Ligand source activities (1 row/activity)
| Ligands (move mouse cursor over ligand name to see structure) | Receptor | Assay information | Chemical information | ||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Sel. page | Common name |
GPCRdb ID |
#Vendors |
Reference ligand |
Fold selectivity |
# Tested GPCRs |
Species |
p-value (-log) |
Activity Type |
Activity Relation |
Activity Value |
AssayType |
Assay Description |
Source |
Mol weight |
Rot Bonds |
H don |
H acc |
LogP |
Smiles |
DOI |
| 118710197 | 113606 | 0 | None | - | 1 | Human | 9.8 | pEC50 | = | 9.8 | Functional | ChEMBL | 470 | 8 | 2 | 5 | 3.0 | O=C(O)c1cc(F)ccc1S(=O)(=O)NCCCCN1C(=O)c2cccc3cccc(c23)C1=O | 10.1021/jm5007116 | ||
| CHEMBL3322513 | 113606 | 0 | None | - | 1 | Human | 9.8 | pEC50 | = | 9.8 | Functional | ChEMBL | 470 | 8 | 2 | 5 | 3.0 | O=C(O)c1cc(F)ccc1S(=O)(=O)NCCCCN1C(=O)c2cccc3cccc(c23)C1=O | 10.1021/jm5007116 | ||
| 10468943 | 1457 | 5 | None | -35 | 3 | Human | 6.0 | pEC50 | = | 6 | Functional | ChEMBL | 282 | 12 | 2 | 2 | 4.1 | CCCCCCCCCCCCOP(=S)(O)O | 10.1021/jm049609r | ||
| 6990 | 1457 | 5 | None | -35 | 3 | Human | 6.0 | pEC50 | = | 6 | Functional | ChEMBL | 282 | 12 | 2 | 2 | 4.1 | CCCCCCCCCCCCOP(=S)(O)O | 10.1021/jm049609r | ||
| CHEMBL191365 | 1457 | 5 | None | -35 | 3 | Human | 6.0 | pEC50 | = | 6 | Functional | ChEMBL | 282 | 12 | 2 | 2 | 4.1 | CCCCCCCCCCCCOP(=S)(O)O | 10.1021/jm049609r | ||
| 44343866 | 11092 | 0 | None | -2 | 2 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 433 | 19 | 3 | 3 | 5.4 | CCCCCCCC/C=C\CCCCCCCC(=O)NCCC(=O)P(O)(O)=S | 10.1016/j.bmcl.2004.04.061 | ||
| CHEMBL117798 | 11092 | 0 | None | -2 | 2 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 433 | 19 | 3 | 3 | 5.4 | CCCCCCCC/C=C\CCCCCCCC(=O)NCCC(=O)P(O)(O)=S | 10.1016/j.bmcl.2004.04.061 | ||
| 10136738 | 11027 | 0 | None | -5 | 2 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 417 | 19 | 3 | 3 | 5.2 | CCCCCCCC/C=C\CCCCCCCC(=O)NCCC(=O)P(=O)(O)O | 10.1021/acs.jmedchem.9b01287 | ||
| CHEMBL117529 | 11027 | 0 | None | -5 | 2 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 417 | 19 | 3 | 3 | 5.2 | CCCCCCCC/C=C\CCCCCCCC(=O)NCCC(=O)P(=O)(O)O | 10.1021/acs.jmedchem.9b01287 | ||
| 10136738 | 11027 | 0 | None | -5 | 2 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 417 | 19 | 3 | 3 | 5.2 | CCCCCCCC/C=C\CCCCCCCC(=O)NCCC(=O)P(=O)(O)O | 10.1016/j.bmcl.2004.04.061 | ||
| CHEMBL117529 | 11027 | 0 | None | -5 | 2 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 417 | 19 | 3 | 3 | 5.2 | CCCCCCCC/C=C\CCCCCCCC(=O)NCCC(=O)P(=O)(O)O | 10.1016/j.bmcl.2004.04.061 | ||
| 73296092 | 113601 | 22 | None | - | 1 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 452 | 8 | 2 | 5 | 2.9 | O=C(O)c1ccccc1S(=O)(=O)NCCCCN1C(=O)c2cccc3cccc(c23)C1=O | 10.1021/jm5007116 | ||
| CHEMBL3322502 | 113601 | 22 | None | - | 1 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 452 | 8 | 2 | 5 | 2.9 | O=C(O)c1ccccc1S(=O)(=O)NCCCCN1C(=O)c2cccc3cccc(c23)C1=O | 10.1021/jm5007116 | ||
| 73296094 | 113602 | 0 | None | - | 1 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 466 | 9 | 2 | 5 | 3.3 | O=C(O)c1ccccc1S(=O)(=O)NCCCCCN1C(=O)c2cccc3cccc(c23)C1=O | 10.1021/jm5007116 | ||
| CHEMBL3322503 | 113602 | 0 | None | - | 1 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 466 | 9 | 2 | 5 | 3.3 | O=C(O)c1ccccc1S(=O)(=O)NCCCCCN1C(=O)c2cccc3cccc(c23)C1=O | 10.1021/jm5007116 | ||
| 4030 | 1358 | 19 | None | -6 | 2 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 238 | 10 | 2 | 2 | 3.2 | CCCCCCCCCCOP(=O)(O)O | 10.1021/jm049609r | ||
| 62532 | 1358 | 19 | None | -6 | 2 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 238 | 10 | 2 | 2 | 3.2 | CCCCCCCCCCOP(=O)(O)O | 10.1021/jm049609r | ||
| CHEMBL361255 | 1358 | 19 | None | -6 | 2 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 238 | 10 | 2 | 2 | 3.2 | CCCCCCCCCCOP(=O)(O)O | 10.1021/jm049609r | ||
| 44343880 | 11044 | 0 | None | - | 1 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 421 | 19 | 3 | 2 | 6.0 | CCCCCCCC/C=C\CCCCCCCC(=O)NCCC(F)P(=O)(O)O | 10.1016/j.bmcl.2004.04.061 | ||
| CHEMBL117663 | 11044 | 0 | None | - | 1 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 421 | 19 | 3 | 2 | 6.0 | CCCCCCCC/C=C\CCCCCCCC(=O)NCCC(F)P(=O)(O)O | 10.1016/j.bmcl.2004.04.061 | ||
| 5311263 | 4157 | 22 | None | 1 | 7 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 436 | 20 | 3 | 5 | 5.0 | CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@@H](O)COP(=O)(O)O | 10.1021/jm5007116 | ||
| CHEMBL117021 | 4157 | 22 | None | 1 | 7 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 436 | 20 | 3 | 5 | 5.0 | CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@@H](O)COP(=O)(O)O | 10.1021/jm5007116 | ||
| 10180382 | 110562 | 0 | None | -1 | 2 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 419 | 19 | 4 | 3 | 5.0 | CCCCCCCC/C=C\CCCCCCCC(=O)NCCC(O)P(=O)(O)O | 10.1016/j.bmcl.2004.04.061 | ||
| CHEMBL325288 | 110562 | 0 | None | -1 | 2 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 419 | 19 | 4 | 3 | 5.0 | CCCCCCCC/C=C\CCCCCCCC(=O)NCCC(O)P(=O)(O)O | 10.1016/j.bmcl.2004.04.061 | ||
| 73053706 | 113600 | 0 | None | - | 1 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 438 | 7 | 2 | 5 | 2.5 | O=C(O)c1ccccc1S(=O)(=O)NCCCN1C(=O)c2cccc3cccc(c23)C1=O | 10.1021/jm5007116 | ||
| CHEMBL3322501 | 113600 | 0 | None | - | 1 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 438 | 7 | 2 | 5 | 2.5 | O=C(O)c1ccccc1S(=O)(=O)NCCCN1C(=O)c2cccc3cccc(c23)C1=O | 10.1021/jm5007116 | ||
| 11473989 | 67121 | 0 | None | -1 | 3 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 364 | 17 | 2 | 2 | 6.3 | CCCCCCCC/C=C/CCCCCCCCOP(O)(O)=S | 10.1021/jm049609r | ||
| CHEMBL187459 | 67121 | 0 | None | -1 | 3 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 364 | 17 | 2 | 2 | 6.3 | CCCCCCCC/C=C/CCCCCCCCOP(O)(O)=S | 10.1021/jm049609r | ||
| 11312936 | 67486 | 0 | None | -15 | 2 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 310 | 14 | 2 | 2 | 4.9 | CCCCCCCCCCCCCCOP(O)(O)=S | 10.1021/jm049609r | ||
| CHEMBL189296 | 67486 | 0 | None | -15 | 2 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 310 | 14 | 2 | 2 | 4.9 | CCCCCCCCCCCCCCOP(O)(O)=S | 10.1021/jm049609r | ||
| 2906 | 2355 | 18 | None | -1 | 12 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 436 | 20 | 3 | 5 | 5.0 | CCCCCCCC/C=C\CCCCCCCC(=O)OCC(COP(=O)(O)O)O | 10.1021/acs.jmedchem.6b01270 | ||
| 5395 | 2355 | 18 | None | -1 | 12 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 436 | 20 | 3 | 5 | 5.0 | CCCCCCCC/C=C\CCCCCCCC(=O)OCC(COP(=O)(O)O)O | 10.1021/acs.jmedchem.6b01270 | ||
| 5497152 | 2355 | 18 | None | -1 | 12 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 436 | 20 | 3 | 5 | 5.0 | CCCCCCCC/C=C\CCCCCCCC(=O)OCC(COP(=O)(O)O)O | 10.1021/acs.jmedchem.6b01270 | ||
| CHEMBL1222042 | 2355 | 18 | None | -1 | 12 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 436 | 20 | 3 | 5 | 5.0 | CCCCCCCC/C=C\CCCCCCCC(=O)OCC(COP(=O)(O)O)O | 10.1021/acs.jmedchem.6b01270 | ||
| 44343825 | 11061 | 24 | None | 6 | 2 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 405 | 19 | 3 | 3 | 5.2 | CCCCCCCC/C=C\CCCCCCCC(=O)NCCOP(=O)(O)O | 10.1016/j.bmcl.2004.04.061 | ||
| CHEMBL117754 | 11061 | 24 | None | 6 | 2 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 405 | 19 | 3 | 3 | 5.2 | CCCCCCCC/C=C\CCCCCCCC(=O)NCCOP(=O)(O)O | 10.1016/j.bmcl.2004.04.061 | ||
| 75816 | 67173 | 53 | None | -8 | 3 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 266 | 12 | 2 | 2 | 4.0 | CCCCCCCCCCCCOP(=O)(O)O | 10.1021/jm049609r | ||
| CHEMBL187711 | 67173 | 53 | None | -8 | 3 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 266 | 12 | 2 | 2 | 4.0 | CCCCCCCCCCCCOP(=O)(O)O | 10.1021/jm049609r | ||
| 3114900 | 113599 | 57 | None | 1 | 2 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 391 | 6 | 1 | 4 | 4.3 | O=C(O)c1ccccc1SCCCN1C(=O)c2cccc3cccc(c23)C1=O | 10.1021/jm5007116 | ||
| CHEMBL3322500 | 113599 | 57 | None | 1 | 2 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 391 | 6 | 1 | 4 | 4.3 | O=C(O)c1ccccc1SCCCN1C(=O)c2cccc3cccc(c23)C1=O | 10.1021/jm5007116 | ||
| 73296091 | 113605 | 0 | None | - | 1 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 478 | 6 | 1 | 6 | 2.8 | O=C(O)c1ccc2c(c1)S(=O)(=O)N(CCCCN1C(=O)c3cccc4cccc(c34)C1=O)C2=O | 10.1021/jm5007116 | ||
| CHEMBL3322509 | 113605 | 0 | None | - | 1 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 478 | 6 | 1 | 6 | 2.8 | O=C(O)c1ccc2c(c1)S(=O)(=O)N(CCCCN1C(=O)c3cccc4cccc(c34)C1=O)C2=O | 10.1021/jm5007116 | ||
| 11447695 | 124366 | 2 | None | -4 | 2 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 236 | 10 | 2 | 2 | 3.0 | C=CCCCCCCCCOP(=O)(O)O | 10.1021/jm049609r | ||
| CHEMBL363776 | 124366 | 2 | None | -4 | 2 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 236 | 10 | 2 | 2 | 3.0 | C=CCCCCCCCCOP(=O)(O)O | 10.1021/jm049609r | ||
| 11197104 | 67626 | 1 | None | -4 | 3 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 292 | 13 | 2 | 2 | 4.6 | CCCC/C=C/CCCCCCCCOP(=O)(O)O | 10.1021/jm049609r | ||
| CHEMBL190430 | 67626 | 1 | None | -4 | 3 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 292 | 13 | 2 | 2 | 4.6 | CCCC/C=C/CCCCCCCCOP(=O)(O)O | 10.1021/jm049609r | ||
