | ||
CHEMBL335142 | 114993 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 397 | 8 | 1 | 3 | 6.2 | CC(C)(CCCCOc1cc(-c2ccccc2)c2ccc(Cl)cc2n1)C(=O)O | 10.1021/jm00101a007 | ||
15718082 | 186590 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 468 | 14 | 2 | 5 | 6.2 | CCCCCCCCCCOc1ccc2c(=O)c3cccc(C(=O)O)c3oc2c1CCC(=O)O | 10.1021/jm00064a006 | ||
CHEMBL49209 | 186590 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 468 | 14 | 2 | 5 | 6.2 | CCCCCCCCCCOc1ccc2c(=O)c3cccc(C(=O)O)c3oc2c1CCC(=O)O | 10.1021/jm00064a006 | ||
195214 | 183257 | 14 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 454 | 16 | 2 | 4 | 6.2 | CCCCCCCCCCOc1ccc(C(=O)c2cccc(C(=O)O)c2)cc1CCC(=O)O | 10.1021/jm00064a006 | ||
CHEMBL48068 | 183257 | 14 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 454 | 16 | 2 | 4 | 6.2 | CCCCCCCCCCOc1ccc(C(=O)c2cccc(C(=O)O)c2)cc1CCC(=O)O | 10.1021/jm00064a006 | ||
443292 | 4956 | 11 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 299 | 3 | 2 | 5 | 3.6 | CNc1nc2c(Cc3cccnc3)c(C)c(O)c(C)c2s1 | 10.1021/jm00045a011 | ||
CHEMBL105139 | 4956 | 11 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 299 | 3 | 2 | 5 | 3.6 | CNc1nc2c(Cc3cccnc3)c(C)c(O)c(C)c2s1 | 10.1021/jm00045a011 | ||
9934500 | 165049 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 472 | 7 | 1 | 4 | 6.4 | COc1cc(C(=O)O)ccc1Cc1cn(C(c2ccccc2)c2ccccc2)c2ccc(C#N)cc12 | 10.1016/j.bmcl.2003.08.070 | ||
CHEMBL424290 | 165049 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 472 | 7 | 1 | 4 | 6.4 | COc1cc(C(=O)O)ccc1Cc1cn(C(c2ccccc2)c2ccccc2)c2ccc(C#N)cc12 | 10.1016/j.bmcl.2003.08.070 | ||
10319829 | 25913 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 417 | 11 | 1 | 3 | 6.9 | CC(C)(CCCCCCOc1cc(-c2ccccc2)cc(-c2ccccc2)n1)C(=O)O | 10.1021/jm00101a008 | ||
CHEMBL135612 | 25913 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 417 | 11 | 1 | 3 | 6.9 | CC(C)(CCCCCCOc1cc(-c2ccccc2)cc(-c2ccccc2)n1)C(=O)O | 10.1021/jm00101a008 | ||
10387303 | 27393 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 418 | 11 | 2 | 4 | 6.3 | CC(C)Nc1ccc(-c2cc(OCCCCCC(=O)O)nc(-c3ccccc3)c2)cc1 | 10.1021/jm00101a008 | ||
CHEMBL136955 | 27393 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 418 | 11 | 2 | 4 | 6.3 | CC(C)Nc1ccc(-c2cc(OCCCCCC(=O)O)nc(-c3ccccc3)c2)cc1 | 10.1021/jm00101a008 | ||
15839732 | 45431 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 444 | 13 | 2 | 6 | 4.8 | CCCc1c(OCCCOc2cc(O)c(C(C)=O)cc2CC)cccc1OC(C)C(=O)O | 10.1016/S0960-894X(00)80304-2 | ||
CHEMBL15299 | 45431 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 444 | 13 | 2 | 6 | 4.8 | CCCc1c(OCCCOc2cc(O)c(C(C)=O)cc2CC)cccc1OC(C)C(=O)O | 10.1016/S0960-894X(00)80304-2 | ||
44404447 | 168193 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 2973 | 97 | 22 | 50 | 0.7 | CC(C)(CCCCOc1cc(-c2ccccc2)cc(-c2ccccc2)n1)c1nnnn1CCCCC(=O)NCCCOCCOCCOCCCNC(=O)[C@H](CS(=O)(=O)O)NC(=O)[C@H](CS(=O)(=O)O)NC(=O)[C@H](CS(=O)(=O)O)NC(=O)[C@H](CS(=O)(=O)O)NC(=O)CC[C@H](NC(=O)c1ccc(N/N=C/c2ccccc2)nc1)C(=O)N[C@@H](CS(=O)(=O)O)C(=O)N[C@@H](CS(=O)(=O)O)C(=O)N[C@@H](CS(=O)(=O)O)C(=O)N[C@@H](CS(=O)(=O)O)C(=O)NCCCOCCOCCOCCCNC(=O)CCCCn1nnnc1C(C)(C)CCCCOc1cc(-c2ccccc2)cc(-c2ccccc2)n1 | 10.1021/jm050383h | ||
CHEMBL437275 | 168193 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 2973 | 97 | 22 | 50 | 0.7 | CC(C)(CCCCOc1cc(-c2ccccc2)cc(-c2ccccc2)n1)c1nnnn1CCCCC(=O)NCCCOCCOCCOCCCNC(=O)[C@H](CS(=O)(=O)O)NC(=O)[C@H](CS(=O)(=O)O)NC(=O)[C@H](CS(=O)(=O)O)NC(=O)[C@H](CS(=O)(=O)O)NC(=O)CC[C@H](NC(=O)c1ccc(N/N=C/c2ccccc2)nc1)C(=O)N[C@@H](CS(=O)(=O)O)C(=O)N[C@@H](CS(=O)(=O)O)C(=O)N[C@@H](CS(=O)(=O)O)C(=O)N[C@@H](CS(=O)(=O)O)C(=O)NCCCOCCOCCOCCCNC(=O)CCCCn1nnnc1C(C)(C)CCCCOc1cc(-c2ccccc2)cc(-c2ccccc2)n1 | 10.1021/jm050383h | ||
10007005 | 120280 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 523 | 13 | 1 | 7 | 6.1 | C=CCc1c(OCCCOc2ccc3c(c2CCC)OC(C(=O)O)CC3)ccc(-c2cscn2)c1OC | 10.1021/jm00006a002 | ||
CHEMBL355503 | 120280 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 523 | 13 | 1 | 7 | 6.1 | C=CCc1c(OCCCOc2ccc3c(c2CCC)OC(C(=O)O)CC3)ccc(-c2cscn2)c1OC | 10.1021/jm00006a002 | ||
10474602 | 25774 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 375 | 10 | 1 | 3 | 5.8 | O=C(O)CCCCCCOc1cc(-c2ccccc2)cc(-c2ccccc2)n1 | 10.1021/jm00101a008 | ||
CHEMBL135434 | 25774 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 375 | 10 | 1 | 3 | 5.8 | O=C(O)CCCCCCOc1cc(-c2ccccc2)cc(-c2ccccc2)n1 | 10.1021/jm00101a008 | ||
9999718 | 24862 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 378 | 8 | 2 | 4 | 5.1 | CC(C)(CCCCOc1cc(-c2ccc(N)cc2)c2ccccc2n1)C(=O)O | 10.1021/jm00101a007 | ||
CHEMBL134697 | 24862 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 378 | 8 | 2 | 4 | 5.1 | CC(C)(CCCCOc1cc(-c2ccc(N)cc2)c2ccccc2n1)C(=O)O | 10.1021/jm00101a007 | ||
10046386 | 28363 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 397 | 8 | 1 | 3 | 6.2 | CC(C)(CCCCOc1cc(-c2ccccc2)c2cc(Cl)ccc2n1)C(=O)O | 10.1021/jm00101a007 | ||
CHEMBL137654 | 28363 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 397 | 8 | 1 | 3 | 6.2 | CC(C)(CCCCOc1cc(-c2ccccc2)c2cc(Cl)ccc2n1)C(=O)O | 10.1021/jm00101a007 | ||
10482767 | 168047 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 553 | 15 | 1 | 7 | 7.1 | CCCc1c(OCCCOc2ccc(-c3cscn3)c(OC)c2CCC)ccc2c1OC(CCC(=O)O)CC2 | 10.1021/jm00006a002 | ||
CHEMBL436047 | 168047 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 553 | 15 | 1 | 7 | 7.1 | CCCc1c(OCCCOc2ccc(-c3cscn3)c(OC)c2CCC)ccc2c1OC(CCC(=O)O)CC2 | 10.1021/jm00006a002 | ||
44384958 | 59566 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 387 | 6 | 2 | 3 | 5.0 | COc1ccc(C(=O)O)cc1NC(=O)/C=C/c1ccc(-c2ccc(C)cc2)cc1 | 10.1016/S0960-894X(97)00134-0 | ||
CHEMBL172974 | 59566 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 387 | 6 | 2 | 3 | 5.0 | COc1ccc(C(=O)O)cc1NC(=O)/C=C/c1ccc(-c2ccc(C)cc2)cc1 | 10.1016/S0960-894X(97)00134-0 | ||
135507252 | 203885 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 438 | 13 | 3 | 5 | 5.0 | CCc1cc(-c2cc[nH]n2)c(O)cc1OCCCCCOc1ccc(CCC(=O)O)cc1 | 10.1021/jm00041a021 | ||
CHEMBL81503 | 203885 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 438 | 13 | 3 | 5 | 5.0 | CCc1cc(-c2cc[nH]n2)c(O)cc1OCCCCCOc1ccc(CCC(=O)O)cc1 | 10.1021/jm00041a021 | ||
10483151 | 59259 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 571 | 14 | 1 | 8 | 7.1 | CCCc1c(OCCCOc2ccc(-c3csc(SC)n3)c(OC)c2CCC)ccc2c1OC(C(=O)O)CC2 | 10.1021/jm00006a002 | ||
CHEMBL171780 | 59259 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 571 | 14 | 1 | 8 | 7.1 | CCCc1c(OCCCOc2ccc(-c3csc(SC)n3)c(OC)c2CCC)ccc2c1OC(C(=O)O)CC2 | 10.1021/jm00006a002 | ||
18373300 | 118820 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 492 | 8 | 1 | 5 | 6.5 | COc1cc(C(=O)O)ccc1Cc1cn(C(c2ccccc2)c2ccccc2)c2ccc([N+](=O)[O-])cc12 | 10.1016/j.bmcl.2003.08.070 | ||
CHEMBL344176 | 118820 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 492 | 8 | 1 | 5 | 6.5 | COc1cc(C(=O)O)ccc1Cc1cn(C(c2ccccc2)c2ccccc2)c2ccc([N+](=O)[O-])cc12 | 10.1016/j.bmcl.2003.08.070 | ||
10406292 | 28184 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 361 | 9 | 1 | 3 | 5.4 | O=C(O)CCCCCOc1cc(-c2ccccc2)cc(-c2ccccc2)n1 | 10.1021/jm00101a008 | ||
CHEMBL137504 | 28184 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 361 | 9 | 1 | 3 | 5.4 | O=C(O)CCCCCOc1cc(-c2ccccc2)cc(-c2ccccc2)n1 | 10.1021/jm00101a008 | ||
204055 | 206570 | 5 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 537 | 13 | 1 | 7 | 6.4 | CCCc1c(OCCCOc2ccc(-c3cscn3)c(OC)c2CC2CC2)ccc2c1OC(C(=O)O)CC2 | 10.1021/jm00006a002 | ||
CHEMBL99099 | 206570 | 5 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 537 | 13 | 1 | 7 | 6.4 | CCCc1c(OCCCOc2ccc(-c3cscn3)c(OC)c2CC2CC2)ccc2c1OC(C(=O)O)CC2 | 10.1021/jm00006a002 | ||
6444688 | 186737 | 29 | None | - | 1 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 502 | 14 | 2 | 5 | 5.9 | COc1ccc(/C=C/CCCCOc2ccc(C(=O)c3cccc(C(=O)O)c3)cc2CCC(=O)O)cc1 | 10.1021/jm00101a008 | ||
CHEMBL49302 | 186737 | 29 | None | - | 1 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 502 | 14 | 2 | 5 | 5.9 | COc1ccc(/C=C/CCCCOc2ccc(C(=O)c3cccc(C(=O)O)c3)cc2CCC(=O)O)cc1 | 10.1021/jm00101a008 | ||
6444688 | 186737 | 29 | None | - | 1 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 502 | 14 | 2 | 5 | 5.9 | COc1ccc(/C=C/CCCCOc2ccc(C(=O)c3cccc(C(=O)O)c3)cc2CCC(=O)O)cc1 | 10.1021/jm00101a007 | ||
CHEMBL49302 | 186737 | 29 | None | - | 1 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 502 | 14 | 2 | 5 | 5.9 | COc1ccc(/C=C/CCCCOc2ccc(C(=O)c3cccc(C(=O)O)c3)cc2CCC(=O)O)cc1 | 10.1021/jm00101a007 | ||
10023244 | 25957 | 1 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 389 | 9 | 1 | 3 | 6.1 | CC(C)(CCCCOc1cc(-c2ccccc2)cc(-c2ccccc2)n1)C(=O)O | 10.1021/jm00101a008 | ||
CHEMBL135671 | 25957 | 1 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 389 | 9 | 1 | 3 | 6.1 | CC(C)(CCCCOc1cc(-c2ccccc2)cc(-c2ccccc2)n1)C(=O)O | 10.1021/jm00101a008 | ||
9999755 | 26367 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 379 | 9 | 1 | 3 | 5.6 | O=C(O)CCCCCOc1cc(-c2ccccc2F)cc(-c2ccccc2)n1 | 10.1021/jm00101a008 | ||
CHEMBL136094 | 26367 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 379 | 9 | 1 | 3 | 5.6 | O=C(O)CCCCCOc1cc(-c2ccccc2F)cc(-c2ccccc2)n1 | 10.1021/jm00101a008 | ||
10091738 | 27595 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 389 | 9 | 1 | 3 | 6.0 | Cc1ccc(-c2cc(OCCCCC(C)C(=O)O)nc(-c3ccccc3)c2)cc1 | 10.1021/jm00101a008 | ||
CHEMBL137089 | 27595 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 389 | 9 | 1 | 3 | 6.0 | Cc1ccc(-c2cc(OCCCCC(C)C(=O)O)nc(-c3ccccc3)c2)cc1 | 10.1021/jm00101a008 | ||
10475503 | 27799 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 390 | 9 | 2 | 4 | 5.3 | CC(CCCCOc1cc(-c2ccc(N)cc2)cc(-c2ccccc2)n1)C(=O)O | 10.1021/jm00101a008 | ||
CHEMBL137247 | 27799 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 390 | 9 | 2 | 4 | 5.3 | CC(CCCCOc1cc(-c2ccc(N)cc2)cc(-c2ccccc2)n1)C(=O)O | 10.1021/jm00101a008 | ||
10406292 | 28184 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 361 | 9 | 1 | 3 | 5.4 | O=C(O)CCCCCOc1cc(-c2ccccc2)cc(-c2ccccc2)n1 | 10.1021/jm00101a008 | ||
CHEMBL137504 | 28184 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 361 | 9 | 1 | 3 | 5.4 | O=C(O)CCCCCOc1cc(-c2ccccc2)cc(-c2ccccc2)n1 | 10.1021/jm00101a008 | ||
9976757 | 28289 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 375 | 9 | 1 | 3 | 5.7 | CC(CCCCOc1cc(-c2ccccc2)cc(-c2ccccc2)n1)C(=O)O | 10.1021/jm00101a008 | ||
CHEMBL137581 | 28289 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 375 | 9 | 1 | 3 | 5.7 | CC(CCCCOc1cc(-c2ccccc2)cc(-c2ccccc2)n1)C(=O)O | 10.1021/jm00101a008 | ||
10362331 | 28512 | 4 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 379 | 9 | 1 | 3 | 5.6 | O=C(O)CCCCCOc1cc(-c2ccccc2)cc(-c2ccc(F)cc2)n1 | 10.1021/jm00101a008 | ||
CHEMBL137801 | 28512 | 4 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 379 | 9 | 1 | 3 | 5.6 | O=C(O)CCCCCOc1cc(-c2ccccc2)cc(-c2ccc(F)cc2)n1 | 10.1021/jm00101a008 | ||
10451768 | 27688 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 369 | 8 | 1 | 3 | 5.6 | O=C(O)CCCCCOc1cc(-c2ccc(Cl)cc2)c2ccccc2n1 | 10.1021/jm00101a007 | ||
CHEMBL137168 | 27688 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 369 | 8 | 1 | 3 | 5.6 | O=C(O)CCCCCOc1cc(-c2ccc(Cl)cc2)c2ccccc2n1 | 10.1021/jm00101a007 | ||
10387480 | 27803 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 421 | 8 | 1 | 5 | 5.6 | CC(C)(CCCCOc1cc(-c2ccc(Cl)cc2)c2ccccc2n1)c1nnn[nH]1 | 10.1021/jm00101a007 | ||
CHEMBL137248 | 27803 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 421 | 8 | 1 | 5 | 5.6 | CC(C)(CCCCOc1cc(-c2ccc(Cl)cc2)c2ccccc2n1)c1nnn[nH]1 | 10.1021/jm00101a007 | ||
10407251 | 118576 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 377 | 8 | 1 | 3 | 5.9 | Cc1ccc(-c2cc(OCCCCC(C)(C)C(=O)O)nc3ccccc23)cc1 | 10.1021/jm00101a007 | ||
CHEMBL342688 | 118576 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 377 | 8 | 1 | 3 | 5.9 | Cc1ccc(-c2cc(OCCCCC(C)(C)C(=O)O)nc3ccccc23)cc1 | 10.1021/jm00101a007 | ||
10024190 | 25768 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 404 | 10 | 1 | 4 | 5.5 | CN(C)c1ccc(-c2cc(OCCCCCC(=O)O)nc(-c3ccccc3)c2)cc1 | 10.1021/jm00101a008 | ||
CHEMBL135431 | 25768 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 404 | 10 | 1 | 4 | 5.5 | CN(C)c1ccc(-c2cc(OCCCCCC(=O)O)nc(-c3ccccc3)c2)cc1 | 10.1021/jm00101a008 | ||
10362331 | 28512 | 4 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 379 | 9 | 1 | 3 | 5.6 | O=C(O)CCCCCOc1cc(-c2ccccc2)cc(-c2ccc(F)cc2)n1 | 10.1021/jm00101a008 | ||
CHEMBL137801 | 28512 | 4 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 379 | 9 | 1 | 3 | 5.6 | O=C(O)CCCCCOc1cc(-c2ccccc2)cc(-c2ccc(F)cc2)n1 | 10.1021/jm00101a008 | ||
44403823 | 161396 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 3125 | 109 | 25 | 54 | -4.2 | CC(C)(CCCCOc1cc(-c2ccccc2)cc(-c2ccccc2)n1)c1nnnn1CCCCC(=O)NCCCOCCOCCOCCCNC(=O)[C@H](CS(=O)(=O)O)NC(=O)[C@H](CS(=O)(=O)O)NC(=O)[C@H](CS(=O)(=O)O)NC(=O)[C@H](CS(=O)(=O)O)NC(=O)CC[C@H](NC(=O)CN(CCN(CCN(CC(=O)O)CC(=O)O)CC(=O)O)CC(=O)O)C(=O)N[C@@H](CS(=O)(=O)O)C(=O)N[C@@H](CS(=O)(=O)O)C(=O)N[C@@H](CS(=O)(=O)O)C(=O)N[C@@H](CS(=O)(=O)O)C(=O)NCCCOCCOCCOCCCNC(=O)CCCCn1nnnc1C(C)(C)CCCCOc1cc(-c2ccccc2)cc(-c2ccccc2)n1 | 10.1021/jm050383h | ||
CHEMBL415548 | 161396 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 3125 | 109 | 25 | 54 | -4.2 | CC(C)(CCCCOc1cc(-c2ccccc2)cc(-c2ccccc2)n1)c1nnnn1CCCCC(=O)NCCCOCCOCCOCCCNC(=O)[C@H](CS(=O)(=O)O)NC(=O)[C@H](CS(=O)(=O)O)NC(=O)[C@H](CS(=O)(=O)O)NC(=O)[C@H](CS(=O)(=O)O)NC(=O)CC[C@H](NC(=O)CN(CCN(CCN(CC(=O)O)CC(=O)O)CC(=O)O)CC(=O)O)C(=O)N[C@@H](CS(=O)(=O)O)C(=O)N[C@@H](CS(=O)(=O)O)C(=O)N[C@@H](CS(=O)(=O)O)C(=O)N[C@@H](CS(=O)(=O)O)C(=O)NCCCOCCOCCOCCCNC(=O)CCCCn1nnnc1C(C)(C)CCCCOc1cc(-c2ccccc2)cc(-c2ccccc2)n1 | 10.1021/jm050383h | ||
129065 | 107059 | 22 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 377 | 4 | 3 | 6 | 3.2 | Cc1c(O)c(C)c2sc(NCc3ccc(S(N)(=O)=O)cc3)nc2c1C | 10.1021/jm00045a011 | ||
CHEMBL318809 | 107059 | 22 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 377 | 4 | 3 | 6 | 3.2 | Cc1c(O)c(C)c2sc(NCc3ccc(S(N)(=O)=O)cc3)nc2c1C | 10.1021/jm00045a011 | ||
18963030 | 14454 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 442 | 12 | 2 | 6 | 5.1 | CCc1cc(OCc2ccc(F)cc2)c(O)cc1OCCCCCC(C)(C)c1nn[nH]n1 | 10.1016/S0960-894X(00)80453-9 | ||
CHEMBL1205054 | 14454 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 442 | 12 | 2 | 6 | 5.1 | CCc1cc(OCc2ccc(F)cc2)c(O)cc1OCCCCCC(C)(C)c1nn[nH]n1 | 10.1016/S0960-894X(00)80453-9 | ||
CHEMBL47725 | 14454 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 442 | 12 | 2 | 6 | 5.1 | CCc1cc(OCc2ccc(F)cc2)c(O)cc1OCCCCCC(C)(C)c1nn[nH]n1 | 10.1016/S0960-894X(00)80453-9 | ||
15666588 | 96428 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 358 | 11 | 1 | 2 | 6.1 | Cc1cc(CCCCCC(C)C(=O)O)c(CCCc2ccccc2)s1 | 10.1021/jm00095a011 | ||
CHEMBL265563 | 96428 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 358 | 11 | 1 | 2 | 6.1 | Cc1cc(CCCCCC(C)C(=O)O)c(CCCc2ccccc2)s1 | 10.1021/jm00095a011 | ||
15666614 | 110815 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 358 | 11 | 1 | 2 | 6.1 | Cc1cc(CCCc2ccccc2)c(CCCCCC(C)C(=O)O)s1 | 10.1021/jm00095a011 | ||
CHEMBL326650 | 110815 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 358 | 11 | 1 | 2 | 6.1 | Cc1cc(CCCc2ccccc2)c(CCCCCC(C)C(=O)O)s1 | 10.1021/jm00095a011 | ||
9841175 | 14480 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 346 | 9 | 3 | 3 | 3.7 | O=C(O)C[C@]1(O)CCC[C@H](/C=C/C(O)CCCCc2ccccc2)C1 | 10.1016/0960-894X(96)00424-6 | ||
CHEMBL1205297 | 14480 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 346 | 9 | 3 | 3 | 3.7 | O=C(O)C[C@]1(O)CCC[C@H](/C=C/C(O)CCCCc2ccccc2)C1 | 10.1016/0960-894X(96)00424-6 | ||
CHEMBL77513 | 14480 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 346 | 9 | 3 | 3 | 3.7 | O=C(O)C[C@]1(O)CCC[C@H](/C=C/C(O)CCCCc2ccccc2)C1 | 10.1016/0960-894X(96)00424-6 | ||
114999 | 3482 | 15 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 484 | 13 | 1 | 6 | 5.4 | CCCc1c(OCCCOc2ccc(c(c2CCC)OC)C(=O)C)ccc2c1OC(CC2)C(=O)O | 10.1021/jm00126a001 | ||
6156 | 3482 | 15 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 484 | 13 | 1 | 6 | 5.4 | CCCc1c(OCCCOc2ccc(c(c2CCC)OC)C(=O)C)ccc2c1OC(CC2)C(=O)O | 10.1021/jm00126a001 | ||
CHEMBL14823 | 3482 | 15 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 484 | 13 | 1 | 6 | 5.4 | CCCc1c(OCCCOc2ccc(c(c2CCC)OC)C(=O)C)ccc2c1OC(CC2)C(=O)O | 10.1021/jm00126a001 | ||
44213761 | 120221 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 346 | 9 | 3 | 3 | 3.7 | O=C(O)CC1(O)CCCC(/C=C/C(O)CCCCc2ccccc2)C1 | 10.1016/s0960-894x(00)00103-7 | ||
CHEMBL354872 | 120221 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 346 | 9 | 3 | 3 | 3.7 | O=C(O)CC1(O)CCCC(/C=C/C(O)CCCCc2ccccc2)C1 | 10.1016/s0960-894x(00)00103-7 | ||
114999 | 3482 | 15 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 484 | 13 | 1 | 6 | 5.4 | CCCc1c(OCCCOc2ccc(c(c2CCC)OC)C(=O)C)ccc2c1OC(CC2)C(=O)O | 10.1021/jm00100a034 | ||
6156 | 3482 | 15 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 484 | 13 | 1 | 6 | 5.4 | CCCc1c(OCCCOc2ccc(c(c2CCC)OC)C(=O)C)ccc2c1OC(CC2)C(=O)O | 10.1021/jm00100a034 | ||
CHEMBL14823 | 3482 | 15 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 484 | 13 | 1 | 6 | 5.4 | CCCc1c(OCCCOc2ccc(c(c2CCC)OC)C(=O)C)ccc2c1OC(CC2)C(=O)O | 10.1021/jm00100a034 | ||
10387303 | 27393 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 418 | 11 | 2 | 4 | 6.3 | CC(C)Nc1ccc(-c2cc(OCCCCCC(=O)O)nc(-c3ccccc3)c2)cc1 | 10.1021/jm00101a008 | ||
CHEMBL136955 | 27393 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 418 | 11 | 2 | 4 | 6.3 | CC(C)Nc1ccc(-c2cc(OCCCCCC(=O)O)nc(-c3ccccc3)c2)cc1 | 10.1021/jm00101a008 | ||
10427789 | 27732 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 347 | 8 | 1 | 3 | 5.0 | O=C(O)CCCCOc1cc(-c2ccccc2)cc(-c2ccccc2)n1 | 10.1021/jm00101a008 | ||
CHEMBL137201 | 27732 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 347 | 8 | 1 | 3 | 5.0 | O=C(O)CCCCOc1cc(-c2ccccc2)cc(-c2ccccc2)n1 | 10.1021/jm00101a008 | ||
10455429 | 28749 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 431 | 8 | 1 | 3 | 6.6 | CC(C)(CCCCOc1cc(-c2ccc(C(F)(F)F)cc2)c2ccccc2n1)C(=O)O | 10.1021/jm00101a007 | ||
CHEMBL138018 | 28749 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 431 | 8 | 1 | 3 | 6.6 | CC(C)(CCCCOc1cc(-c2ccc(C(F)(F)F)cc2)c2ccccc2n1)C(=O)O | 10.1021/jm00101a007 | ||
10430678 | 167845 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 393 | 9 | 1 | 4 | 5.6 | COc1cccc(-c2cc(OCCCCC(C)(C)C(=O)O)nc3ccccc23)c1 | 10.1021/jm00101a007 | ||
CHEMBL434810 | 167845 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 393 | 9 | 1 | 4 | 5.6 | COc1cccc(-c2cc(OCCCCC(C)(C)C(=O)O)nc3ccccc23)c1 | 10.1021/jm00101a007 | ||
10314767 | 28330 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 333 | 7 | 1 | 3 | 4.7 | O=C(O)CCCOc1cc(-c2ccccc2)cc(-c2ccccc2)n1 | 10.1021/jm00101a008 | ||
CHEMBL137633 | 28330 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 333 | 7 | 1 | 3 | 4.7 | O=C(O)CCCOc1cc(-c2ccccc2)cc(-c2ccccc2)n1 | 10.1021/jm00101a008 | ||
10407131 | 161407 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 375 | 9 | 1 | 3 | 5.7 | Cc1ccc(-c2cc(-c3ccccc3)cc(OCCCCCC(=O)O)n2)cc1 | 10.1021/jm00101a008 | ||
CHEMBL415687 | 161407 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 375 | 9 | 1 | 3 | 5.7 | Cc1ccc(-c2cc(-c3ccccc3)cc(OCCCCCC(=O)O)n2)cc1 | 10.1021/jm00101a008 | ||
114999 | 3482 | 15 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 484 | 13 | 1 | 6 | 5.4 | CCCc1c(OCCCOc2ccc(c(c2CCC)OC)C(=O)C)ccc2c1OC(CC2)C(=O)O | 10.1021/jm00070a015 | ||
6156 | 3482 | 15 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 484 | 13 | 1 | 6 | 5.4 | CCCc1c(OCCCOc2ccc(c(c2CCC)OC)C(=O)C)ccc2c1OC(CC2)C(=O)O | 10.1021/jm00070a015 | ||
CHEMBL14823 | 3482 | 15 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 484 | 13 | 1 | 6 | 5.4 | CCCc1c(OCCCOc2ccc(c(c2CCC)OC)C(=O)C)ccc2c1OC(CC2)C(=O)O | 10.1021/jm00070a015 | ||
15666630 | 8005 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 362 | 11 | 1 | 3 | 6.0 | Cc1cc(CCCc2ccccc2)c(SCCCCCC(=O)O)s1 | 10.1021/jm00095a011 | ||
CHEMBL109129 | 8005 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 362 | 11 | 1 | 3 | 6.0 | Cc1cc(CCCc2ccccc2)c(SCCCCCC(=O)O)s1 | 10.1021/jm00095a011 | ||
15666582 | 110197 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 360 | 12 | 1 | 3 | 5.5 | COc1ccc(CCCc2sccc2CCCCCCC(=O)O)cc1 | 10.1021/jm00095a011 | ||
CHEMBL326000 | 110197 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 360 | 12 | 1 | 3 | 5.5 | COc1ccc(CCCc2sccc2CCCCCCC(=O)O)cc1 | 10.1021/jm00095a011 | ||
44317392 | 203536 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 511 | 13 | 2 | 7 | 4.8 | CCCc1c(OCCCOc2cc(O)c(C(=O)/C=C/N(C)C)cc2CC)ccc2c1OC(C(=O)O)CC2 | 10.1021/jm00041a021 | ||
CHEMBL78859 | 203536 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 511 | 13 | 2 | 7 | 4.8 | CCCc1c(OCCCOc2cc(O)c(C(=O)/C=C/N(C)C)cc2CC)ccc2c1OC(C(=O)O)CC2 | 10.1021/jm00041a021 | ||
2487 | 2336 | 32 | None | 31 | 2 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 336 | 14 | 3 | 3 | 4.2 | CCCCC/C=C\C[C@H](/C=C/C=C/C=C\[C@H](CCCC(=O)O)O)O | 10.1016/S0960-894X(01)80853-2 | ||
5280492 | 2336 | 32 | None | 31 | 2 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 336 | 14 | 3 | 3 | 4.2 | CCCCC/C=C\C[C@H](/C=C/C=C/C=C\[C@H](CCCC(=O)O)O)O | 10.1016/S0960-894X(01)80853-2 | ||
CHEMBL65061 | 2336 | 32 | None | 31 | 2 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 336 | 14 | 3 | 3 | 4.2 | CCCCC/C=C\C[C@H](/C=C/C=C/C=C\[C@H](CCCC(=O)O)O)O | 10.1016/S0960-894X(01)80853-2 | ||
DB12961 | 2336 | 32 | None | 31 | 2 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 336 | 14 | 3 | 3 | 4.2 | CCCCC/C=C\C[C@H](/C=C/C=C/C=C\[C@H](CCCC(=O)O)O)O | 10.1016/S0960-894X(01)80853-2 | ||
