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 |
| 1222 | 1664 | 49 | None | -23 | 25 | Human | 6.0 | pAC50 | = | 6 | Functional | ChEMBL | 475 | 7 | 1 | 3 | 5.3 | Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | 10.1038/s41467-023-40064-9 | ||
| 3396 | 1664 | 49 | None | -23 | 25 | Human | 6.0 | pAC50 | = | 6 | Functional | ChEMBL | 475 | 7 | 1 | 3 | 5.3 | Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | 10.1038/s41467-023-40064-9 | ||
| 85 | 1664 | 49 | None | -23 | 25 | Human | 6.0 | pAC50 | = | 6 | Functional | ChEMBL | 475 | 7 | 1 | 3 | 5.3 | Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL46516 | 1664 | 49 | None | -23 | 25 | Human | 6.0 | pAC50 | = | 6 | Functional | ChEMBL | 475 | 7 | 1 | 3 | 5.3 | Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | 10.1038/s41467-023-40064-9 | ||
| DB04842 | 1664 | 49 | None | -23 | 25 | Human | 6.0 | pAC50 | = | 6 | Functional | ChEMBL | 475 | 7 | 1 | 3 | 5.3 | Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | 10.1038/s41467-023-40064-9 | ||
| 2337 | 3256 | 77 | None | -8 | 29 | Human | 6.0 | pAC50 | = | 6 | Functional | ChEMBL | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | 10.1038/s41467-023-40064-9 | ||
| 50 | 3256 | 77 | None | -8 | 29 | Human | 6.0 | pAC50 | = | 6 | Functional | ChEMBL | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | 10.1038/s41467-023-40064-9 | ||
| 5002 | 3256 | 77 | None | -8 | 29 | Human | 6.0 | pAC50 | = | 6 | Functional | ChEMBL | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL716 | 3256 | 77 | None | -8 | 29 | Human | 6.0 | pAC50 | = | 6 | Functional | ChEMBL | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | 10.1038/s41467-023-40064-9 | ||
| DB01224 | 3256 | 77 | None | -8 | 29 | Human | 6.0 | pAC50 | = | 6 | Functional | ChEMBL | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | 10.1038/s41467-023-40064-9 | ||
| 5328940 | 100216 | 107 | None | -1 | 23 | Human | 6.0 | pAC50 | = | 6 | Functional | ChEMBL | 529 | 9 | 1 | 8 | 5.2 | COc1cc(Nc2c(C#N)cnc3cc(OCCCN4CCN(C)CC4)c(OC)cc23)c(Cl)cc1Cl | 10.1038/s41467-023-40064-9 | ||
| CHEMBL288441 | 100216 | 107 | None | -1 | 23 | Human | 6.0 | pAC50 | = | 6 | Functional | ChEMBL | 529 | 9 | 1 | 8 | 5.2 | COc1cc(Nc2c(C#N)cnc3cc(OCCCN4CCN(C)CC4)c(OC)cc23)c(Cl)cc1Cl | 10.1038/s41467-023-40064-9 | ||
| 42890 | 9425 | 59 | None | -1 | 13 | Human | 5.0 | pAC50 | = | 5 | Functional | ChEMBL | 497 | 3 | 5 | 10 | 1.0 | CC(=O)[C@]1(O)Cc2c(O)c3c(c(O)c2[C@@H](O[C@H]2C[C@H](N)[C@H](O)[C@H](C)O2)C1)C(=O)c1ccccc1C3=O | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1117 | 9425 | 59 | None | -1 | 13 | Human | 5.0 | pAC50 | = | 5 | Functional | ChEMBL | 497 | 3 | 5 | 10 | 1.0 | CC(=O)[C@]1(O)Cc2c(O)c3c(c(O)c2[C@@H](O[C@H]2C[C@H](N)[C@H](O)[C@H](C)O2)C1)C(=O)c1ccccc1C3=O | 10.1038/s41467-023-40064-9 | ||