| 11312382 | 67357 | 1 | None | -39 | 3 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 292 | 13 | 2 | 2 | 4.6 | CC/C=C/CCCCCCCCCCOP(=O)(O)O | 10.1021/jm049609r | ||
| CHEMBL188591 | 67357 | 1 | None | -39 | 3 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 292 | 13 | 2 | 2 | 4.6 | CC/C=C/CCCCCCCCCCOP(=O)(O)O | 10.1021/jm049609r | ||
| 11242245 | 67198 | 5 | None | -37 | 2 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 254 | 10 | 2 | 2 | 3.4 | CCCCCCCCCCOP(O)(O)=S | 10.1021/jm049609r | ||
| CHEMBL187795 | 67198 | 5 | None | -37 | 2 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 254 | 10 | 2 | 2 | 3.4 | CCCCCCCCCCOP(O)(O)=S | 10.1021/jm049609r | ||
| 11220562 | 67109 | 0 | None | -16 | 2 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 308 | 13 | 2 | 2 | 4.7 | CCCC/C=C/CCCCCCCCOP(O)(O)=S | 10.1021/jm049609r | ||
| CHEMBL187402 | 67109 | 0 | None | -16 | 2 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 308 | 13 | 2 | 2 | 4.7 | CCCC/C=C/CCCCCCCCOP(O)(O)=S | 10.1021/jm049609r | ||
| 73296090 | 113603 | 0 | None | - | 1 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 530 | 8 | 2 | 5 | 3.7 | O=C(O)c1ccc(Br)cc1S(=O)(=O)NCCCCN1C(=O)c2cccc3cccc(c23)C1=O | 10.1021/jm5007116 | ||
| CHEMBL3322507 | 113603 | 0 | None | - | 1 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 530 | 8 | 2 | 5 | 3.7 | O=C(O)c1ccc(Br)cc1S(=O)(=O)NCCCCN1C(=O)c2cccc3cccc(c23)C1=O | 10.1021/jm5007116 | ||
| 5311263 | 4157 | 22 | None | 1 | 7 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 436 | 20 | 3 | 5 | 5.0 | CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@@H](O)COP(=O)(O)O | 10.1016/j.bmcl.2004.04.061 | ||
| CHEMBL117021 | 4157 | 22 | None | 1 | 7 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 436 | 20 | 3 | 5 | 5.0 | CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@@H](O)COP(=O)(O)O | 10.1016/j.bmcl.2004.04.061 | ||
| 118710194 | 113604 | 0 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 530 | 8 | 2 | 5 | 3.7 | O=C(O)c1cc(Br)ccc1S(=O)(=O)NCCCCN1C(=O)c2cccc3cccc(c23)C1=O | 10.1021/jm5007116 | ||
| CHEMBL3322508 | 113604 | 0 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 530 | 8 | 2 | 5 | 3.7 | O=C(O)c1cc(Br)ccc1S(=O)(=O)NCCCCN1C(=O)c2cccc3cccc(c23)C1=O | 10.1021/jm5007116 | ||
| 11208266 | 67632 | 1 | None | -25 | 2 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 280 | 11 | 2 | 2 | 3.9 | CC/C=C/CCCCCCCCOP(O)(O)=S | 10.1021/jm049609r | ||
| CHEMBL190484 | 67632 | 1 | None | -25 | 2 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 280 | 11 | 2 | 2 | 3.9 | CC/C=C/CCCCCCCCOP(O)(O)=S | 10.1021/jm049609r | ||
| 11219269 | 67617 | 1 | None | -22 | 2 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 264 | 11 | 2 | 2 | 3.8 | CC/C=C/CCCCCCCCOP(=O)(O)O | 10.1021/jm049609r | ||
| CHEMBL190349 | 67617 | 1 | None | -22 | 2 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 264 | 11 | 2 | 2 | 3.8 | CC/C=C/CCCCCCCCOP(=O)(O)O | 10.1021/jm049609r | ||
| 168273201 | 190426 | 0 | None | - | 1 | Human | 4.9 | pIC50 | = | 4.9 | Functional | ChEMBL | 422 | 6 | 2 | 6 | 4.7 | COC(=O)COc1ccc(-c2n[nH]c(C)c2Oc2ccc(Cl)cc2Cl)c(O)c1 | 10.1021/acs.jmedchem.2c00046 | ||
| CHEMBL5178032 | 190426 | 0 | None | - | 1 | Human | 4.9 | pIC50 | = | 4.9 | Functional | ChEMBL | 422 | 6 | 2 | 6 | 4.7 | COC(=O)COc1ccc(-c2n[nH]c(C)c2Oc2ccc(Cl)cc2Cl)c(O)c1 | 10.1021/acs.jmedchem.2c00046 | ||
| 10367662 | 2186 | 91 | None | -6 | 4 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 474 | 9 | 2 | 6 | 6.3 | OC(=O)CCSCc1ccc(cc1)c1onc(c1NC(=O)OC(c1ccccc1Cl)C)C | 10.1021/acs.jmedchem.2c00046 | ||
| 2907 | 2186 | 91 | None | -6 | 4 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 474 | 9 | 2 | 6 | 6.3 | OC(=O)CCSCc1ccc(cc1)c1onc(c1NC(=O)OC(c1ccccc1Cl)C)C | 10.1021/acs.jmedchem.2c00046 | ||
| CHEMBL361501 | 2186 | 91 | None | -6 | 4 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 474 | 9 | 2 | 6 | 6.3 | OC(=O)CCSCc1ccc(cc1)c1onc(c1NC(=O)OC(c1ccccc1Cl)C)C | 10.1021/acs.jmedchem.2c00046 | ||
| 44454305 | 97604 | 0 | None | - | 1 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 445 | 6 | 1 | 6 | 4.3 | COc1ccccc1N1CCN(C[C@H](C)Nc2nc(C(F)(F)F)nc3ccccc23)CC1 | 10.1016/j.bmcl.2007.12.024 | ||
| CHEMBL270877 | 97604 | 0 | None | - | 1 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 445 | 6 | 1 | 6 | 4.3 | COc1ccccc1N1CCN(C[C@H](C)Nc2nc(C(F)(F)F)nc3ccccc23)CC1 | 10.1016/j.bmcl.2007.12.024 | ||
| 122191544 | 123703 | 0 | None | -5 | 4 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 484 | 18 | 3 | 4 | 5.4 | CCCCCC/C=C\CCCCCCCC(=O)OC[C@@H](O)CC(Br)P(=O)(O)O | 10.1039/C4MD00333K | ||
| CHEMBL3621964 | 123703 | 0 | None | -5 | 4 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 484 | 18 | 3 | 4 | 5.4 | CCCCCC/C=C\CCCCCCCC(=O)OC[C@@H](O)CC(Br)P(=O)(O)O | 10.1039/C4MD00333K | ||
| 24882686 | 95306 | 37 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 499 | 6 | 1 | 7 | 4.1 | Cc1csc2c(N[C@@H](C)CN3CCN(S(=O)(=O)c4ccc(Cl)c(Cl)c4)CC3)ncnc12 | 10.1016/j.bmcl.2007.12.024 | ||
| CHEMBL256470 | 95306 | 37 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 499 | 6 | 1 | 7 | 4.1 | Cc1csc2c(N[C@@H](C)CN3CCN(S(=O)(=O)c4ccc(Cl)c(Cl)c4)CC3)ncnc12 | 10.1016/j.bmcl.2007.12.024 | ||
| 44454136 | 155066 | 0 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 445 | 6 | 1 | 7 | 3.1 | Cc1ccc(S(=O)(=O)N2CCN(C[C@H](C)Nc3ncnc4c(C)csc34)CC2)cc1 | 10.1016/j.bmcl.2007.12.024 | ||
| CHEMBL401756 | 155066 | 0 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 445 | 6 | 1 | 7 | 3.1 | Cc1ccc(S(=O)(=O)N2CCN(C[C@H](C)Nc3ncnc4c(C)csc34)CC2)cc1 | 10.1016/j.bmcl.2007.12.024 | ||
| 44454370 | 155160 | 0 | None | - | 1 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 405 | 6 | 1 | 5 | 4.3 | CC(CN1CCN(c2ccc(F)cc2)CC1)Nc1nc(C2CC2)nc2ccccc12 | 10.1016/j.bmcl.2007.12.024 | ||
| CHEMBL402218 | 155160 | 0 | None | - | 1 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 405 | 6 | 1 | 5 | 4.3 | CC(CN1CCN(c2ccc(F)cc2)CC1)Nc1nc(C2CC2)nc2ccccc12 | 10.1016/j.bmcl.2007.12.024 | ||
| 2905 | 389 | 49 | None | -81 | 7 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 490 | 7 | 2 | 5 | 6.9 | OC(=O)Cc1ccc(cc1)c1ccc(cc1)c1onc(c1NC(=O)O[C@@H](c1ccccc1Cl)C)C | 10.1039/C4MD00333K | ||
| 46240292 | 389 | 49 | None | -81 | 7 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 490 | 7 | 2 | 5 | 6.9 | OC(=O)Cc1ccc(cc1)c1ccc(cc1)c1onc(c1NC(=O)O[C@@H](c1ccccc1Cl)C)C | 10.1039/C4MD00333K | ||
| CHEMBL3621966 | 389 | 49 | None | -81 | 7 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 490 | 7 | 2 | 5 | 6.9 | OC(=O)Cc1ccc(cc1)c1ccc(cc1)c1onc(c1NC(=O)O[C@@H](c1ccccc1Cl)C)C | 10.1039/C4MD00333K | ||
| 44454164 | 155026 | 0 | None | - | 1 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 445 | 7 | 1 | 7 | 2.9 | Cc1csc2c(N[C@@H](C)CN3CCN(S(=O)(=O)Cc4ccccc4)CC3)ncnc12 | 10.1016/j.bmcl.2007.12.024 | ||
| CHEMBL401543 | 155026 | 0 | None | - | 1 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 445 | 7 | 1 | 7 | 2.9 | Cc1csc2c(N[C@@H](C)CN3CCN(S(=O)(=O)Cc4ccccc4)CC3)ncnc12 | 10.1016/j.bmcl.2007.12.024 | ||
| 12522 | 3912 | 1 | None | - | 1 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 432 | 6 | 3 | 7 | 4.3 | ClC1=C(OC=2C(=NNC2C)C3=C(C=C(C=C3)OCC4=NN=NN4)O)C=CC(=C1)Cl | 10.1021/acs.jmedchem.2c00046 | ||
| 164946717 | 3912 | 1 | None | - | 1 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 432 | 6 | 3 | 7 | 4.3 | ClC1=C(OC=2C(=NNC2C)C3=C(C=C(C=C3)OCC4=NN=NN4)O)C=CC(=C1)Cl | 10.1021/acs.jmedchem.2c00046 | ||
| CHEMBL5182278 | 3912 | 1 | None | - | 1 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 432 | 6 | 3 | 7 | 4.3 | ClC1=C(OC=2C(=NNC2C)C3=C(C=C(C=C3)OCC4=NN=NN4)O)C=CC(=C1)Cl | 10.1021/acs.jmedchem.2c00046 | ||
| 744590 | 191236 | 27 | None | 10 | 2 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 304 | 6 | 4 | 4 | 0.8 | O=C(O)/C=C/C(=O)Nc1cccc(NC(=O)/C=C/C(=O)O)c1 | 10.1016/j.bmc.2008.04.035 | ||
| CHEMBL519002 | 191236 | 27 | None | 10 | 2 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 304 | 6 | 4 | 4 | 0.8 | O=C(O)/C=C/C(=O)Nc1cccc(NC(=O)/C=C/C(=O)O)c1 | 10.1016/j.bmc.2008.04.035 | ||
| 744590 | 191236 | 27 | None | 10 | 2 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 304 | 6 | 4 | 4 | 0.8 | O=C(O)/C=C/C(=O)Nc1cccc(NC(=O)/C=C/C(=O)O)c1 | 10.1016/j.bmc.2009.09.022 | ||
| CHEMBL519002 | 191236 | 27 | None | 10 | 2 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 304 | 6 | 4 | 4 | 0.8 | O=C(O)/C=C/C(=O)Nc1cccc(NC(=O)/C=C/C(=O)O)c1 | 10.1016/j.bmc.2009.09.022 | ||
| 44454059 | 155581 | 0 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 381 | 5 | 1 | 6 | 3.9 | Cc1ccccc1N1CCN(C[C@H](C)Nc2ncnc3c(C)csc23)CC1 | 10.1016/j.bmcl.2007.12.024 | ||
| CHEMBL404452 | 155581 | 0 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 381 | 5 | 1 | 6 | 3.9 | Cc1ccccc1N1CCN(C[C@H](C)Nc2ncnc3c(C)csc23)CC1 | 10.1016/j.bmcl.2007.12.024 | ||
| 1105689 | 184086 | 38 | None | 489 | 2 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 380 | 7 | 4 | 4 | 2.5 | O=C(O)/C=C/C(=O)Nc1ccc(-c2ccc(NC(=O)/C=C/C(=O)O)cc2)cc1 | 10.1016/j.bmc.2008.04.035 | ||
| CHEMBL482497 | 184086 | 38 | None | 489 | 2 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 380 | 7 | 4 | 4 | 2.5 | O=C(O)/C=C/C(=O)Nc1ccc(-c2ccc(NC(=O)/C=C/C(=O)O)cc2)cc1 | 10.1016/j.bmc.2008.04.035 | ||