114999 | 3482 | 15 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 484 | 13 | 1 | 6 | 5.4 | CCCc1c(OCCCOc2ccc(c(c2CCC)OC)C(=O)C)ccc2c1OC(CC2)C(=O)O | 10.1021/jm00006a002 | ||
6156 | 3482 | 15 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 484 | 13 | 1 | 6 | 5.4 | CCCc1c(OCCCOc2ccc(c(c2CCC)OC)C(=O)C)ccc2c1OC(CC2)C(=O)O | 10.1021/jm00006a002 | ||
CHEMBL14823 | 3482 | 15 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 484 | 13 | 1 | 6 | 5.4 | CCCc1c(OCCCOc2ccc(c(c2CCC)OC)C(=O)C)ccc2c1OC(CC2)C(=O)O | 10.1021/jm00006a002 | ||
10053028 | 58697 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 540 | 13 | 2 | 8 | 5.9 | CCCc1c(OCCCOc2ccc(-c3csc(N)n3)c(OC)c2CCC)ccc2c1OC(C(=O)O)CC2 | 10.1021/jm00006a002 | ||
CHEMBL169120 | 58697 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 540 | 13 | 2 | 8 | 5.9 | CCCc1c(OCCCOc2ccc(-c3csc(N)n3)c(OC)c2CCC)ccc2c1OC(C(=O)O)CC2 | 10.1021/jm00006a002 | ||
6441619 | 205055 | 13 | None | - | 1 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 459 | 9 | 1 | 4 | 6.4 | O=C(O)/C=C/c1nc(CSc2c(Cl)cccc2Cl)ccc1OCCc1ccccc1 | 10.1021/jm960248s | ||
CHEMBL90214 | 205055 | 13 | None | - | 1 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 459 | 9 | 1 | 4 | 6.4 | O=C(O)/C=C/c1nc(CSc2c(Cl)cccc2Cl)ccc1OCCc1ccccc1 | 10.1021/jm960248s | ||
18963062 | 14613 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 404 | 13 | 2 | 6 | 4.8 | CCc1cc(OCCC(C)C)c(O)cc1OCCCCCC(C)(C)c1nn[nH]n1 | 10.1016/S0960-894X(00)80453-9 | ||
CHEMBL1206683 | 14613 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 404 | 13 | 2 | 6 | 4.8 | CCc1cc(OCCC(C)C)c(O)cc1OCCCCCC(C)(C)c1nn[nH]n1 | 10.1016/S0960-894X(00)80453-9 | ||
CHEMBL295799 | 14613 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 404 | 13 | 2 | 6 | 4.8 | CCc1cc(OCCC(C)C)c(O)cc1OCCCCCC(C)(C)c1nn[nH]n1 | 10.1016/S0960-894X(00)80453-9 | ||
15666601 | 6069 | 1 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 302 | 9 | 1 | 2 | 4.7 | O=C(O)CCCCc1sccc1CCCc1ccccc1 | 10.1021/jm00095a011 | ||
CHEMBL108094 | 6069 | 1 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 302 | 9 | 1 | 2 | 4.7 | O=C(O)CCCCc1sccc1CCCc1ccccc1 | 10.1021/jm00095a011 | ||
15839733 | 45380 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 458 | 14 | 2 | 6 | 5.2 | CCCc1c(OCCCOc2cc(O)c(C(C)=O)cc2CC)cccc1OC(CC)C(=O)O | 10.1016/S0960-894X(00)80304-2 | ||
CHEMBL15295 | 45380 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 458 | 14 | 2 | 6 | 5.2 | CCCc1c(OCCCOc2cc(O)c(C(C)=O)cc2CC)cccc1OC(CC)C(=O)O | 10.1016/S0960-894X(00)80304-2 | ||
44296838 | 193172 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 334 | 14 | 2 | 2 | 5.4 | CCCCC/C=C\C[C@@H](C)/C=C/C=C/C=C/[C@@H](O)CCCC(=O)O | 10.1016/S0960-894X(01)80795-2 | ||
CHEMBL53967 | 193172 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 334 | 14 | 2 | 2 | 5.4 | CCCCC/C=C\C[C@@H](C)/C=C/C=C/C=C/[C@@H](O)CCCC(=O)O | 10.1016/S0960-894X(01)80795-2 | ||
15839729 | 205161 | 1 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 456 | 11 | 2 | 6 | 4.7 | CCCc1c(OCCCOc2cc(O)c(C(C)=O)cc2CC)ccc2c1OC(C(=O)O)CC2 | 10.1021/jm960088k | ||
CHEMBL15559 | 205161 | 1 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 456 | 11 | 2 | 6 | 4.7 | CCCc1c(OCCCOc2cc(O)c(C(C)=O)cc2CC)ccc2c1OC(C(=O)O)CC2 | 10.1021/jm960088k | ||
CHEMBL90788 | 205161 | 1 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 456 | 11 | 2 | 6 | 4.7 | CCCc1c(OCCCOc2cc(O)c(C(C)=O)cc2CC)ccc2c1OC(C(=O)O)CC2 | 10.1021/jm960088k | ||
15839729 | 205161 | 1 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 456 | 11 | 2 | 6 | 4.7 | CCCc1c(OCCCOc2cc(O)c(C(C)=O)cc2CC)ccc2c1OC(C(=O)O)CC2 | 10.1016/S0960-894X(00)80304-2 | ||
CHEMBL15559 | 205161 | 1 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 456 | 11 | 2 | 6 | 4.7 | CCCc1c(OCCCOc2cc(O)c(C(C)=O)cc2CC)ccc2c1OC(C(=O)O)CC2 | 10.1016/S0960-894X(00)80304-2 | ||
CHEMBL90788 | 205161 | 1 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 456 | 11 | 2 | 6 | 4.7 | CCCc1c(OCCCOc2cc(O)c(C(C)=O)cc2CC)ccc2c1OC(C(=O)O)CC2 | 10.1016/S0960-894X(00)80304-2 | ||
9955657 | 204929 | 11 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 455 | 13 | 2 | 5 | 4.9 | COc1cc(C(=O)N(C(C)C)C(C)C)ccc1OCCCCCOc1ccc(C(=N)N)cc1 | 10.1021/jm960088k | ||
CHEMBL89326 | 204929 | 11 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 455 | 13 | 2 | 5 | 4.9 | COc1cc(C(=O)N(C(C)C)C(C)C)ccc1OCCCCCOc1ccc(C(=N)N)cc1 | 10.1021/jm960088k | ||
9893718 | 204775 | 0 | None | - | 1 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 548 | 12 | 3 | 8 | 5.0 | CCc1cc(C(C)=O)c(O)cc1OCCCOc1ccc2c(=O)c3cc(C(=O)O)ccc3oc2c1CCC(=O)O | 10.1021/jm960088k | ||
CHEMBL292768 | 204775 | 0 | None | - | 1 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 548 | 12 | 3 | 8 | 5.0 | CCc1cc(C(C)=O)c(O)cc1OCCCOc1ccc2c(=O)c3cc(C(=O)O)ccc3oc2c1CCC(=O)O | 10.1021/jm960088k | ||
CHEMBL88337 | 204775 | 0 | None | - | 1 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 548 | 12 | 3 | 8 | 5.0 | CCc1cc(C(C)=O)c(O)cc1OCCCOc1ccc2c(=O)c3cc(C(=O)O)ccc3oc2c1CCC(=O)O | 10.1021/jm960088k | ||
9893718 | 204775 | 0 | None | - | 1 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 548 | 12 | 3 | 8 | 5.0 | CCc1cc(C(C)=O)c(O)cc1OCCCOc1ccc2c(=O)c3cc(C(=O)O)ccc3oc2c1CCC(=O)O | 10.1016/S0960-894X(01)80999-9 | ||
CHEMBL292768 | 204775 | 0 | None | - | 1 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 548 | 12 | 3 | 8 | 5.0 | CCc1cc(C(C)=O)c(O)cc1OCCCOc1ccc2c(=O)c3cc(C(=O)O)ccc3oc2c1CCC(=O)O | 10.1016/S0960-894X(01)80999-9 | ||
CHEMBL88337 | 204775 | 0 | None | - | 1 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 548 | 12 | 3 | 8 | 5.0 | CCc1cc(C(C)=O)c(O)cc1OCCCOc1ccc2c(=O)c3cc(C(=O)O)ccc3oc2c1CCC(=O)O | 10.1016/S0960-894X(01)80999-9 | ||
10046878 | 28221 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 405 | 10 | 1 | 4 | 5.7 | COc1ccc(-c2cc(OCCCCC(C)C(=O)O)nc(-c3ccccc3)c2)cc1 | 10.1021/jm00101a008 | ||
CHEMBL137531 | 28221 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 405 | 10 | 1 | 4 | 5.7 | COc1ccc(-c2cc(OCCCCC(C)C(=O)O)nc(-c3ccccc3)c2)cc1 | 10.1021/jm00101a008 | ||
9976757 | 28289 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 375 | 9 | 1 | 3 | 5.7 | CC(CCCCOc1cc(-c2ccccc2)cc(-c2ccccc2)n1)C(=O)O | 10.1021/jm00101a008 | ||
CHEMBL137581 | 28289 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 375 | 9 | 1 | 3 | 5.7 | CC(CCCCOc1cc(-c2ccccc2)cc(-c2ccccc2)n1)C(=O)O | 10.1021/jm00101a008 | ||
10430674 | 118833 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 393 | 9 | 1 | 3 | 5.8 | CC(CCCCOc1cc(-c2ccccc2)cc(-c2ccccc2F)n1)C(=O)O | 10.1021/jm00101a008 | ||
CHEMBL344230 | 118833 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 393 | 9 | 1 | 3 | 5.8 | CC(CCCCOc1cc(-c2ccccc2)cc(-c2ccccc2F)n1)C(=O)O | 10.1021/jm00101a008 | ||
9912012 | 161655 | 0 | None | - | 1 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 458 | 12 | 2 | 6 | 4.9 | CCCc1c(OCCCOc2cc(O)c(OCC)cc2CC)ccc2c1OC(C(=O)O)CC2 | 10.1016/S0960-894X(00)80454-0 | ||
CHEMBL416277 | 161655 | 0 | None | - | 1 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 458 | 12 | 2 | 6 | 4.9 | CCCc1c(OCCCOc2cc(O)c(OCC)cc2CC)ccc2c1OC(C(=O)O)CC2 | 10.1016/S0960-894X(00)80454-0 | ||
10364772 | 27949 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 419 | 9 | 1 | 5 | 5.4 | CC(CCCCOc1cc(-c2ccc3c(c2)OCO3)cc(-c2ccccc2)n1)C(=O)O | 10.1021/jm00101a008 | ||
CHEMBL137341 | 27949 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 419 | 9 | 1 | 5 | 5.4 | CC(CCCCOc1cc(-c2ccc3c(c2)OCO3)cc(-c2ccccc2)n1)C(=O)O | 10.1021/jm00101a008 | ||
204055 | 206570 | 5 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 537 | 13 | 1 | 7 | 6.4 | CCCc1c(OCCCOc2ccc(-c3cscn3)c(OC)c2CC2CC2)ccc2c1OC(C(=O)O)CC2 | 10.1021/jm00006a002 | ||
CHEMBL99099 | 206570 | 5 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 537 | 13 | 1 | 7 | 6.4 | CCCc1c(OCCCOc2ccc(-c3cscn3)c(OC)c2CC2CC2)ccc2c1OC(C(=O)O)CC2 | 10.1021/jm00006a002 | ||
135543808 | 203872 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 480 | 11 | 3 | 6 | 4.9 | CCCc1c(OCCCOc2cc(O)c(-c3cc[nH]n3)cc2CC)ccc2c1OC(C(=O)O)CC2 | 10.1021/jm00041a021 | ||
CHEMBL81401 | 203872 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 480 | 11 | 3 | 6 | 4.9 | CCCc1c(OCCCOc2cc(O)c(-c3cc[nH]n3)cc2CC)ccc2c1OC(C(=O)O)CC2 | 10.1021/jm00041a021 | ||
132379 | 111240 | 13 | None | - | 1 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 453 | 9 | 1 | 3 | 5.4 | CN(CCc1ccccc1)C(=O)Cc1cc(C(=O)O)cc2c(OCc3ccccc3)cccc12 | 10.1021/jm9506985 | ||
CHEMBL328712 | 111240 | 13 | None | - | 1 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 453 | 9 | 1 | 3 | 5.4 | CN(CCc1ccccc1)C(=O)Cc1cc(C(=O)O)cc2c(OCc3ccccc3)cccc12 | 10.1021/jm9506985 | ||
132379 | 111240 | 13 | None | - | 1 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 453 | 9 | 1 | 3 | 5.4 | CN(CCc1ccccc1)C(=O)Cc1cc(C(=O)O)cc2c(OCc3ccccc3)cccc12 | 10.1021/jm00100a034 | ||
CHEMBL328712 | 111240 | 13 | None | - | 1 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 453 | 9 | 1 | 3 | 5.4 | CN(CCc1ccccc1)C(=O)Cc1cc(C(=O)O)cc2c(OCc3ccccc3)cccc12 | 10.1021/jm00100a034 | ||
10292143 | 116097 | 1 | None | - | 1 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 362 | 11 | 2 | 6 | 3.8 | CCOc1cc(CC)c(OCCCCCC(C)(C)c2nn[nH]n2)cc1O | 10.1016/S0960-894X(00)80453-9 | ||
CHEMBL336665 | 116097 | 1 | None | - | 1 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 362 | 11 | 2 | 6 | 3.8 | CCOc1cc(CC)c(OCCCCCC(C)(C)c2nn[nH]n2)cc1O | 10.1016/S0960-894X(00)80453-9 | ||
CHEMBL48667 | 116097 | 1 | None | - | 1 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 362 | 11 | 2 | 6 | 3.8 | CCOc1cc(CC)c(OCCCCCC(C)(C)c2nn[nH]n2)cc1O | 10.1016/S0960-894X(00)80453-9 | ||
10292143 | 116097 | 1 | None | - | 1 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 362 | 11 | 2 | 6 | 3.8 | CCOc1cc(CC)c(OCCCCCC(C)(C)c2nn[nH]n2)cc1O | 10.1016/S0960-894X(00)80454-0 | ||
CHEMBL336665 | 116097 | 1 | None | - | 1 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 362 | 11 | 2 | 6 | 3.8 | CCOc1cc(CC)c(OCCCCCC(C)(C)c2nn[nH]n2)cc1O | 10.1016/S0960-894X(00)80454-0 | ||
CHEMBL48667 | 116097 | 1 | None | - | 1 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 362 | 11 | 2 | 6 | 3.8 | CCOc1cc(CC)c(OCCCCCC(C)(C)c2nn[nH]n2)cc1O | 10.1016/S0960-894X(00)80454-0 | ||
10090758 | 58691 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 373 | 9 | 2 | 3 | 3.7 | CN(C)C(=O)CC1(O)CCCC(/C=C/C(O)CCCCc2ccccc2)C1 | 10.1016/s0960-894x(00)00103-7 | ||
CHEMBL169055 | 58691 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 373 | 9 | 2 | 3 | 3.7 | CN(C)C(=O)CC1(O)CCCC(/C=C/C(O)CCCCc2ccccc2)C1 | 10.1016/s0960-894x(00)00103-7 | ||
10047140 | 27400 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 409 | 9 | 1 | 3 | 6.3 | CC(CCCCOc1cc(-c2cccc(Cl)c2)cc(-c2ccccc2)n1)C(=O)O | 10.1021/jm00101a008 | ||
CHEMBL136960 | 27400 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 409 | 9 | 1 | 3 | 6.3 | CC(CCCCOc1cc(-c2cccc(Cl)c2)cc(-c2ccccc2)n1)C(=O)O | 10.1021/jm00101a008 | ||
10001576 | 28169 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 409 | 9 | 1 | 3 | 6.3 | CC(CCCCOc1cc(-c2ccc(Cl)cc2)cc(-c2ccccc2)n1)C(=O)O | 10.1021/jm00101a008 | ||
CHEMBL137494 | 28169 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 409 | 9 | 1 | 3 | 6.3 | CC(CCCCOc1cc(-c2ccc(Cl)cc2)cc(-c2ccccc2)n1)C(=O)O | 10.1021/jm00101a008 | ||
9999718 | 24862 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 378 | 8 | 2 | 4 | 5.1 | CC(C)(CCCCOc1cc(-c2ccc(N)cc2)c2ccccc2n1)C(=O)O | 10.1021/jm00101a007 | ||
CHEMBL134697 | 24862 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 378 | 8 | 2 | 4 | 5.1 | CC(C)(CCCCOc1cc(-c2ccc(N)cc2)c2ccccc2n1)C(=O)O | 10.1021/jm00101a007 | ||
14946858 | 28948 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 375 | 9 | 0 | 4 | 5.5 | COC(=O)CCCCCOc1cc(-c2ccccc2)cc(-c2ccccc2)n1 | 10.1021/jm00101a008 | ||
CHEMBL138174 | 28948 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 375 | 9 | 0 | 4 | 5.5 | COC(=O)CCCCCOc1cc(-c2ccccc2)cc(-c2ccccc2)n1 | 10.1021/jm00101a008 | ||
10068808 | 27502 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 387 | 8 | 1 | 5 | 4.9 | CC(C)(CCCCOc1cc(-c2ccccc2)c2ccccc2n1)c1nnn[nH]1 | 10.1021/jm00101a007 | ||
CHEMBL137030 | 27502 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 387 | 8 | 1 | 5 | 4.9 | CC(C)(CCCCOc1cc(-c2ccccc2)c2ccccc2n1)c1nnn[nH]1 | 10.1021/jm00101a007 | ||
18373405 | 31482 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 525 | 7 | 1 | 3 | 7.3 | COc1cc(C(=O)O)ccc1Cc1cn(C(c2ccccc2)c2ccccc2)c2ccc(Br)cc12 | 10.1016/j.bmcl.2003.08.070 | ||
CHEMBL140539 | 31482 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 525 | 7 | 1 | 3 | 7.3 | COc1cc(C(=O)O)ccc1Cc1cn(C(c2ccccc2)c2ccccc2)c2ccc(Br)cc12 | 10.1016/j.bmcl.2003.08.070 | ||
18373357 | 116293 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 461 | 7 | 1 | 3 | 6.9 | COc1cc(C(=O)O)ccc1Cc1cn(C(c2ccccc2)c2ccccc2)c2ccc(C)cc12 | 10.1016/j.bmcl.2003.08.070 | ||
CHEMBL337790 | 116293 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 461 | 7 | 1 | 3 | 6.9 | COc1cc(C(=O)O)ccc1Cc1cn(C(c2ccccc2)c2ccccc2)c2ccc(C)cc12 | 10.1016/j.bmcl.2003.08.070 | ||
44359651 | 118678 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 481 | 7 | 1 | 3 | 7.2 | COc1cc(C(=O)O)ccc1Cc1cn(C(c2ccccc2)c2ccccc2)c2ccc(Cl)cc12 | 10.1016/j.bmcl.2003.08.070 | ||
CHEMBL343124 | 118678 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 481 | 7 | 1 | 3 | 7.2 | COc1cc(C(=O)O)ccc1Cc1cn(C(c2ccccc2)c2ccccc2)c2ccc(Cl)cc12 | 10.1016/j.bmcl.2003.08.070 | ||
10021742 | 9365 | 4 | None | - | 1 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 365 | 4 | 1 | 7 | 2.6 | Cn1c(N)nc(Cc2ccc3c(c2)OCO3)c1Cc1ccc2c(c1)OCO2 | 10.1021/np50100a005 | ||
CHEMBL111825 | 9365 | 4 | None | - | 1 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 365 | 4 | 1 | 7 | 2.6 | Cn1c(N)nc(Cc2ccc3c(c2)OCO3)c1Cc1ccc2c(c1)OCO2 | 10.1021/np50100a005 | ||
10248148 | 115495 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 363 | 8 | 1 | 3 | 5.6 | CC(C)(CCCCOc1cc(-c2ccccc2)c2ccccc2n1)C(=O)O | 10.1021/jm00101a007 | ||
CHEMBL335525 | 115495 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 363 | 8 | 1 | 3 | 5.6 | CC(C)(CCCCOc1cc(-c2ccccc2)c2ccccc2n1)C(=O)O | 10.1021/jm00101a007 | ||
44270188 | 51111 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 484 | 13 | 1 | 6 | 5.4 | CCCc1cc(OCCCOc2ccc(C(C)=O)c(OC)c2CCC)cc2c1OC(C(=O)O)CC2 | 10.1016/S0960-894X(00)80304-2 | ||
CHEMBL15817 | 51111 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 484 | 13 | 1 | 6 | 5.4 | CCCc1cc(OCCCOc2ccc(C(C)=O)c(OC)c2CCC)cc2c1OC(C(=O)O)CC2 | 10.1016/S0960-894X(00)80304-2 | ||
18963059 | 14455 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 402 | 11 | 2 | 6 | 4.7 | CCc1cc(OC2CCCC2)c(O)cc1OCCCCCC(C)(C)c1nn[nH]n1 | 10.1016/S0960-894X(00)80453-9 | ||
CHEMBL1205055 | 14455 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 402 | 11 | 2 | 6 | 4.7 | CCc1cc(OC2CCCC2)c(O)cc1OCCCCCC(C)(C)c1nn[nH]n1 | 10.1016/S0960-894X(00)80453-9 | ||
CHEMBL47726 | 14455 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 402 | 11 | 2 | 6 | 4.7 | CCc1cc(OC2CCCC2)c(O)cc1OCCCCCC(C)(C)c1nn[nH]n1 | 10.1016/S0960-894X(00)80453-9 | ||
204055 | 206570 | 5 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 537 | 13 | 1 | 7 | 6.4 | CCCc1c(OCCCOc2ccc(-c3cscn3)c(OC)c2CC2CC2)ccc2c1OC(C(=O)O)CC2 | 10.1021/jm00006a002 | ||
CHEMBL99099 | 206570 | 5 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 537 | 13 | 1 | 7 | 6.4 | CCCc1c(OCCCOc2ccc(-c3cscn3)c(OC)c2CC2CC2)ccc2c1OC(C(=O)O)CC2 | 10.1021/jm00006a002 | ||
60490 | 205530 | 104 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 236 | 2 | 2 | 3 | 2.7 | CC(c1cc2ccccc2s1)N(O)C(N)=O | 10.1021/jm950725r | ||
CHEMBL93 | 205530 | 104 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 236 | 2 | 2 | 3 | 2.7 | CC(c1cc2ccccc2s1)N(O)C(N)=O | 10.1021/jm950725r | ||
114999 | 3482 | 15 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 484 | 13 | 1 | 6 | 5.4 | CCCc1c(OCCCOc2ccc(c(c2CCC)OC)C(=O)C)ccc2c1OC(CC2)C(=O)O | 10.1021/jm00006a002 | ||
6156 | 3482 | 15 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 484 | 13 | 1 | 6 | 5.4 | CCCc1c(OCCCOc2ccc(c(c2CCC)OC)C(=O)C)ccc2c1OC(CC2)C(=O)O | 10.1021/jm00006a002 | ||
CHEMBL14823 | 3482 | 15 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 484 | 13 | 1 | 6 | 5.4 | CCCc1c(OCCCOc2ccc(c(c2CCC)OC)C(=O)C)ccc2c1OC(CC2)C(=O)O | 10.1021/jm00006a002 | ||
9934323 | 99789 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 468 | 14 | 2 | 5 | 6.2 | CCCCCCCCCCOc1ccc2c(=O)c3cc(C(=O)O)ccc3oc2c1CCC(=O)O | 10.1021/jm00064a006 | ||
CHEMBL288758 | 99789 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 468 | 14 | 2 | 5 | 6.2 | CCCCCCCCCCOc1ccc2c(=O)c3cc(C(=O)O)ccc3oc2c1CCC(=O)O | 10.1021/jm00064a006 | ||
10170399 | 14653 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 1018 | 33 | 4 | 16 | 7.6 | CC(C)(CCCCOc1cc(-c2ccccc2)cc(-c2ccccc2)n1)c1nnnn1CCCCC(=O)NCCCOCCOCCOCCCNC(=O)c1ccc(N/N=C/c2ccccc2S(=O)(=O)O)nc1 | 10.1021/jm050383h | ||
CHEMBL1207275 | 14653 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 1018 | 33 | 4 | 16 | 7.6 | CC(C)(CCCCOc1cc(-c2ccccc2)cc(-c2ccccc2)n1)c1nnnn1CCCCC(=O)NCCCOCCOCCOCCCNC(=O)c1ccc(N/N=C/c2ccccc2S(=O)(=O)O)nc1 | 10.1021/jm050383h | ||
CHEMBL384950 | 14653 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 1018 | 33 | 4 | 16 | 7.6 | CC(C)(CCCCOc1cc(-c2ccccc2)cc(-c2ccccc2)n1)c1nnnn1CCCCC(=O)NCCCOCCOCCOCCCNC(=O)c1ccc(N/N=C/c2ccccc2S(=O)(=O)O)nc1 | 10.1021/jm050383h | ||
10415107 | 14729 | 0 | None | - | 0 | Human | 4.4 | pIC50 | = | 4.4 | Binding | ChEMBL | 504 | 4 | 2 | 7 | 4.1 | CC1(C)CCC[C@@]2(C)[C@H]1CC[C@@]1(C)OCc3c(OS(=O)(=O)O)ccc(OS(=O)(=O)O)c3C[C@H]21 | 10.1021/np50120a024 | ||
CHEMBL1207951 | 14729 | 0 | None | - | 0 | Human | 4.4 | pIC50 | = | 4.4 | Binding | ChEMBL | 504 | 4 | 2 | 7 | 4.1 | CC1(C)CCC[C@@]2(C)[C@H]1CC[C@@]1(C)OCc3c(OS(=O)(=O)O)ccc(OS(=O)(=O)O)c3C[C@H]21 | 10.1021/np50120a024 | ||
CHEMBL462734 | 14729 | 0 | None | - | 0 | Human | 4.4 | pIC50 | = | 4.4 | Binding | ChEMBL | 504 | 4 | 2 | 7 | 4.1 | CC1(C)CCC[C@@]2(C)[C@H]1CC[C@@]1(C)OCc3c(OS(=O)(=O)O)ccc(OS(=O)(=O)O)c3C[C@H]21 | 10.1021/np50120a024 | ||
10022413 | 27451 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 376 | 9 | 2 | 4 | 5.0 | Nc1ccc(-c2cc(OCCCCCC(=O)O)nc(-c3ccccc3)c2)cc1 | 10.1021/jm00101a008 | ||
CHEMBL136991 | 27451 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 376 | 9 | 2 | 4 | 5.0 | Nc1ccc(-c2cc(OCCCCCC(=O)O)nc(-c3ccccc3)c2)cc1 | 10.1021/jm00101a008 | ||
10170399 | 14653 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 1018 | 33 | 4 | 16 | 7.6 | CC(C)(CCCCOc1cc(-c2ccccc2)cc(-c2ccccc2)n1)c1nnnn1CCCCC(=O)NCCCOCCOCCOCCCNC(=O)c1ccc(N/N=C/c2ccccc2S(=O)(=O)O)nc1 | 10.1021/jm050383h | ||
CHEMBL1207275 | 14653 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 1018 | 33 | 4 | 16 | 7.6 | CC(C)(CCCCOc1cc(-c2ccccc2)cc(-c2ccccc2)n1)c1nnnn1CCCCC(=O)NCCCOCCOCCOCCCNC(=O)c1ccc(N/N=C/c2ccccc2S(=O)(=O)O)nc1 | 10.1021/jm050383h | ||
CHEMBL384950 | 14653 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 1018 | 33 | 4 | 16 | 7.6 | CC(C)(CCCCOc1cc(-c2ccccc2)cc(-c2ccccc2)n1)c1nnnn1CCCCC(=O)NCCCOCCOCCOCCCNC(=O)c1ccc(N/N=C/c2ccccc2S(=O)(=O)O)nc1 | 10.1021/jm050383h | ||
15666610 | 7823 | 1 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 316 | 10 | 1 | 2 | 5.1 | O=C(O)CCCCCc1sccc1CCCc1ccccc1 | 10.1021/jm00095a011 | ||
CHEMBL109016 | 7823 | 1 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 316 | 10 | 1 | 2 | 5.1 | O=C(O)CCCCCc1sccc1CCCc1ccccc1 | 10.1021/jm00095a011 | ||
44385160 | 61023 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 387 | 6 | 2 | 3 | 5.0 | COc1ccc(C(=O)O)cc1NC(=O)/C=C/c1ccc(-c2ccccc2C)cc1 | 10.1016/S0960-894X(97)00134-0 | ||
CHEMBL176748 | 61023 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 387 | 6 | 2 | 3 | 5.0 | COc1ccc(C(=O)O)cc1NC(=O)/C=C/c1ccc(-c2ccccc2C)cc1 | 10.1016/S0960-894X(97)00134-0 | ||
19427041 | 14474 | 0 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 534 | 14 | 3 | 7 | 5.0 | CCc1cc(C(C)=O)c(O)cc1OCCCOc1ccc(C(=O)c2cccc(C(=O)O)c2)cc1CCC(=O)O | 10.1016/S0960-894X(01)80999-9 | ||
CHEMBL1205171 | 14474 | 0 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 534 | 14 | 3 | 7 | 5.0 | CCc1cc(C(C)=O)c(O)cc1OCCCOc1ccc(C(=O)c2cccc(C(=O)O)c2)cc1CCC(=O)O | 10.1016/S0960-894X(01)80999-9 | ||
CHEMBL60881 | 14474 | 0 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 534 | 14 | 3 | 7 | 5.0 | CCc1cc(C(C)=O)c(O)cc1OCCCOc1ccc(C(=O)c2cccc(C(=O)O)c2)cc1CCC(=O)O | 10.1016/S0960-894X(01)80999-9 | ||
10023244 | 25957 | 1 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 389 | 9 | 1 | 3 | 6.1 | CC(C)(CCCCOc1cc(-c2ccccc2)cc(-c2ccccc2)n1)C(=O)O | 10.1021/jm00101a008 | ||
CHEMBL135671 | 25957 | 1 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 389 | 9 | 1 | 3 | 6.1 | CC(C)(CCCCOc1cc(-c2ccccc2)cc(-c2ccccc2)n1)C(=O)O | 10.1021/jm00101a008 | ||
10047140 | 27400 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 409 | 9 | 1 | 3 | 6.3 | CC(CCCCOc1cc(-c2cccc(Cl)c2)cc(-c2ccccc2)n1)C(=O)O | 10.1021/jm00101a008 | ||
CHEMBL136960 | 27400 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 409 | 9 | 1 | 3 | 6.3 | CC(CCCCOc1cc(-c2cccc(Cl)c2)cc(-c2ccccc2)n1)C(=O)O | 10.1021/jm00101a008 | ||
10475503 | 27799 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 390 | 9 | 2 | 4 | 5.3 | CC(CCCCOc1cc(-c2ccc(N)cc2)cc(-c2ccccc2)n1)C(=O)O | 10.1021/jm00101a008 | ||
CHEMBL137247 | 27799 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 390 | 9 | 2 | 4 | 5.3 | CC(CCCCOc1cc(-c2ccc(N)cc2)cc(-c2ccccc2)n1)C(=O)O | 10.1021/jm00101a008 | ||