| 2162 | 41514 | 100 | None | -3 | 22 | Human | 5.0 | pAC50 | = | 5 | Functional | ChEMBL | 408 | 8 | 2 | 7 | 2.3 | CCOC(=O)C1=C(COCCN)NC(C)=C(C(=O)OC)C1c1ccccc1Cl | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1491 | 41514 | 100 | None | -3 | 22 | Human | 5.0 | pAC50 | = | 5 | Functional | ChEMBL | 408 | 8 | 2 | 7 | 2.3 | CCOC(=O)C1=C(COCCN)NC(C)=C(C(=O)OC)C1c1ccccc1Cl | 10.1038/s41467-023-40064-9 | ||
| 47979 | 78210 | 59 | None | -3311 | 9 | Human | 5.0 | pAC50 | = | 5 | Functional | ChEMBL | 383 | 8 | 2 | 6 | 0.7 | C=CCN1CCCC1CNC(=O)c1cc(S(N)(=O)=O)cc(OC)c1OC | 10.1038/s41467-023-40064-9 | ||
| CHEMBL2105581 | 78210 | 59 | None | -3311 | 9 | Human | 5.0 | pAC50 | = | 5 | Functional | ChEMBL | 383 | 8 | 2 | 6 | 0.7 | C=CCN1CCCC1CNC(=O)c1cc(S(N)(=O)=O)cc(OC)c1OC | 10.1038/s41467-023-40064-9 | ||
| 2105 | 3054 | 37 | None | -251 | 25 | Human | 6.0 | pAC50 | = | 6.0 | Functional | ChEMBL | 314 | 4 | 1 | 2 | 4.3 | CCCN1C[C@H](CSC)C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3 | 10.1038/s41467-023-40064-9 | ||
| 47811 | 3054 | 37 | None | -251 | 25 | Human | 6.0 | pAC50 | = | 6.0 | Functional | ChEMBL | 314 | 4 | 1 | 2 | 4.3 | CCCN1C[C@H](CSC)C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3 | 10.1038/s41467-023-40064-9 | ||
| 48 | 3054 | 37 | None | -251 | 25 | Human | 6.0 | pAC50 | = | 6.0 | Functional | ChEMBL | 314 | 4 | 1 | 2 | 4.3 | CCCN1C[C@H](CSC)C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL531 | 3054 | 37 | None | -251 | 25 | Human | 6.0 | pAC50 | = | 6.0 | Functional | ChEMBL | 314 | 4 | 1 | 2 | 4.3 | CCCN1C[C@H](CSC)C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3 | 10.1038/s41467-023-40064-9 | ||
| DB01186 | 3054 | 37 | None | -251 | 25 | Human | 6.0 | pAC50 | = | 6.0 | Functional | ChEMBL | 314 | 4 | 1 | 2 | 4.3 | CCCN1C[C@H](CSC)C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3 | 10.1038/s41467-023-40064-9 | ||
| 4209 | 3163 | 75 | None | -891 | 17 | Human | 7.0 | pAC50 | = | 7.0 | Functional | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1038/s41467-023-40064-9 | ||
| 4893 | 3163 | 75 | None | -891 | 17 | Human | 7.0 | pAC50 | = | 7.0 | Functional | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1038/s41467-023-40064-9 | ||
| 503 | 3163 | 75 | None | -891 | 17 | Human | 7.0 | pAC50 | = | 7.0 | Functional | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1038/s41467-023-40064-9 | ||
| 5385 | 3163 | 75 | None | -891 | 17 | Human | 7.0 | pAC50 | = | 7.0 | Functional | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL2 | 3163 | 75 | None | -891 | 17 | Human | 7.0 | pAC50 | = | 7.0 | Functional | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1038/s41467-023-40064-9 | ||