| 44454163 | 166520 | 0 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 445 | 6 | 1 | 7 | 3.1 | Cc1cccc(S(=O)(=O)N2CCN(C[C@H](C)Nc3ncnc4c(C)csc34)CC2)c1 | 10.1016/j.bmcl.2007.12.024 | ||
| CHEMBL427893 | 166520 | 0 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 445 | 6 | 1 | 7 | 3.1 | Cc1cccc(S(=O)(=O)N2CCN(C[C@H](C)Nc3ncnc4c(C)csc34)CC2)c1 | 10.1016/j.bmcl.2007.12.024 | ||
| 168289827 | 191316 | 0 | None | - | 1 | Human | 4.5 | pIC50 | = | 4.5 | Functional | ChEMBL | 400 | 6 | 3 | 7 | 3.3 | Cc1[nH]nc(-c2ccc(OCc3nnn[nH]3)cc2O)c1Oc1ccc(F)cc1F | 10.1021/acs.jmedchem.2c00046 | ||
| CHEMBL5191342 | 191316 | 0 | None | - | 1 | Human | 4.5 | pIC50 | = | 4.5 | Functional | ChEMBL | 400 | 6 | 3 | 7 | 3.3 | Cc1[nH]nc(-c2ccc(OCc3nnn[nH]3)cc2O)c1Oc1ccc(F)cc1F | 10.1021/acs.jmedchem.2c00046 | ||
| 44454306 | 97605 | 0 | None | - | 1 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 417 | 7 | 1 | 6 | 4.1 | COc1ccccc1N1CCN(C[C@H](C)Nc2nc(C3CC3)nc3ccccc23)CC1 | 10.1016/j.bmcl.2007.12.024 | ||
| CHEMBL270878 | 97605 | 0 | None | - | 1 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 417 | 7 | 1 | 6 | 4.1 | COc1ccccc1N1CCN(C[C@H](C)Nc2nc(C3CC3)nc3ccccc23)CC1 | 10.1016/j.bmcl.2007.12.024 | ||
| 44454091 | 97602 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 465 | 6 | 1 | 7 | 3.5 | Cc1csc2c(N[C@@H](C)CN3CCN(S(=O)(=O)c4cccc(Cl)c4)CC3)ncnc12 | 10.1016/j.bmcl.2007.12.024 | ||
| CHEMBL270865 | 97602 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 465 | 6 | 1 | 7 | 3.5 | Cc1csc2c(N[C@@H](C)CN3CCN(S(=O)(=O)c4cccc(Cl)c4)CC3)ncnc12 | 10.1016/j.bmcl.2007.12.024 | ||
| 5861754 | 184768 | 2 | None | -11 | 2 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 348 | 7 | 5 | 5 | 0.5 | O=C(O)/C=C/C(=O)Nc1cccc(NC(=O)/C=C/C(=O)O)c1C(=O)O | 10.1016/j.bmc.2008.04.035 | ||
| CHEMBL485119 | 184768 | 2 | None | -11 | 2 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 348 | 7 | 5 | 5 | 0.5 | O=C(O)/C=C/C(=O)Nc1cccc(NC(=O)/C=C/C(=O)O)c1C(=O)O | 10.1016/j.bmc.2008.04.035 | ||
| 5861754 | 184768 | 2 | None | -11 | 2 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 348 | 7 | 5 | 5 | 0.5 | O=C(O)/C=C/C(=O)Nc1cccc(NC(=O)/C=C/C(=O)O)c1C(=O)O | 10.1016/j.bmc.2009.09.022 | ||
| CHEMBL485119 | 184768 | 2 | None | -11 | 2 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 348 | 7 | 5 | 5 | 0.5 | O=C(O)/C=C/C(=O)Nc1cccc(NC(=O)/C=C/C(=O)O)c1C(=O)O | 10.1016/j.bmc.2009.09.022 | ||
| 44437393 | 14706 | 0 | None | -91 | 4 | Human | 4.4 | pIC50 | = | 4.4 | Functional | ChEMBL | 608 | 17 | 2 | 5 | 9.5 | CCCCCCCCCCC#CC(O)c1ccccc1-c1ccc(Sc2ccc(OCCCC)cc2)c(S(=O)(=O)O)c1 | 10.1016/j.bmc.2007.02.048 | ||
| CHEMBL1206181 | 14706 | 0 | None | -91 | 4 | Human | 4.4 | pIC50 | = | 4.4 | Functional | ChEMBL | 608 | 17 | 2 | 5 | 9.5 | CCCCCCCCCCC#CC(O)c1ccccc1-c1ccc(Sc2ccc(OCCCC)cc2)c(S(=O)(=O)O)c1 | 10.1016/j.bmc.2007.02.048 | ||
| CHEMBL239659 | 14706 | 0 | None | -91 | 4 | Human | 4.4 | pIC50 | = | 4.4 | Functional | ChEMBL | 608 | 17 | 2 | 5 | 9.5 | CCCCCCCCCCC#CC(O)c1ccccc1-c1ccc(Sc2ccc(OCCCC)cc2)c(S(=O)(=O)O)c1 | 10.1016/j.bmc.2007.02.048 | ||
| 168281297 | 190805 | 0 | None | - | 1 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 376 | 6 | 3 | 5 | 3.6 | Cc1[nH]nc(-c2ccc(OCC(=O)O)cc2O)c1Oc1ccc(F)cc1F | 10.1021/acs.jmedchem.2c00046 | ||
| CHEMBL5183786 | 190805 | 0 | None | - | 1 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 376 | 6 | 3 | 5 | 3.6 | Cc1[nH]nc(-c2ccc(OCC(=O)O)cc2O)c1Oc1ccc(F)cc1F | 10.1021/acs.jmedchem.2c00046 | ||
| 1069051 | 190887 | 1 | None | - | 1 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 408 | 6 | 3 | 5 | 4.7 | Cc1[nH]nc(-c2ccc(OCC(=O)O)cc2O)c1Oc1ccc(Cl)cc1Cl | 10.1021/acs.jmedchem.2c00046 | ||
| CHEMBL5184934 | 190887 | 1 | None | - | 1 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 408 | 6 | 3 | 5 | 4.7 | Cc1[nH]nc(-c2ccc(OCC(=O)O)cc2O)c1Oc1ccc(Cl)cc1Cl | 10.1021/acs.jmedchem.2c00046 | ||
| 78401 | 67847 | 60 | None | -1 | 2 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 278 | 13 | 2 | 1 | 4.9 | CCCCCCCCCCCCCCP(=O)(O)O | 10.1021/jm049609r | ||
| CHEMBL190999 | 67847 | 60 | None | -1 | 2 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 278 | 13 | 2 | 1 | 4.9 | CCCCCCCCCCCCCCP(=O)(O)O | 10.1021/jm049609r | ||
| 44437418 | 14829 | 0 | None | -47 | 4 | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 612 | 17 | 3 | 7 | 6.9 | CCCCOc1ccc(Sc2ccc(-c3ccccc3C(O)C#CCOCCCCCCCO)cc2S(=O)(=O)O)cc1 | 10.1016/j.bmc.2007.02.048 | ||
| CHEMBL1207343 | 14829 | 0 | None | -47 | 4 | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 612 | 17 | 3 | 7 | 6.9 | CCCCOc1ccc(Sc2ccc(-c3ccccc3C(O)C#CCOCCCCCCCO)cc2S(=O)(=O)O)cc1 | 10.1016/j.bmc.2007.02.048 | ||
| CHEMBL397081 | 14829 | 0 | None | -47 | 4 | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 612 | 17 | 3 | 7 | 6.9 | CCCCOc1ccc(Sc2ccc(-c3ccccc3C(O)C#CCOCCCCCCCO)cc2S(=O)(=O)O)cc1 | 10.1016/j.bmc.2007.02.048 | ||
| 44454191 | 97485 | 0 | None | - | 1 | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 411 | 8 | 1 | 7 | 2.5 | CCCCS(=O)(=O)N1CCN(C[C@H](C)Nc2ncnc3c(C)csc23)CC1 | 10.1016/j.bmcl.2007.12.024 | ||
| CHEMBL270237 | 97485 | 0 | None | - | 1 | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 411 | 8 | 1 | 7 | 2.5 | CCCCS(=O)(=O)N1CCN(C[C@H](C)Nc2ncnc3c(C)csc23)CC1 | 10.1016/j.bmcl.2007.12.024 | ||
| 44454215 | 155064 | 0 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 429 | 5 | 1 | 5 | 4.6 | Cc1ccccc1N1CCN(C[C@H](C)Nc2nc(C(F)(F)F)nc3ccccc23)CC1 | 10.1016/j.bmcl.2007.12.024 | ||
| CHEMBL401747 | 155064 | 0 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 429 | 5 | 1 | 5 | 4.6 | Cc1ccccc1N1CCN(C[C@H](C)Nc2nc(C(F)(F)F)nc3ccccc23)CC1 | 10.1016/j.bmcl.2007.12.024 | ||
| 44454165 | 167421 | 0 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 445 | 6 | 1 | 7 | 3.1 | Cc1ccccc1S(=O)(=O)N1CCN(C[C@H](C)Nc2ncnc3c(C)csc23)CC1 | 10.1016/j.bmcl.2007.12.024 | ||
| CHEMBL429681 | 167421 | 0 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 445 | 6 | 1 | 7 | 3.1 | Cc1ccccc1S(=O)(=O)N1CCN(C[C@H](C)Nc2ncnc3c(C)csc23)CC1 | 10.1016/j.bmcl.2007.12.024 | ||
| 2260227 | 184087 | 10 | None | 138 | 3 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 488 | 10 | 4 | 6 | 4.4 | O=C(O)/C=C/C(=O)Nc1ccc(Oc2cccc(Oc3ccc(NC(=O)/C=C/C(=O)O)cc3)c2)cc1 | 10.1016/j.bmc.2008.04.035 | ||
| CHEMBL482498 | 184087 | 10 | None | 138 | 3 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 488 | 10 | 4 | 6 | 4.4 | O=C(O)/C=C/C(=O)Nc1ccc(Oc2cccc(Oc3ccc(NC(=O)/C=C/C(=O)O)cc3)c2)cc1 | 10.1016/j.bmc.2008.04.035 | ||
| 2260227 | 184087 | 10 | None | 138 | 3 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 488 | 10 | 4 | 6 | 4.4 | O=C(O)/C=C/C(=O)Nc1ccc(Oc2cccc(Oc3ccc(NC(=O)/C=C/C(=O)O)cc3)c2)cc1 | 10.1016/j.bmc.2009.09.022 | ||
| CHEMBL482498 | 184087 | 10 | None | 138 | 3 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 488 | 10 | 4 | 6 | 4.4 | O=C(O)/C=C/C(=O)Nc1ccc(Oc2cccc(Oc3ccc(NC(=O)/C=C/C(=O)O)cc3)c2)cc1 | 10.1016/j.bmc.2009.09.022 | ||
| 16725999 | 731 | 1 | None | - | 2 | Human | 6.8 | pKi | = | 6.8 | Functional | ChEMBL | 486 | 19 | 3 | 4 | 5.7 | CCCCCCCCCCCCCCCC(=O)OC[C@H](CC(P(=O)(O)O)Br)O | 10.1039/C4MD00255E | ||
| 6985 | 731 | 1 | None | - | 2 | Human | 6.8 | pKi | = | 6.8 | Functional | ChEMBL | 486 | 19 | 3 | 4 | 5.7 | CCCCCCCCCCCCCCCC(=O)OC[C@H](CC(P(=O)(O)O)Br)O | 10.1039/C4MD00255E | ||
| CHEMBL3621357 | 731 | 1 | None | - | 2 | Human | 6.8 | pKi | = | 6.8 | Functional | ChEMBL | 486 | 19 | 3 | 4 | 5.7 | CCCCCCCCCCCCCCCC(=O)OC[C@H](CC(P(=O)(O)O)Br)O | 10.1039/C4MD00255E | ||
| 87470750 | 123817 | 0 | None | - | 0 | Human | 6.8 | pKi | = | 6.8 | Functional | ChEMBL | 512 | 20 | 3 | 4 | 6.2 | CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@@H](O)CC(Br)P(=O)(O)O | 10.1039/C4MD00255E | ||
| CHEMBL3621353 | 123817 | 0 | None | - | 0 | Human | 6.8 | pKi | = | 6.8 | Functional | ChEMBL | 512 | 20 | 3 | 4 | 6.2 | CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@@H](O)CC(Br)P(=O)(O)O | 10.1039/C4MD00255E | ||
| CHEMBL3623936 | 123817 | 0 | None | - | 0 | Human | 6.8 | pKi | = | 6.8 | Functional | ChEMBL | 512 | 20 | 3 | 4 | 6.2 | CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@@H](O)CC(Br)P(=O)(O)O | 10.1039/C4MD00255E | ||
| 744590 | 191236 | 27 | None | 10 | 2 | Human | 7.7 | pKi | = | 7.7 | Functional | ChEMBL | 304 | 6 | 4 | 4 | 0.8 | O=C(O)/C=C/C(=O)Nc1cccc(NC(=O)/C=C/C(=O)O)c1 | 10.1016/j.bmc.2008.04.035 | ||
| CHEMBL519002 | 191236 | 27 | None | 10 | 2 | Human | 7.7 | pKi | = | 7.7 | Functional | ChEMBL | 304 | 6 | 4 | 4 | 0.8 | O=C(O)/C=C/C(=O)Nc1cccc(NC(=O)/C=C/C(=O)O)c1 | 10.1016/j.bmc.2008.04.035 | ||
| 1105689 | 184086 | 38 | None | 489 | 2 | Human | 7.7 | pKi | = | 7.7 | Functional | ChEMBL | 380 | 7 | 4 | 4 | 2.5 | O=C(O)/C=C/C(=O)Nc1ccc(-c2ccc(NC(=O)/C=C/C(=O)O)cc2)cc1 | 10.1016/j.bmc.2008.04.035 | ||
| CHEMBL482497 | 184086 | 38 | None | 489 | 2 | Human | 7.7 | pKi | = | 7.7 | Functional | ChEMBL | 380 | 7 | 4 | 4 | 2.5 | O=C(O)/C=C/C(=O)Nc1ccc(-c2ccc(NC(=O)/C=C/C(=O)O)cc2)cc1 | 10.1016/j.bmc.2008.04.035 | ||
| 2260227 | 184087 | 10 | None | 138 | 3 | Human | 8.1 | pKi | = | 8.1 | Functional | ChEMBL | 488 | 10 | 4 | 6 | 4.4 | O=C(O)/C=C/C(=O)Nc1ccc(Oc2cccc(Oc3ccc(NC(=O)/C=C/C(=O)O)cc3)c2)cc1 | 10.1016/j.bmc.2008.04.035 | ||