10318241 | 28136 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 390 | 10 | 2 | 4 | 5.5 | CNc1ccc(-c2cc(OCCCCCC(=O)O)nc(-c3ccccc3)c2)cc1 | 10.1021/jm00101a008 | ||
CHEMBL137472 | 28136 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 390 | 10 | 2 | 4 | 5.5 | CNc1ccc(-c2cc(OCCCCCC(=O)O)nc(-c3ccccc3)c2)cc1 | 10.1021/jm00101a008 | ||
10001576 | 28169 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 409 | 9 | 1 | 3 | 6.3 | CC(CCCCOc1cc(-c2ccc(Cl)cc2)cc(-c2ccccc2)n1)C(=O)O | 10.1021/jm00101a008 | ||
CHEMBL137494 | 28169 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 409 | 9 | 1 | 3 | 6.3 | CC(CCCCOc1cc(-c2ccc(Cl)cc2)cc(-c2ccccc2)n1)C(=O)O | 10.1021/jm00101a008 | ||
10436331 | 120033 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 509 | 13 | 2 | 7 | 5.0 | CCCc1c(OCCCOc2ccc(-c3c[nH]nn3)c(OC)c2CCC)ccc2c1OC(C(=O)O)CC2 | 10.1021/jm00006a002 | ||
CHEMBL354553 | 120033 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 509 | 13 | 2 | 7 | 5.0 | CCCc1c(OCCCOc2ccc(-c3c[nH]nn3)c(OC)c2CCC)ccc2c1OC(C(=O)O)CC2 | 10.1021/jm00006a002 | ||
15237280 | 57795 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 511 | 13 | 2 | 6 | 4.6 | CCCc1c(OCCCOc2ccc(C(=O)NC)c(OC)c2CC2CC2)ccc2c1OC(C(=O)O)CC2 | 10.1016/S0960-894X(01)80853-2 | ||
CHEMBL167474 | 57795 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 511 | 13 | 2 | 6 | 4.6 | CCCc1c(OCCCOc2ccc(C(=O)NC)c(OC)c2CC2CC2)ccc2c1OC(C(=O)O)CC2 | 10.1016/S0960-894X(01)80853-2 | ||
3368 | 1150 | 18 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 428 | 5 | 2 | 3 | 5.5 | OC(=O)C1(CCCC1)c1ccc2c(c1)OC[C@@H]([C@H]2O)Cc1ccc(cc1)c1ccccc1 | 10.1021/jm00046a001 | ||
9867257 | 1150 | 18 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 428 | 5 | 2 | 3 | 5.5 | OC(=O)C1(CCCC1)c1ccc2c(c1)OC[C@@H]([C@H]2O)Cc1ccc(cc1)c1ccccc1 | 10.1021/jm00046a001 | ||
CHEMBL51770 | 1150 | 18 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 428 | 5 | 2 | 3 | 5.5 | OC(=O)C1(CCCC1)c1ccc2c(c1)OC[C@@H]([C@H]2O)Cc1ccc(cc1)c1ccccc1 | 10.1021/jm00046a001 | ||
135543742 | 203677 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 410 | 11 | 3 | 5 | 4.2 | CCc1cc(-c2cc[nH]n2)c(O)cc1OCCCOc1cccc(CCC(=O)O)c1 | 10.1021/jm00041a021 | ||
CHEMBL79991 | 203677 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 410 | 11 | 3 | 5 | 4.2 | CCc1cc(-c2cc[nH]n2)c(O)cc1OCCCOc1cccc(CCC(=O)O)c1 | 10.1021/jm00041a021 | ||
44348541 | 16641 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 323 | 7 | 1 | 2 | 3.0 | CN(CCc1ccccc1)C(=O)Cc1cccc(/C=C/C(=O)O)c1 | 10.1021/jm9506985 | ||
CHEMBL124717 | 16641 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 323 | 7 | 1 | 2 | 3.0 | CN(CCc1ccccc1)C(=O)Cc1cccc(/C=C/C(=O)O)c1 | 10.1021/jm9506985 | ||
44357534 | 26535 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 385 | 9 | 0 | 6 | 4.7 | c1ccc(-c2cc(OCCCCCn3cnnn3)nc(-c3ccccc3)c2)cc1 | 10.1021/jm00101a008 | ||
CHEMBL136243 | 26535 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 385 | 9 | 0 | 6 | 4.7 | c1ccc(-c2cc(OCCCCCn3cnnn3)nc(-c3ccccc3)c2)cc1 | 10.1021/jm00101a008 | ||
10341135 | 29175 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 403 | 10 | 1 | 3 | 6.5 | CC(C)(CCCCCOc1cc(-c2ccccc2)cc(-c2ccccc2)n1)C(=O)O | 10.1021/jm00101a008 | ||
CHEMBL138380 | 29175 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 403 | 10 | 1 | 3 | 6.5 | CC(C)(CCCCCOc1cc(-c2ccccc2)cc(-c2ccccc2)n1)C(=O)O | 10.1021/jm00101a008 | ||
10427789 | 27732 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 347 | 8 | 1 | 3 | 5.0 | O=C(O)CCCCOc1cc(-c2ccccc2)cc(-c2ccccc2)n1 | 10.1021/jm00101a008 | ||
CHEMBL137201 | 27732 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 347 | 8 | 1 | 3 | 5.0 | O=C(O)CCCCOc1cc(-c2ccccc2)cc(-c2ccccc2)n1 | 10.1021/jm00101a008 | ||
10363959 | 28301 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 406 | 10 | 1 | 5 | 5.3 | O=C(O)CCCCCOc1cc(-c2ccc([N+](=O)[O-])cc2)cc(-c2ccccc2)n1 | 10.1021/jm00101a008 | ||
CHEMBL137594 | 28301 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 406 | 10 | 1 | 5 | 5.3 | O=C(O)CCCCCOc1cc(-c2ccc([N+](=O)[O-])cc2)cc(-c2ccccc2)n1 | 10.1021/jm00101a008 | ||
10387480 | 27803 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 421 | 8 | 1 | 5 | 5.6 | CC(C)(CCCCOc1cc(-c2ccc(Cl)cc2)c2ccccc2n1)c1nnn[nH]1 | 10.1021/jm00101a007 | ||
CHEMBL137248 | 27803 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 421 | 8 | 1 | 5 | 5.6 | CC(C)(CCCCOc1cc(-c2ccc(Cl)cc2)c2ccccc2n1)c1nnn[nH]1 | 10.1021/jm00101a007 | ||
11725988 | 27778 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 359 | 8 | 1 | 5 | 4.2 | c1ccc(-c2cc(OCCCCCc3nnn[nH]3)nc3ccccc23)cc1 | 10.1021/jm00101a007 | ||
CHEMBL137234 | 27778 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 359 | 8 | 1 | 5 | 4.2 | c1ccc(-c2cc(OCCCCCc3nnn[nH]3)nc3ccccc23)cc1 | 10.1021/jm00101a007 | ||
10340408 | 118060 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 391 | 10 | 1 | 4 | 5.4 | COc1cccc(-c2cc(-c3ccccc3)cc(OCCCCCC(=O)O)n2)c1 | 10.1021/jm00101a008 | ||
CHEMBL341565 | 118060 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 391 | 10 | 1 | 4 | 5.4 | COc1cccc(-c2cc(-c3ccccc3)cc(OCCCCCC(=O)O)n2)c1 | 10.1021/jm00101a008 | ||
18373300 | 118820 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 492 | 8 | 1 | 5 | 6.5 | COc1cc(C(=O)O)ccc1Cc1cn(C(c2ccccc2)c2ccccc2)c2ccc([N+](=O)[O-])cc12 | 10.1016/j.bmcl.2003.08.070 | ||
CHEMBL344176 | 118820 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 492 | 8 | 1 | 5 | 6.5 | COc1cc(C(=O)O)ccc1Cc1cn(C(c2ccccc2)c2ccccc2)c2ccc([N+](=O)[O-])cc12 | 10.1016/j.bmcl.2003.08.070 | ||
15666581 | 5572 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 346 | 11 | 2 | 3 | 5.2 | O=C(O)CCCCCCc1csc(CCCc2ccc(O)cc2)c1 | 10.1021/jm00095a011 | ||
CHEMBL107781 | 5572 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 346 | 11 | 2 | 3 | 5.2 | O=C(O)CCCCCCc1csc(CCCc2ccc(O)cc2)c1 | 10.1021/jm00095a011 | ||
10391552 | 119816 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 508 | 13 | 2 | 6 | 5.6 | CCCc1c(OCCCOc2ccc(-c3c[nH]cn3)c(OC)c2CCC)ccc2c1OC(C(=O)O)CC2 | 10.1021/jm00006a002 | ||
CHEMBL352863 | 119816 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 508 | 13 | 2 | 6 | 5.6 | CCCc1c(OCCCOc2ccc(-c3c[nH]cn3)c(OC)c2CCC)ccc2c1OC(C(=O)O)CC2 | 10.1021/jm00006a002 | ||
135507183 | 203929 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 396 | 10 | 3 | 5 | 3.8 | CCc1cc(-c2ccn[nH]2)c(O)cc1OCCCOc1ccc(CC(=O)O)cc1 | 10.1021/jm00041a021 | ||
CHEMBL81817 | 203929 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 396 | 10 | 3 | 5 | 3.8 | CCc1cc(-c2ccn[nH]2)c(O)cc1OCCCOc1ccc(CC(=O)O)cc1 | 10.1021/jm00041a021 | ||
44403823 | 161396 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 3125 | 109 | 25 | 54 | -4.2 | CC(C)(CCCCOc1cc(-c2ccccc2)cc(-c2ccccc2)n1)c1nnnn1CCCCC(=O)NCCCOCCOCCOCCCNC(=O)[C@H](CS(=O)(=O)O)NC(=O)[C@H](CS(=O)(=O)O)NC(=O)[C@H](CS(=O)(=O)O)NC(=O)[C@H](CS(=O)(=O)O)NC(=O)CC[C@H](NC(=O)CN(CCN(CCN(CC(=O)O)CC(=O)O)CC(=O)O)CC(=O)O)C(=O)N[C@@H](CS(=O)(=O)O)C(=O)N[C@@H](CS(=O)(=O)O)C(=O)N[C@@H](CS(=O)(=O)O)C(=O)N[C@@H](CS(=O)(=O)O)C(=O)NCCCOCCOCCOCCCNC(=O)CCCCn1nnnc1C(C)(C)CCCCOc1cc(-c2ccccc2)cc(-c2ccccc2)n1 | 10.1021/jm050383h | ||
CHEMBL415548 | 161396 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 3125 | 109 | 25 | 54 | -4.2 | CC(C)(CCCCOc1cc(-c2ccccc2)cc(-c2ccccc2)n1)c1nnnn1CCCCC(=O)NCCCOCCOCCOCCCNC(=O)[C@H](CS(=O)(=O)O)NC(=O)[C@H](CS(=O)(=O)O)NC(=O)[C@H](CS(=O)(=O)O)NC(=O)[C@H](CS(=O)(=O)O)NC(=O)CC[C@H](NC(=O)CN(CCN(CCN(CC(=O)O)CC(=O)O)CC(=O)O)CC(=O)O)C(=O)N[C@@H](CS(=O)(=O)O)C(=O)N[C@@H](CS(=O)(=O)O)C(=O)N[C@@H](CS(=O)(=O)O)C(=O)N[C@@H](CS(=O)(=O)O)C(=O)NCCCOCCOCCOCCCNC(=O)CCCCn1nnnc1C(C)(C)CCCCOc1cc(-c2ccccc2)cc(-c2ccccc2)n1 | 10.1021/jm050383h | ||
135507225 | 103744 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 424 | 12 | 3 | 5 | 4.6 | CCc1cc(-c2cc[nH]n2)c(O)cc1OCCCCCOc1ccc(CC(=O)O)cc1 | 10.1021/jm00041a021 | ||
CHEMBL309883 | 103744 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 424 | 12 | 3 | 5 | 4.6 | CCc1cc(-c2cc[nH]n2)c(O)cc1OCCCCCOc1ccc(CC(=O)O)cc1 | 10.1021/jm00041a021 | ||
10247237 | 28275 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 349 | 8 | 1 | 3 | 5.2 | CC(CCCCOc1cc(-c2ccccc2)c2ccccc2n1)C(=O)O | 10.1021/jm00101a007 | ||
CHEMBL137570 | 28275 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 349 | 8 | 1 | 3 | 5.2 | CC(CCCCOc1cc(-c2ccccc2)c2ccccc2n1)C(=O)O | 10.1021/jm00101a007 | ||
10032156 | 58708 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 647 | 16 | 1 | 8 | 8.6 | CCCc1c(OCCCOc2ccc(-c3csc(SCc4ccccc4)n3)c(OC)c2CCC)ccc2c1OC(C(=O)O)CC2 | 10.1021/jm00006a002 | ||
CHEMBL169246 | 58708 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 647 | 16 | 1 | 8 | 8.6 | CCCc1c(OCCCOc2ccc(-c3csc(SCc4ccccc4)n3)c(OC)c2CCC)ccc2c1OC(C(=O)O)CC2 | 10.1021/jm00006a002 | ||
9906324 | 14450 | 0 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 348 | 10 | 2 | 6 | 3.4 | CCc1cc(OC)c(O)cc1OCCCCCC(C)(C)c1nn[nH]n1 | 10.1016/S0960-894X(00)80453-9 | ||
CHEMBL1205046 | 14450 | 0 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 348 | 10 | 2 | 6 | 3.4 | CCc1cc(OC)c(O)cc1OCCCCCC(C)(C)c1nn[nH]n1 | 10.1016/S0960-894X(00)80453-9 | ||
CHEMBL46820 | 14450 | 0 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 348 | 10 | 2 | 6 | 3.4 | CCc1cc(OC)c(O)cc1OCCCCCC(C)(C)c1nn[nH]n1 | 10.1016/S0960-894X(00)80453-9 | ||
9906324 | 14450 | 0 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 348 | 10 | 2 | 6 | 3.4 | CCc1cc(OC)c(O)cc1OCCCCCC(C)(C)c1nn[nH]n1 | 10.1016/S0960-894X(00)80454-0 | ||
CHEMBL1205046 | 14450 | 0 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 348 | 10 | 2 | 6 | 3.4 | CCc1cc(OC)c(O)cc1OCCCCCC(C)(C)c1nn[nH]n1 | 10.1016/S0960-894X(00)80454-0 | ||
CHEMBL46820 | 14450 | 0 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 348 | 10 | 2 | 6 | 3.4 | CCc1cc(OC)c(O)cc1OCCCCCC(C)(C)c1nn[nH]n1 | 10.1016/S0960-894X(00)80454-0 | ||
9865985 | 28461 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 405 | 9 | 1 | 5 | 5.2 | O=C(O)CCCCCOc1cc(-c2ccc3c(c2)OCO3)cc(-c2ccccc2)n1 | 10.1021/jm00101a008 | ||
CHEMBL137759 | 28461 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 405 | 9 | 1 | 5 | 5.2 | O=C(O)CCCCCOc1cc(-c2ccc3c(c2)OCO3)cc(-c2ccccc2)n1 | 10.1021/jm00101a008 | ||
9978895 | 118471 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 409 | 9 | 1 | 3 | 6.3 | CC(CCCCOc1cc(-c2ccccc2)cc(-c2ccccc2Cl)n1)C(=O)O | 10.1021/jm00101a008 | ||
CHEMBL342416 | 118471 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 409 | 9 | 1 | 3 | 6.3 | CC(CCCCOc1cc(-c2ccccc2)cc(-c2ccccc2Cl)n1)C(=O)O | 10.1021/jm00101a008 | ||
6450158 | 186591 | 14 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 516 | 12 | 2 | 6 | 5.9 | COc1ccc(/C=C/CCCCOc2ccc3c(=O)c4cc(C(=O)O)ccc4oc3c2CCC(=O)O)cc1 | 10.1016/S0960-894X(01)80999-9 | ||
CHEMBL49210 | 186591 | 14 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 516 | 12 | 2 | 6 | 5.9 | COc1ccc(/C=C/CCCCOc2ccc3c(=O)c4cc(C(=O)O)ccc4oc3c2CCC(=O)O)cc1 | 10.1016/S0960-894X(01)80999-9 | ||
6450158 | 186591 | 14 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 516 | 12 | 2 | 6 | 5.9 | COc1ccc(/C=C/CCCCOc2ccc3c(=O)c4cc(C(=O)O)ccc4oc3c2CCC(=O)O)cc1 | 10.1021/jm00064a006 | ||
CHEMBL49210 | 186591 | 14 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 516 | 12 | 2 | 6 | 5.9 | COc1ccc(/C=C/CCCCOc2ccc3c(=O)c4cc(C(=O)O)ccc4oc3c2CCC(=O)O)cc1 | 10.1021/jm00064a006 | ||
135516891 | 156974 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 384 | 10 | 3 | 6 | 3.8 | CCc1cc(-c2cc[nH]n2)c(O)cc1OCCCCCC(C)(C)c1nnn[nH]1 | 10.1021/jm00041a021 | ||
CHEMBL407983 | 156974 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 384 | 10 | 3 | 6 | 3.8 | CCc1cc(-c2cc[nH]n2)c(O)cc1OCCCCCC(C)(C)c1nnn[nH]1 | 10.1021/jm00041a021 | ||
18963040 | 14699 | 0 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 404 | 14 | 2 | 6 | 5.0 | CCCCCOc1cc(CC)c(OCCCCCC(C)(C)c2nn[nH]n2)cc1O | 10.1016/S0960-894X(00)80453-9 | ||
CHEMBL1207571 | 14699 | 0 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 404 | 14 | 2 | 6 | 5.0 | CCCCCOc1cc(CC)c(OCCCCCC(C)(C)c2nn[nH]n2)cc1O | 10.1016/S0960-894X(00)80453-9 | ||
CHEMBL416259 | 14699 | 0 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 404 | 14 | 2 | 6 | 5.0 | CCCCCOc1cc(CC)c(OCCCCCC(C)(C)c2nn[nH]n2)cc1O | 10.1016/S0960-894X(00)80453-9 | ||
10364772 | 27949 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 419 | 9 | 1 | 5 | 5.4 | CC(CCCCOc1cc(-c2ccc3c(c2)OCO3)cc(-c2ccccc2)n1)C(=O)O | 10.1021/jm00101a008 | ||
CHEMBL137341 | 27949 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 419 | 9 | 1 | 5 | 5.4 | CC(CCCCOc1cc(-c2ccc3c(c2)OCO3)cc(-c2ccccc2)n1)C(=O)O | 10.1021/jm00101a008 | ||
10092630 | 27613 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 404 | 9 | 2 | 4 | 5.7 | CC(C)(CCCCOc1cc(-c2ccc(N)cc2)cc(-c2ccccc2)n1)C(=O)O | 10.1021/jm00101a008 | ||
CHEMBL137104 | 27613 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 404 | 9 | 2 | 4 | 5.7 | CC(C)(CCCCOc1cc(-c2ccc(N)cc2)cc(-c2ccccc2)n1)C(=O)O | 10.1021/jm00101a008 | ||
132425 | 6787 | 4 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 358 | 11 | 1 | 2 | 6.1 | CC(C)(CCCCCc1sccc1CCCc1ccccc1)C(=O)O | 10.1021/jm00095a011 | ||
CHEMBL108415 | 6787 | 4 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 358 | 11 | 1 | 2 | 6.1 | CC(C)(CCCCCc1sccc1CCCc1ccccc1)C(=O)O | 10.1021/jm00095a011 | ||
11799000 | 16986 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 482 | 9 | 1 | 4 | 5.1 | CN(O)C(=O)c1cc(CC(=O)N(C)CCc2ccccc2)c2cccc(OCc3ccccc3)c2c1 | 10.1021/jm950699x | ||
CHEMBL125611 | 16986 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 482 | 9 | 1 | 4 | 5.1 | CN(O)C(=O)c1cc(CC(=O)N(C)CCc2ccccc2)c2cccc(OCc3ccccc3)c2c1 | 10.1021/jm950699x | ||
10319829 | 25913 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 417 | 11 | 1 | 3 | 6.9 | CC(C)(CCCCCCOc1cc(-c2ccccc2)cc(-c2ccccc2)n1)C(=O)O | 10.1021/jm00101a008 | ||
CHEMBL135612 | 25913 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 417 | 11 | 1 | 3 | 6.9 | CC(C)(CCCCCCOc1cc(-c2ccccc2)cc(-c2ccccc2)n1)C(=O)O | 10.1021/jm00101a008 | ||
10363959 | 28301 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 406 | 10 | 1 | 5 | 5.3 | O=C(O)CCCCCOc1cc(-c2ccc([N+](=O)[O-])cc2)cc(-c2ccccc2)n1 | 10.1021/jm00101a008 | ||
CHEMBL137594 | 28301 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 406 | 10 | 1 | 5 | 5.3 | O=C(O)CCCCCOc1cc(-c2ccc([N+](=O)[O-])cc2)cc(-c2ccccc2)n1 | 10.1021/jm00101a008 | ||
15666631 | 8003 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 346 | 11 | 2 | 3 | 5.0 | O=C(O)CCCCCC(O)c1sccc1CCCc1ccccc1 | 10.1021/jm00095a011 | ||
CHEMBL109128 | 8003 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 346 | 11 | 2 | 3 | 5.0 | O=C(O)CCCCCC(O)c1sccc1CCCc1ccccc1 | 10.1021/jm00095a011 | ||
44379572 | 119794 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 540 | 10 | 2 | 4 | 5.3 | CN(C)C(=O)CC1(O)CCCC(/C=C/C(O)CCCCc2ccc(N=[N+]=[N-])c(I)c2)C1 | 10.1016/s0960-894x(00)00103-7 | ||
CHEMBL352717 | 119794 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 540 | 10 | 2 | 4 | 5.3 | CN(C)C(=O)CC1(O)CCCC(/C=C/C(O)CCCCc2ccc(N=[N+]=[N-])c(I)c2)C1 | 10.1016/s0960-894x(00)00103-7 | ||
9849151 | 58787 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 508 | 13 | 2 | 6 | 5.6 | CCCc1c(OCCCOc2ccc(-c3cc[nH]n3)c(OC)c2CCC)ccc2c1OC(C(=O)O)CC2 | 10.1021/jm00006a002 | ||
CHEMBL169683 | 58787 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 508 | 13 | 2 | 6 | 5.6 | CCCc1c(OCCCOc2ccc(-c3cc[nH]n3)c(OC)c2CCC)ccc2c1OC(C(=O)O)CC2 | 10.1021/jm00006a002 | ||
15839731 | 49186 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 430 | 13 | 2 | 6 | 4.4 | CCCc1c(OCCCOc2cc(O)c(C(C)=O)cc2CC)cccc1OCC(=O)O | 10.1016/S0960-894X(00)80304-2 | ||
CHEMBL15648 | 49186 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 430 | 13 | 2 | 6 | 4.4 | CCCc1c(OCCCOc2cc(O)c(C(C)=O)cc2CC)cccc1OCC(=O)O | 10.1016/S0960-894X(00)80304-2 | ||
10339300 | 129703 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 373 | 6 | 2 | 3 | 4.7 | COc1ccc(C(=O)O)cc1NC(=O)/C=C/c1ccc(-c2ccccc2)cc1 | 10.1016/S0960-894X(97)00134-0 | ||
CHEMBL367943 | 129703 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 373 | 6 | 2 | 3 | 4.7 | COc1ccc(C(=O)O)cc1NC(=O)/C=C/c1ccc(-c2ccccc2)cc1 | 10.1016/S0960-894X(97)00134-0 | ||
10341242 | 27942 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 405 | 10 | 1 | 4 | 5.7 | COc1cccc(-c2cc(OCCCCC(C)C(=O)O)nc(-c3ccccc3)c2)c1 | 10.1021/jm00101a008 | ||
CHEMBL137336 | 27942 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 405 | 10 | 1 | 4 | 5.7 | COc1cccc(-c2cc(OCCCCC(C)C(=O)O)nc(-c3ccccc3)c2)c1 | 10.1021/jm00101a008 | ||
10477988 | 27932 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 433 | 9 | 1 | 5 | 5.8 | CC(C)(CCCCOc1cc(-c2ccc3c(c2)OCO3)cc(-c2ccccc2)n1)C(=O)O | 10.1021/jm00101a008 | ||
CHEMBL137330 | 27932 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 433 | 9 | 1 | 5 | 5.8 | CC(C)(CCCCOc1cc(-c2ccc3c(c2)OCO3)cc(-c2ccccc2)n1)C(=O)O | 10.1021/jm00101a008 | ||
44357546 | 116253 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 399 | 9 | 0 | 6 | 5.2 | CC(CCCCOc1cc(-c2ccccc2)cc(-c2ccccc2)n1)n1cnnn1 | 10.1021/jm00101a008 | ||
CHEMBL337563 | 116253 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 399 | 9 | 0 | 6 | 5.2 | CC(CCCCOc1cc(-c2ccccc2)cc(-c2ccccc2)n1)n1cnnn1 | 10.1021/jm00101a008 | ||
9911868 | 17850 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 455 | 11 | 1 | 7 | 4.9 | COc1cc(C(=O)N(C(C)C)C(C)C)ccc1OCCCCOc1ccc2c(N)noc2c1 | 10.1016/S0960-894X(97)00025-5 | ||
CHEMBL126463 | 17850 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 455 | 11 | 1 | 7 | 4.9 | COc1cc(C(=O)N(C(C)C)C(C)C)ccc1OCCCCOc1ccc2c(N)noc2c1 | 10.1016/S0960-894X(97)00025-5 | ||
15666586 | 108080 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 344 | 11 | 1 | 2 | 5.8 | Cc1cc(CCCCCCC(=O)O)c(CCCc2ccccc2)s1 | 10.1021/jm00095a011 | ||
CHEMBL320258 | 108080 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 344 | 11 | 1 | 2 | 5.8 | Cc1cc(CCCCCCC(=O)O)c(CCCc2ccccc2)s1 | 10.1021/jm00095a011 | ||
44379573 | 57794 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 414 | 10 | 2 | 4 | 4.7 | CN(C)C(=O)CC1(O)CCCC(/C=C/C(O)CCCCc2ccc(N=[N+]=[N-])cc2)C1 | 10.1016/s0960-894x(00)00103-7 | ||
CHEMBL167465 | 57794 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 414 | 10 | 2 | 4 | 4.7 | CN(C)C(=O)CC1(O)CCCC(/C=C/C(O)CCCCc2ccc(N=[N+]=[N-])cc2)C1 | 10.1016/s0960-894x(00)00103-7 | ||
10019853 | 28324 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 335 | 8 | 1 | 3 | 4.9 | O=C(O)CCCCCOc1cc(-c2ccccc2)c2ccccc2n1 | 10.1021/jm00101a007 | ||
CHEMBL137625 | 28324 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 335 | 8 | 1 | 3 | 4.9 | O=C(O)CCCCCOc1cc(-c2ccccc2)c2ccccc2n1 | 10.1021/jm00101a007 | ||
10337448 | 27897 | 1 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 342 | 8 | 0 | 3 | 5.9 | N#CCCCCCOc1cc(-c2ccccc2)cc(-c2ccccc2)n1 | 10.1021/jm00101a008 | ||
CHEMBL137307 | 27897 | 1 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 342 | 8 | 0 | 3 | 5.9 | N#CCCCCCOc1cc(-c2ccccc2)cc(-c2ccccc2)n1 | 10.1021/jm00101a008 | ||
9841175 | 14480 | 0 | None | - | 0 | Human | 4.2 | pIC50 | = | 4.2 | Binding | ChEMBL | 346 | 9 | 3 | 3 | 3.7 | O=C(O)C[C@]1(O)CCC[C@H](/C=C/C(O)CCCCc2ccccc2)C1 | 10.1016/0960-894X(96)00424-6 | ||
CHEMBL1205297 | 14480 | 0 | None | - | 0 | Human | 4.2 | pIC50 | = | 4.2 | Binding | ChEMBL | 346 | 9 | 3 | 3 | 3.7 | O=C(O)C[C@]1(O)CCC[C@H](/C=C/C(O)CCCCc2ccccc2)C1 | 10.1016/0960-894X(96)00424-6 | ||
CHEMBL77513 | 14480 | 0 | None | - | 0 | Human | 4.2 | pIC50 | = | 4.2 | Binding | ChEMBL | 346 | 9 | 3 | 3 | 3.7 | O=C(O)C[C@]1(O)CCC[C@H](/C=C/C(O)CCCCc2ccccc2)C1 | 10.1016/0960-894X(96)00424-6 | ||
44315539 | 14628 | 0 | None | - | 0 | Human | 4.2 | pIC50 | = | 4.2 | Binding | ChEMBL | 312 | 10 | 3 | 3 | 3.7 | CCCCCC(O)/C=C/[C@H]1CCC[C@@](O)(CCCC(=O)O)C1 | 10.1016/0960-894X(96)00424-6 | ||
CHEMBL1206776 | 14628 | 0 | None | - | 0 | Human | 4.2 | pIC50 | = | 4.2 | Binding | ChEMBL | 312 | 10 | 3 | 3 | 3.7 | CCCCCC(O)/C=C/[C@H]1CCC[C@@](O)(CCCC(=O)O)C1 | 10.1016/0960-894X(96)00424-6 | ||
CHEMBL305933 | 14628 | 0 | None | - | 0 | Human | 4.2 | pIC50 | = | 4.2 | Binding | ChEMBL | 312 | 10 | 3 | 3 | 3.7 | CCCCCC(O)/C=C/[C@H]1CCC[C@@](O)(CCCC(=O)O)C1 | 10.1016/0960-894X(96)00424-6 | ||
135430350 | 167491 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 452 | 13 | 3 | 5 | 5.2 | CCCc1ccc(CCC(=O)O)cc1OCCCOc1cc(O)c(-c2cc[nH]n2)cc1CC | 10.1021/jm00041a021 | ||
CHEMBL432363 | 167491 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 452 | 13 | 3 | 5 | 5.2 | CCCc1ccc(CCC(=O)O)cc1OCCCOc1cc(O)c(-c2cc[nH]n2)cc1CC | 10.1021/jm00041a021 | ||
10021742 | 9365 | 4 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 365 | 4 | 1 | 7 | 2.6 | Cn1c(N)nc(Cc2ccc3c(c2)OCO3)c1Cc1ccc2c(c1)OCO2 | 10.1021/np50100a005 | ||
CHEMBL111825 | 9365 | 4 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 365 | 4 | 1 | 7 | 2.6 | Cn1c(N)nc(Cc2ccc3c(c2)OCO3)c1Cc1ccc2c(c1)OCO2 | 10.1021/np50100a005 | ||
10349070 | 130366 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 630 | 16 | 2 | 7 | 7.9 | CCCc1c(OCCCOc2ccc(-c3c[nH]c(SCc4ccccc4)n3)c(OC)c2CCC)ccc2c1OC(C(=O)O)CC2 | 10.1021/jm00006a002 | ||
CHEMBL368540 | 130366 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 630 | 16 | 2 | 7 | 7.9 | CCCc1c(OCCCOc2ccc(-c3c[nH]c(SCc4ccccc4)n3)c(OC)c2CCC)ccc2c1OC(C(=O)O)CC2 | 10.1021/jm00006a002 | ||
10481412 | 59473 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 509 | 13 | 1 | 7 | 5.9 | CCCc1c(OCCCOc2ccc(-c3ccno3)c(OC)c2CCC)ccc2c1OC(C(=O)O)CC2 | 10.1021/jm00006a002 | ||
CHEMBL172628 | 59473 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 509 | 13 | 1 | 7 | 5.9 | CCCc1c(OCCCOc2ccc(-c3ccno3)c(OC)c2CCC)ccc2c1OC(C(=O)O)CC2 | 10.1021/jm00006a002 | ||
44384957 | 165685 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 389 | 7 | 2 | 4 | 4.3 | COc1ccc(C(=O)O)cc1NC(=O)CC(=O)c1ccc(-c2ccccc2)cc1 | 10.1016/S0960-894X(97)00134-0 | ||