| DB00457 | 3163 | 75 | None | -891 | 17 | Human | 7.0 | pAC50 | = | 7.0 | Functional | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1038/s41467-023-40064-9 | ||
| 5472 | 205818 | 75 | None | -1 | 16 | Human | 6.0 | pAC50 | = | 6.0 | Functional | ChEMBL | 263 | 2 | 0 | 2 | 4.0 | Clc1ccccc1CN1CCc2sccc2C1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1717 | 205818 | 75 | None | -1 | 16 | Human | 6.0 | pAC50 | = | 6.0 | Functional | ChEMBL | 263 | 2 | 0 | 2 | 4.0 | Clc1ccccc1CN1CCc2sccc2C1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL833 | 205818 | 75 | None | -1 | 16 | Human | 6.0 | pAC50 | = | 6.0 | Functional | ChEMBL | 263 | 2 | 0 | 2 | 4.0 | Clc1ccccc1CN1CCc2sccc2C1 | 10.1038/s41467-023-40064-9 | ||
| 1028 | 291 | 71 | None | -44 | 19 | Human | 5.0 | pAC50 | = | 5.0 | Functional | ChEMBL | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 10.1038/s41467-023-40064-9 | ||
| 139148732 | 291 | 71 | None | -44 | 19 | Human | 5.0 | pAC50 | = | 5.0 | Functional | ChEMBL | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 10.1038/s41467-023-40064-9 | ||
| 479 | 291 | 71 | None | -44 | 19 | Human | 5.0 | pAC50 | = | 5.0 | Functional | ChEMBL | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 10.1038/s41467-023-40064-9 | ||
| 5816 | 291 | 71 | None | -44 | 19 | Human | 5.0 | pAC50 | = | 5.0 | Functional | ChEMBL | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 10.1038/s41467-023-40064-9 | ||
| CHEMBL679 | 291 | 71 | None | -44 | 19 | Human | 5.0 | pAC50 | = | 5.0 | Functional | ChEMBL | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 10.1038/s41467-023-40064-9 | ||
| DB00668 | 291 | 71 | None | -44 | 19 | Human | 5.0 | pAC50 | = | 5.0 | Functional | ChEMBL | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 10.1038/s41467-023-40064-9 | ||
| 5360696 | 1406 | 30 | None | -1737 | 11 | Human | 5.0 | pAC50 | = | 5.0 | Functional | ChEMBL | 271 | 1 | 0 | 2 | 3.4 | COc1ccc2c(c1)[C@@]13CCCC[C@@H]3[C@H](C2)N(CC1)C | 10.1038/s41467-023-40064-9 | ||
| 6953 | 1406 | 30 | None | -1737 | 11 | Human | 5.0 | pAC50 | = | 5.0 | Functional | ChEMBL | 271 | 1 | 0 | 2 | 3.4 | COc1ccc2c(c1)[C@@]13CCCC[C@@H]3[C@H](C2)N(CC1)C | 10.1038/s41467-023-40064-9 | ||
| 842 | 1406 | 30 | None | -1737 | 11 | Human | 5.0 | pAC50 | = | 5.0 | Functional | ChEMBL | 271 | 1 | 0 | 2 | 3.4 | COc1ccc2c(c1)[C@@]13CCCC[C@@H]3[C@H](C2)N(CC1)C | 10.1038/s41467-023-40064-9 | ||
| CHEMBL52440 | 1406 | 30 | None | -1737 | 11 | Human | 5.0 | pAC50 | = | 5.0 | Functional | ChEMBL | 271 | 1 | 0 | 2 | 3.4 | COc1ccc2c(c1)[C@@]13CCCC[C@@H]3[C@H](C2)N(CC1)C | 10.1038/s41467-023-40064-9 | ||