| CHEMBL482498 | 184087 | 10 | None | 138 | 3 | Human | 8.1 | pKi | = | 8.1 | Functional | ChEMBL | 488 | 10 | 4 | 6 | 4.4 | O=C(O)/C=C/C(=O)Nc1ccc(Oc2cccc(Oc3ccc(NC(=O)/C=C/C(=O)O)cc3)c2)cc1 | 10.1016/j.bmc.2008.04.035 | ||
| 11316 | 3283 | 0 | None | 5011 | 2 | Human | 11.3 | pEC50 | = | 11.3 | Functional | Guide to Pharmacology | 486 | 8 | 2 | 5 | 3.5 | Clc1ccc(c(c1)C(=O)O)S(=O)(=O)NCCCCn1c(=O)c2cccc3c2c(c1=O)ccc3 | 30063964 | ||
| 77461257 | 3283 | 0 | None | 5011 | 2 | Human | 11.3 | pEC50 | = | 11.3 | Functional | Guide to Pharmacology | 486 | 8 | 2 | 5 | 3.5 | Clc1ccc(c(c1)C(=O)O)S(=O)(=O)NCCCCn1c(=O)c2cccc3c2c(c1=O)ccc3 | 30063964 | ||
| CHEMBL3322514 | 3283 | 0 | None | 5011 | 2 | Human | 11.3 | pEC50 | = | 11.3 | Functional | Guide to Pharmacology | 486 | 8 | 2 | 5 | 3.5 | Clc1ccc(c(c1)C(=O)O)S(=O)(=O)NCCCCn1c(=O)c2cccc3c2c(c1=O)ccc3 | 30063964 | ||
| 6580 | 1860 | 0 | None | - | 1 | Human | 4.5 | pEC50 | = | 4.5 | Functional | Guide to Pharmacology | 375 | 6 | 0 | 4 | 4.4 | O=Cc1ccccc1SCCCn1c(=O)c2cccc3c2c(c1=O)ccc3 | 22968304 | ||
| 73755227 | 1860 | 0 | None | - | 1 | Human | 4.5 | pEC50 | = | 4.5 | Functional | Guide to Pharmacology | 375 | 6 | 0 | 4 | 4.4 | O=Cc1ccccc1SCCCn1c(=O)c2cccc3c2c(c1=O)ccc3 | 22968304 | ||
| 4030 | 1358 | 19 | None | -6 | 2 | Human | 5.4 | pEC50 | = | 5.4 | Functional | Guide to Pharmacology | 238 | 10 | 2 | 2 | 3.2 | CCCCCCCCCCOP(=O)(O)O | 12695531 | ||
| 62532 | 1358 | 19 | None | -6 | 2 | Human | 5.4 | pEC50 | = | 5.4 | Functional | Guide to Pharmacology | 238 | 10 | 2 | 2 | 3.2 | CCCCCCCCCCOP(=O)(O)O | 12695531 | ||
| CHEMBL361255 | 1358 | 19 | None | -6 | 2 | Human | 5.4 | pEC50 | = | 5.4 | Functional | Guide to Pharmacology | 238 | 10 | 2 | 2 | 3.2 | CCCCCCCCCCOP(=O)(O)O | 12695531 | ||
| 10468943 | 1457 | 5 | None | -35 | 3 | Mouse | 6.0 | pEC50 | = | 6 | Functional | Guide to Pharmacology | 282 | 12 | 2 | 2 | 4.1 | CCCCCCCCCCCCOP(=S)(O)O | 16033271 | ||
| 6990 | 1457 | 5 | None | -35 | 3 | Mouse | 6.0 | pEC50 | = | 6 | Functional | Guide to Pharmacology | 282 | 12 | 2 | 2 | 4.1 | CCCCCCCCCCCCOP(=S)(O)O | 16033271 | ||
| CHEMBL191365 | 1457 | 5 | None | -35 | 3 | Mouse | 6.0 | pEC50 | = | 6 | Functional | Guide to Pharmacology | 282 | 12 | 2 | 2 | 4.1 | CCCCCCCCCCCCOP(=S)(O)O | 16033271 | ||
| 1550836 | 1456 | 0 | None | - | 1 | Human | 6.2 | pEC50 | = | 6.2 | Functional | Guide to Pharmacology | 264 | 12 | 0 | 4 | 2.8 | CCCCCCCCCCCCOP(=O)([O-])[O-] | 12695531 | ||
| 4031 | 1456 | 0 | None | - | 1 | Human | 6.2 | pEC50 | = | 6.2 | Functional | Guide to Pharmacology | 264 | 12 | 0 | 4 | 2.8 | CCCCCCCCCCCCOP(=O)([O-])[O-] | 12695531 | ||
| 6983 | 2919 | 0 | None | -1 | 4 | Mouse | 6.6 | pEC50 | = | 6.6 | Functional | Guide to Pharmacology | 907 | 48 | 0 | 7 | 19.6 | CCCCCCCC/C=C\CCCCCCCC(=O)OP(=O)(SC(=O)CCCCCCC/C=C\CCCCCCCC)OC(=O)CCCCCCC/C=C\CCCCCCCC | 16033271 | ||
| 73755251 | 2919 | 0 | None | -1 | 4 | Mouse | 6.6 | pEC50 | = | 6.6 | Functional | Guide to Pharmacology | 907 | 48 | 0 | 7 | 19.6 | CCCCCCCC/C=C\CCCCCCCC(=O)OP(=O)(SC(=O)CCCCCCC/C=C\CCCCCCCC)OC(=O)CCCCCCC/C=C\CCCCCCCC | 16033271 | ||
| 11313 | 1200 | 0 | None | -3 | 3 | Human | 6.9 | pEC50 | = | 6.9 | Functional | Guide to Pharmacology | 261 | 5 | 1 | 3 | 3.4 | CCN([C@H](c1cccc2c1oc(c2C)C)CO)CC | 32409422 | ||
| 154733034 | 1200 | 0 | None | -3 | 3 | Human | 6.9 | pEC50 | = | 6.9 | Functional | Guide to Pharmacology | 261 | 5 | 1 | 3 | 3.4 | CCN([C@H](c1cccc2c1oc(c2C)C)CO)CC | 32409422 | ||
| 11314 | 1202 | 0 | None | -1 | 3 | Human | 7.5 | pEC50 | = | 7.5 | Functional | Guide to Pharmacology | 275 | 6 | 1 | 3 | 3.7 | CCN([C@H](c1cccc2c1oc(c2C)CC)CO)CC | 32409422 | ||
| 154733035 | 1202 | 0 | None | -1 | 3 | Human | 7.5 | pEC50 | = | 7.5 | Functional | Guide to Pharmacology | 275 | 6 | 1 | 3 | 3.7 | CCN([C@H](c1cccc2c1oc(c2C)CC)CO)CC | 32409422 | ||
| 17757220 | 2713 | 0 | None | 6 | 3 | Mouse | 7.5 | pEC50 | = | 7.5 | Functional | Guide to Pharmacology | 405 | 19 | 3 | 3 | 5.2 | CCCCCCCC/C=C/CCCCCCCC(=O)NCCOP(=O)(O)O | 18781939 | ||
| 6982 | 2713 | 0 | None | 6 | 3 | Mouse | 7.5 | pEC50 | = | 7.5 | Functional | Guide to Pharmacology | 405 | 19 | 3 | 3 | 5.2 | CCCCCCCC/C=C/CCCCCCCC(=O)NCCOP(=O)(O)O | 18781939 | ||
| CHEMBL1574292 | 2713 | 0 | None | 6 | 3 | Mouse | 7.5 | pEC50 | = | 7.5 | Functional | Guide to Pharmacology | 405 | 19 | 3 | 3 | 5.2 | CCCCCCCC/C=C/CCCCCCCC(=O)NCCOP(=O)(O)O | 18781939 | ||
| 11316 | 3283 | 0 | None | -5011 | 2 | Mouse | 7.6 | pEC50 | = | 7.6 | Functional | Guide to Pharmacology | 486 | 8 | 2 | 5 | 3.5 | Clc1ccc(c(c1)C(=O)O)S(=O)(=O)NCCCCn1c(=O)c2cccc3c2c(c1=O)ccc3 | 30063964 | ||
| 77461257 | 3283 | 0 | None | -5011 | 2 | Mouse | 7.6 | pEC50 | = | 7.6 | Functional | Guide to Pharmacology | 486 | 8 | 2 | 5 | 3.5 | Clc1ccc(c(c1)C(=O)O)S(=O)(=O)NCCCCn1c(=O)c2cccc3c2c(c1=O)ccc3 | 30063964 | ||
| CHEMBL3322514 | 3283 | 0 | None | -5011 | 2 | Mouse | 7.6 | pEC50 | = | 7.6 | Functional | Guide to Pharmacology | 486 | 8 | 2 | 5 | 3.5 | Clc1ccc(c(c1)C(=O)O)S(=O)(=O)NCCCCn1c(=O)c2cccc3c2c(c1=O)ccc3 | 30063964 | ||
| 2906 | 2355 | 18 | None | -1 | 12 | Mouse | 8.1 | pEC50 | = | 8.1 | Functional | Guide to Pharmacology | 436 | 20 | 3 | 5 | 5.0 | CCCCCCCC/C=C\CCCCCCCC(=O)OCC(COP(=O)(O)O)O | 18781939 | ||
| 2906 | 2355 | 18 | None | -1 | 12 | Mouse | 8.1 | pEC50 | = | 8.1 | Functional | Guide to Pharmacology | 436 | 20 | 3 | 5 | 5.0 | CCCCCCCC/C=C\CCCCCCCC(=O)OCC(COP(=O)(O)O)O | 9525886 | ||
| 5395 | 2355 | 18 | None | -1 | 12 | Mouse | 8.1 | pEC50 | = | 8.1 | Functional | Guide to Pharmacology | 436 | 20 | 3 | 5 | 5.0 | CCCCCCCC/C=C\CCCCCCCC(=O)OCC(COP(=O)(O)O)O | 18781939 | ||
| 5395 | 2355 | 18 | None | -1 | 12 | Mouse | 8.1 | pEC50 | = | 8.1 | Functional | Guide to Pharmacology | 436 | 20 | 3 | 5 | 5.0 | CCCCCCCC/C=C\CCCCCCCC(=O)OCC(COP(=O)(O)O)O | 9525886 | ||
| 5497152 | 2355 | 18 | None | -1 | 12 | Mouse | 8.1 | pEC50 | = | 8.1 | Functional | Guide to Pharmacology | 436 | 20 | 3 | 5 | 5.0 | CCCCCCCC/C=C\CCCCCCCC(=O)OCC(COP(=O)(O)O)O | 18781939 | ||
| 5497152 | 2355 | 18 | None | -1 | 12 | Mouse | 8.1 | pEC50 | = | 8.1 | Functional | Guide to Pharmacology | 436 | 20 | 3 | 5 | 5.0 | CCCCCCCC/C=C\CCCCCCCC(=O)OCC(COP(=O)(O)O)O | 9525886 | ||
| CHEMBL1222042 | 2355 | 18 | None | -1 | 12 | Mouse | 8.1 | pEC50 | = | 8.1 | Functional | Guide to Pharmacology | 436 | 20 | 3 | 5 | 5.0 | CCCCCCCC/C=C\CCCCCCCC(=O)OCC(COP(=O)(O)O)O | 18781939 | ||
| CHEMBL1222042 | 2355 | 18 | None | -1 | 12 | Mouse | 8.1 | pEC50 | = | 8.1 | Functional | Guide to Pharmacology | 436 | 20 | 3 | 5 | 5.0 | CCCCCCCC/C=C\CCCCCCCC(=O)OCC(COP(=O)(O)O)O | 9525886 | ||
| 2906 | 2355 | 18 | None | -1 | 12 | Human | 7.4 | pEC50 | None | 7.4 | Functional | Guide to Pharmacology | 436 | 20 | 3 | 5 | 5.0 | CCCCCCCC/C=C\CCCCCCCC(=O)OCC(COP(=O)(O)O)O | 10727522 | ||
| 2906 | 2355 | 18 | None | -1 | 12 | Human | 7.4 | pEC50 | None | 7.4 | Functional | Guide to Pharmacology | 436 | 20 | 3 | 5 | 5.0 | CCCCCCCC/C=C\CCCCCCCC(=O)OCC(COP(=O)(O)O)O | 15177455 | ||
| 5395 | 2355 | 18 | None | -1 | 12 | Human | 7.4 | pEC50 | None | 7.4 | Functional | Guide to Pharmacology | 436 | 20 | 3 | 5 | 5.0 | CCCCCCCC/C=C\CCCCCCCC(=O)OCC(COP(=O)(O)O)O | 10727522 | ||
| 5395 | 2355 | 18 | None | -1 | 12 | Human | 7.4 | pEC50 | None | 7.4 | Functional | Guide to Pharmacology | 436 | 20 | 3 | 5 | 5.0 | CCCCCCCC/C=C\CCCCCCCC(=O)OCC(COP(=O)(O)O)O | 15177455 | ||
| 5497152 | 2355 | 18 | None | -1 | 12 | Human | 7.4 | pEC50 | None | 7.4 | Functional | Guide to Pharmacology | 436 | 20 | 3 | 5 | 5.0 | CCCCCCCC/C=C\CCCCCCCC(=O)OCC(COP(=O)(O)O)O | 10727522 | ||
| 5497152 | 2355 | 18 | None | -1 | 12 | Human | 7.4 | pEC50 | None | 7.4 | Functional | Guide to Pharmacology | 436 | 20 | 3 | 5 | 5.0 | CCCCCCCC/C=C\CCCCCCCC(=O)OCC(COP(=O)(O)O)O | 15177455 | ||
| CHEMBL1222042 | 2355 | 18 | None | -1 | 12 | Human | 7.4 | pEC50 | None | 7.4 | Functional | Guide to Pharmacology | 436 | 20 | 3 | 5 | 5.0 | CCCCCCCC/C=C\CCCCCCCC(=O)OCC(COP(=O)(O)O)O | 10727522 | ||
| CHEMBL1222042 | 2355 | 18 | None | -1 | 12 | Human | 7.4 | pEC50 | None | 7.4 | Functional | Guide to Pharmacology | 436 | 20 | 3 | 5 | 5.0 | CCCCCCCC/C=C\CCCCCCCC(=O)OCC(COP(=O)(O)O)O | 15177455 | ||
| 2936 | 85 | 0 | None | 1 | 4 | Human | 8.0 | pEC50 | None | 8 | Functional | Guide to Pharmacology | 436 | 20 | 3 | 5 | 5.0 | CCCCCCCC/C=C\CCCCCCCC(=O)OC(COP(=O)(O)O)CO | 10922489 | ||
| 56947016 | 85 | 0 | None | 1 | 4 | Human | 8.0 | pEC50 | None | 8 | Functional | Guide to Pharmacology | 436 | 20 | 3 | 5 | 5.0 | CCCCCCCC/C=C\CCCCCCCC(=O)OC(COP(=O)(O)O)CO | 10922489 | ||
| 11132720 | 1622 | 0 | None | -13 | 4 | Human | 5.7 | pIC50 | = | 5.7 | Functional | Guide to Pharmacology | 382 | 11 | 3 | 4 | 4.6 | C/C(=C/COP(=O)(OP(=O)(O)O)O)/CC/C=C(\CCC=C(C)C)/C | 19366702 | ||
| 2910 | 1622 | 0 | None | -13 | 4 | Human | 5.7 | pIC50 | = | 5.7 | Functional | Guide to Pharmacology | 382 | 11 | 3 | 4 | 4.6 | C/C(=C/COP(=O)(OP(=O)(O)O)O)/CC/C=C(\CCC=C(C)C)/C | 19366702 | ||
| DB07780 | 1622 | 0 | None | -13 | 4 | Human | 5.7 | pIC50 | = | 5.7 | Functional | Guide to Pharmacology | 382 | 11 | 3 | 4 | 4.6 | C/C(=C/COP(=O)(OP(=O)(O)O)O)/CC/C=C(\CCC=C(C)C)/C | 19366702 | ||
| 12522 | 3912 | 1 | None | - | 1 | Human | 5.7 | pIC50 | = | 5.7 | Functional | Guide to Pharmacology | 432 | 6 | 3 | 7 | 4.3 | ClC1=C(OC=2C(=NNC2C)C3=C(C=C(C=C3)OCC4=NN=NN4)O)C=CC(=C1)Cl | 35948083 | ||