CHEMBL426773 | 165685 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 389 | 7 | 2 | 4 | 4.3 | COc1ccc(C(=O)O)cc1NC(=O)CC(=O)c1ccc(-c2ccccc2)cc1 | 10.1016/S0960-894X(97)00134-0 | ||
44403368 | 160780 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 2750 | 92 | 21 | 47 | -1.6 | CC(C)(CCCCOc1cc(-c2ccccc2)cc(-c2ccccc2)n1)c1nnnn1CCCCC(=O)NCCCOCCOCCOCCCNC(=O)[C@H](CS(=O)(=O)O)NC(=O)[C@H](CS(=O)(=O)O)NC(=O)[C@H](CS(=O)(=O)O)NC(=O)[C@H](CS(=O)(=O)O)NC(=O)CC[C@H](N)C(=O)N[C@@H](CS(=O)(=O)O)C(=O)N[C@@H](CS(=O)(=O)O)C(=O)N[C@@H](CS(=O)(=O)O)C(=O)N[C@@H](CS(=O)(=O)O)C(=O)NCCCOCCOCCOCCCNC(=O)CCCCn1nnnc1C(C)(C)CCCCOc1cc(-c2ccccc2)cc(-c2ccccc2)n1 | 10.1021/jm050383h | ||
CHEMBL412510 | 160780 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 2750 | 92 | 21 | 47 | -1.6 | CC(C)(CCCCOc1cc(-c2ccccc2)cc(-c2ccccc2)n1)c1nnnn1CCCCC(=O)NCCCOCCOCCOCCCNC(=O)[C@H](CS(=O)(=O)O)NC(=O)[C@H](CS(=O)(=O)O)NC(=O)[C@H](CS(=O)(=O)O)NC(=O)[C@H](CS(=O)(=O)O)NC(=O)CC[C@H](N)C(=O)N[C@@H](CS(=O)(=O)O)C(=O)N[C@@H](CS(=O)(=O)O)C(=O)N[C@@H](CS(=O)(=O)O)C(=O)N[C@@H](CS(=O)(=O)O)C(=O)NCCCOCCOCCOCCCNC(=O)CCCCn1nnnc1C(C)(C)CCCCOc1cc(-c2ccccc2)cc(-c2ccccc2)n1 | 10.1021/jm050383h | ||
3368 | 1150 | 18 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 428 | 5 | 2 | 3 | 5.5 | OC(=O)C1(CCCC1)c1ccc2c(c1)OC[C@@H]([C@H]2O)Cc1ccc(cc1)c1ccccc1 | 10.1021/jm960088k | ||
9867257 | 1150 | 18 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 428 | 5 | 2 | 3 | 5.5 | OC(=O)C1(CCCC1)c1ccc2c(c1)OC[C@@H]([C@H]2O)Cc1ccc(cc1)c1ccccc1 | 10.1021/jm960088k | ||
CHEMBL51770 | 1150 | 18 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 428 | 5 | 2 | 3 | 5.5 | OC(=O)C1(CCCC1)c1ccc2c(c1)OC[C@@H]([C@H]2O)Cc1ccc(cc1)c1ccccc1 | 10.1021/jm960088k | ||
9958915 | 57815 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 539 | 15 | 2 | 6 | 5.4 | CCCc1c(OCCCOc2ccc(C(=O)NC)c(OC)c2CC2CC2)ccc2c1O[C@@H](CCC(=O)O)CC2 | 10.1016/S0960-894X(01)80853-2 | ||
CHEMBL167669 | 57815 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 539 | 15 | 2 | 6 | 5.4 | CCCc1c(OCCCOc2ccc(C(=O)NC)c(OC)c2CC2CC2)ccc2c1O[C@@H](CCC(=O)O)CC2 | 10.1016/S0960-894X(01)80853-2 | ||
10741106 | 117299 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 426 | 9 | 0 | 4 | 4.7 | CN(CCc1ccccc1)C(=O)Cn1cc(C=O)c2cc(OCc3ccccc3)ccc21 | 10.1021/jm950699x | ||
CHEMBL340180 | 117299 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 426 | 9 | 0 | 4 | 4.7 | CN(CCc1ccccc1)C(=O)Cn1cc(C=O)c2cc(OCc3ccccc3)ccc21 | 10.1021/jm950699x | ||
15666623 | 167233 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 434 | 12 | 1 | 2 | 7.8 | CC(C)(CCCCCc1sc(-c2ccccc2)cc1CCCc1ccccc1)C(=O)O | 10.1021/jm00095a011 | ||
CHEMBL430520 | 167233 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 434 | 12 | 1 | 2 | 7.8 | CC(C)(CCCCCc1sc(-c2ccccc2)cc1CCCc1ccccc1)C(=O)O | 10.1021/jm00095a011 | ||
9841175 | 14480 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 346 | 9 | 3 | 3 | 3.7 | O=C(O)C[C@]1(O)CCC[C@H](/C=C/C(O)CCCCc2ccccc2)C1 | 10.1016/0960-894X(96)00424-6 | ||
CHEMBL1205297 | 14480 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 346 | 9 | 3 | 3 | 3.7 | O=C(O)C[C@]1(O)CCC[C@H](/C=C/C(O)CCCCc2ccccc2)C1 | 10.1016/0960-894X(96)00424-6 | ||
CHEMBL77513 | 14480 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 346 | 9 | 3 | 3 | 3.7 | O=C(O)C[C@]1(O)CCC[C@H](/C=C/C(O)CCCCc2ccccc2)C1 | 10.1016/0960-894X(96)00424-6 | ||
11740566 | 118942 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 381 | 8 | 1 | 3 | 5.7 | CC(C)(CCCCOc1cc(-c2ccccc2F)c2ccccc2n1)C(=O)O | 10.1021/jm00101a007 | ||
CHEMBL345047 | 118942 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 381 | 8 | 1 | 3 | 5.7 | CC(C)(CCCCOc1cc(-c2ccccc2F)c2ccccc2n1)C(=O)O | 10.1021/jm00101a007 | ||
9934500 | 165049 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 472 | 7 | 1 | 4 | 6.4 | COc1cc(C(=O)O)ccc1Cc1cn(C(c2ccccc2)c2ccccc2)c2ccc(C#N)cc12 | 10.1016/j.bmcl.2003.08.070 | ||
CHEMBL424290 | 165049 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 472 | 7 | 1 | 4 | 6.4 | COc1cc(C(=O)O)ccc1Cc1cn(C(c2ccccc2)c2ccccc2)c2ccc(C#N)cc12 | 10.1016/j.bmcl.2003.08.070 | ||
44315583 | 14479 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 284 | 8 | 3 | 3 | 2.9 | CCCCCC(O)/C=C/[C@H]1CCC[C@@](O)(CC(=O)O)C1 | 10.1016/0960-894X(96)00424-6 | ||
CHEMBL1205289 | 14479 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 284 | 8 | 3 | 3 | 2.9 | CCCCCC(O)/C=C/[C@H]1CCC[C@@](O)(CC(=O)O)C1 | 10.1016/0960-894X(96)00424-6 | ||
CHEMBL76530 | 14479 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 284 | 8 | 3 | 3 | 2.9 | CCCCCC(O)/C=C/[C@H]1CCC[C@@](O)(CC(=O)O)C1 | 10.1016/0960-894X(96)00424-6 | ||
9976891 | 27956 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 377 | 8 | 1 | 3 | 5.9 | Cc1c(OCCCCC(C)(C)C(=O)O)nc2ccccc2c1-c1ccccc1 | 10.1021/jm00101a007 | ||
CHEMBL137346 | 27956 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 377 | 8 | 1 | 3 | 5.9 | Cc1c(OCCCCC(C)(C)C(=O)O)nc2ccccc2c1-c1ccccc1 | 10.1021/jm00101a007 | ||
135543741 | 203884 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 410 | 11 | 3 | 5 | 4.7 | CCc1cc(-c2cc[nH]n2)c(O)cc1OCCCCCOc1ccc(C(=O)O)cc1 | 10.1021/jm00041a021 | ||
CHEMBL81489 | 203884 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 410 | 11 | 3 | 5 | 4.7 | CCc1cc(-c2cc[nH]n2)c(O)cc1OCCCCCOc1ccc(C(=O)O)cc1 | 10.1021/jm00041a021 | ||
44385920 | 61053 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 343 | 5 | 2 | 2 | 4.7 | O=C(/C=C/c1ccc(-c2ccccc2)cc1)Nc1ccccc1C(=O)O | 10.1016/S0960-894X(97)00134-0 | ||
CHEMBL176974 | 61053 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 343 | 5 | 2 | 2 | 4.7 | O=C(/C=C/c1ccc(-c2ccccc2)cc1)Nc1ccccc1C(=O)O | 10.1016/S0960-894X(97)00134-0 | ||
15718085 | 100875 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 468 | 14 | 2 | 5 | 6.2 | CCCCCCCCCCOc1cc2oc3ccc(C(=O)O)cc3c(=O)c2cc1CCC(=O)O | 10.1021/jm00064a006 | ||
CHEMBL296869 | 100875 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 468 | 14 | 2 | 5 | 6.2 | CCCCCCCCCCOc1cc2oc3ccc(C(=O)O)cc3c(=O)c2cc1CCC(=O)O | 10.1021/jm00064a006 | ||
135507273 | 203584 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 452 | 13 | 3 | 5 | 5.2 | CCCc1c(CCC(=O)O)cccc1OCCCOc1cc(O)c(-c2cc[nH]n2)cc1CC | 10.1021/jm00041a021 | ||
CHEMBL79233 | 203584 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 452 | 13 | 3 | 5 | 5.2 | CCCc1c(CCC(=O)O)cccc1OCCCOc1cc(O)c(-c2cc[nH]n2)cc1CC | 10.1021/jm00041a021 | ||
122023 | 50523 | 56 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 360 | 10 | 2 | 6 | 3.6 | CCc1cc(C(C)=O)c(O)cc1OCCCCCC(C)(C)c1nn[nH]n1 | 10.1016/S0960-894X(01)80999-9 | ||
CHEMBL15766 | 50523 | 56 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 360 | 10 | 2 | 6 | 3.6 | CCc1cc(C(C)=O)c(O)cc1OCCCCCC(C)(C)c1nn[nH]n1 | 10.1016/S0960-894X(01)80999-9 | ||
CHEMBL45460 | 50523 | 56 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 360 | 10 | 2 | 6 | 3.6 | CCc1cc(C(C)=O)c(O)cc1OCCCCCC(C)(C)c1nn[nH]n1 | 10.1016/S0960-894X(01)80999-9 | ||
4534 | 191305 | 89 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 302 | 5 | 4 | 4 | 3.6 | CC(Cc1ccc(O)c(O)c1)C(C)Cc1ccc(O)c(O)c1 | 10.1021/jm00085a019 | ||
CHEMBL52 | 191305 | 89 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 302 | 5 | 4 | 4 | 3.6 | CC(Cc1ccc(O)c(O)c1)C(C)Cc1ccc(O)c(O)c1 | 10.1021/jm00085a019 | ||
122023 | 50523 | 56 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 360 | 10 | 2 | 6 | 3.6 | CCc1cc(C(C)=O)c(O)cc1OCCCCCC(C)(C)c1nn[nH]n1 | 10.1016/S0960-894X(00)80453-9 | ||
CHEMBL15766 | 50523 | 56 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 360 | 10 | 2 | 6 | 3.6 | CCc1cc(C(C)=O)c(O)cc1OCCCCCC(C)(C)c1nn[nH]n1 | 10.1016/S0960-894X(00)80453-9 | ||
CHEMBL45460 | 50523 | 56 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 360 | 10 | 2 | 6 | 3.6 | CCc1cc(C(C)=O)c(O)cc1OCCCCCC(C)(C)c1nn[nH]n1 | 10.1016/S0960-894X(00)80453-9 | ||
122023 | 50523 | 56 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 360 | 10 | 2 | 6 | 3.6 | CCc1cc(C(C)=O)c(O)cc1OCCCCCC(C)(C)c1nn[nH]n1 | 10.1016/S0960-894X(00)80304-2 | ||
CHEMBL15766 | 50523 | 56 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 360 | 10 | 2 | 6 | 3.6 | CCc1cc(C(C)=O)c(O)cc1OCCCCCC(C)(C)c1nn[nH]n1 | 10.1016/S0960-894X(00)80304-2 | ||
CHEMBL45460 | 50523 | 56 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 360 | 10 | 2 | 6 | 3.6 | CCc1cc(C(C)=O)c(O)cc1OCCCCCC(C)(C)c1nn[nH]n1 | 10.1016/S0960-894X(00)80304-2 | ||
122023 | 50523 | 56 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 360 | 10 | 2 | 6 | 3.6 | CCc1cc(C(C)=O)c(O)cc1OCCCCCC(C)(C)c1nn[nH]n1 | 10.1021/jm00041a021 | ||
CHEMBL15766 | 50523 | 56 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 360 | 10 | 2 | 6 | 3.6 | CCc1cc(C(C)=O)c(O)cc1OCCCCCC(C)(C)c1nn[nH]n1 | 10.1021/jm00041a021 | ||
CHEMBL45460 | 50523 | 56 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 360 | 10 | 2 | 6 | 3.6 | CCc1cc(C(C)=O)c(O)cc1OCCCCCC(C)(C)c1nn[nH]n1 | 10.1021/jm00041a021 | ||
135500104 | 163221 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 410 | 11 | 3 | 5 | 4.2 | CCc1cc(-c2cc[nH]n2)c(O)cc1OCCCOc1ccc(CCC(=O)O)cc1 | 10.1021/jm00041a021 | ||
CHEMBL420576 | 163221 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 410 | 11 | 3 | 5 | 4.2 | CCc1cc(-c2cc[nH]n2)c(O)cc1OCCCOc1ccc(CCC(=O)O)cc1 | 10.1021/jm00041a021 | ||
10347709 | 58793 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 557 | 13 | 2 | 8 | 6.6 | CCCc1c(OCCCOc2ccc(-c3csc(S)n3)c(OC)c2CCC)ccc2c1OC(C(=O)O)CC2 | 10.1021/jm00006a002 | ||
CHEMBL169722 | 58793 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 557 | 13 | 2 | 8 | 6.6 | CCCc1c(OCCCOc2ccc(-c3csc(S)n3)c(OC)c2CCC)ccc2c1OC(C(=O)O)CC2 | 10.1021/jm00006a002 | ||
135457469 | 105160 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 398 | 10 | 2 | 7 | 3.8 | CCc1cc(-c2ccn(C)n2)c(O)cc1OCCCCCC(C)(C)c1nnn[nH]1 | 10.1021/jm00041a021 | ||
CHEMBL312483 | 105160 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 398 | 10 | 2 | 7 | 3.8 | CCc1cc(-c2ccn(C)n2)c(O)cc1OCCCCCC(C)(C)c1nnn[nH]1 | 10.1021/jm00041a021 | ||
10092630 | 27613 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 404 | 9 | 2 | 4 | 5.7 | CC(C)(CCCCOc1cc(-c2ccc(N)cc2)cc(-c2ccccc2)n1)C(=O)O | 10.1021/jm00101a008 | ||
CHEMBL137104 | 27613 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 404 | 9 | 2 | 4 | 5.7 | CC(C)(CCCCOc1cc(-c2ccc(N)cc2)cc(-c2ccccc2)n1)C(=O)O | 10.1021/jm00101a008 | ||
10737187 | 15344 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 359 | 8 | 0 | 2 | 4.5 | CN(CCc1ccccc1)C(=O)Cc1ccc(OCc2ccccc2)cc1 | 10.1021/jm9506985 | ||
CHEMBL121748 | 15344 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 359 | 8 | 0 | 2 | 4.5 | CN(CCc1ccccc1)C(=O)Cc1ccc(OCc2ccccc2)cc1 | 10.1021/jm9506985 | ||
18373357 | 116293 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 461 | 7 | 1 | 3 | 6.9 | COc1cc(C(=O)O)ccc1Cc1cn(C(c2ccccc2)c2ccccc2)c2ccc(C)cc12 | 10.1016/j.bmcl.2003.08.070 | ||
CHEMBL337790 | 116293 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 461 | 7 | 1 | 3 | 6.9 | COc1cc(C(=O)O)ccc1Cc1cn(C(c2ccccc2)c2ccccc2)c2ccc(C)cc12 | 10.1016/j.bmcl.2003.08.070 | ||
44386171 | 61045 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 377 | 5 | 2 | 2 | 5.4 | O=C(/C=C/c1ccc(-c2ccccc2)cc1)Nc1cc(C(=O)O)ccc1Cl | 10.1016/S0960-894X(97)00134-0 | ||
CHEMBL176903 | 61045 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 377 | 5 | 2 | 2 | 5.4 | O=C(/C=C/c1ccc(-c2ccccc2)cc1)Nc1cc(C(=O)O)ccc1Cl | 10.1016/S0960-894X(97)00134-0 | ||
10052575 | 58646 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 525 | 13 | 1 | 7 | 6.4 | CCCc1c(OCCCOc2ccc(-c3cscn3)c(OC)c2CCC)ccc2c1OC(C(=O)O)CC2 | 10.1021/jm00006a002 | ||
CHEMBL168944 | 58646 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 525 | 13 | 1 | 7 | 6.4 | CCCc1c(OCCCOc2ccc(-c3cscn3)c(OC)c2CCC)ccc2c1OC(C(=O)O)CC2 | 10.1021/jm00006a002 | ||
44385966 | 60105 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 387 | 6 | 2 | 3 | 4.8 | COc1ccc(C(=O)O)cc1NC(=O)[C@H]1C[C@@H]1c1ccc(-c2ccccc2)cc1 | 10.1016/S0960-894X(97)00134-0 | ||
CHEMBL175128 | 60105 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 387 | 6 | 2 | 3 | 4.8 | COc1ccc(C(=O)O)cc1NC(=O)[C@H]1C[C@@H]1c1ccc(-c2ccccc2)cc1 | 10.1016/S0960-894X(97)00134-0 | ||
192617 | 100284 | 16 | None | - | 1 | Human | 10.4 | pKi | = | 10.4 | Binding | ChEMBL | 600 | 12 | 3 | 7 | 6.6 | CCc1cc(-c2ccc(F)cc2)c(O)cc1OCCCOc1ccc2c(=O)c3cc(C(=O)O)ccc3oc2c1CCC(=O)O | 10.1016/S0960-894X(01)80105-0 | ||
CHEMBL292782 | 100284 | 16 | None | - | 1 | Human | 10.4 | pKi | = | 10.4 | Binding | ChEMBL | 600 | 12 | 3 | 7 | 6.6 | CCc1cc(-c2ccc(F)cc2)c(O)cc1OCCCOc1ccc2c(=O)c3cc(C(=O)O)ccc3oc2c1CCC(=O)O | 10.1016/S0960-894X(01)80105-0 | ||
192617 | 100284 | 16 | None | - | 1 | Human | 10.4 | pKi | = | 10.4 | Binding | ChEMBL | 600 | 12 | 3 | 7 | 6.6 | CCc1cc(-c2ccc(F)cc2)c(O)cc1OCCCOc1ccc2c(=O)c3cc(C(=O)O)ccc3oc2c1CCC(=O)O | 10.1021/jm00076a030 | ||
CHEMBL292782 | 100284 | 16 | None | - | 1 | Human | 10.4 | pKi | = | 10.4 | Binding | ChEMBL | 600 | 12 | 3 | 7 | 6.6 | CCc1cc(-c2ccc(F)cc2)c(O)cc1OCCCOc1ccc2c(=O)c3cc(C(=O)O)ccc3oc2c1CCC(=O)O | 10.1021/jm00076a030 | ||
19600933 | 201112 | 0 | None | - | 1 | Human | 10.1 | pKi | = | 10.1 | Binding | ChEMBL | 534 | 13 | 3 | 5 | 5.8 | CCc1cc(-c2ccc(F)cc2)c(O)cc1OCCCOc1ccc(C#CCCC(=O)O)cc1CCC(=O)O | 10.1016/S0960-894X(01)80105-0 | ||
CHEMBL62265 | 201112 | 0 | None | - | 1 | Human | 10.1 | pKi | = | 10.1 | Binding | ChEMBL | 534 | 13 | 3 | 5 | 5.8 | CCc1cc(-c2ccc(F)cc2)c(O)cc1OCCCOc1ccc(C#CCCC(=O)O)cc1CCC(=O)O | 10.1016/S0960-894X(01)80105-0 | ||
10745838 | 117559 | 0 | None | - | 1 | Human | 10.0 | pKi | = | 10.0 | Binding | ChEMBL | 582 | 12 | 3 | 7 | 6.4 | CCc1cc(-c2ccccc2)c(O)cc1OCCCOc1ccc2c(=O)c3cc(C(=O)O)ccc3oc2c1CCC(=O)O | 10.1021/jm00076a030 | ||
CHEMBL340460 | 117559 | 0 | None | - | 1 | Human | 10.0 | pKi | = | 10.0 | Binding | ChEMBL | 582 | 12 | 3 | 7 | 6.4 | CCc1cc(-c2ccccc2)c(O)cc1OCCCOc1ccc2c(=O)c3cc(C(=O)O)ccc3oc2c1CCC(=O)O | 10.1021/jm00076a030 | ||
2487 | 2336 | 32 | None | 31 | 2 | Human | 9.9 | pKi | = | 9.9 | Binding | ChEMBL | 336 | 14 | 3 | 3 | 4.2 | CCCCC/C=C\C[C@H](/C=C/C=C/C=C\[C@H](CCCC(=O)O)O)O | 10.1016/S0960-894X(01)80999-9 | ||
5280492 | 2336 | 32 | None | 31 | 2 | Human | 9.9 | pKi | = | 9.9 | Binding | ChEMBL | 336 | 14 | 3 | 3 | 4.2 | CCCCC/C=C\C[C@H](/C=C/C=C/C=C\[C@H](CCCC(=O)O)O)O | 10.1016/S0960-894X(01)80999-9 | ||
CHEMBL65061 | 2336 | 32 | None | 31 | 2 | Human | 9.9 | pKi | = | 9.9 | Binding | ChEMBL | 336 | 14 | 3 | 3 | 4.2 | CCCCC/C=C\C[C@H](/C=C/C=C/C=C\[C@H](CCCC(=O)O)O)O | 10.1016/S0960-894X(01)80999-9 | ||
DB12961 | 2336 | 32 | None | 31 | 2 | Human | 9.9 | pKi | = | 9.9 | Binding | ChEMBL | 336 | 14 | 3 | 3 | 4.2 | CCCCC/C=C\C[C@H](/C=C/C=C/C=C\[C@H](CCCC(=O)O)O)O | 10.1016/S0960-894X(01)80999-9 | ||
2487 | 2336 | 32 | None | 31 | 2 | Human | 9.9 | pKi | = | 9.9 | Binding | ChEMBL | 336 | 14 | 3 | 3 | 4.2 | CCCCC/C=C\C[C@H](/C=C/C=C/C=C\[C@H](CCCC(=O)O)O)O | 10.1016/S0960-894X(01)80105-0 | ||
5280492 | 2336 | 32 | None | 31 | 2 | Human | 9.9 | pKi | = | 9.9 | Binding | ChEMBL | 336 | 14 | 3 | 3 | 4.2 | CCCCC/C=C\C[C@H](/C=C/C=C/C=C\[C@H](CCCC(=O)O)O)O | 10.1016/S0960-894X(01)80105-0 | ||
CHEMBL65061 | 2336 | 32 | None | 31 | 2 | Human | 9.9 | pKi | = | 9.9 | Binding | ChEMBL | 336 | 14 | 3 | 3 | 4.2 | CCCCC/C=C\C[C@H](/C=C/C=C/C=C\[C@H](CCCC(=O)O)O)O | 10.1016/S0960-894X(01)80105-0 | ||
DB12961 | 2336 | 32 | None | 31 | 2 | Human | 9.9 | pKi | = | 9.9 | Binding | ChEMBL | 336 | 14 | 3 | 3 | 4.2 | CCCCC/C=C\C[C@H](/C=C/C=C/C=C\[C@H](CCCC(=O)O)O)O | 10.1016/S0960-894X(01)80105-0 | ||
2487 | 2336 | 32 | None | 31 | 2 | Human | 9.9 | pKi | = | 9.9 | Binding | ChEMBL | 336 | 14 | 3 | 3 | 4.2 | CCCCC/C=C\C[C@H](/C=C/C=C/C=C\[C@H](CCCC(=O)O)O)O | 10.1021/jm00076a030 | ||
5280492 | 2336 | 32 | None | 31 | 2 | Human | 9.9 | pKi | = | 9.9 | Binding | ChEMBL | 336 | 14 | 3 | 3 | 4.2 | CCCCC/C=C\C[C@H](/C=C/C=C/C=C\[C@H](CCCC(=O)O)O)O | 10.1021/jm00076a030 | ||
CHEMBL65061 | 2336 | 32 | None | 31 | 2 | Human | 9.9 | pKi | = | 9.9 | Binding | ChEMBL | 336 | 14 | 3 | 3 | 4.2 | CCCCC/C=C\C[C@H](/C=C/C=C/C=C\[C@H](CCCC(=O)O)O)O | 10.1021/jm00076a030 | ||
DB12961 | 2336 | 32 | None | 31 | 2 | Human | 9.9 | pKi | = | 9.9 | Binding | ChEMBL | 336 | 14 | 3 | 3 | 4.2 | CCCCC/C=C\C[C@H](/C=C/C=C/C=C\[C@H](CCCC(=O)O)O)O | 10.1021/jm00076a030 | ||
132379 | 111240 | 13 | None | - | 1 | Human | 9.9 | pKi | = | 9.9 | Binding | ChEMBL | 453 | 9 | 1 | 3 | 5.4 | CN(CCc1ccccc1)C(=O)Cc1cc(C(=O)O)cc2c(OCc3ccccc3)cccc12 | 10.1021/jm00100a034 | ||
CHEMBL328712 | 111240 | 13 | None | - | 1 | Human | 9.9 | pKi | = | 9.9 | Binding | ChEMBL | 453 | 9 | 1 | 3 | 5.4 | CN(CCc1ccccc1)C(=O)Cc1cc(C(=O)O)cc2c(OCc3ccccc3)cccc12 | 10.1021/jm00100a034 | ||
10120811 | 96005 | 0 | None | - | 1 | Human | 9.9 | pKi | = | 9.9 | Binding | ChEMBL | 574 | 14 | 3 | 6 | 7.1 | CCc1cc(-c2ccc(F)cc2)c(O)cc1OCCCOc1cccc(Oc2ccc(C(=O)O)cc2)c1CCC(=O)O | 10.1016/S0960-894X(01)80105-0 | ||
CHEMBL262231 | 96005 | 0 | None | - | 1 | Human | 9.9 | pKi | = | 9.9 | Binding | ChEMBL | 574 | 14 | 3 | 6 | 7.1 | CCc1cc(-c2ccc(F)cc2)c(O)cc1OCCCOc1cccc(Oc2ccc(C(=O)O)cc2)c1CCC(=O)O | 10.1016/S0960-894X(01)80105-0 | ||
192617 | 100284 | 16 | None | - | 1 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 600 | 12 | 3 | 7 | 6.6 | CCc1cc(-c2ccc(F)cc2)c(O)cc1OCCCOc1ccc2c(=O)c3cc(C(=O)O)ccc3oc2c1CCC(=O)O | 10.1021/jm00046a017 | ||
CHEMBL292782 | 100284 | 16 | None | - | 1 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 600 | 12 | 3 | 7 | 6.6 | CCc1cc(-c2ccc(F)cc2)c(O)cc1OCCCOc1ccc2c(=O)c3cc(C(=O)O)ccc3oc2c1CCC(=O)O | 10.1021/jm00046a017 | ||
192617 | 100284 | 16 | None | - | 1 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 600 | 12 | 3 | 7 | 6.6 | CCc1cc(-c2ccc(F)cc2)c(O)cc1OCCCOc1ccc2c(=O)c3cc(C(=O)O)ccc3oc2c1CCC(=O)O | 10.1021/jm960088k | ||
CHEMBL292782 | 100284 | 16 | None | - | 1 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 600 | 12 | 3 | 7 | 6.6 | CCc1cc(-c2ccc(F)cc2)c(O)cc1OCCCOc1ccc2c(=O)c3cc(C(=O)O)ccc3oc2c1CCC(=O)O | 10.1021/jm960088k | ||
192617 | 100284 | 16 | None | - | 1 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 600 | 12 | 3 | 7 | 6.6 | CCc1cc(-c2ccc(F)cc2)c(O)cc1OCCCOc1ccc2c(=O)c3cc(C(=O)O)ccc3oc2c1CCC(=O)O | 10.1016/S0960-894X(01)80105-0 | ||
CHEMBL292782 | 100284 | 16 | None | - | 1 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 600 | 12 | 3 | 7 | 6.6 | CCc1cc(-c2ccc(F)cc2)c(O)cc1OCCCOc1ccc2c(=O)c3cc(C(=O)O)ccc3oc2c1CCC(=O)O | 10.1016/S0960-894X(01)80105-0 | ||
192617 | 100284 | 16 | None | - | 1 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 600 | 12 | 3 | 7 | 6.6 | CCc1cc(-c2ccc(F)cc2)c(O)cc1OCCCOc1ccc2c(=O)c3cc(C(=O)O)ccc3oc2c1CCC(=O)O | 10.1021/jm00076a030 | ||
CHEMBL292782 | 100284 | 16 | None | - | 1 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 600 | 12 | 3 | 7 | 6.6 | CCc1cc(-c2ccc(F)cc2)c(O)cc1OCCCOc1ccc2c(=O)c3cc(C(=O)O)ccc3oc2c1CCC(=O)O | 10.1021/jm00076a030 | ||
10745838 | 117559 | 0 | None | - | 1 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 582 | 12 | 3 | 7 | 6.4 | CCc1cc(-c2ccccc2)c(O)cc1OCCCOc1ccc2c(=O)c3cc(C(=O)O)ccc3oc2c1CCC(=O)O | 10.1021/jm00076a030 | ||
CHEMBL340460 | 117559 | 0 | None | - | 1 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 582 | 12 | 3 | 7 | 6.4 | CCc1cc(-c2ccccc2)c(O)cc1OCCCOc1ccc2c(=O)c3cc(C(=O)O)ccc3oc2c1CCC(=O)O | 10.1021/jm00076a030 | ||
6441619 | 205055 | 13 | None | - | 1 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 459 | 9 | 1 | 4 | 6.4 | O=C(O)/C=C/c1nc(CSc2c(Cl)cccc2Cl)ccc1OCCc1ccccc1 | 10.1021/jm960248s | ||
CHEMBL90214 | 205055 | 13 | None | - | 1 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 459 | 9 | 1 | 4 | 6.4 | O=C(O)/C=C/c1nc(CSc2c(Cl)cccc2Cl)ccc1OCCc1ccccc1 | 10.1021/jm960248s | ||
6441619 | 205055 | 13 | None | - | 1 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 459 | 9 | 1 | 4 | 6.4 | O=C(O)/C=C/c1nc(CSc2c(Cl)cccc2Cl)ccc1OCCc1ccccc1 | 10.1021/jm960088k | ||
CHEMBL90214 | 205055 | 13 | None | - | 1 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 459 | 9 | 1 | 4 | 6.4 | O=C(O)/C=C/c1nc(CSc2c(Cl)cccc2Cl)ccc1OCCc1ccccc1 | 10.1021/jm960088k | ||
9850643 | 205952 | 0 | None | - | 1 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 554 | 19 | 2 | 6 | 6.4 | CCCc1c(OCCCCCCc2cccc(OCCCCC(=O)O)c2CCC(=O)O)ccc2c1OCCC2=O | 10.1021/jm00046a017 | ||
CHEMBL95453 | 205952 | 0 | None | - | 1 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 554 | 19 | 2 | 6 | 6.4 | CCCc1c(OCCCCCCc2cccc(OCCCCC(=O)O)c2CCC(=O)O)ccc2c1OCCC2=O | 10.1021/jm00046a017 | ||
15658147 | 9493 | 0 | None | - | 1 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 411 | 13 | 3 | 4 | 5.2 | CCCCCCCCC(O)/C=C/c1cccc(CC(O)c2cccc(C(=O)O)c2)n1 | 10.1021/jm00074a013 | ||
CHEMBL112487 | 9493 | 0 | None | - | 1 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 411 | 13 | 3 | 4 | 5.2 | CCCCCCCCC(O)/C=C/c1cccc(CC(O)c2cccc(C(=O)O)c2)n1 | 10.1021/jm00074a013 | ||
CHEMBL112520 | 9493 | 0 | None | - | 1 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 411 | 13 | 3 | 4 | 5.2 | CCCCCCCCC(O)/C=C/c1cccc(CC(O)c2cccc(C(=O)O)c2)n1 | 10.1021/jm00074a013 | ||
9850974 | 204544 | 0 | None | - | 1 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 568 | 20 | 2 | 6 | 6.8 | CCCc1c(OCCCCCCc2cccc(OCCCCCC(=O)O)c2CCC(=O)O)ccc2c1OCCC2=O | 10.1021/jm960088k | ||
CHEMBL86900 | 204544 | 0 | None | - | 1 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 568 | 20 | 2 | 6 | 6.8 | CCCc1c(OCCCCCCc2cccc(OCCCCCC(=O)O)c2CCC(=O)O)ccc2c1OCCC2=O | 10.1021/jm960088k | ||
15658147 | 9493 | 0 | None | - | 1 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 411 | 13 | 3 | 4 | 5.2 | CCCCCCCCC(O)/C=C/c1cccc(CC(O)c2cccc(C(=O)O)c2)n1 | 10.1021/jm00074a012 | ||