| DB00514 | 1406 | 30 | None | -1737 | 11 | Human | 5.0 | pAC50 | = | 5.0 | Functional | ChEMBL | 271 | 1 | 0 | 2 | 3.4 | COc1ccc2c(c1)[C@@]13CCCC[C@@H]3[C@H](C2)N(CC1)C | 10.1038/s41467-023-40064-9 | ||
| 2200 | 20203 | 61 | None | -6 | 12 | Human | 5.0 | pAC50 | = | 5.0 | Functional | ChEMBL | 265 | 5 | 1 | 3 | 2.7 | c1ccc(CN(CC2=NCCN2)c2ccccc2)cc1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1256819 | 20203 | 61 | None | -6 | 12 | Human | 5.0 | pAC50 | = | 5.0 | Functional | ChEMBL | 265 | 5 | 1 | 3 | 2.7 | c1ccc(CN(CC2=NCCN2)c2ccccc2)cc1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1305 | 20203 | 61 | None | -6 | 12 | Human | 5.0 | pAC50 | = | 5.0 | Functional | ChEMBL | 265 | 5 | 1 | 3 | 2.7 | c1ccc(CN(CC2=NCCN2)c2ccccc2)cc1 | 10.1038/s41467-023-40064-9 | ||
| 6436173 | 55116 | 45 | None | -3 | 22 | Human | 5.0 | pAC50 | = | 5.0 | Functional | ChEMBL | 785 | 2 | 5 | 13 | 6.2 | CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c5c(nc6cc(C)ccn65)c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1617 | 55116 | 45 | None | -3 | 22 | Human | 5.0 | pAC50 | = | 5.0 | Functional | ChEMBL | 785 | 2 | 5 | 13 | 6.2 | CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c5c(nc6cc(C)ccn65)c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C | 10.1038/s41467-023-40064-9 | ||
| 108000 | 56853 | 39 | None | -32 | 5 | Human | 5.0 | pAC50 | = | 5.0 | Functional | ChEMBL | 279 | 2 | 1 | 3 | 2.9 | Cn1cc(C(=O)[C@@H]2CCc3[nH]cnc3C2)c2ccccc21 | 10.1038/s41467-023-40064-9 | ||
| 135418340 | 56853 | 39 | None | -32 | 5 | Human | 5.0 | pAC50 | = | 5.0 | Functional | ChEMBL | 279 | 2 | 1 | 3 | 2.9 | Cn1cc(C(=O)[C@@H]2CCc3[nH]cnc3C2)c2ccccc21 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1643895 | 56853 | 39 | None | -32 | 5 | Human | 5.0 | pAC50 | = | 5.0 | Functional | ChEMBL | 279 | 2 | 1 | 3 | 2.9 | Cn1cc(C(=O)[C@@H]2CCc3[nH]cnc3C2)c2ccccc21 | 10.1038/s41467-023-40064-9 | ||
| 55645 | 84370 | 8 | None | -3890 | 11 | Human | 5.0 | pAC50 | = | 5.0 | Functional | ChEMBL | 395 | 7 | 2 | 4 | 2.1 | CCCN1CC(NS(=O)(=O)N(CC)CC)CC2Cc3c(O)cccc3CC21 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL2218861 | 84370 | 8 | None | -3890 | 11 | Human | 5.0 | pAC50 | = | 5.0 | Functional | ChEMBL | 395 | 7 | 2 | 4 | 2.1 | CCCN1CC(NS(=O)(=O)N(CC)CC)CC2Cc3c(O)cccc3CC21 | 10.1038/s41467-023-40064-9 | ||
| 135398735 | 136968 | 32 | None | -4 | 27 | Human | 5.0 | pAC50 | = | 5.0 | Functional | ChEMBL | 822 | 4 | 6 | 15 | 4.3 | CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(/C=N/N5CCN(C)CC5)c(O)c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C | 10.1038/s41467-023-40064-9 | ||