| 164946717 | 3912 | 1 | None | - | 1 | Human | 5.7 | pIC50 | = | 5.7 | Functional | Guide to Pharmacology | 432 | 6 | 3 | 7 | 4.3 | ClC1=C(OC=2C(=NNC2C)C3=C(C=C(C=C3)OCC4=NN=NN4)O)C=CC(=C1)Cl | 35948083 | ||
| CHEMBL5182278 | 3912 | 1 | None | - | 1 | Human | 5.7 | pIC50 | = | 5.7 | Functional | Guide to Pharmacology | 432 | 6 | 3 | 7 | 4.3 | ClC1=C(OC=2C(=NNC2C)C3=C(C=C(C=C3)OCC4=NN=NN4)O)C=CC(=C1)Cl | 35948083 | ||
| 16725999 | 731 | 1 | None | 9 | 2 | Mouse | 6.3 | pIC50 | = | 6.3 | Functional | Guide to Pharmacology | 486 | 19 | 3 | 4 | 5.7 | CCCCCCCCCCCCCCCC(=O)OC[C@H](CC(P(=O)(O)O)Br)O | 19509223 | ||
| 6985 | 731 | 1 | None | 9 | 2 | Mouse | 6.3 | pIC50 | = | 6.3 | Functional | Guide to Pharmacology | 486 | 19 | 3 | 4 | 5.7 | CCCCCCCCCCCCCCCC(=O)OC[C@H](CC(P(=O)(O)O)Br)O | 19509223 | ||
| CHEMBL3621357 | 731 | 1 | None | 9 | 2 | Mouse | 6.3 | pIC50 | = | 6.3 | Functional | Guide to Pharmacology | 486 | 19 | 3 | 4 | 5.7 | CCCCCCCCCCCCCCCC(=O)OC[C@H](CC(P(=O)(O)O)Br)O | 19509223 | ||
| 6993 | 992 | 0 | None | - | 1 | Mouse | 7.8 | pIC50 | = | 7.8 | Functional | Guide to Pharmacology | 495 | 6 | 1 | 6 | 5.4 | C[C@H](Nc1ncnc2c1scc2C)CN1CCN(CC1)S(=C)(=C)c1ccc(c(c1)Cl)Cl | 18178086 | ||
| 73755255 | 992 | 0 | None | - | 1 | Mouse | 7.8 | pIC50 | = | 7.8 | Functional | Guide to Pharmacology | 495 | 6 | 1 | 6 | 5.4 | C[C@H](Nc1ncnc2c1scc2C)CN1CCN(CC1)S(=C)(=C)c1ccc(c(c1)Cl)Cl | 18178086 | ||
| 6579 | 1906 | 0 | None | 138 | 2 | Human | 8.1 | pIC50 | = | 8.1 | Functional | Guide to Pharmacology | 456 | 10 | 2 | 6 | 4.7 | O=C/C=C\C(=O)Nc1ccc(cc1)Oc1cccc(c1)Oc1ccc(cc1)NC(=O)/C=C\C=O | 18467108 | ||
| 6579 | 1906 | 0 | None | 138 | 2 | Human | 8.1 | pIC50 | = | 8.1 | Functional | Guide to Pharmacology | 456 | 10 | 2 | 6 | 4.7 | O=C/C=C\C(=O)Nc1ccc(cc1)Oc1cccc(c1)Oc1ccc(cc1)NC(=O)/C=C\C=O | 19800804 | ||
| 73755226 | 1906 | 0 | None | 138 | 2 | Human | 8.1 | pIC50 | = | 8.1 | Functional | Guide to Pharmacology | 456 | 10 | 2 | 6 | 4.7 | O=C/C=C\C(=O)Nc1ccc(cc1)Oc1cccc(c1)Oc1ccc(cc1)NC(=O)/C=C\C=O | 18467108 | ||
| 73755226 | 1906 | 0 | None | 138 | 2 | Human | 8.1 | pIC50 | = | 8.1 | Functional | Guide to Pharmacology | 456 | 10 | 2 | 6 | 4.7 | O=C/C=C\C(=O)Nc1ccc(cc1)Oc1cccc(c1)Oc1ccc(cc1)NC(=O)/C=C\C=O | 19800804 | ||
| 2905 | 389 | 49 | None | -1258 | 7 | Mouse | 4.6 | pIC50 | None | 4.6 | Functional | Guide to Pharmacology | 490 | 7 | 2 | 5 | 6.9 | OC(=O)Cc1ccc(cc1)c1ccc(cc1)c1onc(c1NC(=O)O[C@@H](c1ccccc1Cl)C)C | 20649573 | ||
| 46240292 | 389 | 49 | None | -1258 | 7 | Mouse | 4.6 | pIC50 | None | 4.6 | Functional | Guide to Pharmacology | 490 | 7 | 2 | 5 | 6.9 | OC(=O)Cc1ccc(cc1)c1ccc(cc1)c1onc(c1NC(=O)O[C@@H](c1ccccc1Cl)C)C | 20649573 | ||
| CHEMBL3621966 | 389 | 49 | None | -1258 | 7 | Mouse | 4.6 | pIC50 | None | 4.6 | Functional | Guide to Pharmacology | 490 | 7 | 2 | 5 | 6.9 | OC(=O)Cc1ccc(cc1)c1ccc(cc1)c1onc(c1NC(=O)O[C@@H](c1ccccc1Cl)C)C | 20649573 | ||
| 2905 | 389 | 49 | None | -81 | 7 | Human | 5.8 | pIC50 | None | 5.8 | Functional | Guide to Pharmacology | 490 | 7 | 2 | 5 | 6.9 | OC(=O)Cc1ccc(cc1)c1ccc(cc1)c1onc(c1NC(=O)O[C@@H](c1ccccc1Cl)C)C | 20649573 | ||
| 46240292 | 389 | 49 | None | -81 | 7 | Human | 5.8 | pIC50 | None | 5.8 | Functional | Guide to Pharmacology | 490 | 7 | 2 | 5 | 6.9 | OC(=O)Cc1ccc(cc1)c1ccc(cc1)c1onc(c1NC(=O)O[C@@H](c1ccccc1Cl)C)C | 20649573 | ||
| CHEMBL3621966 | 389 | 49 | None | -81 | 7 | Human | 5.8 | pIC50 | None | 5.8 | Functional | Guide to Pharmacology | 490 | 7 | 2 | 5 | 6.9 | OC(=O)Cc1ccc(cc1)c1ccc(cc1)c1onc(c1NC(=O)O[C@@H](c1ccccc1Cl)C)C | 20649573 | ||
| 2911 | 1623 | 0 | None | -3 | 4 | Human | 6.8 | pIC50 | None | 6.8 | Functional | Guide to Pharmacology | 302 | 9 | 2 | 2 | 4.5 | C/C(=C/CC/C(=C\COP(=O)(O)O)/C)/CCC=C(C)C | 19366702 | ||
| 6440220 | 1623 | 0 | None | -3 | 4 | Human | 6.8 | pIC50 | None | 6.8 | Functional | Guide to Pharmacology | 302 | 9 | 2 | 2 | 4.5 | C/C(=C/CC/C(=C\COP(=O)(O)O)/C)/CCC=C(C)C | 19366702 | ||
| Ligands (move mouse cursor over ligand name to see structure) | Receptor | Assay information | Chemical information | |||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Sel. page | Similar- ity |
Common name |
GPCRdb ID |
#Vendors |
Reference ligand |
Fold selectivity |
# Tested GPCRs |
Species |
p-value (-log) |
Activity Type |
Activity Relation |
Activity Value |
Assay Type |
Assay Description |
Source |
Mol weight |
Rot Bonds |
H don |
H acc |
LogP |
Smiles |
DOI |
| 11648176 | 87526 | 0 | None | - | 0 | Human | 7.0 | pEC50 | = | 7 | Binding | ChEMBL | 454 | 23 | 2 | 4 | 6.5 | CCCCCCCCCCCCCCCCCCOCC(COP(O)(O)=S)OC | 10.1016/j.bmcl.2013.01.002 | |||
| CHEMBL2335052 | 87526 | 0 | None | - | 0 | Human | 7.0 | pEC50 | = | 7 | Binding | ChEMBL | 454 | 23 | 2 | 4 | 6.5 | CCCCCCCCCCCCCCCCCCOCC(COP(O)(O)=S)OC | 10.1016/j.bmcl.2013.01.002 | |||
| 122191542 | 123699 | 0 | None | - | 0 | Human | 7.0 | pEC50 | = | 7.0 | Binding | ChEMBL | 421 | 19 | 3 | 3 | 5.4 | CCCCCCCC/C=C\CCCCCCCC(=O)NCCOP(O)(O)=S | 10.1039/C4MD00333K | |||
| CHEMBL3621959 | 123699 | 0 | None | - | 0 | Human | 7.0 | pEC50 | = | 7.0 | Binding | ChEMBL | 421 | 19 | 3 | 3 | 5.4 | CCCCCCCC/C=C\CCCCCCCC(=O)NCCOP(O)(O)=S | 10.1039/C4MD00333K | |||
| 71720690 | 87524 | 0 | None | - | 0 | Human | 7.0 | pEC50 | = | 7.0 | Binding | ChEMBL | 454 | 23 | 2 | 4 | 6.5 | CCCCCCCCCCCCCCCCCCOC[C@@H](COP(O)(O)=S)OC | 10.1016/j.bmcl.2013.01.002 | |||
| CHEMBL2335047 | 87524 | 0 | None | - | 0 | Human | 7.0 | pEC50 | = | 7.0 | Binding | ChEMBL | 454 | 23 | 2 | 4 | 6.5 | CCCCCCCCCCCCCCCCCCOC[C@@H](COP(O)(O)=S)OC | 10.1016/j.bmcl.2013.01.002 | |||
| 16044834 | 14697 | 0 | None | - | 0 | Human | 6.0 | pEC50 | = | 6.0 | Binding | ChEMBL | 436 | 18 | 2 | 4 | 6.0 | CCCCCCC/C=C/CCCCCCCC[C@@H]1OC[C@H](COP(O)(O)=S)O1 | 10.1016/j.bmcl.2005.08.096 | |||
| CHEMBL1206092 | 14697 | 0 | None | - | 0 | Human | 6.0 | pEC50 | = | 6.0 | Binding | ChEMBL | 436 | 18 | 2 | 4 | 6.0 | CCCCCCC/C=C/CCCCCCCC[C@@H]1OC[C@H](COP(O)(O)=S)O1 | 10.1016/j.bmcl.2005.08.096 | |||
| CHEMBL199400 | 14697 | 0 | None | - | 0 | Human | 6.0 | pEC50 | = | 6.0 | Binding | ChEMBL | 436 | 18 | 2 | 4 | 6.0 | CCCCCCC/C=C/CCCCCCCC[C@@H]1OC[C@H](COP(O)(O)=S)O1 | 10.1016/j.bmcl.2005.08.096 | |||
| 71720690 | 87524 | 0 | None | - | 0 | Human | 7.0 | pEC50 | = | 7.0 | Binding | ChEMBL | 454 | 23 | 2 | 4 | 6.5 | CCCCCCCCCCCCCCCCCCOC[C@@H](COP(O)(O)=S)OC | 10.1016/j.bmcl.2013.01.002 | |||
| CHEMBL2335047 | 87524 | 0 | None | - | 0 | Human | 7.0 | pEC50 | = | 7.0 | Binding | ChEMBL | 454 | 23 | 2 | 4 | 6.5 | CCCCCCCCCCCCCCCCCCOC[C@@H](COP(O)(O)=S)OC | 10.1016/j.bmcl.2013.01.002 | |||
| 10322404 | 121081 | 0 | None | - | 0 | Human | 7.0 | pEC50 | = | 7.0 | Binding | ChEMBL | 468 | 22 | 2 | 5 | 6.0 | CCCCCCCCCCCCCCCCCC(=O)OC[C@@H](COP(O)(O)=S)OC | 10.1016/j.bmcl.2013.01.002 | |||
| CHEMBL357053 | 121081 | 0 | None | - | 0 | Human | 7.0 | pEC50 | = | 7.0 | Binding | ChEMBL | 468 | 22 | 2 | 5 | 6.0 | CCCCCCCCCCCCCCCCCC(=O)OC[C@@H](COP(O)(O)=S)OC | 10.1016/j.bmcl.2013.01.002 | |||
| 10322404 | 121081 | 0 | None | - | 0 | Human | 7.0 | pEC50 | = | 7.0 | Binding | ChEMBL | 468 | 22 | 2 | 5 | 6.0 | CCCCCCCCCCCCCCCCCC(=O)OC[C@@H](COP(O)(O)=S)OC | 10.1016/j.bmcl.2013.01.002 | |||
| CHEMBL357053 | 121081 | 0 | None | - | 0 | Human | 7.0 | pEC50 | = | 7.0 | Binding | ChEMBL | 468 | 22 | 2 | 5 | 6.0 | CCCCCCCCCCCCCCCCCC(=O)OC[C@@H](COP(O)(O)=S)OC | 10.1016/j.bmcl.2013.01.002 | |||
| 71569054 | 89068 | 0 | None | - | 0 | Human | 6.9 | pEC50 | = | 6.9 | Binding | ChEMBL | 426 | 21 | 2 | 4 | 5.7 | CCCCCCCCCCCCCCCCOC(COC)COP(O)(O)=S | 10.1016/j.bmcl.2013.01.002 | |||
| CHEMBL2335049 | 89068 | 0 | None | - | 0 | Human | 6.9 | pEC50 | = | 6.9 | Binding | ChEMBL | 426 | 21 | 2 | 4 | 5.7 | CCCCCCCCCCCCCCCCOC(COC)COP(O)(O)=S | 10.1016/j.bmcl.2013.01.002 | |||
| CHEMBL2365070 | 89068 | 0 | None | - | 0 | Human | 6.9 | pEC50 | = | 6.9 | Binding | ChEMBL | 426 | 21 | 2 | 4 | 5.7 | CCCCCCCCCCCCCCCCOC(COC)COP(O)(O)=S | 10.1016/j.bmcl.2013.01.002 | |||
| 71569054 | 89068 | 0 | None | - | 0 | Human | 6.9 | pEC50 | = | 6.9 | Binding | ChEMBL | 426 | 21 | 2 | 4 | 5.7 | CCCCCCCCCCCCCCCCOC(COC)COP(O)(O)=S | 10.1016/j.bmcl.2013.01.002 | |||
| CHEMBL2335049 | 89068 | 0 | None | - | 0 | Human | 6.9 | pEC50 | = | 6.9 | Binding | ChEMBL | 426 | 21 | 2 | 4 | 5.7 | CCCCCCCCCCCCCCCCOC(COC)COP(O)(O)=S | 10.1016/j.bmcl.2013.01.002 | |||
| CHEMBL2365070 | 89068 | 0 | None | - | 0 | Human | 6.9 | pEC50 | = | 6.9 | Binding | ChEMBL | 426 | 21 | 2 | 4 | 5.7 | CCCCCCCCCCCCCCCCOC(COC)COP(O)(O)=S | 10.1016/j.bmcl.2013.01.002 | |||
| 71599962 | 89069 | 0 | None | - | 0 | Human | 6.9 | pEC50 | = | 6.9 | Binding | ChEMBL | 440 | 22 | 2 | 4 | 6.1 | CCCCCCCCCCCCCCCCCOC(COC)COP(O)(O)=S | 10.1016/j.bmcl.2013.01.002 | |||
| CHEMBL2335050 | 89069 | 0 | None | - | 0 | Human | 6.9 | pEC50 | = | 6.9 | Binding | ChEMBL | 440 | 22 | 2 | 4 | 6.1 | CCCCCCCCCCCCCCCCCOC(COC)COP(O)(O)=S | 10.1016/j.bmcl.2013.01.002 | |||
| CHEMBL2365071 | 89069 | 0 | None | - | 0 | Human | 6.9 | pEC50 | = | 6.9 | Binding | ChEMBL | 440 | 22 | 2 | 4 | 6.1 | CCCCCCCCCCCCCCCCCOC(COC)COP(O)(O)=S | 10.1016/j.bmcl.2013.01.002 | |||
| 71599962 | 89069 | 0 | None | - | 0 | Human | 6.9 | pEC50 | = | 6.9 | Binding | ChEMBL | 440 | 22 | 2 | 4 | 6.1 | CCCCCCCCCCCCCCCCCOC(COC)COP(O)(O)=S | 10.1016/j.bmcl.2013.01.002 | |||