CHEMBL112487 | 9493 | 0 | None | - | 1 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 411 | 13 | 3 | 4 | 5.2 | CCCCCCCCC(O)/C=C/c1cccc(CC(O)c2cccc(C(=O)O)c2)n1 | 10.1021/jm00074a012 | ||
CHEMBL112520 | 9493 | 0 | None | - | 1 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 411 | 13 | 3 | 4 | 5.2 | CCCCCCCCC(O)/C=C/c1cccc(CC(O)c2cccc(C(=O)O)c2)n1 | 10.1021/jm00074a012 | ||
10120811 | 96005 | 0 | None | - | 1 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 574 | 14 | 3 | 6 | 7.1 | CCc1cc(-c2ccc(F)cc2)c(O)cc1OCCCOc1cccc(Oc2ccc(C(=O)O)cc2)c1CCC(=O)O | 10.1016/S0960-894X(01)80105-0 | ||
CHEMBL262231 | 96005 | 0 | None | - | 1 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 574 | 14 | 3 | 6 | 7.1 | CCc1cc(-c2ccc(F)cc2)c(O)cc1OCCCOc1cccc(Oc2ccc(C(=O)O)cc2)c1CCC(=O)O | 10.1016/S0960-894X(01)80105-0 | ||
19600933 | 201112 | 0 | None | - | 1 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 534 | 13 | 3 | 5 | 5.8 | CCc1cc(-c2ccc(F)cc2)c(O)cc1OCCCOc1ccc(C#CCCC(=O)O)cc1CCC(=O)O | 10.1016/S0960-894X(01)80105-0 | ||
CHEMBL62265 | 201112 | 0 | None | - | 1 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 534 | 13 | 3 | 5 | 5.8 | CCc1cc(-c2ccc(F)cc2)c(O)cc1OCCCOc1ccc(C#CCCC(=O)O)cc1CCC(=O)O | 10.1016/S0960-894X(01)80105-0 | ||
9893718 | 204775 | 0 | None | - | 1 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 548 | 12 | 3 | 8 | 5.0 | CCc1cc(C(C)=O)c(O)cc1OCCCOc1ccc2c(=O)c3cc(C(=O)O)ccc3oc2c1CCC(=O)O | 10.1016/S0960-894X(01)80999-9 | ||
CHEMBL292768 | 204775 | 0 | None | - | 1 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 548 | 12 | 3 | 8 | 5.0 | CCc1cc(C(C)=O)c(O)cc1OCCCOc1ccc2c(=O)c3cc(C(=O)O)ccc3oc2c1CCC(=O)O | 10.1016/S0960-894X(01)80999-9 | ||
CHEMBL88337 | 204775 | 0 | None | - | 1 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 548 | 12 | 3 | 8 | 5.0 | CCc1cc(C(C)=O)c(O)cc1OCCCOc1ccc2c(=O)c3cc(C(=O)O)ccc3oc2c1CCC(=O)O | 10.1016/S0960-894X(01)80999-9 | ||
10529082 | 18630 | 0 | None | - | 1 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 489 | 10 | 1 | 5 | 6.4 | COc1ccc(CCOc2ccc(CSc3c(Cl)cccc3Cl)nc2/C=C/C(=O)O)cc1 | 10.1021/jm960248s | ||
CHEMBL127913 | 18630 | 0 | None | - | 1 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 489 | 10 | 1 | 5 | 6.4 | COc1ccc(CCOc2ccc(CSc3c(Cl)cccc3Cl)nc2/C=C/C(=O)O)cc1 | 10.1021/jm960248s | ||
9893718 | 204775 | 0 | None | - | 1 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 548 | 12 | 3 | 8 | 5.0 | CCc1cc(C(C)=O)c(O)cc1OCCCOc1ccc2c(=O)c3cc(C(=O)O)ccc3oc2c1CCC(=O)O | 10.1021/jm00076a030 | ||
CHEMBL292768 | 204775 | 0 | None | - | 1 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 548 | 12 | 3 | 8 | 5.0 | CCc1cc(C(C)=O)c(O)cc1OCCCOc1ccc2c(=O)c3cc(C(=O)O)ccc3oc2c1CCC(=O)O | 10.1021/jm00076a030 | ||
CHEMBL88337 | 204775 | 0 | None | - | 1 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 548 | 12 | 3 | 8 | 5.0 | CCc1cc(C(C)=O)c(O)cc1OCCCOc1ccc2c(=O)c3cc(C(=O)O)ccc3oc2c1CCC(=O)O | 10.1021/jm00076a030 | ||
204058 | 162907 | 5 | None | - | 1 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 539 | 15 | 2 | 6 | 5.4 | CCCc1c(OCCCOc2ccc(C(=O)NC)c(OC)c2CC2CC2)ccc2c1O[C@H](CCC(=O)O)CC2 | 10.1021/jm00046a017 | ||
CHEMBL419948 | 162907 | 5 | None | - | 1 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 539 | 15 | 2 | 6 | 5.4 | CCCc1c(OCCCOc2ccc(C(=O)NC)c(OC)c2CC2CC2)ccc2c1O[C@H](CCC(=O)O)CC2 | 10.1021/jm00046a017 | ||
10529241 | 18326 | 0 | None | - | 1 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 493 | 9 | 1 | 4 | 7.1 | O=C(O)/C=C/c1nc(CSc2c(Cl)cccc2Cl)ccc1OCCc1ccc(Cl)cc1 | 10.1021/jm960248s | ||
CHEMBL127376 | 18326 | 0 | None | - | 1 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 493 | 9 | 1 | 4 | 7.1 | O=C(O)/C=C/c1nc(CSc2c(Cl)cccc2Cl)ccc1OCCc1ccc(Cl)cc1 | 10.1021/jm960248s | ||
10648186 | 17983 | 0 | None | - | 1 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 473 | 10 | 1 | 4 | 6.8 | O=C(O)/C=C/c1nc(CSc2c(Cl)cccc2Cl)ccc1OCCCc1ccccc1 | 10.1021/jm960248s | ||
CHEMBL126976 | 17983 | 0 | None | - | 1 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 473 | 10 | 1 | 4 | 6.8 | O=C(O)/C=C/c1nc(CSc2c(Cl)cccc2Cl)ccc1OCCCc1ccccc1 | 10.1021/jm960248s | ||
11798848 | 16355 | 0 | None | - | 1 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 477 | 9 | 1 | 4 | 6.5 | O=C(O)/C=C/c1nc(CSc2c(Cl)cccc2Cl)ccc1OCCc1ccc(F)cc1 | 10.1021/jm960248s | ||
CHEMBL123722 | 16355 | 0 | None | - | 1 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 477 | 9 | 1 | 4 | 6.5 | O=C(O)/C=C/c1nc(CSc2c(Cl)cccc2Cl)ccc1OCCc1ccc(F)cc1 | 10.1021/jm960248s | ||
9958441 | 116334 | 0 | None | - | 1 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 517 | 12 | 1 | 5 | 7.2 | COc1ccc(CCCCOc2ccc(CSc3c(Cl)cccc3Cl)nc2/C=C/C(=O)O)cc1 | 10.1021/jm960248s | ||
CHEMBL337995 | 116334 | 0 | None | - | 1 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 517 | 12 | 1 | 5 | 7.2 | COc1ccc(CCCCOc2ccc(CSc3c(Cl)cccc3Cl)nc2/C=C/C(=O)O)cc1 | 10.1021/jm960248s | ||
2487 | 2336 | 32 | None | 31 | 2 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 336 | 14 | 3 | 3 | 4.2 | CCCCC/C=C\C[C@H](/C=C/C=C/C=C\[C@H](CCCC(=O)O)O)O | 10.1016/S0960-894X(01)80105-0 | ||
5280492 | 2336 | 32 | None | 31 | 2 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 336 | 14 | 3 | 3 | 4.2 | CCCCC/C=C\C[C@H](/C=C/C=C/C=C\[C@H](CCCC(=O)O)O)O | 10.1016/S0960-894X(01)80105-0 | ||
CHEMBL65061 | 2336 | 32 | None | 31 | 2 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 336 | 14 | 3 | 3 | 4.2 | CCCCC/C=C\C[C@H](/C=C/C=C/C=C\[C@H](CCCC(=O)O)O)O | 10.1016/S0960-894X(01)80105-0 | ||
DB12961 | 2336 | 32 | None | 31 | 2 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 336 | 14 | 3 | 3 | 4.2 | CCCCC/C=C\C[C@H](/C=C/C=C/C=C\[C@H](CCCC(=O)O)O)O | 10.1016/S0960-894X(01)80105-0 | ||
2487 | 2336 | 32 | None | 31 | 2 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 336 | 14 | 3 | 3 | 4.2 | CCCCC/C=C\C[C@H](/C=C/C=C/C=C\[C@H](CCCC(=O)O)O)O | 10.1021/jm00076a030 | ||
5280492 | 2336 | 32 | None | 31 | 2 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 336 | 14 | 3 | 3 | 4.2 | CCCCC/C=C\C[C@H](/C=C/C=C/C=C\[C@H](CCCC(=O)O)O)O | 10.1021/jm00076a030 | ||
CHEMBL65061 | 2336 | 32 | None | 31 | 2 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 336 | 14 | 3 | 3 | 4.2 | CCCCC/C=C\C[C@H](/C=C/C=C/C=C\[C@H](CCCC(=O)O)O)O | 10.1021/jm00076a030 | ||
DB12961 | 2336 | 32 | None | 31 | 2 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 336 | 14 | 3 | 3 | 4.2 | CCCCC/C=C\C[C@H](/C=C/C=C/C=C\[C@H](CCCC(=O)O)O)O | 10.1021/jm00076a030 | ||
18963032 | 100623 | 0 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 444 | 11 | 2 | 6 | 4.5 | CCCc1c(OCCCOc2cc(O)c(OC)cc2CC)ccc2c1OC(C(=O)O)CC2 | 10.1016/S0960-894X(00)80454-0 | ||
CHEMBL294987 | 100623 | 0 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 444 | 11 | 2 | 6 | 4.5 | CCCc1c(OCCCOc2cc(O)c(OC)cc2CC)ccc2c1OC(C(=O)O)CC2 | 10.1016/S0960-894X(00)80454-0 | ||
44340787 | 14412 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 435 | 12 | 3 | 4 | 6.0 | CCCCCCCCC(O)c1ccc2ccc(CC(O)c3cccc(C(=O)O)c3)nc2c1 | 10.1021/jm00074a012 | ||
CHEMBL1204561 | 14412 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 435 | 12 | 3 | 4 | 6.0 | CCCCCCCCC(O)c1ccc2ccc(CC(O)c3cccc(C(=O)O)c3)nc2c1 | 10.1021/jm00074a012 | ||
CHEMBL326397 | 14412 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 435 | 12 | 3 | 4 | 6.0 | CCCCCCCCC(O)c1ccc2ccc(CC(O)c3cccc(C(=O)O)c3)nc2c1 | 10.1021/jm00074a012 | ||
15839729 | 205161 | 1 | None | - | 1 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 456 | 11 | 2 | 6 | 4.7 | CCCc1c(OCCCOc2cc(O)c(C(C)=O)cc2CC)ccc2c1OC(C(=O)O)CC2 | 10.1016/S0960-894X(00)80304-2 | ||
CHEMBL15559 | 205161 | 1 | None | - | 1 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 456 | 11 | 2 | 6 | 4.7 | CCCc1c(OCCCOc2cc(O)c(C(C)=O)cc2CC)ccc2c1OC(C(=O)O)CC2 | 10.1016/S0960-894X(00)80304-2 | ||
CHEMBL90788 | 205161 | 1 | None | - | 1 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 456 | 11 | 2 | 6 | 4.7 | CCCc1c(OCCCOc2cc(O)c(C(C)=O)cc2CC)ccc2c1OC(C(=O)O)CC2 | 10.1016/S0960-894X(00)80304-2 | ||
10046307 | 14627 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 374 | 12 | 2 | 5 | 4.7 | CCCCc1cc(CC)c(OCCCCCC(C)(C)c2nn[nH]n2)cc1O | 10.1016/0960-894X(95)00340-Y | ||
CHEMBL1206771 | 14627 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 374 | 12 | 2 | 5 | 4.7 | CCCCc1cc(CC)c(OCCCCCC(C)(C)c2nn[nH]n2)cc1O | 10.1016/0960-894X(95)00340-Y | ||
CHEMBL305560 | 14627 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 374 | 12 | 2 | 5 | 4.7 | CCCCc1cc(CC)c(OCCCCCC(C)(C)c2nn[nH]n2)cc1O | 10.1016/0960-894X(95)00340-Y | ||
15658110 | 14405 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 419 | 12 | 2 | 3 | 6.5 | CCCCCCCCC(O)c1ccc2ccc(CCc3cccc(C(=O)O)c3)nc2c1 | 10.1021/jm00074a012 | ||
CHEMBL113528 | 14405 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 419 | 12 | 2 | 3 | 6.5 | CCCCCCCCC(O)c1ccc2ccc(CCc3cccc(C(=O)O)c3)nc2c1 | 10.1021/jm00074a012 | ||
CHEMBL1204495 | 14405 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 419 | 12 | 2 | 3 | 6.5 | CCCCCCCCC(O)c1ccc2ccc(CCc3cccc(C(=O)O)c3)nc2c1 | 10.1021/jm00074a012 | ||
15658157 | 14406 | 0 | None | - | 1 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 449 | 12 | 3 | 5 | 4.9 | CCCCOc1cccc(C(O)CCc2cccc(CC(O)c3cccc(C(=O)O)c3)n2)c1 | 10.1021/jm00074a012 | ||
CHEMBL114454 | 14406 | 0 | None | - | 1 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 449 | 12 | 3 | 5 | 4.9 | CCCCOc1cccc(C(O)CCc2cccc(CC(O)c3cccc(C(=O)O)c3)n2)c1 | 10.1021/jm00074a012 | ||
CHEMBL1204496 | 14406 | 0 | None | - | 1 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 449 | 12 | 3 | 5 | 4.9 | CCCCOc1cccc(C(O)CCc2cccc(CC(O)c3cccc(C(=O)O)c3)n2)c1 | 10.1021/jm00074a012 | ||
10037501 | 184141 | 3 | None | - | 1 | Human | 4.0 | pKi | = | 4 | Binding | ChEMBL | 245 | 1 | 1 | 5 | 0.5 | CN1C(=O)/C(=C/c2ccc3c(c2)OCO3)N=C1N | 10.1021/np50100a005 | ||
CHEMBL485053 | 184141 | 3 | None | - | 1 | Human | 4.0 | pKi | = | 4 | Binding | ChEMBL | 245 | 1 | 1 | 5 | 0.5 | CN1C(=O)/C(=C/c2ccc3c(c2)OCO3)N=C1N | 10.1021/np50100a005 | ||
18963059 | 14455 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 402 | 11 | 2 | 6 | 4.7 | CCc1cc(OC2CCCC2)c(O)cc1OCCCCCC(C)(C)c1nn[nH]n1 | 10.1016/S0960-894X(00)80453-9 | ||
CHEMBL1205055 | 14455 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 402 | 11 | 2 | 6 | 4.7 | CCc1cc(OC2CCCC2)c(O)cc1OCCCCCC(C)(C)c1nn[nH]n1 | 10.1016/S0960-894X(00)80453-9 | ||
CHEMBL47726 | 14455 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 402 | 11 | 2 | 6 | 4.7 | CCc1cc(OC2CCCC2)c(O)cc1OCCCCCC(C)(C)c1nn[nH]n1 | 10.1016/S0960-894X(00)80453-9 | ||
14977959 | 9396 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 506 | 15 | 2 | 5 | 6.0 | Nc1cccc([S+]([O-])Cc2ccc(OCCCCCCCCc3ccccc3)c(/C=C/C(=O)O)n2)c1 | 10.1021/jm00074a013 | ||
CHEMBL112018 | 9396 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 506 | 15 | 2 | 5 | 6.0 | Nc1cccc([S+]([O-])Cc2ccc(OCCCCCCCCc3ccccc3)c(/C=C/C(=O)O)n2)c1 | 10.1021/jm00074a013 | ||
18963030 | 14454 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 442 | 12 | 2 | 6 | 5.1 | CCc1cc(OCc2ccc(F)cc2)c(O)cc1OCCCCCC(C)(C)c1nn[nH]n1 | 10.1016/S0960-894X(00)80453-9 | ||
CHEMBL1205054 | 14454 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 442 | 12 | 2 | 6 | 5.1 | CCc1cc(OCc2ccc(F)cc2)c(O)cc1OCCCCCC(C)(C)c1nn[nH]n1 | 10.1016/S0960-894X(00)80453-9 | ||
CHEMBL47725 | 14454 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 442 | 12 | 2 | 6 | 5.1 | CCc1cc(OCc2ccc(F)cc2)c(O)cc1OCCCCCC(C)(C)c1nn[nH]n1 | 10.1016/S0960-894X(00)80453-9 | ||
21765776 | 163139 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 563 | 18 | 2 | 6 | 7.3 | COc1ccc(CCCCCCCCOc2ccc(CSCc3ccccc3C(=O)O)nc2/C=C/C(=O)O)cc1 | 10.1021/jm00046a017 | ||
CHEMBL420488 | 163139 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 563 | 18 | 2 | 6 | 7.3 | COc1ccc(CCCCCCCCOc2ccc(CSCc3ccccc3C(=O)O)nc2/C=C/C(=O)O)cc1 | 10.1021/jm00046a017 | ||
14977907 | 9459 | 0 | None | - | 1 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 483 | 18 | 2 | 5 | 6.8 | CCCCCCCCCCCCOc1ccc(COc2cccc(C(=O)O)c2)nc1/C=C/C(=O)O | 10.1021/jm00074a013 | ||
CHEMBL112310 | 9459 | 0 | None | - | 1 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 483 | 18 | 2 | 5 | 6.8 | CCCCCCCCCCCCOc1ccc(COc2cccc(C(=O)O)c2)nc1/C=C/C(=O)O | 10.1021/jm00074a013 | ||
14977965 | 110861 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 524 | 15 | 2 | 5 | 6.2 | Nc1cccc([S+]([O-])Cc2ccc(OCCCCCCCCc3ccc(F)cc3)c(/C=C/C(=O)O)n2)c1 | 10.1021/jm00074a013 | ||
CHEMBL326909 | 110861 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 524 | 15 | 2 | 5 | 6.2 | Nc1cccc([S+]([O-])Cc2ccc(OCCCCCCCCc3ccc(F)cc3)c(/C=C/C(=O)O)n2)c1 | 10.1021/jm00074a013 | ||
11798329 | 18319 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 463 | 8 | 1 | 4 | 6.5 | O=C(O)/C=C/c1nc(CSc2c(Cl)cccc2Cl)ccc1OCc1ccc(F)cc1 | 10.1021/jm960248s | ||
CHEMBL127341 | 18319 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 463 | 8 | 1 | 4 | 6.5 | O=C(O)/C=C/c1nc(CSc2c(Cl)cccc2Cl)ccc1OCc1ccc(F)cc1 | 10.1021/jm960248s | ||
11800543 | 19194 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 538 | 11 | 2 | 6 | 6.7 | CCc1cc(-c2ccccc2)c(O)cc1OCCCOc1ccc2c(=O)c3ccccc3oc2c1CCC(=O)O | 10.1021/jm00076a030 | ||
CHEMBL129272 | 19194 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 538 | 11 | 2 | 6 | 6.7 | CCc1cc(-c2ccccc2)c(O)cc1OCCCOc1ccc2c(=O)c3ccccc3oc2c1CCC(=O)O | 10.1021/jm00076a030 | ||
122023 | 50523 | 56 | None | - | 1 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 360 | 10 | 2 | 6 | 3.6 | CCc1cc(C(C)=O)c(O)cc1OCCCCCC(C)(C)c1nn[nH]n1 | 10.1016/0960-894X(95)00340-Y | ||
CHEMBL15766 | 50523 | 56 | None | - | 1 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 360 | 10 | 2 | 6 | 3.6 | CCc1cc(C(C)=O)c(O)cc1OCCCCCC(C)(C)c1nn[nH]n1 | 10.1016/0960-894X(95)00340-Y | ||
CHEMBL45460 | 50523 | 56 | None | - | 1 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 360 | 10 | 2 | 6 | 3.6 | CCc1cc(C(C)=O)c(O)cc1OCCCCCC(C)(C)c1nn[nH]n1 | 10.1016/0960-894X(95)00340-Y | ||
23257866 | 9375 | 0 | None | - | 1 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 515 | 18 | 2 | 5 | 6.5 | CCCCCCCCCCCCOc1ccc(C[S+]([O-])c2cccc(C(=O)O)c2)nc1/C=C/C(=O)O | 10.1021/jm00074a013 | ||
CHEMBL111908 | 9375 | 0 | None | - | 1 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 515 | 18 | 2 | 5 | 6.5 | CCCCCCCCCCCCOc1ccc(C[S+]([O-])c2cccc(C(=O)O)c2)nc1/C=C/C(=O)O | 10.1021/jm00074a013 | ||
10021742 | 9365 | 4 | None | - | 1 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 365 | 4 | 1 | 7 | 2.6 | Cn1c(N)nc(Cc2ccc3c(c2)OCO3)c1Cc1ccc2c(c1)OCO2 | 10.1021/np50100a005 | ||
CHEMBL111825 | 9365 | 4 | None | - | 1 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 365 | 4 | 1 | 7 | 2.6 | Cn1c(N)nc(Cc2ccc3c(c2)OCO3)c1Cc1ccc2c(c1)OCO2 | 10.1021/np50100a005 | ||
14977963 | 9552 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 574 | 15 | 2 | 5 | 7.1 | Nc1cccc([S+]([O-])Cc2ccc(OCCCCCCCCc3ccc(C(F)(F)F)cc3)c(/C=C/C(=O)O)n2)c1 | 10.1021/jm00074a013 | ||
CHEMBL112737 | 9552 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 574 | 15 | 2 | 5 | 7.1 | Nc1cccc([S+]([O-])Cc2ccc(OCCCCCCCCc3ccc(C(F)(F)F)cc3)c(/C=C/C(=O)O)n2)c1 | 10.1021/jm00074a013 | ||
9829619 | 100285 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 574 | 14 | 3 | 6 | 7.1 | CCc1cc(-c2ccc(F)cc2)c(O)cc1OCCCOc1cc(Oc2ccc(C(=O)O)cc2)ccc1CCC(=O)O | 10.1016/S0960-894X(01)80105-0 | ||
CHEMBL292783 | 100285 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 574 | 14 | 3 | 6 | 7.1 | CCc1cc(-c2ccc(F)cc2)c(O)cc1OCCCOc1cc(Oc2ccc(C(=O)O)cc2)ccc1CCC(=O)O | 10.1016/S0960-894X(01)80105-0 | ||
9977200 | 29163 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 360 | 11 | 2 | 5 | 4.3 | CCCc1cc(CC)c(OCCCCCC(C)(C)c2nn[nH]n2)cc1O | 10.1016/0960-894X(95)00340-Y | ||
CHEMBL138370 | 29163 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 360 | 11 | 2 | 5 | 4.3 | CCCc1cc(CC)c(OCCCCCC(C)(C)c2nn[nH]n2)cc1O | 10.1016/0960-894X(95)00340-Y | ||
CHEMBL60617 | 29163 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 360 | 11 | 2 | 5 | 4.3 | CCCc1cc(CC)c(OCCCCCC(C)(C)c2nn[nH]n2)cc1O | 10.1016/0960-894X(95)00340-Y | ||
10292143 | 116097 | 1 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 362 | 11 | 2 | 6 | 3.8 | CCOc1cc(CC)c(OCCCCCC(C)(C)c2nn[nH]n2)cc1O | 10.1016/0960-894X(95)00340-Y | ||
CHEMBL336665 | 116097 | 1 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 362 | 11 | 2 | 6 | 3.8 | CCOc1cc(CC)c(OCCCCCC(C)(C)c2nn[nH]n2)cc1O | 10.1016/0960-894X(95)00340-Y | ||
CHEMBL48667 | 116097 | 1 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 362 | 11 | 2 | 6 | 3.8 | CCOc1cc(CC)c(OCCCCCC(C)(C)c2nn[nH]n2)cc1O | 10.1016/0960-894X(95)00340-Y | ||
10292143 | 116097 | 1 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 362 | 11 | 2 | 6 | 3.8 | CCOc1cc(CC)c(OCCCCCC(C)(C)c2nn[nH]n2)cc1O | 10.1016/S0960-894X(00)80453-9 | ||
CHEMBL336665 | 116097 | 1 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 362 | 11 | 2 | 6 | 3.8 | CCOc1cc(CC)c(OCCCCCC(C)(C)c2nn[nH]n2)cc1O | 10.1016/S0960-894X(00)80453-9 | ||
CHEMBL48667 | 116097 | 1 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 362 | 11 | 2 | 6 | 3.8 | CCOc1cc(CC)c(OCCCCCC(C)(C)c2nn[nH]n2)cc1O | 10.1016/S0960-894X(00)80453-9 | ||
10292143 | 116097 | 1 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 362 | 11 | 2 | 6 | 3.8 | CCOc1cc(CC)c(OCCCCCC(C)(C)c2nn[nH]n2)cc1O | 10.1016/S0960-894X(00)80454-0 | ||
CHEMBL336665 | 116097 | 1 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 362 | 11 | 2 | 6 | 3.8 | CCOc1cc(CC)c(OCCCCCC(C)(C)c2nn[nH]n2)cc1O | 10.1016/S0960-894X(00)80454-0 | ||
CHEMBL48667 | 116097 | 1 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 362 | 11 | 2 | 6 | 3.8 | CCOc1cc(CC)c(OCCCCCC(C)(C)c2nn[nH]n2)cc1O | 10.1016/S0960-894X(00)80454-0 | ||
18963040 | 14699 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 404 | 14 | 2 | 6 | 5.0 | CCCCCOc1cc(CC)c(OCCCCCC(C)(C)c2nn[nH]n2)cc1O | 10.1016/0960-894X(95)00340-Y | ||
CHEMBL1207571 | 14699 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 404 | 14 | 2 | 6 | 5.0 | CCCCCOc1cc(CC)c(OCCCCCC(C)(C)c2nn[nH]n2)cc1O | 10.1016/0960-894X(95)00340-Y | ||
CHEMBL416259 | 14699 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 404 | 14 | 2 | 6 | 5.0 | CCCCCOc1cc(CC)c(OCCCCCC(C)(C)c2nn[nH]n2)cc1O | 10.1016/0960-894X(95)00340-Y | ||
15658122 | 9672 | 0 | None | - | 1 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 453 | 12 | 2 | 4 | 6.0 | CCCCCCCCC(O)c1ccc2ccc(C[S+]([O-])c3cccc(C(=O)O)c3)nc2c1 | 10.1021/jm00074a012 | ||
CHEMBL113514 | 9672 | 0 | None | - | 1 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 453 | 12 | 2 | 4 | 6.0 | CCCCCCCCC(O)c1ccc2ccc(C[S+]([O-])c3cccc(C(=O)O)c3)nc2c1 | 10.1021/jm00074a012 | ||
15658098 | 168750 | 0 | None | - | 1 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 383 | 13 | 2 | 3 | 6.3 | CCCCCCCCC(O)c1ccc2ccc(/C=C/CCCC(=O)O)nc2c1 | 10.1021/jm00074a012 | ||
CHEMBL441647 | 168750 | 0 | None | - | 1 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 383 | 13 | 2 | 3 | 6.3 | CCCCCCCCC(O)c1ccc2ccc(/C=C/CCCC(=O)O)nc2c1 | 10.1021/jm00074a012 | ||
14977952 | 108550 | 0 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 676 | 19 | 2 | 7 | 7.3 | COc1ccc(CCCCCCCCOc2ccc(C[S+]([O-])c3cccc(NS(=O)(=O)c4ccccc4)c3)nc2/C=C/C(=O)O)cc1 | 10.1021/jm00074a013 | ||
CHEMBL321261 | 108550 | 0 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 676 | 19 | 2 | 7 | 7.3 | COc1ccc(CCCCCCCCOc2ccc(C[S+]([O-])c3cccc(NS(=O)(=O)c4ccccc4)c3)nc2/C=C/C(=O)O)cc1 | 10.1021/jm00074a013 | ||
14977946 | 110091 | 0 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 531 | 18 | 2 | 6 | 6.2 | CCCCCCCCCCCCOc1ccc(CS(=O)(=O)c2cccc(C(=O)O)c2)nc1/C=C/C(=O)O | 10.1021/jm00074a013 | ||
CHEMBL325423 | 110091 | 0 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 531 | 18 | 2 | 6 | 6.2 | CCCCCCCCCCCCOc1ccc(CS(=O)(=O)c2cccc(C(=O)O)c2)nc1/C=C/C(=O)O | 10.1021/jm00074a013 | ||
44270188 | 51111 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 484 | 13 | 1 | 6 | 5.4 | CCCc1cc(OCCCOc2ccc(C(C)=O)c(OC)c2CCC)cc2c1OC(C(=O)O)CC2 | 10.1016/S0960-894X(00)80304-2 | ||
CHEMBL15817 | 51111 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 484 | 13 | 1 | 6 | 5.4 | CCCc1cc(OCCCOc2ccc(C(C)=O)c(OC)c2CCC)cc2c1OC(C(=O)O)CC2 | 10.1016/S0960-894X(00)80304-2 | ||
9984593 | 9546 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 533 | 17 | 2 | 5 | 7.3 | O=C(O)/C=C/c1nc(CSCc2cccc(C(=O)O)c2)ccc1OCCCCCCCCc1ccccc1 | 10.1021/jm00046a017 | ||
CHEMBL112707 | 9546 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 533 | 17 | 2 | 5 | 7.3 | O=C(O)/C=C/c1nc(CSCc2cccc(C(=O)O)c2)ccc1OCCCCCCCCc1ccccc1 | 10.1021/jm00046a017 | ||
15839733 | 45380 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 458 | 14 | 2 | 6 | 5.2 | CCCc1c(OCCCOc2cc(O)c(C(C)=O)cc2CC)cccc1OC(CC)C(=O)O | 10.1016/S0960-894X(00)80304-2 | ||
CHEMBL15295 | 45380 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 458 | 14 | 2 | 6 | 5.2 | CCCc1c(OCCCOc2cc(O)c(C(C)=O)cc2CC)cccc1OC(CC)C(=O)O | 10.1016/S0960-894X(00)80304-2 | ||
14977913 | 9171 | 0 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 549 | 17 | 2 | 6 | 5.7 | COc1ccc(CCCCCCCCOc2ccc(COc3cccc(C(=O)O)c3)[n+]([O-])c2/C=C/C(=O)O)cc1 | 10.1021/jm00074a013 | ||
CHEMBL110797 | 9171 | 0 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 549 | 17 | 2 | 6 | 5.7 | COc1ccc(CCCCCCCCOc2ccc(COc3cccc(C(=O)O)c3)[n+]([O-])c2/C=C/C(=O)O)cc1 | 10.1021/jm00074a013 | ||
14977924 | 110458 | 0 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 565 | 17 | 2 | 6 | 6.2 | COc1ccc(CCCCCCCCOc2ccc(C[S+]([O-])c3cccc(C(=O)O)c3)nc2/C=C/C(=O)O)cc1 | 10.1021/jm00074a013 | ||