| 136262914 | 136968 | 32 | None | -4 | 27 | Human | 5.0 | pAC50 | = | 5.0 | Functional | ChEMBL | 822 | 4 | 6 | 15 | 4.3 | CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(/C=N/N5CCN(C)CC5)c(O)c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C | 10.1038/s41467-023-40064-9 | ||
| CHEMBL374478 | 136968 | 32 | None | -4 | 27 | Human | 5.0 | pAC50 | = | 5.0 | Functional | ChEMBL | 822 | 4 | 6 | 15 | 4.3 | CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(/C=N/N5CCN(C)CC5)c(O)c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C | 10.1038/s41467-023-40064-9 | ||
| 4976 | 203579 | 29 | None | -1230 | 15 | Human | 5.0 | pAC50 | = | 5.0 | Functional | ChEMBL | 263 | 4 | 1 | 1 | 4.3 | CNCCCC1c2ccccc2C=Cc2ccccc21 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL668 | 203579 | 29 | None | -1230 | 15 | Human | 5.0 | pAC50 | = | 5.0 | Functional | ChEMBL | 263 | 4 | 1 | 1 | 4.3 | CNCCCC1c2ccccc2C=Cc2ccccc21 | 10.1038/s41467-023-40064-9 | ||
| 242 | 470 | 124 | None | -32 | 33 | Human | 7.0 | pAC50 | = | 7.0 | Functional | ChEMBL | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | 10.1038/s41467-023-40064-9 | ||
| 34 | 470 | 124 | None | -32 | 33 | Human | 7.0 | pAC50 | = | 7.0 | Functional | ChEMBL | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | 10.1038/s41467-023-40064-9 | ||
| 60795 | 470 | 124 | None | -32 | 33 | Human | 7.0 | pAC50 | = | 7.0 | Functional | ChEMBL | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1112 | 470 | 124 | None | -32 | 33 | Human | 7.0 | pAC50 | = | 7.0 | Functional | ChEMBL | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | 10.1038/s41467-023-40064-9 | ||
| DB01238 | 470 | 124 | None | -32 | 33 | Human | 7.0 | pAC50 | = | 7.0 | Functional | ChEMBL | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | 10.1038/s41467-023-40064-9 | ||
| 213046 | 2385 | 59 | None | -69 | 17 | Human | 6.0 | pAC50 | = | 6.0 | Functional | ChEMBL | 492 | 5 | 0 | 6 | 4.3 | O=C1N(C[C@@H]2CCCC[C@H]2CN2CCN(CC2)c2nsc3c2cccc3)C(=O)[C@@H]2[C@H]1[C@H]1CC[C@@H]2C1 | 10.1038/s41467-023-40064-9 | ||
| 4168 | 2385 | 59 | None | -69 | 17 | Human | 6.0 | pAC50 | = | 6.0 | Functional | ChEMBL | 492 | 5 | 0 | 6 | 4.3 | O=C1N(C[C@@H]2CCCC[C@H]2CN2CCN(CC2)c2nsc3c2cccc3)C(=O)[C@@H]2[C@H]1[C@H]1CC[C@@H]2C1 | 10.1038/s41467-023-40064-9 | ||
| 7461 | 2385 | 59 | None | -69 | 17 | Human | 6.0 | pAC50 | = | 6.0 | Functional | ChEMBL | 492 | 5 | 0 | 6 | 4.3 | O=C1N(C[C@@H]2CCCC[C@H]2CN2CCN(CC2)c2nsc3c2cccc3)C(=O)[C@@H]2[C@H]1[C@H]1CC[C@@H]2C1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1237021 | 2385 | 59 | None | -69 | 17 | Human | 6.0 | pAC50 | = | 6.0 | Functional | ChEMBL | 492 | 5 | 0 | 6 | 4.3 | O=C1N(C[C@@H]2CCCC[C@H]2CN2CCN(CC2)c2nsc3c2cccc3)C(=O)[C@@H]2[C@H]1[C@H]1CC[C@@H]2C1 | 10.1038/s41467-023-40064-9 | ||