| CHEMBL2335050 | 89069 | 0 | None | - | 0 | Human | 6.9 | pEC50 | = | 6.9 | Binding | ChEMBL | 440 | 22 | 2 | 4 | 6.1 | CCCCCCCCCCCCCCCCCOC(COC)COP(O)(O)=S | 10.1016/j.bmcl.2013.01.002 | |||
| CHEMBL2365071 | 89069 | 0 | None | - | 0 | Human | 6.9 | pEC50 | = | 6.9 | Binding | ChEMBL | 440 | 22 | 2 | 4 | 6.1 | CCCCCCCCCCCCCCCCCOC(COC)COP(O)(O)=S | 10.1016/j.bmcl.2013.01.002 | |||
| 16044826 | 14698 | 0 | None | - | 0 | Human | 5.9 | pEC50 | = | 5.9 | Binding | ChEMBL | 436 | 18 | 2 | 4 | 6.0 | CCCCCCC/C=C/CCCCCCCCC1OCC(COP(O)(O)=S)O1 | 10.1016/j.bmcl.2005.08.096 | |||
| CHEMBL1206093 | 14698 | 0 | None | - | 0 | Human | 5.9 | pEC50 | = | 5.9 | Binding | ChEMBL | 436 | 18 | 2 | 4 | 6.0 | CCCCCCC/C=C/CCCCCCCCC1OCC(COP(O)(O)=S)O1 | 10.1016/j.bmcl.2005.08.096 | |||
| CHEMBL199472 | 14698 | 0 | None | - | 0 | Human | 5.9 | pEC50 | = | 5.9 | Binding | ChEMBL | 436 | 18 | 2 | 4 | 6.0 | CCCCCCC/C=C/CCCCCCCCC1OCC(COP(O)(O)=S)O1 | 10.1016/j.bmcl.2005.08.096 | |||
| 16044838 | 14816 | 0 | None | - | 0 | Human | 5.9 | pEC50 | = | 5.9 | Binding | ChEMBL | 420 | 18 | 2 | 4 | 5.9 | CCCCCCC/C=C/CCCCCCCC[C@H]1OC[C@H](COP(=O)(O)O)O1 | 10.1016/j.bmcl.2005.08.096 | |||
| CHEMBL1207240 | 14816 | 0 | None | - | 0 | Human | 5.9 | pEC50 | = | 5.9 | Binding | ChEMBL | 420 | 18 | 2 | 4 | 5.9 | CCCCCCC/C=C/CCCCCCCC[C@H]1OC[C@H](COP(=O)(O)O)O1 | 10.1016/j.bmcl.2005.08.096 | |||
| CHEMBL371955 | 14816 | 0 | None | - | 0 | Human | 5.9 | pEC50 | = | 5.9 | Binding | ChEMBL | 420 | 18 | 2 | 4 | 5.9 | CCCCCCC/C=C/CCCCCCCC[C@H]1OC[C@H](COP(=O)(O)O)O1 | 10.1016/j.bmcl.2005.08.096 | |||
| 44406645 | 14875 | 0 | None | - | 0 | Human | 5.9 | pEC50 | = | 5.9 | Binding | ChEMBL | 436 | 18 | 2 | 4 | 6.0 | CCCCCCC/C=C/CCCCCCCC[C@H]1OC[C@H](COP(O)(O)=S)O1 | 10.1016/j.bmcl.2005.08.096 | |||
| CHEMBL1207670 | 14875 | 0 | None | - | 0 | Human | 5.9 | pEC50 | = | 5.9 | Binding | ChEMBL | 436 | 18 | 2 | 4 | 6.0 | CCCCCCC/C=C/CCCCCCCC[C@H]1OC[C@H](COP(O)(O)=S)O1 | 10.1016/j.bmcl.2005.08.096 | |||
| CHEMBL427014 | 14875 | 0 | None | - | 0 | Human | 5.9 | pEC50 | = | 5.9 | Binding | ChEMBL | 436 | 18 | 2 | 4 | 6.0 | CCCCCCC/C=C/CCCCCCCC[C@H]1OC[C@H](COP(O)(O)=S)O1 | 10.1016/j.bmcl.2005.08.096 | |||
| 16044832 | 14874 | 0 | None | - | 0 | Human | 5.9 | pEC50 | = | 5.9 | Binding | ChEMBL | 436 | 18 | 2 | 4 | 6.0 | CCCCCCC/C=C/CCCCCCCC[C@H]1OC[C@@H](COP(O)(O)=S)O1 | 10.1016/j.bmcl.2005.08.096 | |||
| CHEMBL1207662 | 14874 | 0 | None | - | 0 | Human | 5.9 | pEC50 | = | 5.9 | Binding | ChEMBL | 436 | 18 | 2 | 4 | 6.0 | CCCCCCC/C=C/CCCCCCCC[C@H]1OC[C@@H](COP(O)(O)=S)O1 | 10.1016/j.bmcl.2005.08.096 | |||
| CHEMBL425218 | 14874 | 0 | None | - | 0 | Human | 5.9 | pEC50 | = | 5.9 | Binding | ChEMBL | 436 | 18 | 2 | 4 | 6.0 | CCCCCCC/C=C/CCCCCCCC[C@H]1OC[C@@H](COP(O)(O)=S)O1 | 10.1016/j.bmcl.2005.08.096 | |||
| 11496444 | 89059 | 0 | None | - | 0 | Human | 6.8 | pEC50 | = | 6.8 | Binding | ChEMBL | 468 | 22 | 2 | 5 | 6.0 | CCCCCCCCCCCCCCCCCC(=O)OC(COC)COP(O)(O)=S | 10.1016/j.bmcl.2013.01.002 | |||
| CHEMBL2335051 | 89059 | 0 | None | - | 0 | Human | 6.8 | pEC50 | = | 6.8 | Binding | ChEMBL | 468 | 22 | 2 | 5 | 6.0 | CCCCCCCCCCCCCCCCCC(=O)OC(COC)COP(O)(O)=S | 10.1016/j.bmcl.2013.01.002 | |||
| CHEMBL2364959 | 89059 | 0 | None | - | 0 | Human | 6.8 | pEC50 | = | 6.8 | Binding | ChEMBL | 468 | 22 | 2 | 5 | 6.0 | CCCCCCCCCCCCCCCCCC(=O)OC(COC)COP(O)(O)=S | 10.1016/j.bmcl.2013.01.002 | |||
| 44368508 | 45731 | 0 | None | - | 0 | Human | 6.8 | pEC50 | = | 6.8 | Binding | ChEMBL | 468 | 22 | 2 | 5 | 6.0 | CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(O)=S)OC | 10.1016/j.bmcl.2013.01.002 | |||
| CHEMBL153043 | 45731 | 0 | None | - | 0 | Human | 6.8 | pEC50 | = | 6.8 | Binding | ChEMBL | 468 | 22 | 2 | 5 | 6.0 | CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(O)=S)OC | 10.1016/j.bmcl.2013.01.002 | |||
| 11496444 | 89059 | 0 | None | - | 0 | Human | 6.8 | pEC50 | = | 6.8 | Binding | ChEMBL | 468 | 22 | 2 | 5 | 6.0 | CCCCCCCCCCCCCCCCCC(=O)OC(COC)COP(O)(O)=S | 10.1016/j.bmcl.2013.01.002 | |||
| CHEMBL2335051 | 89059 | 0 | None | - | 0 | Human | 6.8 | pEC50 | = | 6.8 | Binding | ChEMBL | 468 | 22 | 2 | 5 | 6.0 | CCCCCCCCCCCCCCCCCC(=O)OC(COC)COP(O)(O)=S | 10.1016/j.bmcl.2013.01.002 | |||
| CHEMBL2364959 | 89059 | 0 | None | - | 0 | Human | 6.8 | pEC50 | = | 6.8 | Binding | ChEMBL | 468 | 22 | 2 | 5 | 6.0 | CCCCCCCCCCCCCCCCCC(=O)OC(COC)COP(O)(O)=S | 10.1016/j.bmcl.2013.01.002 | |||
| 44368508 | 45731 | 0 | None | - | 0 | Human | 6.8 | pEC50 | = | 6.8 | Binding | ChEMBL | 468 | 22 | 2 | 5 | 6.0 | CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(O)=S)OC | 10.1016/j.bmcl.2013.01.002 | |||
| CHEMBL153043 | 45731 | 0 | None | - | 0 | Human | 6.8 | pEC50 | = | 6.8 | Binding | ChEMBL | 468 | 22 | 2 | 5 | 6.0 | CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(O)=S)OC | 10.1016/j.bmcl.2013.01.002 | |||
| 16044830 | 14699 | 0 | None | - | 0 | Human | 5.8 | pEC50 | = | 5.8 | Binding | ChEMBL | 436 | 18 | 2 | 4 | 6.0 | CCCCCCC/C=C/CCCCCCCC[C@@H]1OC[C@@H](COP(O)(O)=S)O1 | 10.1016/j.bmcl.2005.08.096 | |||
| CHEMBL1206094 | 14699 | 0 | None | - | 0 | Human | 5.8 | pEC50 | = | 5.8 | Binding | ChEMBL | 436 | 18 | 2 | 4 | 6.0 | CCCCCCC/C=C/CCCCCCCC[C@@H]1OC[C@@H](COP(O)(O)=S)O1 | 10.1016/j.bmcl.2005.08.096 | |||
| CHEMBL200003 | 14699 | 0 | None | - | 0 | Human | 5.8 | pEC50 | = | 5.8 | Binding | ChEMBL | 436 | 18 | 2 | 4 | 6.0 | CCCCCCC/C=C/CCCCCCCC[C@@H]1OC[C@@H](COP(O)(O)=S)O1 | 10.1016/j.bmcl.2005.08.096 | |||
| 46223906 | 73521 | 0 | None | - | 0 | Human | 6.8 | pEC50 | = | 6.8 | Binding | ChEMBL | 468 | 22 | 2 | 5 | 6.9 | CCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)S)OC | 10.1016/j.bmcl.2013.01.002 | |||
| CHEMBL2017139 | 73521 | 0 | None | - | 0 | Human | 6.8 | pEC50 | = | 6.8 | Binding | ChEMBL | 468 | 22 | 2 | 5 | 6.9 | CCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)S)OC | 10.1016/j.bmcl.2013.01.002 | |||
| 46223906 | 73521 | 0 | None | - | 0 | Human | 6.8 | pEC50 | = | 6.8 | Binding | ChEMBL | 468 | 22 | 2 | 5 | 6.9 | CCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)S)OC | 10.1016/j.bmcl.2013.01.002 | |||
| CHEMBL2017139 | 73521 | 0 | None | - | 0 | Human | 6.8 | pEC50 | = | 6.8 | Binding | ChEMBL | 468 | 22 | 2 | 5 | 6.9 | CCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)S)OC | 10.1016/j.bmcl.2013.01.002 | |||
| 44406650 | 14821 | 0 | None | - | 0 | Human | 5.8 | pEC50 | = | 5.8 | Binding | ChEMBL | 416 | 16 | 2 | 4 | 5.4 | C/C=C/C/C=C/C/C=C/CCCCCCCCC1OCC(COP(=O)(O)O)O1 | 10.1016/j.bmcl.2005.08.096 | |||
| CHEMBL1207268 | 14821 | 0 | None | - | 0 | Human | 5.8 | pEC50 | = | 5.8 | Binding | ChEMBL | 416 | 16 | 2 | 4 | 5.4 | C/C=C/C/C=C/C/C=C/CCCCCCCCC1OCC(COP(=O)(O)O)O1 | 10.1016/j.bmcl.2005.08.096 | |||
| CHEMBL383362 | 14821 | 0 | None | - | 0 | Human | 5.8 | pEC50 | = | 5.8 | Binding | ChEMBL | 416 | 16 | 2 | 4 | 5.4 | C/C=C/C/C=C/C/C=C/CCCCCCCCC1OCC(COP(=O)(O)O)O1 | 10.1016/j.bmcl.2005.08.096 | |||
| 16044836 | 14882 | 0 | None | - | 1 | Human | 5.8 | pEC50 | = | 5.8 | Binding | ChEMBL | 420 | 18 | 2 | 4 | 5.9 | CCCCCCC/C=C/CCCCCCCC[C@@H]1OC[C@H](COP(=O)(O)O)O1 | 10.1016/j.bmcl.2005.08.096 | |||
| CHEMBL1207755 | 14882 | 0 | None | - | 1 | Human | 5.8 | pEC50 | = | 5.8 | Binding | ChEMBL | 420 | 18 | 2 | 4 | 5.9 | CCCCCCC/C=C/CCCCCCCC[C@@H]1OC[C@H](COP(=O)(O)O)O1 | 10.1016/j.bmcl.2005.08.096 | |||
| CHEMBL436763 | 14882 | 0 | None | - | 1 | Human | 5.8 | pEC50 | = | 5.8 | Binding | ChEMBL | 420 | 18 | 2 | 4 | 5.9 | CCCCCCC/C=C/CCCCCCCC[C@@H]1OC[C@H](COP(=O)(O)O)O1 | 10.1016/j.bmcl.2005.08.096 | |||
| 5311263 | 4157 | 22 | None | - | 1 | Human | 7.5 | pEC50 | = | 7.5 | Binding | ChEMBL | 436 | 20 | 3 | 5 | 5.0 | CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@@H](O)COP(=O)(O)O | 10.1016/j.bmcl.2013.01.002 | |||
| CHEMBL117021 | 4157 | 22 | None | - | 1 | Human | 7.5 | pEC50 | = | 7.5 | Binding | ChEMBL | 436 | 20 | 3 | 5 | 5.0 | CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@@H](O)COP(=O)(O)O | 10.1016/j.bmcl.2013.01.002 | |||
| 6419701 | 125803 | 17 | None | - | 0 | Human | 6.5 | pEC50 | = | 6.5 | Binding | ChEMBL | 410 | 19 | 3 | 5 | 4.5 | CCCCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)(O)O | 10.1016/j.bmcl.2013.01.002 | |||
| CHEMBL364797 | 125803 | 17 | None | - | 0 | Human | 6.5 | pEC50 | = | 6.5 | Binding | ChEMBL | 410 | 19 | 3 | 5 | 4.5 | CCCCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)(O)O | 10.1016/j.bmcl.2013.01.002 | |||
| 5311263 | 4157 | 22 | None | - | 1 | Human | 7.5 | pEC50 | = | 7.5 | Binding | ChEMBL | 436 | 20 | 3 | 5 | 5.0 | CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@@H](O)COP(=O)(O)O | 10.1016/j.bmcl.2013.01.002 | |||
| CHEMBL117021 | 4157 | 22 | None | - | 1 | Human | 7.5 | pEC50 | = | 7.5 | Binding | ChEMBL | 436 | 20 | 3 | 5 | 5.0 | CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@@H](O)COP(=O)(O)O | 10.1016/j.bmcl.2013.01.002 | |||
| 6419701 | 125803 | 17 | None | - | 0 | Human | 6.5 | pEC50 | = | 6.5 | Binding | ChEMBL | 410 | 19 | 3 | 5 | 4.5 | CCCCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)(O)O | 10.1016/j.bmcl.2013.01.002 | |||
| CHEMBL364797 | 125803 | 17 | None | - | 0 | Human | 6.5 | pEC50 | = | 6.5 | Binding | ChEMBL | 410 | 19 | 3 | 5 | 4.5 | CCCCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)(O)O | 10.1016/j.bmcl.2013.01.002 | |||