CHEMBL326192 | 110458 | 0 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 565 | 17 | 2 | 6 | 6.2 | COc1ccc(CCCCCCCCOc2ccc(C[S+]([O-])c3cccc(C(=O)O)c3)nc2/C=C/C(=O)O)cc1 | 10.1021/jm00074a013 | ||
10812265 | 57839 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 424 | 11 | 2 | 6 | 5.1 | CCc1cc(-c2cccc(OC)c2)c(O)cc1OCCCCCC(C)(C)c1nn[nH]n1 | 10.1016/S0960-894X(01)80850-7 | ||
CHEMBL167923 | 57839 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 424 | 11 | 2 | 6 | 5.1 | CCc1cc(-c2cccc(OC)c2)c(O)cc1OCCCCCC(C)(C)c1nn[nH]n1 | 10.1016/S0960-894X(01)80850-7 | ||
10475982 | 161275 | 0 | None | -15 | 2 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 398 | 5 | 1 | 5 | 4.5 | O[C@@H]1c2cc(OCc3ccc4ccccc4n3)ccc2OC[C@H]1Cc1cccnc1 | 10.1016/0960-894X(95)00135-G | ||
CHEMBL414462 | 161275 | 0 | None | -15 | 2 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 398 | 5 | 1 | 5 | 4.5 | O[C@@H]1c2cc(OCc3ccc4ccccc4n3)ccc2OC[C@H]1Cc1cccnc1 | 10.1016/0960-894X(95)00135-G | ||
21765774 | 9609 | 0 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 579 | 18 | 2 | 6 | 6.3 | COc1ccc(CCCCCCCCOc2ccc(C[S+]([O-])Cc3ccc(C(=O)O)cc3)nc2/C=C/C(=O)O)cc1 | 10.1021/jm00046a017 | ||
CHEMBL113146 | 9609 | 0 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 579 | 18 | 2 | 6 | 6.3 | COc1ccc(CCCCCCCCOc2ccc(C[S+]([O-])Cc3ccc(C(=O)O)cc3)nc2/C=C/C(=O)O)cc1 | 10.1021/jm00046a017 | ||
14977898 | 9995 | 0 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 519 | 15 | 3 | 6 | 5.3 | COc1ccc(CCCCCCOc2ccc(CC(O)c3cccc(C(=O)O)c3)nc2/C=C/C(=O)O)cc1 | 10.1021/jm00074a013 | ||
CHEMBL115437 | 9995 | 0 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 519 | 15 | 3 | 6 | 5.3 | COc1ccc(CCCCCCOc2ccc(CC(O)c3cccc(C(=O)O)c3)nc2/C=C/C(=O)O)cc1 | 10.1021/jm00074a013 | ||
14977924 | 110458 | 0 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 565 | 17 | 2 | 6 | 6.2 | COc1ccc(CCCCCCCCOc2ccc(C[S+]([O-])c3cccc(C(=O)O)c3)nc2/C=C/C(=O)O)cc1 | 10.1021/jm00046a017 | ||
CHEMBL326192 | 110458 | 0 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 565 | 17 | 2 | 6 | 6.2 | COc1ccc(CCCCCCCCOc2ccc(C[S+]([O-])c3cccc(C(=O)O)c3)nc2/C=C/C(=O)O)cc1 | 10.1021/jm00046a017 | ||
10405361 | 14476 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 346 | 10 | 2 | 5 | 3.9 | CCc1cc(CC)c(OCCCCCC(C)(C)c2nn[nH]n2)cc1O | 10.1016/0960-894X(95)00340-Y | ||
CHEMBL1205188 | 14476 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 346 | 10 | 2 | 5 | 3.9 | CCc1cc(CC)c(OCCCCCC(C)(C)c2nn[nH]n2)cc1O | 10.1016/0960-894X(95)00340-Y | ||
CHEMBL62051 | 14476 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 346 | 10 | 2 | 5 | 3.9 | CCc1cc(CC)c(OCCCCCC(C)(C)c2nn[nH]n2)cc1O | 10.1016/0960-894X(95)00340-Y | ||
15839732 | 45431 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 444 | 13 | 2 | 6 | 4.8 | CCCc1c(OCCCOc2cc(O)c(C(C)=O)cc2CC)cccc1OC(C)C(=O)O | 10.1016/S0960-894X(00)80304-2 | ||
CHEMBL15299 | 45431 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 444 | 13 | 2 | 6 | 4.8 | CCCc1c(OCCCOc2cc(O)c(C(C)=O)cc2CC)cccc1OC(C)C(=O)O | 10.1016/S0960-894X(00)80304-2 | ||
44382468 | 58779 | 0 | None | - | 1 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 412 | 5 | 1 | 5 | 5.1 | C[C@H](Oc1ccc2c(c1)OC[C@@H](Cc1cccnc1)[C@@H]2O)c1ccc2ccccc2n1 | 10.1016/0960-894X(95)00135-G | ||
CHEMBL169639 | 58779 | 0 | None | - | 1 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 412 | 5 | 1 | 5 | 5.1 | C[C@H](Oc1ccc2c(c1)OC[C@@H](Cc1cccnc1)[C@@H]2O)c1ccc2ccccc2n1 | 10.1016/0960-894X(95)00135-G | ||
44341107 | 9369 | 0 | None | - | 1 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 277 | 4 | 1 | 3 | 3.2 | Cn1c(N)nc(Cc2ccccc2)c1Cc1ccccc1 | 10.1021/jm00074a014 | ||
CHEMBL111872 | 9369 | 0 | None | - | 1 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 277 | 4 | 1 | 3 | 3.2 | Cn1c(N)nc(Cc2ccccc2)c1Cc1ccccc1 | 10.1021/jm00074a014 | ||
23257889 | 9411 | 0 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 535 | 17 | 1 | 6 | 7.5 | COc1ccc(CCCCCCCCOc2ccc(CSc3cccc(OC)c3)nc2/C=C/C(=O)O)cc1 | 10.1021/jm00074a013 | ||
CHEMBL112088 | 9411 | 0 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 535 | 17 | 1 | 6 | 7.5 | COc1ccc(CCCCCCCCOc2ccc(CSc3cccc(OC)c3)nc2/C=C/C(=O)O)cc1 | 10.1021/jm00074a013 | ||
132379 | 111240 | 13 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 453 | 9 | 1 | 3 | 5.4 | CN(CCc1ccccc1)C(=O)Cc1cc(C(=O)O)cc2c(OCc3ccccc3)cccc12 | 10.1021/jm00100a034 | ||
CHEMBL328712 | 111240 | 13 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 453 | 9 | 1 | 3 | 5.4 | CN(CCc1ccccc1)C(=O)Cc1cc(C(=O)O)cc2c(OCc3ccccc3)cccc12 | 10.1021/jm00100a034 | ||
132379 | 111240 | 13 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 453 | 9 | 1 | 3 | 5.4 | CN(CCc1ccccc1)C(=O)Cc1cc(C(=O)O)cc2c(OCc3ccccc3)cccc12 | 10.1021/jm00070a015 | ||
CHEMBL328712 | 111240 | 13 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 453 | 9 | 1 | 3 | 5.4 | CN(CCc1ccccc1)C(=O)Cc1cc(C(=O)O)cc2c(OCc3ccccc3)cccc12 | 10.1021/jm00070a015 | ||
132379 | 111240 | 13 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 453 | 9 | 1 | 3 | 5.4 | CN(CCc1ccccc1)C(=O)Cc1cc(C(=O)O)cc2c(OCc3ccccc3)cccc12 | 10.1021/jm00046a017 | ||
CHEMBL328712 | 111240 | 13 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 453 | 9 | 1 | 3 | 5.4 | CN(CCc1ccccc1)C(=O)Cc1cc(C(=O)O)cc2c(OCc3ccccc3)cccc12 | 10.1021/jm00046a017 | ||
10694814 | 16393 | 0 | None | - | 1 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 449 | 12 | 1 | 5 | 5.9 | COc1ccc(CCCCOc2ccc(CSc3ccccc3)nc2/C=C/C(=O)O)cc1 | 10.1021/jm960248s | ||
CHEMBL123862 | 16393 | 0 | None | - | 1 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 449 | 12 | 1 | 5 | 5.9 | COc1ccc(CCCCOc2ccc(CSc3ccccc3)nc2/C=C/C(=O)O)cc1 | 10.1021/jm960248s | ||
2487 | 2336 | 32 | None | 31 | 2 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 336 | 14 | 3 | 3 | 4.2 | CCCCC/C=C\C[C@H](/C=C/C=C/C=C\[C@H](CCCC(=O)O)O)O | 10.1021/np50094a001 | ||
5280492 | 2336 | 32 | None | 31 | 2 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 336 | 14 | 3 | 3 | 4.2 | CCCCC/C=C\C[C@H](/C=C/C=C/C=C\[C@H](CCCC(=O)O)O)O | 10.1021/np50094a001 | ||
CHEMBL65061 | 2336 | 32 | None | 31 | 2 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 336 | 14 | 3 | 3 | 4.2 | CCCCC/C=C\C[C@H](/C=C/C=C/C=C\[C@H](CCCC(=O)O)O)O | 10.1021/np50094a001 | ||
DB12961 | 2336 | 32 | None | 31 | 2 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 336 | 14 | 3 | 3 | 4.2 | CCCCC/C=C\C[C@H](/C=C/C=C/C=C\[C@H](CCCC(=O)O)O)O | 10.1021/np50094a001 | ||
10182429 | 57831 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 428 | 10 | 2 | 5 | 5.7 | CCc1cc(-c2ccc(Cl)cc2)c(O)cc1OCCCCCC(C)(C)c1nn[nH]n1 | 10.1016/S0960-894X(01)80850-7 | ||
CHEMBL167850 | 57831 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 428 | 10 | 2 | 5 | 5.7 | CCc1cc(-c2ccc(Cl)cc2)c(O)cc1OCCCCCC(C)(C)c1nn[nH]n1 | 10.1016/S0960-894X(01)80850-7 | ||
11800543 | 19194 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 538 | 11 | 2 | 6 | 6.7 | CCc1cc(-c2ccccc2)c(O)cc1OCCCOc1ccc2c(=O)c3ccccc3oc2c1CCC(=O)O | 10.1021/jm00076a030 | ||
CHEMBL129272 | 19194 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 538 | 11 | 2 | 6 | 6.7 | CCc1cc(-c2ccccc2)c(O)cc1OCCCOc1ccc2c(=O)c3ccccc3oc2c1CCC(=O)O | 10.1021/jm00076a030 | ||
18963040 | 14699 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 404 | 14 | 2 | 6 | 5.0 | CCCCCOc1cc(CC)c(OCCCCCC(C)(C)c2nn[nH]n2)cc1O | 10.1016/0960-894X(95)00340-Y | ||
CHEMBL1207571 | 14699 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 404 | 14 | 2 | 6 | 5.0 | CCCCCOc1cc(CC)c(OCCCCCC(C)(C)c2nn[nH]n2)cc1O | 10.1016/0960-894X(95)00340-Y | ||
CHEMBL416259 | 14699 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 404 | 14 | 2 | 6 | 5.0 | CCCCCOc1cc(CC)c(OCCCCCC(C)(C)c2nn[nH]n2)cc1O | 10.1016/0960-894X(95)00340-Y | ||
18963040 | 14699 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 404 | 14 | 2 | 6 | 5.0 | CCCCCOc1cc(CC)c(OCCCCCC(C)(C)c2nn[nH]n2)cc1O | 10.1016/S0960-894X(00)80453-9 | ||
CHEMBL1207571 | 14699 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 404 | 14 | 2 | 6 | 5.0 | CCCCCOc1cc(CC)c(OCCCCCC(C)(C)c2nn[nH]n2)cc1O | 10.1016/S0960-894X(00)80453-9 | ||
CHEMBL416259 | 14699 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 404 | 14 | 2 | 6 | 5.0 | CCCCCOc1cc(CC)c(OCCCCCC(C)(C)c2nn[nH]n2)cc1O | 10.1016/S0960-894X(00)80453-9 | ||
114999 | 3482 | 15 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 484 | 13 | 1 | 6 | 5.4 | CCCc1c(OCCCOc2ccc(c(c2CCC)OC)C(=O)C)ccc2c1OC(CC2)C(=O)O | 10.1021/jm00074a014 | ||
6156 | 3482 | 15 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 484 | 13 | 1 | 6 | 5.4 | CCCc1c(OCCCOc2ccc(c(c2CCC)OC)C(=O)C)ccc2c1OC(CC2)C(=O)O | 10.1021/jm00074a014 | ||
CHEMBL14823 | 3482 | 15 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 484 | 13 | 1 | 6 | 5.4 | CCCc1c(OCCCOc2ccc(c(c2CCC)OC)C(=O)C)ccc2c1OC(CC2)C(=O)O | 10.1021/jm00074a014 | ||
44341141 | 9343 | 0 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 667 | 18 | 1 | 7 | 6.9 | COc1ccc(CCCCCCCCOc2ccc(C[S+]([O-])c3cccc(CS(=O)(=O)C(F)(F)F)c3)nc2/C=C/C(=O)O)cc1 | 10.1021/jm00074a013 | ||
CHEMBL111723 | 9343 | 0 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 667 | 18 | 1 | 7 | 6.9 | COc1ccc(CCCCCCCCOc2ccc(C[S+]([O-])c3cccc(CS(=O)(=O)C(F)(F)F)c3)nc2/C=C/C(=O)O)cc1 | 10.1021/jm00074a013 | ||
23257891 | 9613 | 0 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 551 | 17 | 1 | 6 | 6.5 | COc1ccc(CCCCCCCCOc2ccc(C[S+]([O-])c3cccc(OC)c3)nc2/C=C/C(=O)O)cc1 | 10.1021/jm00074a013 | ||
CHEMBL113167 | 9613 | 0 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 551 | 17 | 1 | 6 | 6.5 | COc1ccc(CCCCCCCCOc2ccc(C[S+]([O-])c3cccc(OC)c3)nc2/C=C/C(=O)O)cc1 | 10.1021/jm00074a013 | ||
10325873 | 9428 | 0 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 579 | 18 | 2 | 6 | 6.3 | COc1ccc(CCCCCCCCOc2ccc(C[S+]([O-])Cc3cccc(C(=O)O)c3)nc2/C=C/C(=O)O)cc1 | 10.1021/jm00046a017 | ||
CHEMBL112169 | 9428 | 0 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 579 | 18 | 2 | 6 | 6.3 | COc1ccc(CCCCCCCCOc2ccc(C[S+]([O-])Cc3cccc(C(=O)O)c3)nc2/C=C/C(=O)O)cc1 | 10.1021/jm00046a017 | ||
44382378 | 58561 | 0 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 412 | 5 | 1 | 5 | 5.1 | CC(Oc1ccc2c(c1)OC[C@@H](Cc1ccccn1)[C@@H]2O)c1ccc2ccccc2n1 | 10.1016/0960-894X(95)00135-G | ||
CHEMBL168854 | 58561 | 0 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 412 | 5 | 1 | 5 | 5.1 | CC(Oc1ccc2c(c1)OC[C@@H](Cc1ccccn1)[C@@H]2O)c1ccc2ccccc2n1 | 10.1016/0960-894X(95)00135-G | ||
44341318 | 9458 | 0 | None | - | 1 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 349 | 8 | 2 | 4 | 3.5 | Cn1c(N)nc(Cc2ccc(CCCCO)cc2)c1Cc1ccccc1 | 10.1021/jm00074a014 | ||
CHEMBL112309 | 9458 | 0 | None | - | 1 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 349 | 8 | 2 | 4 | 3.5 | Cn1c(N)nc(Cc2ccc(CCCCO)cc2)c1Cc1ccccc1 | 10.1021/jm00074a014 | ||
23257882 | 109926 | 0 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 564 | 17 | 1 | 6 | 6.5 | COc1ccc(CCCCCCCCOc2ccc(C[S+]([O-])c3cccc(N(C)C)c3)nc2/C=C/C(=O)O)cc1 | 10.1021/jm00074a013 | ||
CHEMBL324478 | 109926 | 0 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 564 | 17 | 1 | 6 | 6.5 | COc1ccc(CCCCCCCCOc2ccc(C[S+]([O-])c3cccc(N(C)C)c3)nc2/C=C/C(=O)O)cc1 | 10.1021/jm00074a013 | ||
10745069 | 29882 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 542 | 13 | 2 | 4 | 7.9 | CCCc1c(Cc2ccccc2C(=O)O)cccc1OCCCOc1cc(O)c(-c2ccc(F)cc2)cc1CC | 10.1021/jm00022a006 | ||
CHEMBL138954 | 29882 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 542 | 13 | 2 | 4 | 7.9 | CCCc1c(Cc2ccccc2C(=O)O)cccc1OCCCOc1cc(O)c(-c2ccc(F)cc2)cc1CC | 10.1021/jm00022a006 | ||
177941 | 1558 | 40 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 544 | 13 | 2 | 5 | 8.1 | CCCc1c(OCCCOc2cc(O)c(cc2CC)c2ccc(cc2)F)cccc1Oc1ccccc1C(=O)O | 10.1021/jm960088k | ||
2948 | 1558 | 40 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 544 | 13 | 2 | 5 | 8.1 | CCCc1c(OCCCOc2cc(O)c(cc2CC)c2ccc(cc2)F)cccc1Oc1ccccc1C(=O)O | 10.1021/jm960088k | ||
CHEMBL329123 | 1558 | 40 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 544 | 13 | 2 | 5 | 8.1 | CCCc1c(OCCCOc2cc(O)c(cc2CC)c2ccc(cc2)F)cccc1Oc1ccccc1C(=O)O | 10.1021/jm960088k | ||
DB12850 | 1558 | 40 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 544 | 13 | 2 | 5 | 8.1 | CCCc1c(OCCCOc2cc(O)c(cc2CC)c2ccc(cc2)F)cccc1Oc1ccccc1C(=O)O | 10.1021/jm960088k | ||
9906324 | 14450 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 348 | 10 | 2 | 6 | 3.4 | CCc1cc(OC)c(O)cc1OCCCCCC(C)(C)c1nn[nH]n1 | 10.1016/0960-894X(95)00340-Y | ||
CHEMBL1205046 | 14450 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 348 | 10 | 2 | 6 | 3.4 | CCc1cc(OC)c(O)cc1OCCCCCC(C)(C)c1nn[nH]n1 | 10.1016/0960-894X(95)00340-Y | ||
CHEMBL46820 | 14450 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 348 | 10 | 2 | 6 | 3.4 | CCc1cc(OC)c(O)cc1OCCCCCC(C)(C)c1nn[nH]n1 | 10.1016/0960-894X(95)00340-Y | ||
9906324 | 14450 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 348 | 10 | 2 | 6 | 3.4 | CCc1cc(OC)c(O)cc1OCCCCCC(C)(C)c1nn[nH]n1 | 10.1016/S0960-894X(00)80453-9 | ||
CHEMBL1205046 | 14450 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 348 | 10 | 2 | 6 | 3.4 | CCc1cc(OC)c(O)cc1OCCCCCC(C)(C)c1nn[nH]n1 | 10.1016/S0960-894X(00)80453-9 | ||
CHEMBL46820 | 14450 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 348 | 10 | 2 | 6 | 3.4 | CCc1cc(OC)c(O)cc1OCCCCCC(C)(C)c1nn[nH]n1 | 10.1016/S0960-894X(00)80453-9 | ||
9906324 | 14450 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 348 | 10 | 2 | 6 | 3.4 | CCc1cc(OC)c(O)cc1OCCCCCC(C)(C)c1nn[nH]n1 | 10.1016/S0960-894X(00)80454-0 | ||
CHEMBL1205046 | 14450 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 348 | 10 | 2 | 6 | 3.4 | CCc1cc(OC)c(O)cc1OCCCCCC(C)(C)c1nn[nH]n1 | 10.1016/S0960-894X(00)80454-0 | ||
CHEMBL46820 | 14450 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 348 | 10 | 2 | 6 | 3.4 | CCc1cc(OC)c(O)cc1OCCCCCC(C)(C)c1nn[nH]n1 | 10.1016/S0960-894X(00)80454-0 | ||
14977920 | 9388 | 0 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 515 | 18 | 2 | 5 | 6.5 | CCCCCCCCCCCCOc1ccc(C[S+]([O-])c2ccc(C(=O)O)cc2)nc1/C=C/C(=O)O | 10.1021/jm00074a013 | ||
CHEMBL111969 | 9388 | 0 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 515 | 18 | 2 | 5 | 6.5 | CCCCCCCCCCCCOc1ccc(C[S+]([O-])c2ccc(C(=O)O)cc2)nc1/C=C/C(=O)O | 10.1021/jm00074a013 | ||
44341073 | 10033 | 0 | None | - | 1 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 307 | 5 | 1 | 4 | 3.2 | COc1cccc(Cc2nc(N)n(C)c2Cc2ccccc2)c1 | 10.1021/jm00074a014 | ||
CHEMBL115679 | 10033 | 0 | None | - | 1 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 307 | 5 | 1 | 4 | 3.2 | COc1cccc(Cc2nc(N)n(C)c2Cc2ccccc2)c1 | 10.1021/jm00074a014 | ||
10324028 | 9933 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 509 | 15 | 2 | 6 | 5.6 | COc1ccc(CCCCOc2ccc(CSCc3cccc(C(=O)O)c3)nc2CCC(=O)O)cc1 | 10.1021/jm00046a017 | ||
CHEMBL115040 | 9933 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 509 | 15 | 2 | 6 | 5.6 | COc1ccc(CCCCOc2ccc(CSCc3cccc(C(=O)O)c3)nc2CCC(=O)O)cc1 | 10.1021/jm00046a017 | ||
44302963 | 14472 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 402 | 14 | 2 | 5 | 5.5 | CCCCCCc1cc(CC)c(OCCCCCC(C)(C)c2nn[nH]n2)cc1O | 10.1016/0960-894X(95)00340-Y | ||
CHEMBL1205145 | 14472 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 402 | 14 | 2 | 5 | 5.5 | CCCCCCc1cc(CC)c(OCCCCCC(C)(C)c2nn[nH]n2)cc1O | 10.1016/0960-894X(95)00340-Y | ||
CHEMBL58794 | 14472 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 402 | 14 | 2 | 5 | 5.5 | CCCCCCc1cc(CC)c(OCCCCCC(C)(C)c2nn[nH]n2)cc1O | 10.1016/0960-894X(95)00340-Y | ||
9826485 | 105883 | 0 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 469 | 16 | 3 | 5 | 5.7 | CCCCCCCCCCOc1ccc(CC(O)c2cccc(C(=O)O)c2)nc1/C=C/C(=O)O | 10.1021/jm00070a015 | ||
CHEMBL313923 | 105883 | 0 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 469 | 16 | 3 | 5 | 5.7 | CCCCCCCCCCOc1ccc(CC(O)c2cccc(C(=O)O)c2)nc1/C=C/C(=O)O | 10.1021/jm00070a015 | ||
114999 | 3482 | 15 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 484 | 13 | 1 | 6 | 5.4 | CCCc1c(OCCCOc2ccc(c(c2CCC)OC)C(=O)C)ccc2c1OC(CC2)C(=O)O | 10.1016/0960-894X(95)00135-G | ||
6156 | 3482 | 15 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 484 | 13 | 1 | 6 | 5.4 | CCCc1c(OCCCOc2ccc(c(c2CCC)OC)C(=O)C)ccc2c1OC(CC2)C(=O)O | 10.1016/0960-894X(95)00135-G | ||
CHEMBL14823 | 3482 | 15 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 484 | 13 | 1 | 6 | 5.4 | CCCc1c(OCCCOc2ccc(c(c2CCC)OC)C(=O)C)ccc2c1OC(CC2)C(=O)O | 10.1016/0960-894X(95)00135-G | ||
15658099 | 162781 | 0 | None | - | 1 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 385 | 14 | 2 | 3 | 6.2 | CCCCCCCCC(O)c1ccc2ccc(CCCCCC(=O)O)nc2c1 | 10.1021/jm00074a012 | ||
CHEMBL419036 | 162781 | 0 | None | - | 1 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 385 | 14 | 2 | 3 | 6.2 | CCCCCCCCC(O)c1ccc2ccc(CCCCCC(=O)O)nc2c1 | 10.1021/jm00074a012 | ||
9826485 | 105883 | 0 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 469 | 16 | 3 | 5 | 5.7 | CCCCCCCCCCOc1ccc(CC(O)c2cccc(C(=O)O)c2)nc1/C=C/C(=O)O | 10.1021/jm00074a013 | ||
CHEMBL313923 | 105883 | 0 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 469 | 16 | 3 | 5 | 5.7 | CCCCCCCCCCOc1ccc(CC(O)c2cccc(C(=O)O)c2)nc1/C=C/C(=O)O | 10.1021/jm00074a013 | ||
14977927 | 10159 | 0 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 652 | 18 | 2 | 7 | 7.7 | COc1ccc(CCCCCCCCOc2ccc(CSc3cccc(NS(=O)(=O)C(F)(F)F)c3)nc2/C=C/C(=O)O)cc1 | 10.1021/jm00074a013 | ||
CHEMBL116101 | 10159 | 0 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 652 | 18 | 2 | 7 | 7.7 | COc1ccc(CCCCCCCCOc2ccc(CSc3cccc(NS(=O)(=O)C(F)(F)F)c3)nc2/C=C/C(=O)O)cc1 | 10.1021/jm00074a013 | ||
15658155 | 14403 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 447 | 11 | 3 | 5 | 5.0 | CCCCOc1cccc(C(O)/C=C/c2cccc(CC(O)c3cccc(C(=O)O)c3)n2)c1 | 10.1021/jm00074a012 | ||
CHEMBL113288 | 14403 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 447 | 11 | 3 | 5 | 5.0 | CCCCOc1cccc(C(O)/C=C/c2cccc(CC(O)c3cccc(C(=O)O)c3)n2)c1 | 10.1021/jm00074a012 | ||
CHEMBL1204493 | 14403 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 447 | 11 | 3 | 5 | 5.0 | CCCCOc1cccc(C(O)/C=C/c2cccc(CC(O)c3cccc(C(=O)O)c3)n2)c1 | 10.1021/jm00074a012 | ||
10179915 | 57800 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 412 | 10 | 2 | 5 | 5.2 | CCc1cc(-c2ccc(F)cc2)c(O)cc1OCCCCCC(C)(C)c1nn[nH]n1 | 10.1016/S0960-894X(01)80850-7 | ||
CHEMBL167520 | 57800 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 412 | 10 | 2 | 5 | 5.2 | CCc1cc(-c2ccc(F)cc2)c(O)cc1OCCCCCC(C)(C)c1nn[nH]n1 | 10.1016/S0960-894X(01)80850-7 | ||
44302965 | 197276 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 551 | 14 | 1 | 7 | 6.5 | CCCc1c(OCCCOc2ccc(-c3cscn3)c(COC)c2CC2CC2)ccc2c1O[C@@H](C(=O)O)CC2 | 10.1021/jm990504b | ||
CHEMBL58495 | 197276 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 551 | 14 | 1 | 7 | 6.5 | CCCc1c(OCCCOc2ccc(-c3cscn3)c(COC)c2CC2CC2)ccc2c1O[C@@H](C(=O)O)CC2 | 10.1021/jm990504b | ||
192624 | 167926 | 2 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 394 | 10 | 2 | 5 | 5.1 | CCc1cc(-c2ccccc2)c(O)cc1OCCCCCC(C)(C)c1nn[nH]n1 | 10.1016/S0960-894X(01)80850-7 | ||
CHEMBL435273 | 167926 | 2 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 394 | 10 | 2 | 5 | 5.1 | CCc1cc(-c2ccccc2)c(O)cc1OCCCCCC(C)(C)c1nn[nH]n1 | 10.1016/S0960-894X(01)80850-7 | ||
9912012 | 161655 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 458 | 12 | 2 | 6 | 4.9 | CCCc1c(OCCCOc2cc(O)c(OCC)cc2CC)ccc2c1OC(C(=O)O)CC2 | 10.1016/S0960-894X(00)80454-0 | ||
CHEMBL416277 | 161655 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 458 | 12 | 2 | 6 | 4.9 | CCCc1c(OCCCOc2cc(O)c(OCC)cc2CC)ccc2c1OC(C(=O)O)CC2 | 10.1016/S0960-894X(00)80454-0 | ||
9906324 | 14450 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 348 | 10 | 2 | 6 | 3.4 | CCc1cc(OC)c(O)cc1OCCCCCC(C)(C)c1nn[nH]n1 | 10.1016/0960-894X(95)00340-Y | ||
CHEMBL1205046 | 14450 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 348 | 10 | 2 | 6 | 3.4 | CCc1cc(OC)c(O)cc1OCCCCCC(C)(C)c1nn[nH]n1 | 10.1016/0960-894X(95)00340-Y | ||
CHEMBL46820 | 14450 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 348 | 10 | 2 | 6 | 3.4 | CCc1cc(OC)c(O)cc1OCCCCCC(C)(C)c1nn[nH]n1 | 10.1016/0960-894X(95)00340-Y | ||
6157 | 2889 | 16 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 470 | 17 | 2 | 5 | 5.6 | COc1ccc(cc1)/C=C/CCCCOc1cccc(c1CCC(=O)O)OCCCCC(=O)O | 10.1021/jm960088k | ||
6438358 | 2889 | 16 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 470 | 17 | 2 | 5 | 5.6 | COc1ccc(cc1)/C=C/CCCCOc1cccc(c1CCC(=O)O)OCCCCC(=O)O | 10.1021/jm960088k | ||
CHEMBL422420 | 2889 | 16 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 470 | 17 | 2 | 5 | 5.6 | COc1ccc(cc1)/C=C/CCCCOc1cccc(c1CCC(=O)O)OCCCCC(=O)O | 10.1021/jm960088k | ||
44302966 | 96052 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 484 | 13 | 2 | 6 | 4.9 | CCCc1c(OCCCOc2ccc3c(c2CCC)O[C@@H](C(=O)O)CC3)ccc(C(C)=O)c1CO | 10.1021/jm990504b | ||
CHEMBL262530 | 96052 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 484 | 13 | 2 | 6 | 4.9 | CCCc1c(OCCCOc2ccc3c(c2CCC)O[C@@H](C(=O)O)CC3)ccc(C(C)=O)c1CO | 10.1021/jm990504b | ||
10554820 | 30065 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 556 | 13 | 2 | 5 | 7.5 | CCCc1c(OCCCOc2cc(O)c(-c3ccc(F)cc3)cc2CC)cccc1C(=O)c1ccccc1C(=O)O | 10.1021/jm00022a006 | ||
CHEMBL139115 | 30065 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 556 | 13 | 2 | 5 | 7.5 | CCCc1c(OCCCOc2cc(O)c(-c3ccc(F)cc3)cc2CC)cccc1C(=O)c1ccccc1C(=O)O | 10.1021/jm00022a006 | ||
44302963 | 14472 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 402 | 14 | 2 | 5 | 5.5 | CCCCCCc1cc(CC)c(OCCCCCC(C)(C)c2nn[nH]n2)cc1O | 10.1016/0960-894X(95)00340-Y | ||