| DB08815 | 2385 | 59 | None | -69 | 17 | Human | 6.0 | pAC50 | = | 6.0 | Functional | ChEMBL | 492 | 5 | 0 | 6 | 4.3 | O=C1N(C[C@@H]2CCCC[C@H]2CN2CCN(CC2)c2nsc3c2cccc3)C(=O)[C@@H]2[C@H]1[C@H]1CC[C@@H]2C1 | 10.1038/s41467-023-40064-9 | ||
| 443955 | 204370 | 92 | None | 2 | 8 | Human | 6.0 | pAC50 | = | 6.0 | Functional | ChEMBL | 350 | 3 | 0 | 4 | 4.1 | CCOC(=O)C1=C[C@]2(CC)CCCN3CCc4c(n1c1ccccc41)[C@@H]32 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL71752 | 204370 | 92 | None | 2 | 8 | Human | 6.0 | pAC50 | = | 6.0 | Functional | ChEMBL | 350 | 3 | 0 | 4 | 4.1 | CCOC(=O)C1=C[C@]2(CC)CCCN3CCc4c(n1c1ccccc41)[C@@H]32 | 10.1038/s41467-023-40064-9 | ||
| 1613 | 2348 | 53 | None | -144 | 34 | Human | 5.9 | pAC50 | = | 5.9 | Functional | ChEMBL | 327 | 0 | 0 | 4 | 3.8 | CN1CCN(CC1)C1=Nc2ccccc2Oc2c1cc(Cl)cc2 | 10.1038/s41467-023-40064-9 | ||
| 205 | 2348 | 53 | None | -144 | 34 | Human | 5.9 | pAC50 | = | 5.9 | Functional | ChEMBL | 327 | 0 | 0 | 4 | 3.8 | CN1CCN(CC1)C1=Nc2ccccc2Oc2c1cc(Cl)cc2 | 10.1038/s41467-023-40064-9 | ||
| 3964 | 2348 | 53 | None | -144 | 34 | Human | 5.9 | pAC50 | = | 5.9 | Functional | ChEMBL | 327 | 0 | 0 | 4 | 3.8 | CN1CCN(CC1)C1=Nc2ccccc2Oc2c1cc(Cl)cc2 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL831 | 2348 | 53 | None | -144 | 34 | Human | 5.9 | pAC50 | = | 5.9 | Functional | ChEMBL | 327 | 0 | 0 | 4 | 3.8 | CN1CCN(CC1)C1=Nc2ccccc2Oc2c1cc(Cl)cc2 | 10.1038/s41467-023-40064-9 | ||
| DB00408 | 2348 | 53 | None | -144 | 34 | Human | 5.9 | pAC50 | = | 5.9 | Functional | ChEMBL | 327 | 0 | 0 | 4 | 3.8 | CN1CCN(CC1)C1=Nc2ccccc2Oc2c1cc(Cl)cc2 | 10.1038/s41467-023-40064-9 | ||
| 11626560 | 200937 | 94 | None | -1 | 14 | Human | 5.9 | pAC50 | = | 5.9 | Functional | ChEMBL | 449 | 5 | 2 | 6 | 5.0 | C[C@@H](Oc1cc(-c2cnn(C3CCNCC3)c2)cnc1N)c1c(Cl)ccc(F)c1Cl | 10.1038/s41467-023-40064-9 | ||
| CHEMBL601719 | 200937 | 94 | None | -1 | 14 | Human | 5.9 | pAC50 | = | 5.9 | Functional | ChEMBL | 449 | 5 | 2 | 6 | 5.0 | C[C@@H](Oc1cc(-c2cnn(C3CCNCC3)c2)cnc1N)c1c(Cl)ccc(F)c1Cl | 10.1038/s41467-023-40064-9 | ||
| 55483 | 205097 | 40 | None | -7 | 11 | Human | 5.9 | pAC50 | = | 5.9 | Functional | ChEMBL | 356 | 13 | 4 | 4 | 3.6 | Oc1ccc(CCNCCCCCCNCCc2ccccc2)cc1O | 10.1038/s41467-023-40064-9 | ||
| CHEMBL77622 | 205097 | 40 | None | -7 | 11 | Human | 5.9 | pAC50 | = | 5.9 | Functional | ChEMBL | 356 | 13 | 4 | 4 | 3.6 | Oc1ccc(CCNCCCCCCNCCc2ccccc2)cc1O | 10.1038/s41467-023-40064-9 | ||