| 71719457 | 87525 | 0 | None | - | 0 | Human | 6.5 | pEC50 | = | 6.5 | Binding | ChEMBL | 454 | 23 | 2 | 4 | 6.5 | CCCCCCCCCCCCCCCCCCOC[C@H](COP(O)(O)=S)OC | 10.1016/j.bmcl.2013.01.002 | |||
| CHEMBL2335048 | 87525 | 0 | None | - | 0 | Human | 6.5 | pEC50 | = | 6.5 | Binding | ChEMBL | 454 | 23 | 2 | 4 | 6.5 | CCCCCCCCCCCCCCCCCCOC[C@H](COP(O)(O)=S)OC | 10.1016/j.bmcl.2013.01.002 | |||
| 71719457 | 87525 | 0 | None | - | 0 | Human | 6.5 | pEC50 | = | 6.5 | Binding | ChEMBL | 454 | 23 | 2 | 4 | 6.5 | CCCCCCCCCCCCCCCCCCOC[C@H](COP(O)(O)=S)OC | 10.1016/j.bmcl.2013.01.002 | |||
| CHEMBL2335048 | 87525 | 0 | None | - | 0 | Human | 6.5 | pEC50 | = | 6.5 | Binding | ChEMBL | 454 | 23 | 2 | 4 | 6.5 | CCCCCCCCCCCCCCCCCCOC[C@H](COP(O)(O)=S)OC | 10.1016/j.bmcl.2013.01.002 | |||
| 11625765 | 73385 | 0 | None | - | 0 | Human | 5.2 | pEC50 | = | 5.2 | Binding | ChEMBL | 412 | 20 | 2 | 4 | 5.3 | CCCCCCCCOC[C@H](COP(O)(O)=S)OCCCCCCCC | 10.1016/j.bmcl.2005.10.031 | |||
| CHEMBL201482 | 73385 | 0 | None | - | 0 | Human | 5.2 | pEC50 | = | 5.2 | Binding | ChEMBL | 412 | 20 | 2 | 4 | 5.3 | CCCCCCCCOC[C@H](COP(O)(O)=S)OCCCCCCCC | 10.1016/j.bmcl.2005.10.031 | |||
| 11568387 | 74238 | 0 | None | - | 2 | Human | 5.2 | pEC50 | = | 5.2 | Binding | ChEMBL | 440 | 18 | 2 | 6 | 4.4 | CCCCCCCC(=O)OC[C@H](COP(O)(O)=S)OC(=O)CCCCCCC | 10.1016/j.bmcl.2005.10.031 | |||
| CHEMBL202361 | 74238 | 0 | None | - | 2 | Human | 5.2 | pEC50 | = | 5.2 | Binding | ChEMBL | 440 | 18 | 2 | 6 | 4.4 | CCCCCCCC(=O)OC[C@H](COP(O)(O)=S)OC(=O)CCCCCCC | 10.1016/j.bmcl.2005.10.031 | |||
| 16045222 | 74096 | 0 | None | - | 0 | Human | 5.1 | pEC50 | = | 5.1 | Binding | ChEMBL | 440 | 18 | 2 | 6 | 4.4 | CCCCCCCC(=O)OC[C@@H](COP(O)(O)=S)OC(=O)CCCCCCC | 10.1016/j.bmcl.2005.10.031 | |||
| CHEMBL202242 | 74096 | 0 | None | - | 0 | Human | 5.1 | pEC50 | = | 5.1 | Binding | ChEMBL | 440 | 18 | 2 | 6 | 4.4 | CCCCCCCC(=O)OC[C@@H](COP(O)(O)=S)OC(=O)CCCCCCC | 10.1016/j.bmcl.2005.10.031 | |||
| CHEMBL5266099 | 193468 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 345 | 3 | 2 | 2 | 4.3 | O=C(Nc1nc2cc(C(F)(F)F)ccc2[nH]1)C1CC1c1ccccc1 | 10.1016/j.ejmech.2021.113574 | |||
| CHEMBL5278054 | 193964 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 311 | 3 | 2 | 2 | 4.0 | O=C(Nc1nc2ccccc2[nH]1)C1CC1c1ccccc1Cl | 10.1016/j.ejmech.2021.113574 | |||
| CHEMBL5283300 | 194198 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 291 | 3 | 2 | 2 | 3.6 | Cc1cccc(C2CC2C(=O)Nc2nc3ccccc3[nH]2)c1 | 10.1016/j.ejmech.2021.113574 | |||
| CHEMBL5290275 | 194495 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 311 | 3 | 2 | 2 | 4.0 | O=C(Nc1nc2cc(Cl)ccc2[nH]1)C1CC1c1ccccc1 | 10.1016/j.ejmech.2021.113574 | |||
| 10287365 | 10573 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 389 | 12 | 3 | 2 | 5.1 | CCCCCCc1ccc(-c2ccc(CNCCCP(=O)(O)O)cc2)cc1 | 10.1016/j.bmcl.2004.04.070 | |||
| CHEMBL116981 | 10573 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 389 | 12 | 3 | 2 | 5.1 | CCCCCCc1ccc(-c2ccc(CNCCCP(=O)(O)O)cc2)cc1 | 10.1016/j.bmcl.2004.04.070 | |||
| 44344270 | 110116 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 395 | 13 | 3 | 5 | 3.9 | CCCCCCCc1nc(-c2ccc(CNCCCP(=O)(O)O)cc2)no1 | 10.1016/j.bmcl.2004.04.070 | |||
| CHEMBL323617 | 110116 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 395 | 13 | 3 | 5 | 3.9 | CCCCCCCc1nc(-c2ccc(CNCCCP(=O)(O)O)cc2)no1 | 10.1016/j.bmcl.2004.04.070 | |||
| 10309271 | 13358 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 373 | 14 | 4 | 4 | 3.8 | CCCCCCCCOc1ccc(CNCCCP(=O)(O)O)cc1O | 10.1016/j.bmcl.2004.04.070 | |||
| CHEMBL119239 | 13358 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 373 | 14 | 4 | 4 | 3.8 | CCCCCCCCOc1ccc(CNCCCP(=O)(O)O)cc1O | 10.1016/j.bmcl.2004.04.070 | |||
| 10309462 | 13632 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 385 | 14 | 3 | 3 | 4.7 | CCCCCCCCOc1c(C)cc(CNCCCP(=O)(O)O)cc1C | 10.1016/j.bmcl.2004.04.070 | |||
| CHEMBL119440 | 13632 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 385 | 14 | 3 | 3 | 4.7 | CCCCCCCCOc1c(C)cc(CNCCCP(=O)(O)O)cc1C | 10.1016/j.bmcl.2004.04.070 | |||
| 10311227 | 169333 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 493 | 17 | 3 | 4 | 5.6 | CCCCCCCCCCOc1c(Br)cc(CNCCCP(=O)(O)O)cc1OC | 10.1016/j.bmcl.2004.04.070 | |||
| CHEMBL441826 | 169333 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 493 | 17 | 3 | 4 | 5.6 | CCCCCCCCCCOc1c(Br)cc(CNCCCP(=O)(O)O)cc1OC | 10.1016/j.bmcl.2004.04.070 | |||
| 10287091 | 10601 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 371 | 14 | 4 | 3 | 4.1 | CCCCCCCCC(O)c1ccc(CNCCCP(=O)(O)O)cc1 | 10.1016/j.bmcl.2004.04.070 | |||
| CHEMBL117007 | 10601 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 371 | 14 | 4 | 3 | 4.1 | CCCCCCCCC(O)c1ccc(CNCCCP(=O)(O)O)cc1 | 10.1016/j.bmcl.2004.04.070 | |||
| 10289318 | 114027 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 513 | 14 | 3 | 3 | 5.6 | CCCCCCCCOc1c(Br)cc(CNCCCP(=O)(O)O)cc1Br | 10.1016/j.bmcl.2004.04.070 | |||
| CHEMBL332667 | 114027 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 513 | 14 | 3 | 3 | 5.6 | CCCCCCCCOc1c(Br)cc(CNCCCP(=O)(O)O)cc1Br | 10.1016/j.bmcl.2004.04.070 | |||
| 66774612 | 150736 | 0 | None | - | 0 | Human | 4.6 | pIC50 | = | 4.6 | Binding | ChEMBL | 477 | 12 | 1 | 5 | 4.8 | COc1cc(C(=O)N(CCCc2ccccc2)Cc2ccc(OCC(=O)O)cc2)cc(OC)c1C | 10.1021/acsmedchemlett.6b00225 | |||
| CHEMBL3956307 | 150736 | 0 | None | - | 0 | Human | 4.6 | pIC50 | = | 4.6 | Binding | ChEMBL | 477 | 12 | 1 | 5 | 4.8 | COc1cc(C(=O)N(CCCc2ccccc2)Cc2ccc(OCC(=O)O)cc2)cc(OC)c1C | 10.1021/acsmedchemlett.6b00225 | |||
| 10172513 | 10182 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 369 | 14 | 3 | 3 | 4.3 | CCCCCCCCC(=O)c1ccc(CNCCCP(=O)(O)O)cc1 | 10.1016/j.bmcl.2004.04.070 | |||
| CHEMBL115970 | 10182 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 369 | 14 | 3 | 3 | 4.3 | CCCCCCCCC(=O)c1ccc(CNCCCP(=O)(O)O)cc1 | 10.1016/j.bmcl.2004.04.070 | |||
| 10149985 | 13379 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 341 | 13 | 3 | 2 | 4.2 | CCCCCCCCc1ccc(CNCCCP(=O)(O)O)cc1 | 10.1016/j.bmcl.2004.04.070 | |||
| CHEMBL119256 | 13379 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 341 | 13 | 3 | 2 | 4.2 | CCCCCCCCc1ccc(CNCCCP(=O)(O)O)cc1 | 10.1016/j.bmcl.2004.04.070 | |||
| 9824415 | 110556 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 437 | 13 | 3 | 4 | 4.1 | CCCCCCOc1c(Br)cc(CNCCCP(=O)(O)O)cc1OC | 10.1016/j.bmcl.2004.04.070 | |||
| CHEMBL325247 | 110556 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 437 | 13 | 3 | 4 | 4.1 | CCCCCCOc1c(Br)cc(CNCCCP(=O)(O)O)cc1OC | 10.1016/j.bmcl.2004.04.070 | |||
| 44344298 | 13544 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 395 | 13 | 3 | 6 | 3.0 | CCCCCCCn1nnc(-c2ccc(CNCCCP(=O)(O)O)cc2)n1 | 10.1016/j.bmcl.2004.04.070 | |||
| CHEMBL119382 | 13544 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 395 | 13 | 3 | 6 | 3.0 | CCCCCCCn1nnc(-c2ccc(CNCCCP(=O)(O)O)cc2)n1 | 10.1016/j.bmcl.2004.04.070 | |||
| 10150372 | 112908 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 371 | 14 | 3 | 3 | 4.4 | CCCCCCCCOc1ccc(CNCCCP(=O)(O)O)cc1C | 10.1016/j.bmcl.2004.04.070 | |||
| CHEMBL331054 | 112908 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 371 | 14 | 3 | 3 | 4.4 | CCCCCCCCOc1ccc(CNCCCP(=O)(O)O)cc1C | 10.1016/j.bmcl.2004.04.070 | |||
| 10288370 | 12751 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 451 | 14 | 3 | 4 | 4.5 | CCCCCCCOc1c(Br)cc(CNCCCP(=O)(O)O)cc1OC | 10.1016/j.bmcl.2004.04.070 | |||
| CHEMBL118783 | 12751 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 451 | 14 | 3 | 4 | 4.5 | CCCCCCCOc1c(Br)cc(CNCCCP(=O)(O)O)cc1OC | 10.1016/j.bmcl.2004.04.070 | |||
| 10310253 | 13506 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 435 | 14 | 3 | 3 | 4.8 | CCCCCCCCOc1ccc(CNCCCP(=O)(O)O)cc1Br | 10.1016/j.bmcl.2004.04.070 | |||
| CHEMBL119354 | 13506 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 435 | 14 | 3 | 3 | 4.8 | CCCCCCCCOc1ccc(CNCCCP(=O)(O)O)cc1Br | 10.1016/j.bmcl.2004.04.070 | |||
| 11725751 | 12847 | 5 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 355 | 14 | 3 | 2 | 4.6 | CCCCCCCCCc1ccc(CNCCCP(=O)(O)O)cc1 | 10.1016/j.bmcl.2004.04.070 | |||
| CHEMBL118860 | 12847 | 5 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 355 | 14 | 3 | 2 | 4.6 | CCCCCCCCCc1ccc(CNCCCP(=O)(O)O)cc1 | 10.1016/j.bmcl.2004.04.070 | |||
| 10174548 | 12801 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 507 | 18 | 3 | 4 | 6.0 | CCCCCCCCCCCOc1c(Br)cc(CNCCCP(=O)(O)O)cc1OC | 10.1016/j.bmcl.2004.04.070 | |||
| CHEMBL118815 | 12801 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 507 | 18 | 3 | 4 | 6.0 | CCCCCCCCCCCOc1c(Br)cc(CNCCCP(=O)(O)O)cc1OC | 10.1016/j.bmcl.2004.04.070 | |||
| 10126736 | 110488 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 401 | 16 | 3 | 4 | 4.5 | CCCCCCCCOc1ccc(CNCCCP(=O)(O)O)cc1OCC | 10.1016/j.bmcl.2004.04.070 | |||
| CHEMBL324820 | 110488 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 401 | 16 | 3 | 4 | 4.5 | CCCCCCCCOc1ccc(CNCCCP(=O)(O)O)cc1OCC | 10.1016/j.bmcl.2004.04.070 | |||
| 10287343 | 12319 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 387 | 15 | 3 | 4 | 4.1 | CCCCCCCCOc1ccc(CNCCCP(=O)(O)O)cc1OC | 10.1016/j.bmcl.2004.04.070 | |||