CHEMBL1205145 | 14472 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 402 | 14 | 2 | 5 | 5.5 | CCCCCCc1cc(CC)c(OCCCCCC(C)(C)c2nn[nH]n2)cc1O | 10.1016/0960-894X(95)00340-Y | ||
CHEMBL58794 | 14472 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 402 | 14 | 2 | 5 | 5.5 | CCCCCCc1cc(CC)c(OCCCCCC(C)(C)c2nn[nH]n2)cc1O | 10.1016/0960-894X(95)00340-Y | ||
9845585 | 57848 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 408 | 10 | 2 | 5 | 5.4 | CCc1cc(-c2ccc(C)cc2)c(O)cc1OCCCCCC(C)(C)c1nn[nH]n1 | 10.1016/S0960-894X(01)80850-7 | ||
CHEMBL168011 | 57848 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 408 | 10 | 2 | 5 | 5.4 | CCc1cc(-c2ccc(C)cc2)c(O)cc1OCCCCCC(C)(C)c1nn[nH]n1 | 10.1016/S0960-894X(01)80850-7 | ||
44382275 | 59425 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 412 | 5 | 1 | 5 | 5.1 | C[C@@H](Oc1ccc2c(c1)OC[C@@H](Cc1cccnc1)[C@@H]2O)c1ccc2ccccc2n1 | 10.1016/0960-894X(95)00135-G | ||
CHEMBL172457 | 59425 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 412 | 5 | 1 | 5 | 5.1 | C[C@@H](Oc1ccc2c(c1)OC[C@@H](Cc1cccnc1)[C@@H]2O)c1ccc2ccccc2n1 | 10.1016/0960-894X(95)00135-G | ||
44382384 | 59230 | 0 | None | - | 1 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 412 | 5 | 1 | 5 | 5.1 | CC(Oc1ccc2c(c1)OC[C@H](Cc1ccccn1)[C@@H]2O)c1ccc2ccccc2n1 | 10.1016/0960-894X(95)00135-G | ||
CHEMBL171666 | 59230 | 0 | None | - | 1 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 412 | 5 | 1 | 5 | 5.1 | CC(Oc1ccc2c(c1)OC[C@H](Cc1ccccn1)[C@@H]2O)c1ccc2ccccc2n1 | 10.1016/0960-894X(95)00135-G | ||
14977911 | 9508 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 499 | 18 | 2 | 5 | 6.0 | CCCCCCCCCCCCOc1ccc(COc2cccc(C(=O)O)c2)[n+]([O-])c1/C=C/C(=O)O | 10.1021/jm00074a013 | ||
CHEMBL112544 | 9508 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 499 | 18 | 2 | 5 | 6.0 | CCCCCCCCCCCCOc1ccc(COc2cccc(C(=O)O)c2)[n+]([O-])c1/C=C/C(=O)O | 10.1021/jm00074a013 | ||
14977931 | 9565 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 520 | 16 | 2 | 6 | 7.0 | COc1ccc(CCCCCCCCOc2ccc(CSc3cccc(N)c3)nc2/C=C/C(=O)O)cc1 | 10.1021/jm00074a013 | ||
CHEMBL112808 | 9565 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 520 | 16 | 2 | 6 | 7.0 | COc1ccc(CCCCCCCCOc2ccc(CSc3cccc(N)c3)nc2/C=C/C(=O)O)cc1 | 10.1021/jm00074a013 | ||
10021742 | 9365 | 4 | None | - | 1 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 365 | 4 | 1 | 7 | 2.6 | Cn1c(N)nc(Cc2ccc3c(c2)OCO3)c1Cc1ccc2c(c1)OCO2 | 10.1021/jm00074a014 | ||
CHEMBL111825 | 9365 | 4 | None | - | 1 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 365 | 4 | 1 | 7 | 2.6 | Cn1c(N)nc(Cc2ccc3c(c2)OCO3)c1Cc1ccc2c(c1)OCO2 | 10.1021/jm00074a014 | ||
14977957 | 9429 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 490 | 15 | 2 | 5 | 7.0 | Nc1cccc(SCc2ccc(OCCCCCCCCc3ccccc3)c(/C=C/C(=O)O)n2)c1 | 10.1021/jm00074a013 | ||
CHEMBL112176 | 9429 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 490 | 15 | 2 | 5 | 7.0 | Nc1cccc(SCc2ccc(OCCCCCCCCc3ccccc3)c(/C=C/C(=O)O)n2)c1 | 10.1021/jm00074a013 | ||
14977933 | 9797 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 552 | 16 | 2 | 7 | 5.7 | COc1ccc(CCCCCCCCOc2ccc(CS(=O)(=O)c3cccc(N)c3)nc2/C=C/C(=O)O)cc1 | 10.1021/jm00074a013 | ||
CHEMBL114290 | 9797 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 552 | 16 | 2 | 7 | 5.7 | COc1ccc(CCCCCCCCOc2ccc(CS(=O)(=O)c3cccc(N)c3)nc2/C=C/C(=O)O)cc1 | 10.1021/jm00074a013 | ||
10507666 | 30702 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 592 | 13 | 2 | 6 | 7.1 | CCCc1c(OCCCOc2cc(O)c(-c3ccc(F)cc3)cc2CC)cccc1S(=O)(=O)c1ccccc1C(=O)O | 10.1021/jm00022a006 | ||
CHEMBL139799 | 30702 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 592 | 13 | 2 | 6 | 7.1 | CCCc1c(OCCCOc2cc(O)c(-c3ccc(F)cc3)cc2CC)cccc1S(=O)(=O)c1ccccc1C(=O)O | 10.1021/jm00022a006 | ||
9807782 | 19230 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 556 | 11 | 2 | 6 | 6.9 | CCc1cc(-c2ccc(F)cc2)c(O)cc1OCCCOc1ccc2c(=O)c3ccccc3oc2c1CCC(=O)O | 10.1021/jm00076a030 | ||
CHEMBL129463 | 19230 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 556 | 11 | 2 | 6 | 6.9 | CCc1cc(-c2ccc(F)cc2)c(O)cc1OCCCOc1ccc2c(=O)c3ccccc3oc2c1CCC(=O)O | 10.1021/jm00076a030 | ||
6444688 | 186737 | 29 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 502 | 14 | 2 | 5 | 5.9 | COc1ccc(/C=C/CCCCOc2ccc(C(=O)c3cccc(C(=O)O)c3)cc2CCC(=O)O)cc1 | 10.1021/jm00074a014 | ||
CHEMBL49302 | 186737 | 29 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 502 | 14 | 2 | 5 | 5.9 | COc1ccc(/C=C/CCCCOc2ccc(C(=O)c3cccc(C(=O)O)c3)cc2CCC(=O)O)cc1 | 10.1021/jm00074a014 | ||
23257894 | 9564 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 521 | 16 | 1 | 5 | 6.5 | COc1ccc(CCCCCCCCOc2ccc(C[S+]([O-])c3ccccc3)nc2/C=C/C(=O)O)cc1 | 10.1021/jm00074a013 | ||
CHEMBL112804 | 9564 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 521 | 16 | 1 | 5 | 6.5 | COc1ccc(CCCCCCCCOc2ccc(C[S+]([O-])c3ccccc3)nc2/C=C/C(=O)O)cc1 | 10.1021/jm00074a013 | ||
10342316 | 57843 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 424 | 11 | 2 | 6 | 5.1 | CCc1cc(-c2ccc(OC)cc2)c(O)cc1OCCCCCC(C)(C)c1nn[nH]n1 | 10.1016/S0960-894X(01)80850-7 | ||
CHEMBL167972 | 57843 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 424 | 11 | 2 | 6 | 5.1 | CCc1cc(-c2ccc(OC)cc2)c(O)cc1OCCCCCC(C)(C)c1nn[nH]n1 | 10.1016/S0960-894X(01)80850-7 | ||
10363485 | 58794 | 0 | None | -29 | 2 | Human | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 398 | 5 | 1 | 5 | 4.5 | O[C@@H]1c2ccc(OCc3ccc4ccccc4n3)cc2OC[C@@H]1Cc1cccnc1 | 10.1016/0960-894X(95)00135-G | ||
CHEMBL169743 | 58794 | 0 | None | -29 | 2 | Human | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 398 | 5 | 1 | 5 | 4.5 | O[C@@H]1c2ccc(OCc3ccc4ccccc4n3)cc2OC[C@@H]1Cc1cccnc1 | 10.1016/0960-894X(95)00135-G | ||
9800998 | 98909 | 1 | None | -32 | 2 | Human | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 398 | 5 | 1 | 5 | 4.5 | O[C@@H]1c2cc(OCc3ccc4ccccc4n3)ccc2OC[C@@H]1Cc1cccnc1 | 10.1016/0960-894X(95)00135-G | ||
CHEMBL282524 | 98909 | 1 | None | -32 | 2 | Human | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 398 | 5 | 1 | 5 | 4.5 | O[C@@H]1c2cc(OCc3ccc4ccccc4n3)ccc2OC[C@@H]1Cc1cccnc1 | 10.1016/0960-894X(95)00135-G | ||
9829619 | 100285 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 574 | 14 | 3 | 6 | 7.1 | CCc1cc(-c2ccc(F)cc2)c(O)cc1OCCCOc1cc(Oc2ccc(C(=O)O)cc2)ccc1CCC(=O)O | 10.1016/S0960-894X(01)80105-0 | ||
CHEMBL292783 | 100285 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 574 | 14 | 3 | 6 | 7.1 | CCc1cc(-c2ccc(F)cc2)c(O)cc1OCCCOc1cc(Oc2ccc(C(=O)O)cc2)ccc1CCC(=O)O | 10.1016/S0960-894X(01)80105-0 | ||
44382463 | 58912 | 0 | None | -9 | 2 | Human | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 398 | 5 | 1 | 5 | 4.5 | O[C@@H]1c2ccc(OCc3ccc4ccccc4n3)cc2OC[C@H]1Cc1cccnc1 | 10.1016/0960-894X(95)00135-G | ||
CHEMBL170226 | 58912 | 0 | None | -9 | 2 | Human | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 398 | 5 | 1 | 5 | 4.5 | O[C@@H]1c2ccc(OCc3ccc4ccccc4n3)cc2OC[C@H]1Cc1cccnc1 | 10.1016/0960-894X(95)00135-G | ||
6157 | 2889 | 16 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 470 | 17 | 2 | 5 | 5.6 | COc1ccc(cc1)/C=C/CCCCOc1cccc(c1CCC(=O)O)OCCCCC(=O)O | 10.1021/jm00070a015 | ||
6438358 | 2889 | 16 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 470 | 17 | 2 | 5 | 5.6 | COc1ccc(cc1)/C=C/CCCCOc1cccc(c1CCC(=O)O)OCCCCC(=O)O | 10.1021/jm00070a015 | ||
CHEMBL422420 | 2889 | 16 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 470 | 17 | 2 | 5 | 5.6 | COc1ccc(cc1)/C=C/CCCCOc1cccc(c1CCC(=O)O)OCCCCC(=O)O | 10.1021/jm00070a015 | ||
6157 | 2889 | 16 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 470 | 17 | 2 | 5 | 5.6 | COc1ccc(cc1)/C=C/CCCCOc1cccc(c1CCC(=O)O)OCCCCC(=O)O | 10.1021/jm00046a017 | ||
6438358 | 2889 | 16 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 470 | 17 | 2 | 5 | 5.6 | COc1ccc(cc1)/C=C/CCCCOc1cccc(c1CCC(=O)O)OCCCCC(=O)O | 10.1021/jm00046a017 | ||
CHEMBL422420 | 2889 | 16 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 470 | 17 | 2 | 5 | 5.6 | COc1ccc(cc1)/C=C/CCCCOc1cccc(c1CCC(=O)O)OCCCCC(=O)O | 10.1021/jm00046a017 | ||
9807782 | 19230 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 556 | 11 | 2 | 6 | 6.9 | CCc1cc(-c2ccc(F)cc2)c(O)cc1OCCCOc1ccc2c(=O)c3ccccc3oc2c1CCC(=O)O | 10.1021/jm00076a030 | ||
CHEMBL129463 | 19230 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 556 | 11 | 2 | 6 | 6.9 | CCc1cc(-c2ccc(F)cc2)c(O)cc1OCCCOc1ccc2c(=O)c3ccccc3oc2c1CCC(=O)O | 10.1021/jm00076a030 | ||
9893718 | 204775 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 548 | 12 | 3 | 8 | 5.0 | CCc1cc(C(C)=O)c(O)cc1OCCCOc1ccc2c(=O)c3cc(C(=O)O)ccc3oc2c1CCC(=O)O | 10.1021/jm00076a030 | ||
CHEMBL292768 | 204775 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 548 | 12 | 3 | 8 | 5.0 | CCc1cc(C(C)=O)c(O)cc1OCCCOc1ccc2c(=O)c3cc(C(=O)O)ccc3oc2c1CCC(=O)O | 10.1021/jm00076a030 | ||
CHEMBL88337 | 204775 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 548 | 12 | 3 | 8 | 5.0 | CCc1cc(C(C)=O)c(O)cc1OCCCOc1ccc2c(=O)c3cc(C(=O)O)ccc3oc2c1CCC(=O)O | 10.1021/jm00076a030 | ||
3083459 | 119882 | 1 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 412 | 10 | 2 | 5 | 5.2 | CCc1cc(-c2cccc(F)c2)c(O)cc1OCCCCCC(C)(C)c1nn[nH]n1 | 10.1016/S0960-894X(01)80850-7 | ||
CHEMBL353378 | 119882 | 1 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 412 | 10 | 2 | 5 | 5.2 | CCc1cc(-c2cccc(F)c2)c(O)cc1OCCCCCC(C)(C)c1nn[nH]n1 | 10.1016/S0960-894X(01)80850-7 | ||
6439436 | 9463 | 2 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 536 | 16 | 2 | 6 | 6.0 | COc1ccc(CCCCCCCCOc2ccc(C[S+]([O-])c3cccc(N)c3)nc2/C=C/C(=O)O)cc1 | 10.1021/jm00074a013 | ||
CHEMBL112338 | 9463 | 2 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 536 | 16 | 2 | 6 | 6.0 | COc1ccc(CCCCCCCCOc2ccc(C[S+]([O-])c3cccc(N)c3)nc2/C=C/C(=O)O)cc1 | 10.1021/jm00074a013 | ||
6439436 | 9463 | 2 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 536 | 16 | 2 | 6 | 6.0 | COc1ccc(CCCCCCCCOc2ccc(C[S+]([O-])c3cccc(N)c3)nc2/C=C/C(=O)O)cc1 | 10.1021/jm960248s | ||
CHEMBL112338 | 9463 | 2 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 536 | 16 | 2 | 6 | 6.0 | COc1ccc(CCCCCCCCOc2ccc(C[S+]([O-])c3cccc(N)c3)nc2/C=C/C(=O)O)cc1 | 10.1021/jm960248s | ||
10292143 | 116097 | 1 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 362 | 11 | 2 | 6 | 3.8 | CCOc1cc(CC)c(OCCCCCC(C)(C)c2nn[nH]n2)cc1O | 10.1016/0960-894X(95)00340-Y | ||
CHEMBL336665 | 116097 | 1 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 362 | 11 | 2 | 6 | 3.8 | CCOc1cc(CC)c(OCCCCCC(C)(C)c2nn[nH]n2)cc1O | 10.1016/0960-894X(95)00340-Y | ||
CHEMBL48667 | 116097 | 1 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 362 | 11 | 2 | 6 | 3.8 | CCOc1cc(CC)c(OCCCCCC(C)(C)c2nn[nH]n2)cc1O | 10.1016/0960-894X(95)00340-Y | ||
10050724 | 10029 | 0 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 477 | 13 | 2 | 5 | 5.7 | O=C(O)/C=C/c1nc(CSCc2cccc(C(=O)O)c2)ccc1OCCCCc1ccccc1 | 10.1021/jm00046a017 | ||
CHEMBL115658 | 10029 | 0 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 477 | 13 | 2 | 5 | 5.7 | O=C(O)/C=C/c1nc(CSCc2cccc(C(=O)O)c2)ccc1OCCCCc1ccccc1 | 10.1021/jm00046a017 | ||
15839731 | 49186 | 0 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 430 | 13 | 2 | 6 | 4.4 | CCCc1c(OCCCOc2cc(O)c(C(C)=O)cc2CC)cccc1OCC(=O)O | 10.1016/S0960-894X(00)80304-2 | ||
CHEMBL15648 | 49186 | 0 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 430 | 13 | 2 | 6 | 4.4 | CCCc1c(OCCCOc2cc(O)c(C(C)=O)cc2CC)cccc1OCC(=O)O | 10.1016/S0960-894X(00)80304-2 | ||
9872540 | 30227 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 560 | 13 | 2 | 5 | 8.4 | CCCc1c(OCCCOc2cc(O)c(-c3ccc(F)cc3)cc2CC)cccc1Sc1ccccc1C(=O)O | 10.1021/jm00022a006 | ||
CHEMBL139254 | 30227 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 560 | 13 | 2 | 5 | 8.4 | CCCc1c(OCCCOc2cc(O)c(-c3ccc(F)cc3)cc2CC)cccc1Sc1ccccc1C(=O)O | 10.1021/jm00022a006 | ||
14977894 | 110118 | 0 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 471 | 17 | 3 | 5 | 5.6 | CCCCCCCCCCOc1ccc(CC(O)c2cccc(C(=O)O)c2)nc1CCC(=O)O | 10.1021/jm00074a013 | ||
CHEMBL325615 | 110118 | 0 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 471 | 17 | 3 | 5 | 5.6 | CCCCCCCCCCOc1ccc(CC(O)c2cccc(C(=O)O)c2)nc1CCC(=O)O | 10.1021/jm00074a013 | ||
14977961 | 9419 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 558 | 15 | 2 | 5 | 8.0 | Nc1cccc(SCc2ccc(OCCCCCCCCc3ccc(C(F)(F)F)cc3)c(/C=C/C(=O)O)n2)c1 | 10.1021/jm00074a013 | ||
CHEMBL112135 | 9419 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 558 | 15 | 2 | 5 | 8.0 | Nc1cccc(SCc2ccc(OCCCCCCCCc3ccc(C(F)(F)F)cc3)c(/C=C/C(=O)O)n2)c1 | 10.1021/jm00074a013 | ||
6450158 | 186591 | 14 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 516 | 12 | 2 | 6 | 5.9 | COc1ccc(/C=C/CCCCOc2ccc3c(=O)c4cc(C(=O)O)ccc4oc3c2CCC(=O)O)cc1 | 10.1016/S0960-894X(01)80999-9 | ||
CHEMBL49210 | 186591 | 14 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 516 | 12 | 2 | 6 | 5.9 | COc1ccc(/C=C/CCCCOc2ccc3c(=O)c4cc(C(=O)O)ccc4oc3c2CCC(=O)O)cc1 | 10.1016/S0960-894X(01)80999-9 | ||
14977916 | 110837 | 0 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 515 | 18 | 2 | 5 | 6.5 | CCCCCCCCCCCCOc1ccc(C[S+]([O-])c2ccccc2C(=O)O)nc1/C=C/C(=O)O | 10.1021/jm00074a013 | ||
CHEMBL326779 | 110837 | 0 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 515 | 18 | 2 | 5 | 6.5 | CCCCCCCCCCCCOc1ccc(C[S+]([O-])c2ccccc2C(=O)O)nc1/C=C/C(=O)O | 10.1021/jm00074a013 | ||
10405361 | 14476 | 0 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 346 | 10 | 2 | 5 | 3.9 | CCc1cc(CC)c(OCCCCCC(C)(C)c2nn[nH]n2)cc1O | 10.1016/0960-894X(95)00340-Y | ||
CHEMBL1205188 | 14476 | 0 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 346 | 10 | 2 | 5 | 3.9 | CCc1cc(CC)c(OCCCCCC(C)(C)c2nn[nH]n2)cc1O | 10.1016/0960-894X(95)00340-Y | ||
CHEMBL62051 | 14476 | 0 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 346 | 10 | 2 | 5 | 3.9 | CCc1cc(CC)c(OCCCCCC(C)(C)c2nn[nH]n2)cc1O | 10.1016/0960-894X(95)00340-Y | ||
9977200 | 29163 | 0 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 360 | 11 | 2 | 5 | 4.3 | CCCc1cc(CC)c(OCCCCCC(C)(C)c2nn[nH]n2)cc1O | 10.1016/0960-894X(95)00340-Y | ||
CHEMBL138370 | 29163 | 0 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 360 | 11 | 2 | 5 | 4.3 | CCCc1cc(CC)c(OCCCCCC(C)(C)c2nn[nH]n2)cc1O | 10.1016/0960-894X(95)00340-Y | ||
CHEMBL60617 | 29163 | 0 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 360 | 11 | 2 | 5 | 4.3 | CCCc1cc(CC)c(OCCCCCC(C)(C)c2nn[nH]n2)cc1O | 10.1016/0960-894X(95)00340-Y | ||
21765772 | 110121 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 563 | 18 | 2 | 6 | 7.3 | COc1ccc(CCCCCCCCOc2ccc(CSCc3ccc(C(=O)O)cc3)nc2/C=C/C(=O)O)cc1 | 10.1021/jm00046a017 | ||
CHEMBL325637 | 110121 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 563 | 18 | 2 | 6 | 7.3 | COc1ccc(CCCCCCCCOc2ccc(CSCc3ccc(C(=O)O)cc3)nc2/C=C/C(=O)O)cc1 | 10.1021/jm00046a017 | ||
10793277 | 30869 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 576 | 13 | 2 | 5 | 7.4 | CCCc1c(OCCCOc2cc(O)c(-c3ccc(F)cc3)cc2CC)cccc1[S+]([O-])c1ccccc1C(=O)O | 10.1021/jm00022a006 | ||
CHEMBL139969 | 30869 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 576 | 13 | 2 | 5 | 7.4 | CCCc1c(OCCCOc2cc(O)c(-c3ccc(F)cc3)cc2CC)cccc1[S+]([O-])c1ccccc1C(=O)O | 10.1021/jm00022a006 | ||
6450158 | 186591 | 14 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 516 | 12 | 2 | 6 | 5.9 | COc1ccc(/C=C/CCCCOc2ccc3c(=O)c4cc(C(=O)O)ccc4oc3c2CCC(=O)O)cc1 | 10.1021/jm00064a006 | ||
CHEMBL49210 | 186591 | 14 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 516 | 12 | 2 | 6 | 5.9 | COc1ccc(/C=C/CCCCOc2ccc3c(=O)c4cc(C(=O)O)ccc4oc3c2CCC(=O)O)cc1 | 10.1021/jm00064a006 | ||
15658112 | 62844 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 419 | 12 | 2 | 3 | 6.5 | CCCCCCCC[C@@H](O)c1ccc2ccc(CCc3cccc(C(=O)O)c3)nc2c1 | 10.1021/jm00074a012 | ||
CHEMBL1788228 | 62844 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 419 | 12 | 2 | 3 | 6.5 | CCCCCCCC[C@@H](O)c1ccc2ccc(CCc3cccc(C(=O)O)c3)nc2c1 | 10.1021/jm00074a012 | ||
CHEMBL1789864 | 62844 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 419 | 12 | 2 | 3 | 6.5 | CCCCCCCC[C@@H](O)c1ccc2ccc(CCc3cccc(C(=O)O)c3)nc2c1 | 10.1021/jm00074a012 | ||
15658139 | 14407 | 0 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 452 | 12 | 2 | 3 | 6.6 | CCCCCCCCC(O)c1ccc2ccc(C[S+]([O-])c3cccc(C(=O)O)c3)cc2c1 | 10.1021/jm00074a012 | ||
CHEMBL115826 | 14407 | 0 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 452 | 12 | 2 | 3 | 6.6 | CCCCCCCCC(O)c1ccc2ccc(C[S+]([O-])c3cccc(C(=O)O)c3)cc2c1 | 10.1021/jm00074a012 | ||
CHEMBL1204497 | 14407 | 0 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 452 | 12 | 2 | 3 | 6.6 | CCCCCCCCC(O)c1ccc2ccc(C[S+]([O-])c3cccc(C(=O)O)c3)cc2c1 | 10.1021/jm00074a012 | ||
18963028 | 14453 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 376 | 11 | 2 | 6 | 4.2 | CCc1cc(OC(C)C)c(O)cc1OCCCCCC(C)(C)c1nn[nH]n1 | 10.1016/S0960-894X(00)80453-9 | ||
CHEMBL1205053 | 14453 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 376 | 11 | 2 | 6 | 4.2 | CCc1cc(OC(C)C)c(O)cc1OCCCCCC(C)(C)c1nn[nH]n1 | 10.1016/S0960-894X(00)80453-9 | ||
CHEMBL47716 | 14453 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 376 | 11 | 2 | 6 | 4.2 | CCc1cc(OC(C)C)c(O)cc1OCCCCCC(C)(C)c1nn[nH]n1 | 10.1016/S0960-894X(00)80453-9 | ||
44382276 | 119810 | 0 | None | - | 1 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 412 | 5 | 1 | 5 | 5.1 | CC(Oc1ccc2c(c1)OC[C@H](Cc1cccnc1)[C@@H]2O)c1ccc2ccccc2n1 | 10.1016/0960-894X(95)00135-G | ||
CHEMBL352814 | 119810 | 0 | None | - | 1 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 412 | 5 | 1 | 5 | 5.1 | CC(Oc1ccc2c(c1)OC[C@H](Cc1cccnc1)[C@@H]2O)c1ccc2ccccc2n1 | 10.1016/0960-894X(95)00135-G | ||
10371282 | 110124 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 595 | 18 | 2 | 7 | 6.0 | COc1ccc(CCCCCCCCOc2ccc(CS(=O)(=O)Cc3cccc(C(=O)O)c3)nc2/C=C/C(=O)O)cc1 | 10.1021/jm00046a017 | ||
CHEMBL325643 | 110124 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 595 | 18 | 2 | 7 | 6.0 | COc1ccc(CCCCCCCCOc2ccc(CS(=O)(=O)Cc3cccc(C(=O)O)c3)nc2/C=C/C(=O)O)cc1 | 10.1021/jm00046a017 | ||
20704716 | 184142 | 0 | None | - | 1 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 488 | 5 | 1 | 9 | 2.4 | CN1C(=N)N(C)/C(=N/c2nc(Cc3ccc4c(c3)OCO4)c(Cc3ccc4c(c3)OCO4)n2C)C1=O | 10.1021/np50100a005 | ||
CHEMBL485054 | 184142 | 0 | None | - | 1 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 488 | 5 | 1 | 9 | 2.4 | CN1C(=N)N(C)/C(=N/c2nc(Cc3ccc4c(c3)OCO4)c(Cc3ccc4c(c3)OCO4)n2C)C1=O | 10.1021/np50100a005 | ||
10159791 | 57702 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 408 | 10 | 2 | 5 | 5.4 | CCc1cc(-c2ccccc2C)c(O)cc1OCCCCCC(C)(C)c1nn[nH]n1 | 10.1016/S0960-894X(01)80850-7 | ||
CHEMBL167261 | 57702 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 408 | 10 | 2 | 5 | 5.4 | CCc1cc(-c2ccccc2C)c(O)cc1OCCCCCC(C)(C)c1nn[nH]n1 | 10.1016/S0960-894X(01)80850-7 | ||
10046307 | 14627 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 374 | 12 | 2 | 5 | 4.7 | CCCCc1cc(CC)c(OCCCCCC(C)(C)c2nn[nH]n2)cc1O | 10.1016/0960-894X(95)00340-Y | ||
CHEMBL1206771 | 14627 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 374 | 12 | 2 | 5 | 4.7 | CCCCc1cc(CC)c(OCCCCCC(C)(C)c2nn[nH]n2)cc1O | 10.1016/0960-894X(95)00340-Y | ||
CHEMBL305560 | 14627 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 374 | 12 | 2 | 5 | 4.7 | CCCCc1cc(CC)c(OCCCCCC(C)(C)c2nn[nH]n2)cc1O | 10.1016/0960-894X(95)00340-Y | ||
19427041 | 14474 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 534 | 14 | 3 | 7 | 5.0 | CCc1cc(C(C)=O)c(O)cc1OCCCOc1ccc(C(=O)c2cccc(C(=O)O)c2)cc1CCC(=O)O | 10.1016/S0960-894X(01)80999-9 | ||
CHEMBL1205171 | 14474 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 534 | 14 | 3 | 7 | 5.0 | CCc1cc(C(C)=O)c(O)cc1OCCCOc1ccc(C(=O)c2cccc(C(=O)O)c2)cc1CCC(=O)O | 10.1016/S0960-894X(01)80999-9 | ||
CHEMBL60881 | 14474 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 534 | 14 | 3 | 7 | 5.0 | CCc1cc(C(C)=O)c(O)cc1OCCCOc1ccc(C(=O)c2cccc(C(=O)O)c2)cc1CCC(=O)O | 10.1016/S0960-894X(01)80999-9 | ||
15658149 | 14402 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 413 | 14 | 3 | 4 | 5.1 | CCCCCCCCC(O)CCc1cccc(CC(O)c2cccc(C(=O)O)c2)n1 | 10.1021/jm00074a012 | ||
CHEMBL111811 | 14402 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 413 | 14 | 3 | 4 | 5.1 | CCCCCCCCC(O)CCc1cccc(CC(O)c2cccc(C(=O)O)c2)n1 | 10.1021/jm00074a012 | ||
CHEMBL1204492 | 14402 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 413 | 14 | 3 | 4 | 5.1 | CCCCCCCCC(O)CCc1cccc(CC(O)c2cccc(C(=O)O)c2)n1 | 10.1021/jm00074a012 | ||
15658119 | 9718 | 0 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 437 | 12 | 2 | 4 | 7.0 | CCCCCCCCC(O)c1ccc2ccc(CSc3cccc(C(=O)O)c3)nc2c1 | 10.1021/jm00074a012 | ||
CHEMBL113792 | 9718 | 0 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 437 | 12 | 2 | 4 | 7.0 | CCCCCCCCC(O)c1ccc2ccc(CSc3cccc(C(=O)O)c3)nc2c1 | 10.1021/jm00074a012 | ||
14977948 | 9501 | 0 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 660 | 19 | 2 | 7 | 8.2 | COc1ccc(CCCCCCCCOc2ccc(CSc3cccc(NS(=O)(=O)c4ccccc4)c3)nc2/C=C/C(=O)O)cc1 | 10.1021/jm00074a013 | ||
CHEMBL112510 | 9501 | 0 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 660 | 19 | 2 | 7 | 8.2 | COc1ccc(CCCCCCCCOc2ccc(CSc3cccc(NS(=O)(=O)c4ccccc4)c3)nc2/C=C/C(=O)O)cc1 | 10.1021/jm00074a013 | ||
9845587 | 165077 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 408 | 10 | 2 | 5 | 5.4 | CCc1cc(-c2cccc(C)c2)c(O)cc1OCCCCCC(C)(C)c1nn[nH]n1 | 10.1016/S0960-894X(01)80850-7 | ||
CHEMBL424361 | 165077 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 408 | 10 | 2 | 5 | 5.4 | CCc1cc(-c2cccc(C)c2)c(O)cc1OCCCCCC(C)(C)c1nn[nH]n1 | 10.1016/S0960-894X(01)80850-7 | ||