| 2540 | 4401 | 111 | None | -1737 | 28 | Human | 4.9 | pAC50 | = | 4.9 | Functional | ChEMBL | 610 | 10 | 1 | 11 | 6.3 | CCOc1nc2cccc(C(=O)OC(C)OC(=O)OC3CCCCC3)c2n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1014 | 4401 | 111 | None | -1737 | 28 | Human | 4.9 | pAC50 | = | 4.9 | Functional | ChEMBL | 610 | 10 | 1 | 11 | 6.3 | CCOc1nc2cccc(C(=O)OC(C)OC(=O)OC3CCCCC3)c2n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 | 10.1038/s41467-023-40064-9 | ||
| 8550 | 14424 | 57 | None | -1 | 7 | Human | 4.9 | pAC50 | = | 4.9 | Functional | ChEMBL | 578 | 7 | 1 | 9 | 4.2 | COC(=O)[C@H]1[C@H]2C[C@@H]3c4[nH]c5ccccc5c4CCN3C[C@H]2C[C@@H](OC(=O)c2cc(OC)c(OC)c(OC)c2)[C@@H]1OC | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1200515 | 14424 | 57 | None | -1 | 7 | Human | 4.9 | pAC50 | = | 4.9 | Functional | ChEMBL | 578 | 7 | 1 | 9 | 4.2 | COC(=O)[C@H]1[C@H]2C[C@@H]3c4[nH]c5ccccc5c4CCN3C[C@H]2C[C@@H](OC(=O)c2cc(OC)c(OC)c(OC)c2)[C@@H]1OC | 10.1038/s41467-023-40064-9 | ||
| 131411 | 15392 | 70 | None | -4 | 10 | Human | 4.9 | pAC50 | = | 4.9 | Functional | ChEMBL | 476 | 7 | 1 | 6 | 5.2 | CCOC(=O)c1c(CSc2ccccc2)n(C)c2cc(Br)c(O)c(CN(C)C)c12 | 10.1038/s41467-023-40064-9 | ||
| 28446253 | 15392 | 70 | None | -4 | 10 | Human | 4.9 | pAC50 | = | 4.9 | Functional | ChEMBL | 476 | 7 | 1 | 6 | 5.2 | CCOC(=O)c1c(CSc2ccccc2)n(C)c2cc(Br)c(O)c(CN(C)C)c12 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1214598 | 15392 | 70 | None | -4 | 10 | Human | 4.9 | pAC50 | = | 4.9 | Functional | ChEMBL | 476 | 7 | 1 | 6 | 5.2 | CCOC(=O)c1c(CSc2ccccc2)n(C)c2cc(Br)c(O)c(CN(C)C)c12 | 10.1038/s41467-023-40064-9 | ||
| 11291 | 98796 | 25 | None | -331 | 3 | Human | 4.9 | pAC50 | = | 4.9 | Functional | ChEMBL | 261 | 1 | 0 | 1 | 3.9 | CN1CCC2=C(C1)C(c1ccccc1)c1ccccc12 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL278398 | 98796 | 25 | None | -331 | 3 | Human | 4.9 | pAC50 | = | 4.9 | Functional | ChEMBL | 261 | 1 | 0 | 1 | 3.9 | CN1CCC2=C(C1)C(c1ccccc1)c1ccccc12 | 10.1038/s41467-023-40064-9 | ||
| 2583 | 3776 | 118 | None | -7079 | 16 | Human | 4.9 | pAC50 | = | 4.9 | Functional | ChEMBL | 514 | 7 | 1 | 5 | 7.3 | CCCc1nc2c(n1Cc1ccc(cc1)c1ccccc1C(=O)O)cc(cc2C)c1nc2c(n1C)cccc2 | 10.1038/s41467-023-40064-9 | ||
| 592 | 3776 | 118 | None | -7079 | 16 | Human | 4.9 | pAC50 | = | 4.9 | Functional | ChEMBL | 514 | 7 | 1 | 5 | 7.3 | CCCc1nc2c(n1Cc1ccc(cc1)c1ccccc1C(=O)O)cc(cc2C)c1nc2c(n1C)cccc2 | 10.1038/s41467-023-40064-9 | ||
| 65999 | 3776 | 118 | None | -7079 | 16 | Human | 4.9 | pAC50 | = | 4.9 | Functional | ChEMBL | 514 | 7 | 1 | 5 | 7.3 | CCCc1nc2c(n1Cc1ccc(cc1)c1ccccc1C(=O)O)cc(cc2C)c1nc2c(n1C)cccc2 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1017 | 3776 | 118 | None | -7079 | 16 | Human | 4.9 | pAC50 | = | 4.9 | Functional | ChEMBL | 514 | 7 | 1 | 5 | 7.3 | CCCc1nc2c(n1Cc1ccc(cc1)c1ccccc1C(=O)O)cc(cc2C)c1nc2c(n1C)cccc2 | 10.1038/s41467-023-40064-9 | ||