| CHEMBL118508 | 12319 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 387 | 15 | 3 | 4 | 4.1 | CCCCCCCCOc1ccc(CNCCCP(=O)(O)O)cc1OC | 10.1016/j.bmcl.2004.04.070 | |||
| 10172354 | 113786 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 357 | 14 | 3 | 3 | 4.1 | CCCCCCCCOc1ccc(CNCCCP(=O)(O)O)cc1 | 10.1016/j.bmcl.2004.04.070 | |||
| CHEMBL332373 | 113786 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 357 | 14 | 3 | 3 | 4.1 | CCCCCCCCOc1ccc(CNCCCP(=O)(O)O)cc1 | 10.1016/j.bmcl.2004.04.070 | |||
| 10126584 | 13595 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 391 | 14 | 3 | 3 | 4.7 | CCCCCCCCOc1ccc(CNCCCP(=O)(O)O)cc1Cl | 10.1016/j.bmcl.2004.04.070 | |||
| CHEMBL119413 | 13595 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 391 | 14 | 3 | 3 | 4.7 | CCCCCCCCOc1ccc(CNCCCP(=O)(O)O)cc1Cl | 10.1016/j.bmcl.2004.04.070 | |||
| 10173327 | 11052 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 421 | 15 | 3 | 4 | 4.7 | CCCCCCCCOc1c(Cl)cc(CNCCCP(=O)(O)O)cc1OC | 10.1016/j.bmcl.2004.04.070 | |||
| CHEMBL117715 | 11052 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 421 | 15 | 3 | 4 | 4.7 | CCCCCCCCOc1c(Cl)cc(CNCCCP(=O)(O)O)cc1OC | 10.1016/j.bmcl.2004.04.070 | |||
| 10193915 | 14185 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 375 | 14 | 3 | 3 | 4.2 | CCCCCCCCOc1ccc(CNCCCP(=O)(O)O)cc1F | 10.1016/j.bmcl.2004.04.070 | |||
| CHEMBL119873 | 14185 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 375 | 14 | 3 | 3 | 4.2 | CCCCCCCCOc1ccc(CNCCCP(=O)(O)O)cc1F | 10.1016/j.bmcl.2004.04.070 | |||
| 10151146 | 13211 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 425 | 14 | 3 | 3 | 5.4 | CCCCCCCCOc1c(Cl)cc(CNCCCP(=O)(O)O)cc1Cl | 10.1016/j.bmcl.2004.04.070 | |||
| CHEMBL119116 | 13211 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 425 | 14 | 3 | 3 | 5.4 | CCCCCCCCOc1c(Cl)cc(CNCCCP(=O)(O)O)cc1Cl | 10.1016/j.bmcl.2004.04.070 | |||
| 10215741 | 11013 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 371 | 13 | 3 | 4 | 3.5 | CCCCCCCOC(=O)c1ccc(CNCCCP(=O)(O)O)cc1 | 10.1016/j.bmcl.2004.04.070 | |||
| CHEMBL117403 | 11013 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 371 | 13 | 3 | 4 | 3.5 | CCCCCCCOC(=O)c1ccc(CNCCCP(=O)(O)O)cc1 | 10.1016/j.bmcl.2004.04.070 | |||
| 10172546 | 114444 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 371 | 15 | 3 | 3 | 4.5 | CCCCCCCCCOc1ccc(CNCCCP(=O)(O)O)cc1 | 10.1016/j.bmcl.2004.04.070 | |||
| CHEMBL333335 | 114444 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 371 | 15 | 3 | 3 | 4.5 | CCCCCCCCCOc1ccc(CNCCCP(=O)(O)O)cc1 | 10.1016/j.bmcl.2004.04.070 | |||
| 44406631 | 14819 | 0 | None | - | 1 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 352 | 14 | 2 | 4 | 4.1 | CCCCCCCCCCCCC1OCC(COP(=O)(O)O)O1 | 10.1016/j.bmcl.2005.08.096 | |||
| CHEMBL1207263 | 14819 | 0 | None | - | 1 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 352 | 14 | 2 | 4 | 4.1 | CCCCCCCCCCCCC1OCC(COP(=O)(O)O)O1 | 10.1016/j.bmcl.2005.08.096 | |||
| CHEMBL381470 | 14819 | 0 | None | - | 1 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 352 | 14 | 2 | 4 | 4.1 | CCCCCCCCCCCCC1OCC(COP(=O)(O)O)O1 | 10.1016/j.bmcl.2005.08.096 | |||
| 66774777 | 153051 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 573 | 12 | 1 | 5 | 7.4 | COc1cc(C(=O)N(CCCc2ccccc2)Cc2ccc(Oc3ccc(Cl)cc3C(=O)O)cc2)cc(OC)c1C | 10.1021/acsmedchemlett.6b00225 | |||
| CHEMBL3975893 | 153051 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 573 | 12 | 1 | 5 | 7.4 | COc1cc(C(=O)N(CCCc2ccccc2)Cc2ccc(Oc3ccc(Cl)cc3C(=O)O)cc2)cc(OC)c1C | 10.1021/acsmedchemlett.6b00225 | |||
| 10127776 | 11053 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 465 | 15 | 3 | 4 | 4.9 | CCCCCCCCOc1c(Br)cc(CNCCCP(=O)(O)O)cc1OC | 10.1016/j.bmcl.2004.04.070 | |||
| CHEMBL117723 | 11053 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 465 | 15 | 3 | 4 | 4.9 | CCCCCCCCOc1c(Br)cc(CNCCCP(=O)(O)O)cc1OC | 10.1016/j.bmcl.2004.04.070 | |||
| 66775043 | 2935 | 34 | None | - | 1 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 461 | 11 | 1 | 4 | 4.9 | COc1cc(cc(c1C)OC)C(=O)N(Cc1ccc(cc1)CC(=O)O)CCCc1ccccc1 | 10.1021/acsmedchemlett.6b00225 | |||
| 9499 | 2935 | 34 | None | - | 1 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 461 | 11 | 1 | 4 | 4.9 | COc1cc(cc(c1C)OC)C(=O)N(Cc1ccc(cc1)CC(=O)O)CCCc1ccccc1 | 10.1021/acsmedchemlett.6b00225 | |||
| CHEMBL3941037 | 2935 | 34 | None | - | 1 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 461 | 11 | 1 | 4 | 4.9 | COc1cc(cc(c1C)OC)C(=O)N(Cc1ccc(cc1)CC(=O)O)CCCc1ccccc1 | 10.1021/acsmedchemlett.6b00225 | |||
| 10173002 | 168105 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 401 | 15 | 3 | 4 | 4.4 | CCCCCCCCOc1c(C)cc(CNCCCP(=O)(O)O)cc1OC | 10.1016/j.bmcl.2004.04.070 | |||
| CHEMBL432813 | 168105 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 401 | 15 | 3 | 4 | 4.4 | CCCCCCCCOc1c(C)cc(CNCCCP(=O)(O)O)cc1OC | 10.1016/j.bmcl.2004.04.070 | |||
| 12522 | 3912 | 1 | None | - | 1 | Human | 8.9 | pKd | = | 8.9 | Binding | ChEMBL | 432 | 6 | 3 | 7 | 4.3 | ClC1=C(OC=2C(=NNC2C)C3=C(C=C(C=C3)OCC4=NN=NN4)O)C=CC(=C1)Cl | 10.1021/acs.jmedchem.2c00046 | |||
| 164946717 | 3912 | 1 | None | - | 1 | Human | 8.9 | pKd | = | 8.9 | Binding | ChEMBL | 432 | 6 | 3 | 7 | 4.3 | ClC1=C(OC=2C(=NNC2C)C3=C(C=C(C=C3)OCC4=NN=NN4)O)C=CC(=C1)Cl | 10.1021/acs.jmedchem.2c00046 | |||
| CHEMBL5182278 | 3912 | 1 | None | - | 1 | Human | 8.9 | pKd | = | 8.9 | Binding | ChEMBL | 432 | 6 | 3 | 7 | 4.3 | ClC1=C(OC=2C(=NNC2C)C3=C(C=C(C=C3)OCC4=NN=NN4)O)C=CC(=C1)Cl | 10.1021/acs.jmedchem.2c00046 | |||
| 78401 | 67847 | 60 | None | -3 | 2 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 278 | 13 | 2 | 1 | 4.9 | CCCCCCCCCCCCCCP(=O)(O)O | 10.1021/jm049609r | |||
| CHEMBL190999 | 67847 | 60 | None | -3 | 2 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 278 | 13 | 2 | 1 | 4.9 | CCCCCCCCCCCCCCP(=O)(O)O | 10.1021/jm049609r | |||
| 44406631 | 14819 | 0 | None | - | 1 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 352 | 14 | 2 | 4 | 4.1 | CCCCCCCCCCCCC1OCC(COP(=O)(O)O)O1 | 10.1016/j.bmcl.2005.08.096 | |||
| CHEMBL1207263 | 14819 | 0 | None | - | 1 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 352 | 14 | 2 | 4 | 4.1 | CCCCCCCCCCCCC1OCC(COP(=O)(O)O)O1 | 10.1016/j.bmcl.2005.08.096 | |||
| CHEMBL381470 | 14819 | 0 | None | - | 1 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 352 | 14 | 2 | 4 | 4.1 | CCCCCCCCCCCCC1OCC(COP(=O)(O)O)O1 | 10.1016/j.bmcl.2005.08.096 | |||
| 12522 | 3912 | 1 | None | - | 1 | Human | 8.9 | pKd | = | 8.9 | Binding | Guide to Pharmacology | 432 | 6 | 3 | 7 | 4.3 | ClC1=C(OC=2C(=NNC2C)C3=C(C=C(C=C3)OCC4=NN=NN4)O)C=CC(=C1)Cl | 35948083 | |||
| 164946717 | 3912 | 1 | None | - | 1 | Human | 8.9 | pKd | = | 8.9 | Binding | Guide to Pharmacology | 432 | 6 | 3 | 7 | 4.3 | ClC1=C(OC=2C(=NNC2C)C3=C(C=C(C=C3)OCC4=NN=NN4)O)C=CC(=C1)Cl | 35948083 | |||
| CHEMBL5182278 | 3912 | 1 | None | - | 1 | Human | 8.9 | pKd | = | 8.9 | Binding | Guide to Pharmacology | 432 | 6 | 3 | 7 | 4.3 | ClC1=C(OC=2C(=NNC2C)C3=C(C=C(C=C3)OCC4=NN=NN4)O)C=CC(=C1)Cl | 35948083 | |||
| None | 216377 | 0 | 35S-GTPGammaS | -2 | 3 | Human | 7.0 | pKi | = | 7.0 | Binding | PDSP KiDatabase | 252 | 4 | 0 | 4 | 3.8 | COP(=O)(OC)SC1=CC=C(C=C1)Cl | None | |||
| None | 216376 | 0 | 35S-GTPGammaS | 2 | 3 | Human | 8.2 | pKi | = | 8.2 | Binding | PDSP KiDatabase | 436 | 20 | 3 | 5 | 5.0 | CCCCCCCCC=CCCCCCCCC(=O)OCC(COP(=O)(O)O)O | None | |||
| 16725999 | 731 | 1 | None | -1 | 5 | Mouse | 6.6 | pKi | = | 6.6 | Binding | Guide to Pharmacology | 486 | 19 | 3 | 4 | 5.7 | CCCCCCCCCCCCCCCC(=O)OC[C@H](CC(P(=O)(O)O)Br)O | 19509223 | |||
| 6985 | 731 | 1 | None | -1 | 5 | Mouse | 6.6 | pKi | = | 6.6 | Binding | Guide to Pharmacology | 486 | 19 | 3 | 4 | 5.7 | CCCCCCCCCCCCCCCC(=O)OC[C@H](CC(P(=O)(O)O)Br)O | 19509223 | |||
| CHEMBL3621357 | 731 | 1 | None | -1 | 5 | Mouse | 6.6 | pKi | = | 6.6 | Binding | Guide to Pharmacology | 486 | 19 | 3 | 4 | 5.7 | CCCCCCCCCCCCCCCC(=O)OC[C@H](CC(P(=O)(O)O)Br)O | 19509223 | |||
| 11313 | 1200 | 0 | None | -1 | 2 | Human | 7.1 | pKi | = | 7.1 | Binding | Guide to Pharmacology | 261 | 5 | 1 | 3 | 3.4 | CCN([C@H](c1cccc2c1oc(c2C)C)CO)CC | 32409422 | |||
| 154733034 | 1200 | 0 | None | -1 | 2 | Human | 7.1 | pKi | = | 7.1 | Binding | Guide to Pharmacology | 261 | 5 | 1 | 3 | 3.4 | CCN([C@H](c1cccc2c1oc(c2C)C)CO)CC | 32409422 | |||
| 11314 | 1202 | 0 | None | 2 | 2 | Human | 8.7 | pKi | = | 8.7 | Binding | Guide to Pharmacology | 275 | 6 | 1 | 3 | 3.7 | CCN([C@H](c1cccc2c1oc(c2C)CC)CO)CC | 32409422 | |||
| 154733035 | 1202 | 0 | None | 2 | 2 | Human | 8.7 | pKi | = | 8.7 | Binding | Guide to Pharmacology | 275 | 6 | 1 | 3 | 3.7 | CCN([C@H](c1cccc2c1oc(c2C)CC)CO)CC | 32409422 | |||
| 10367662 | 2186 | 91 | None | -23 | 3 | Human | 5.3 | pKi | None | 5.3 | Binding | Guide to Pharmacology | 474 | 9 | 2 | 6 | 6.3 | OC(=O)CCSCc1ccc(cc1)c1onc(c1NC(=O)OC(c1ccccc1Cl)C)C | 14500756 | |||
| 2907 | 2186 | 91 | None | -23 | 3 | Human | 5.3 | pKi | None | 5.3 | Binding | Guide to Pharmacology | 474 | 9 | 2 | 6 | 6.3 | OC(=O)CCSCc1ccc(cc1)c1onc(c1NC(=O)OC(c1ccccc1Cl)C)C | 14500756 | |||
| CHEMBL361501 | 2186 | 91 | None | -23 | 3 | Human | 5.3 | pKi | None | 5.3 | Binding | Guide to Pharmacology | 474 | 9 | 2 | 6 | 6.3 | OC(=O)CCSCc1ccc(cc1)c1onc(c1NC(=O)OC(c1ccccc1Cl)C)C | 14500756 | |||