10670634 | 57371 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 437 | 11 | 2 | 6 | 5.1 | CCc1cc(-c2ccc(N(C)C)cc2)c(O)cc1OCCCCCC(C)(C)c1nn[nH]n1 | 10.1016/S0960-894X(01)80850-7 | ||
CHEMBL166862 | 57371 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 437 | 11 | 2 | 6 | 5.1 | CCc1cc(-c2ccc(N(C)C)cc2)c(O)cc1OCCCCCC(C)(C)c1nn[nH]n1 | 10.1016/S0960-894X(01)80850-7 | ||
122023 | 50523 | 56 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 360 | 10 | 2 | 6 | 3.6 | CCc1cc(C(C)=O)c(O)cc1OCCCCCC(C)(C)c1nn[nH]n1 | 10.1016/0960-894X(95)00340-Y | ||
CHEMBL15766 | 50523 | 56 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 360 | 10 | 2 | 6 | 3.6 | CCc1cc(C(C)=O)c(O)cc1OCCCCCC(C)(C)c1nn[nH]n1 | 10.1016/0960-894X(95)00340-Y | ||
CHEMBL45460 | 50523 | 56 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 360 | 10 | 2 | 6 | 3.6 | CCc1cc(C(C)=O)c(O)cc1OCCCCCC(C)(C)c1nn[nH]n1 | 10.1016/0960-894X(95)00340-Y | ||
10600128 | 57803 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 462 | 10 | 2 | 5 | 6.1 | CCc1cc(-c2cccc(C(F)(F)F)c2)c(O)cc1OCCCCCC(C)(C)c1nn[nH]n1 | 10.1016/S0960-894X(01)80850-7 | ||
CHEMBL167580 | 57803 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 462 | 10 | 2 | 5 | 6.1 | CCc1cc(-c2cccc(C(F)(F)F)c2)c(O)cc1OCCCCCC(C)(C)c1nn[nH]n1 | 10.1016/S0960-894X(01)80850-7 | ||
6435820 | 164464 | 6 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 563 | 18 | 2 | 6 | 7.3 | COc1ccc(CCCCCCCCOc2ccc(CSCc3cccc(C(=O)O)c3)nc2/C=C/C(=O)O)cc1 | 10.1021/jm00070a015 | ||
CHEMBL422598 | 164464 | 6 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 563 | 18 | 2 | 6 | 7.3 | COc1ccc(CCCCCCCCOc2ccc(CSCc3cccc(C(=O)O)c3)nc2/C=C/C(=O)O)cc1 | 10.1021/jm00070a015 | ||
6435820 | 164464 | 6 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 563 | 18 | 2 | 6 | 7.3 | COc1ccc(CCCCCCCCOc2ccc(CSCc3cccc(C(=O)O)c3)nc2/C=C/C(=O)O)cc1 | 10.1021/jm00046a017 | ||
CHEMBL422598 | 164464 | 6 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 563 | 18 | 2 | 6 | 7.3 | COc1ccc(CCCCCCCCOc2ccc(CSCc3cccc(C(=O)O)c3)nc2/C=C/C(=O)O)cc1 | 10.1021/jm00046a017 | ||
6435820 | 164464 | 6 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 563 | 18 | 2 | 6 | 7.3 | COc1ccc(CCCCCCCCOc2ccc(CSCc3cccc(C(=O)O)c3)nc2/C=C/C(=O)O)cc1 | 10.1021/jm960088k | ||
CHEMBL422598 | 164464 | 6 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 563 | 18 | 2 | 6 | 7.3 | COc1ccc(CCCCCCCCOc2ccc(CSCc3cccc(C(=O)O)c3)nc2/C=C/C(=O)O)cc1 | 10.1021/jm960088k | ||
6435820 | 164464 | 6 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 563 | 18 | 2 | 6 | 7.3 | COc1ccc(CCCCCCCCOc2ccc(CSCc3cccc(C(=O)O)c3)nc2/C=C/C(=O)O)cc1 | 10.1021/jm960248s | ||
CHEMBL422598 | 164464 | 6 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 563 | 18 | 2 | 6 | 7.3 | COc1ccc(CCCCCCCCOc2ccc(CSCc3cccc(C(=O)O)c3)nc2/C=C/C(=O)O)cc1 | 10.1021/jm960248s | ||
6444688 | 186737 | 29 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 502 | 14 | 2 | 5 | 5.9 | COc1ccc(/C=C/CCCCOc2ccc(C(=O)c3cccc(C(=O)O)c3)cc2CCC(=O)O)cc1 | 10.1016/S0960-894X(01)80999-9 | ||
CHEMBL49302 | 186737 | 29 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 502 | 14 | 2 | 5 | 5.9 | COc1ccc(/C=C/CCCCOc2ccc(C(=O)c3cccc(C(=O)O)c3)cc2CCC(=O)O)cc1 | 10.1016/S0960-894X(01)80999-9 | ||
6852392 | 17088 | 4 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 361 | 14 | 3 | 4 | 4.0 | CCCCC/C=C\C[C@H](O)/C=C/c1cccc(C[C@H](O)CCCCO)n1 | 10.1021/jm00074a012 | ||
CHEMBL1256923 | 17088 | 4 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 361 | 14 | 3 | 4 | 4.0 | CCCCC/C=C\C[C@H](O)/C=C/c1cccc(C[C@H](O)CCCCO)n1 | 10.1021/jm00074a012 | ||
14977943 | 114464 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 592 | 17 | 3 | 7 | 6.5 | COc1ccc(CCCCCCCCOc2ccc(CSc3cccc(NC(=O)C(=O)O)c3)nc2/C=C/C(=O)O)cc1 | 10.1021/jm00074a013 | ||
CHEMBL334267 | 114464 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 592 | 17 | 3 | 7 | 6.5 | COc1ccc(CCCCCCCCOc2ccc(CSc3cccc(NC(=O)C(=O)O)c3)nc2/C=C/C(=O)O)cc1 | 10.1021/jm00074a013 | ||
14977939 | 96269 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 505 | 16 | 1 | 5 | 7.4 | COc1ccc(CCCCCCCCOc2ccc(CSc3ccccc3)nc2/C=C/C(=O)O)cc1 | 10.1021/jm00074a013 | ||
CHEMBL264197 | 96269 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 505 | 16 | 1 | 5 | 7.4 | COc1ccc(CCCCCCCCOc2ccc(CSc3ccccc3)nc2/C=C/C(=O)O)cc1 | 10.1021/jm00074a013 | ||
15839736 | 14471 | 0 | None | - | 1 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 476 | 9 | 2 | 7 | 5.0 | CCc1cc(C(C)=O)c(O)cc1OCCCOc1ccc2c(=O)c3cc(C(=O)O)ccc3oc2c1 | 10.1016/S0960-894X(01)80999-9 | ||
CHEMBL1205143 | 14471 | 0 | None | - | 1 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 476 | 9 | 2 | 7 | 5.0 | CCc1cc(C(C)=O)c(O)cc1OCCCOc1ccc2c(=O)c3cc(C(=O)O)ccc3oc2c1 | 10.1016/S0960-894X(01)80999-9 | ||
CHEMBL58534 | 14471 | 0 | None | - | 1 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 476 | 9 | 2 | 7 | 5.0 | CCc1cc(C(C)=O)c(O)cc1OCCCOc1ccc2c(=O)c3cc(C(=O)O)ccc3oc2c1 | 10.1016/S0960-894X(01)80999-9 | ||
122023 | 50523 | 56 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 360 | 10 | 2 | 6 | 3.6 | CCc1cc(C(C)=O)c(O)cc1OCCCCCC(C)(C)c1nn[nH]n1 | 10.1016/S0960-894X(01)80999-9 | ||
CHEMBL15766 | 50523 | 56 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 360 | 10 | 2 | 6 | 3.6 | CCc1cc(C(C)=O)c(O)cc1OCCCCCC(C)(C)c1nn[nH]n1 | 10.1016/S0960-894X(01)80999-9 | ||
CHEMBL45460 | 50523 | 56 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 360 | 10 | 2 | 6 | 3.6 | CCc1cc(C(C)=O)c(O)cc1OCCCCCC(C)(C)c1nn[nH]n1 | 10.1016/S0960-894X(01)80999-9 | ||
122023 | 50523 | 56 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 360 | 10 | 2 | 6 | 3.6 | CCc1cc(C(C)=O)c(O)cc1OCCCCCC(C)(C)c1nn[nH]n1 | 10.1016/S0960-894X(00)80304-2 | ||
CHEMBL15766 | 50523 | 56 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 360 | 10 | 2 | 6 | 3.6 | CCc1cc(C(C)=O)c(O)cc1OCCCCCC(C)(C)c1nn[nH]n1 | 10.1016/S0960-894X(00)80304-2 | ||
CHEMBL45460 | 50523 | 56 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 360 | 10 | 2 | 6 | 3.6 | CCc1cc(C(C)=O)c(O)cc1OCCCCCC(C)(C)c1nn[nH]n1 | 10.1016/S0960-894X(00)80304-2 | ||
122023 | 50523 | 56 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 360 | 10 | 2 | 6 | 3.6 | CCc1cc(C(C)=O)c(O)cc1OCCCCCC(C)(C)c1nn[nH]n1 | 10.1016/S0960-894X(00)80453-9 | ||
CHEMBL15766 | 50523 | 56 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 360 | 10 | 2 | 6 | 3.6 | CCc1cc(C(C)=O)c(O)cc1OCCCCCC(C)(C)c1nn[nH]n1 | 10.1016/S0960-894X(00)80453-9 | ||
CHEMBL45460 | 50523 | 56 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 360 | 10 | 2 | 6 | 3.6 | CCc1cc(C(C)=O)c(O)cc1OCCCCCC(C)(C)c1nn[nH]n1 | 10.1016/S0960-894X(00)80453-9 | ||
14977955 | 9485 | 0 | None | - | 1 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 548 | 17 | 1 | 6 | 7.5 | COc1ccc(CCCCCCCCOc2ccc(CSc3cccc(N(C)C)c3)nc2/C=C/C(=O)O)cc1 | 10.1021/jm00074a013 | ||
CHEMBL112455 | 9485 | 0 | None | - | 1 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 548 | 17 | 1 | 6 | 7.5 | COc1ccc(CCCCCCCCOc2ccc(CSc3cccc(N(C)C)c3)nc2/C=C/C(=O)O)cc1 | 10.1021/jm00074a013 | ||
10257351 | 110153 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 565 | 19 | 2 | 6 | 7.2 | COc1ccc(CCCCCCCCOc2ccc(CSCc3cccc(C(=O)O)c3)nc2CCC(=O)O)cc1 | 10.1021/jm00046a017 | ||
CHEMBL325773 | 110153 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 565 | 19 | 2 | 6 | 7.2 | COc1ccc(CCCCCCCCOc2ccc(CSCc3cccc(C(=O)O)c3)nc2CCC(=O)O)cc1 | 10.1021/jm00046a017 | ||
9959228 | 9980 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 549 | 17 | 2 | 6 | 7.1 | COc1ccc(CCCCCCCCOc2ccc(CSc3cccc(C(=O)O)c3)nc2/C=C/C(=O)O)cc1 | 10.1021/jm00046a017 | ||
CHEMBL115362 | 9980 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 549 | 17 | 2 | 6 | 7.1 | COc1ccc(CCCCCCCCOc2ccc(CSc3cccc(C(=O)O)c3)nc2/C=C/C(=O)O)cc1 | 10.1021/jm00046a017 | ||
9959228 | 9980 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 549 | 17 | 2 | 6 | 7.1 | COc1ccc(CCCCCCCCOc2ccc(CSc3cccc(C(=O)O)c3)nc2/C=C/C(=O)O)cc1 | 10.1021/jm00074a013 | ||
CHEMBL115362 | 9980 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 549 | 17 | 2 | 6 | 7.1 | COc1ccc(CCCCCCCCOc2ccc(CSc3cccc(C(=O)O)c3)nc2/C=C/C(=O)O)cc1 | 10.1021/jm00074a013 | ||
18963062 | 14613 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 404 | 13 | 2 | 6 | 4.8 | CCc1cc(OCCC(C)C)c(O)cc1OCCCCCC(C)(C)c1nn[nH]n1 | 10.1016/S0960-894X(00)80453-9 | ||
CHEMBL1206683 | 14613 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 404 | 13 | 2 | 6 | 4.8 | CCc1cc(OCCC(C)C)c(O)cc1OCCCCCC(C)(C)c1nn[nH]n1 | 10.1016/S0960-894X(00)80453-9 | ||
CHEMBL295799 | 14613 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 404 | 13 | 2 | 6 | 4.8 | CCc1cc(OCCC(C)C)c(O)cc1OCCCCCC(C)(C)c1nn[nH]n1 | 10.1016/S0960-894X(00)80453-9 | ||
10346127 | 9586 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 507 | 14 | 2 | 6 | 5.7 | COc1ccc(CCCCOc2ccc(CSCc3cccc(C(=O)O)c3)nc2/C=C/C(=O)O)cc1 | 10.1021/jm00046a017 | ||
CHEMBL112972 | 9586 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 507 | 14 | 2 | 6 | 5.7 | COc1ccc(CCCCOc2ccc(CSCc3cccc(C(=O)O)c3)nc2/C=C/C(=O)O)cc1 | 10.1021/jm00046a017 | ||
15658097 | 9643 | 0 | None | - | 1 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 401 | 14 | 3 | 4 | 5.2 | CCCCCCCCC(O)c1ccc2ccc(CC(O)CCCC(=O)O)nc2c1 | 10.1021/jm00074a012 | ||
CHEMBL113351 | 9643 | 0 | None | - | 1 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 401 | 14 | 3 | 4 | 5.2 | CCCCCCCCC(O)c1ccc2ccc(CC(O)CCCC(=O)O)nc2c1 | 10.1021/jm00074a012 | ||
44341265 | 10307 | 0 | None | - | 1 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 263 | 4 | 2 | 2 | 3.2 | Nc1nc(Cc2ccccc2)c(Cc2ccccc2)[nH]1 | 10.1021/jm00074a014 | ||
CHEMBL116278 | 10307 | 0 | None | - | 1 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 263 | 4 | 2 | 2 | 3.2 | Nc1nc(Cc2ccccc2)c(Cc2ccccc2)[nH]1 | 10.1021/jm00074a014 | ||
15658135 | 14404 | 0 | None | - | 1 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 436 | 12 | 2 | 3 | 7.6 | CCCCCCCCC(O)c1ccc2ccc(CSc3cccc(C(=O)O)c3)cc2c1 | 10.1021/jm00074a012 | ||
CHEMBL113401 | 14404 | 0 | None | - | 1 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 436 | 12 | 2 | 3 | 7.6 | CCCCCCCCC(O)c1ccc2ccc(CSc3cccc(C(=O)O)c3)cc2c1 | 10.1021/jm00074a012 | ||
CHEMBL1204494 | 14404 | 0 | None | - | 1 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 436 | 12 | 2 | 3 | 7.6 | CCCCCCCCC(O)c1ccc2ccc(CSc3cccc(C(=O)O)c3)cc2c1 | 10.1021/jm00074a012 | ||
None | 214444 | 0 | 3H-LTB4 | 3 | 2 | Human | 9.2 | pKi | = | 9.2 | Binding | PDSP KiDatabase | 336 | 14 | 3 | 3 | 4.2 | CCCCCC=CCC(C=CC=CC=CC(CCCC(=O)O)O)O | None | ||
None | 214447 | 0 | 3H-LTB4 | -6 | 2 | Human | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 318 | 14 | 1 | 2 | 5.4 | CCCCCC=CCC(=O)C=CC=CCC=CCCCC(=O)O | None | ||
None | 214449 | 0 | 3H-LTB4 | 1 | 2 | Human | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 318 | 14 | 1 | 2 | 5.4 | CCCCCC=CCC=CCC=CC=CC(=O)CCCC(=O)O | None | ||
None | 214450 | 0 | 3H-LTB4 | -1 | 2 | Human | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 320 | 14 | 2 | 2 | 5.2 | CCCCCC=CCC=CCC=CC=CC(CCCC(=O)O)O | None | ||
None | 214453 | 0 | 3H-LTB4 | 1 | 2 | Human | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 302 | 12 | 1 | 1 | 5.7 | CCCCCC=CCC=CCC=CCC#CCCCC(=O)O | None | ||
None | 214446 | 0 | 3H-LTB4 | -57 | 2 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 320 | 14 | 2 | 2 | 5.2 | CCCCCC(C=CC=CCC=CCC=CCCCC(=O)O)O | None | ||
None | 214450 | 0 | 3H-LTB4 | -1 | 2 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 320 | 14 | 2 | 2 | 5.2 | CCCCCC=CCC=CCC=CC=CC(CCCC(=O)O)O | None | ||
None | 214451 | 0 | 3H-LTB4 | -10 | 2 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 320 | 15 | 2 | 2 | 5.2 | C(CCC=CCC=CCC=CCC=CCCCC(=O)O)CCO | None | ||
None | 214452 | 0 | 3H-LTB4 | -10 | 2 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 320 | 14 | 2 | 2 | 5.2 | CCCCCC=CCC=CC=CC(CC=CCCCC(=O)O)O | None | ||
None | 214455 | 0 | 3H-LTB4 | -4365 | 4 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 473 | 7 | 2 | 3 | 7.9 | CC(C)(C1=CC=CC=C1CCC(C2=CC=CC(=C2)C=CC3=NC4=C(C=CC(=C4)Cl)C=C3)S)O | None | ||
None | 214460 | 0 | 3H-LTB4 | 1 | 2 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 332 | 13 | 0 | 3 | 5.3 | CCCCCC=CCC=CC=CC=CC1C(O1)CCCC(=O)OC | None | ||
132191096 | 214454 | 0 | 3H-LTB4 | -1 | 2 | Human | 5.8 | pKi | = | 5.8 | Binding | PDSP KiDatabase | 352 | 14 | 4 | 4 | 3.1 | CCCCCC(C=CC=CC=CC=CC(C(CCCC(=O)O)O)O)O | None | ||
None | 214456 | 0 | 3H-LTB4 | 4 | 2 | Human | 5.7 | pKi | = | 5.7 | Binding | PDSP KiDatabase | 625 | 25 | 7 | 8 | 2.8 | CCCCCC=CCC=CC=CC=CC(C(CCCC(=O)O)O)SCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N | None | ||
None | 214458 | 0 | 3H-LTB4 | 2 | 2 | Human | 5.6 | pKi | = | 5.6 | Binding | PDSP KiDatabase | 439 | 18 | 4 | 5 | 4.3 | CCCCCC=CCC=CC=CC=CC(C(CCCC(=O)O)O)SCC(C(=O)O)N | None | ||
None | 214448 | 0 | 3H-LTB4 | 218 | 2 | Human | 7.6 | pKi | = | 7.6 | Binding | PDSP KiDatabase | 361 | 14 | 3 | 4 | 4.0 | CCCCCC=CCC(C=CC1=NC(=CC=C1)CC(CCCCO)O)O | None | ||
None | 214445 | 0 | 3H-LTB4 | 2 | 2 | Human | 8.4 | pKi | = | 8.4 | Binding | PDSP KiDatabase | 334 | 13 | 3 | 3 | 3.9 | CCC=CCC=CCC(C=CC=CC=CC(CCCC(=O)O)O)O | None | ||
None | 214457 | 0 | 3H-LTB4 | 2 | 2 | Human | 5.4 | pKi | = | 5.4 | Binding | PDSP KiDatabase | 496 | 20 | 5 | 6 | 3.4 | CCCCCC=CCC=CC=CC=CC(C(CCCC(=O)O)O)SCC(C(=O)NCC(=O)O)N | None | ||
None | 214459 | 0 | 3H-LTB4 | 1 | 2 | Human | 5.2 | pKi | = | 5.2 | Binding | PDSP KiDatabase | 568 | 23 | 6 | 7 | 3.7 | CCCCCC=CCC=CC=CC=CC(C(CCCC(=O)O)O)SCC(C(=O)O)NC(=O)CCC(C(=O)O)N | None | ||
2855 | 4069 | 100 | 3H-LTB4 | -147 | 6 | Human | 5.2 | pKi | = | 5.2 | Binding | PDSP KiDatabase | 575 | 8 | 2 | 7 | 5.7 | COc1cc(ccc1Cc1cn(c2c1cc(cc2)NC(=O)OC1CCCC1)C)C(=O)NS(=O)(=O)c1ccccc1C | None | ||
3322 | 4069 | 100 | 3H-LTB4 | -147 | 6 | Human | 5.2 | pKi | = | 5.2 | Binding | PDSP KiDatabase | 575 | 8 | 2 | 7 | 5.7 | COc1cc(ccc1Cc1cn(c2c1cc(cc2)NC(=O)OC1CCCC1)C)C(=O)NS(=O)(=O)c1ccccc1C | None | ||
5717 | 4069 | 100 | 3H-LTB4 | -147 | 6 | Human | 5.2 | pKi | = | 5.2 | Binding | PDSP KiDatabase | 575 | 8 | 2 | 7 | 5.7 | COc1cc(ccc1Cc1cn(c2c1cc(cc2)NC(=O)OC1CCCC1)C)C(=O)NS(=O)(=O)c1ccccc1C | None | ||
CHEMBL603 | 4069 | 100 | 3H-LTB4 | -147 | 6 | Human | 5.2 | pKi | = | 5.2 | Binding | PDSP KiDatabase | 575 | 8 | 2 | 7 | 5.7 | COc1cc(ccc1Cc1cn(c2c1cc(cc2)NC(=O)OC1CCCC1)C)C(=O)NS(=O)(=O)c1ccccc1C | None | ||
DB00549 | 4069 | 100 | 3H-LTB4 | -147 | 6 | Human | 5.2 | pKi | = | 5.2 | Binding | PDSP KiDatabase | 575 | 8 | 2 | 7 | 5.7 | COc1cc(ccc1Cc1cn(c2c1cc(cc2)NC(=O)OC1CCCC1)C)C(=O)NS(=O)(=O)c1ccccc1C | None | ||
3325 | 3841 | 0 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | Guide to Pharmacology | 361 | 14 | 3 | 4 | 4.0 | CCCCC/C=C\C[C@H](/C=C/c1cccc(n1)C[C@H](CCCCO)O)O | 10513580 | ||
6449854 | 3841 | 0 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | Guide to Pharmacology | 361 | 14 | 3 | 4 | 4.0 | CCCCC/C=C\C[C@H](/C=C/c1cccc(n1)C[C@H](CCCCO)O)O | 10513580 | ||
3351 | 2370 | 0 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | Guide to Pharmacology | 360 | 10 | 2 | 6 | 3.6 | CCc1c(OCCCCCC(c2nnn[nH]2)(C)C)cc(cc1C(=O)C)O | 1659282 | ||
35025716 | 2370 | 0 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | Guide to Pharmacology | 360 | 10 | 2 | 6 | 3.6 | CCc1c(OCCCCCC(c2nnn[nH]2)(C)C)cc(cc1C(=O)C)O | 1659282 | ||
3405 | 11 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | Guide to Pharmacology | 320 | 14 | 2 | 2 | 5.2 | CCCCC/C=C\C[C@H](/C=C/C=C\C/C=C\CCCC(=O)O)O | 9177352 | ||
5283156 | 11 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | Guide to Pharmacology | 320 | 14 | 2 | 2 | 5.2 | CCCCC/C=C\C[C@H](/C=C/C=C\C/C=C\CCCC(=O)O)O | 9177352 | ||
CHEMBL1435825 | 11 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | Guide to Pharmacology | 320 | 14 | 2 | 2 | 5.2 | CCCCC/C=C\C[C@H](/C=C/C=C\C/C=C\CCCC(=O)O)O | 9177352 | ||
177941 | 1558 | 40 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | Guide to Pharmacology | 544 | 13 | 2 | 5 | 8.1 | CCCc1c(OCCCOc2cc(O)c(cc2CC)c2ccc(cc2)F)cccc1Oc1ccccc1C(=O)O | 9862783 | ||
2948 | 1558 | 40 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | Guide to Pharmacology | 544 | 13 | 2 | 5 | 8.1 | CCCc1c(OCCCOc2cc(O)c(cc2CC)c2ccc(cc2)F)cccc1Oc1ccccc1C(=O)O | 9862783 | ||
CHEMBL329123 | 1558 | 40 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | Guide to Pharmacology | 544 | 13 | 2 | 5 | 8.1 | CCCc1c(OCCCOc2cc(O)c(cc2CC)c2ccc(cc2)F)cccc1Oc1ccccc1C(=O)O | 9862783 | ||
DB12850 | 1558 | 40 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | Guide to Pharmacology | 544 | 13 | 2 | 5 | 8.1 | CCCc1c(OCCCOc2cc(O)c(cc2CC)c2ccc(cc2)F)cccc1Oc1ccccc1C(=O)O | 9862783 | ||
114999 | 3482 | 15 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | Guide to Pharmacology | 484 | 13 | 1 | 6 | 5.4 | CCCc1c(OCCCOc2ccc(c(c2CCC)OC)C(=O)C)ccc2c1OC(CC2)C(=O)O | 7786309 | ||
6156 | 3482 | 15 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | Guide to Pharmacology | 484 | 13 | 1 | 6 | 5.4 | CCCc1c(OCCCOc2ccc(c(c2CCC)OC)C(=O)C)ccc2c1OC(CC2)C(=O)O | 7786309 | ||
CHEMBL14823 | 3482 | 15 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | Guide to Pharmacology | 484 | 13 | 1 | 6 | 5.4 | CCCc1c(OCCCOc2ccc(c(c2CCC)OC)C(=O)C)ccc2c1OC(CC2)C(=O)O | 7786309 | ||
3399 | 42 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | Guide to Pharmacology | 352 | 15 | 4 | 4 | 3.1 | OCCCCC/C=C\C[C@H](/C=C/C=C/C=C\[C@H](CCCC(=O)O)O)O | 9177352 | ||
5280745 | 42 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | Guide to Pharmacology | 352 | 15 | 4 | 4 | 3.1 | OCCCCC/C=C\C[C@H](/C=C/C=C/C=C\[C@H](CCCC(=O)O)O)O | 9177352 | ||
CHEMBL1593789 | 42 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | Guide to Pharmacology | 352 | 15 | 4 | 4 | 3.1 | OCCCCC/C=C\C[C@H](/C=C/C=C/C=C\[C@H](CCCC(=O)O)O)O | 9177352 | ||
6155 | 1153 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | Guide to Pharmacology | 428 | 4 | 2 | 3 | 5.4 | O[C@@H]1[C@H](COc2c1ccc(c2)c1cc(ccc1C(=O)O)C(F)(F)F)Cc1ccccc1 | 9618393 | ||
9823886 | 1153 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | Guide to Pharmacology | 428 | 4 | 2 | 3 | 5.4 | O[C@@H]1[C@H](COc2c1ccc(c2)c1cc(ccc1C(=O)O)C(F)(F)F)Cc1ccccc1 | 9618393 | ||
CHEMBL301829 | 1153 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | Guide to Pharmacology | 428 | 4 | 2 | 3 | 5.4 | O[C@@H]1[C@H](COc2c1ccc(c2)c1cc(ccc1C(=O)O)C(F)(F)F)Cc1ccccc1 | 9618393 | ||
DB13053 | 1153 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | Guide to Pharmacology | 428 | 4 | 2 | 3 | 5.4 | O[C@@H]1[C@H](COc2c1ccc(c2)c1cc(ccc1C(=O)O)C(F)(F)F)Cc1ccccc1 | 9618393 | ||
6157 | 2889 | 16 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | Guide to Pharmacology | 470 | 17 | 2 | 5 | 5.6 | COc1ccc(cc1)/C=C/CCCCOc1cccc(c1CCC(=O)O)OCCCCC(=O)O | 1332129 | ||
6438358 | 2889 | 16 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | Guide to Pharmacology | 470 | 17 | 2 | 5 | 5.6 | COc1ccc(cc1)/C=C/CCCCOc1cccc(c1CCC(=O)O)OCCCCC(=O)O | 1332129 | ||
CHEMBL422420 | 2889 | 16 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | Guide to Pharmacology | 470 | 17 | 2 | 5 | 5.6 | COc1ccc(cc1)/C=C/CCCCOc1cccc(c1CCC(=O)O)OCCCCC(=O)O | 1332129 | ||
6154 | 627 | 0 | None | - | 1 | Human | 8.8 | pKi | = | 8.8 | Binding | Guide to Pharmacology | 466 | 9 | 3 | 4 | 6.2 | Oc1ccc(cc1)C(c1ccc(cc1)OCc1cccc(c1)COc1ccc(cc1)C(=N)N)(C)C | 11259574 | ||
6154 | 627 | 0 | None | - | 1 | Human | 8.8 | pKi | = | 8.8 | Binding | Guide to Pharmacology | 466 | 9 | 3 | 4 | 6.2 | Oc1ccc(cc1)C(c1ccc(cc1)OCc1cccc(c1)COc1ccc(cc1)C(=N)N)(C)C | 17170051 | ||
9956189 | 627 | 0 | None | - | 1 | Human | 8.8 | pKi | = | 8.8 | Binding | Guide to Pharmacology | 466 | 9 | 3 | 4 | 6.2 | Oc1ccc(cc1)C(c1ccc(cc1)OCc1cccc(c1)COc1ccc(cc1)C(=N)N)(C)C | 11259574 | ||
9956189 | 627 | 0 | None | - | 1 | Human | 8.8 | pKi | = | 8.8 | Binding | Guide to Pharmacology | 466 | 9 | 3 | 4 | 6.2 | Oc1ccc(cc1)C(c1ccc(cc1)OCc1cccc(c1)COc1ccc(cc1)C(=N)N)(C)C | 17170051 | ||
2487 | 2336 | 32 | None | 31 | 2 | Human | 9.4 | pKi | = | 9.4 | Binding | Guide to Pharmacology | 336 | 14 | 3 | 3 | 4.2 | CCCCC/C=C\C[C@H](/C=C/C=C/C=C\[C@H](CCCC(=O)O)O)O | None | ||
5280492 | 2336 | 32 | None | 31 | 2 | Human | 9.4 | pKi | = | 9.4 | Binding | Guide to Pharmacology | 336 | 14 | 3 | 3 | 4.2 | CCCCC/C=C\C[C@H](/C=C/C=C/C=C\[C@H](CCCC(=O)O)O)O | None | ||
CHEMBL65061 | 2336 | 32 | None | 31 | 2 | Human | 9.4 | pKi | = | 9.4 | Binding | Guide to Pharmacology | 336 | 14 | 3 | 3 | 4.2 | CCCCC/C=C\C[C@H](/C=C/C=C/C=C\[C@H](CCCC(=O)O)O)O | None | ||
DB12961 | 2336 | 32 | None | 31 | 2 | Human | 9.4 | pKi | = | 9.4 | Binding | Guide to Pharmacology | 336 | 14 | 3 | 3 | 4.2 | CCCCC/C=C\C[C@H](/C=C/C=C/C=C\[C@H](CCCC(=O)O)O)O | None | ||
2855 | 4069 | 100 | None | -147 | 6 | Human | 8.3 | pKi | None | 8.3 | Binding | Drug Central | 575 | 8 | 2 | 7 | 5.7 | COc1cc(ccc1Cc1cn(c2c1cc(cc2)NC(=O)OC1CCCC1)C)C(=O)NS(=O)(=O)c1ccccc1C | None | ||
3322 | 4069 | 100 | None | -147 | 6 | Human | 8.3 | pKi | None | 8.3 | Binding | Drug Central | 575 | 8 | 2 | 7 | 5.7 | COc1cc(ccc1Cc1cn(c2c1cc(cc2)NC(=O)OC1CCCC1)C)C(=O)NS(=O)(=O)c1ccccc1C | None | ||
5717 | 4069 | 100 | None | -147 | 6 | Human | 8.3 | pKi | None | 8.3 | Binding | Drug Central | 575 | 8 | 2 | 7 | 5.7 | COc1cc(ccc1Cc1cn(c2c1cc(cc2)NC(=O)OC1CCCC1)C)C(=O)NS(=O)(=O)c1ccccc1C | None | ||
CHEMBL603 | 4069 | 100 | None | -147 | 6 | Human | 8.3 | pKi | None | 8.3 | Binding | Drug Central | 575 | 8 | 2 | 7 | 5.7 | COc1cc(ccc1Cc1cn(c2c1cc(cc2)NC(=O)OC1CCCC1)C)C(=O)NS(=O)(=O)c1ccccc1C | None | ||
DB00549 | 4069 | 100 | None | -147 | 6 | Human | 8.3 | pKi | None | 8.3 | Binding | Drug Central | 575 | 8 | 2 | 7 | 5.7 | COc1cc(ccc1Cc1cn(c2c1cc(cc2)NC(=O)OC1CCCC1)C)C(=O)NS(=O)(=O)c1ccccc1C | None |