| DB00966 | 3776 | 118 | None | -7079 | 16 | Human | 4.9 | pAC50 | = | 4.9 | Functional | ChEMBL | 514 | 7 | 1 | 5 | 7.3 | CCCc1nc2c(n1Cc1ccc(cc1)c1ccccc1C(=O)O)cc(cc2C)c1nc2c(n1C)cccc2 | 10.1038/s41467-023-40064-9 | ||
| 71496458 | 115564 | 87 | None | -33 | 16 | Human | 4.9 | pAC50 | = | 4.9 | Functional | ChEMBL | 499 | 10 | 2 | 8 | 4.5 | C=CC(=O)Nc1cc(Nc2nccc(-c3cn(C)c4ccccc34)n2)c(OC)cc1N(C)CCN(C)C | 10.1038/s41467-023-40064-9 | ||
| CHEMBL3353410 | 115564 | 87 | None | -33 | 16 | Human | 4.9 | pAC50 | = | 4.9 | Functional | ChEMBL | 499 | 10 | 2 | 8 | 4.5 | C=CC(=O)Nc1cc(Nc2nccc(-c3cn(C)c4ccccc34)n2)c(OC)cc1N(C)CCN(C)C | 10.1038/s41467-023-40064-9 | ||
| 104850 | 3330 | 96 | None | -1122 | 27 | Human | 4.9 | pAC50 | = | 4.9 | Functional | ChEMBL | 462 | 4 | 1 | 4 | 5.9 | Clc1ccc(cc1)c1c(C)c(nn1c1ccc(cc1Cl)Cl)C(=O)NN1CCCCC1 | 10.1038/s41467-023-40064-9 | ||
| 4150 | 3330 | 96 | None | -1122 | 27 | Human | 4.9 | pAC50 | = | 4.9 | Functional | ChEMBL | 462 | 4 | 1 | 4 | 5.9 | Clc1ccc(cc1)c1c(C)c(nn1c1ccc(cc1Cl)Cl)C(=O)NN1CCCCC1 | 10.1038/s41467-023-40064-9 | ||
| 743 | 3330 | 96 | None | -1122 | 27 | Human | 4.9 | pAC50 | = | 4.9 | Functional | ChEMBL | 462 | 4 | 1 | 4 | 5.9 | Clc1ccc(cc1)c1c(C)c(nn1c1ccc(cc1Cl)Cl)C(=O)NN1CCCCC1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL111 | 3330 | 96 | None | -1122 | 27 | Human | 4.9 | pAC50 | = | 4.9 | Functional | ChEMBL | 462 | 4 | 1 | 4 | 5.9 | Clc1ccc(cc1)c1c(C)c(nn1c1ccc(cc1Cl)Cl)C(=O)NN1CCCCC1 | 10.1038/s41467-023-40064-9 | ||
| DB06155 | 3330 | 96 | None | -1122 | 27 | Human | 4.9 | pAC50 | = | 4.9 | Functional | ChEMBL | 462 | 4 | 1 | 4 | 5.9 | Clc1ccc(cc1)c1c(C)c(nn1c1ccc(cc1Cl)Cl)C(=O)NN1CCCCC1 | 10.1038/s41467-023-40064-9 | ||
| 5282175 | 14432 | 36 | None | -14 | 4 | Human | 4.9 | pAC50 | = | 4.9 | Functional | ChEMBL | 424 | 16 | 2 | 5 | 5.1 | CCCCCCCC(=O)CC[C@@H]1[C@@H](C/C=C\CCCC(=O)OC(C)C)[C@@H](O)C[C@H]1O | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1200661 | 14432 | 36 | None | -14 | 4 | Human | 4.9 | pAC50 | = | 4.9 | Functional | ChEMBL | 424 | 16 | 2 | 5 | 5.1 | CCCCCCCC(=O)CC[C@@H]1[C@@H](C/C=C\CCCC(=O)OC(C)C)[C@@H](O)C[C@H]1O | 10.1038/s41467-023-40064-9 | ||
| 65948 | 18556 | 109 | None | -5 | 6 | Human | 4.9 | pAC50 | = | 4.9 | Functional | ChEMBL | 582 | 9 | 2 | 9 | 4.7 | CC1=C(C(=O)OC(C)C)C(c2cccc([N+](=O)[O-])c2)C(C(=O)OC2CN(C(c3ccccc3)c3ccccc3)C2)=C(N)N1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1275868 | 18556 | 109 | None | -5 | 6 | Human | 4.9 | pAC50 | = | 4.9 | Functional | ChEMBL | 582 | 9 | 2 | 9 | 4.7 | CC1=C(C(=O)OC(C)C)C(c2cccc([N+](=O)[O-])c2)C(C(=O)OC2CN(C(c3ccccc3)c3ccccc3)C2)=C(N)N1 | 10.1038/s41467-023-40064-9 | ||
| 2794 | 19380 | 85 | None | -14 | 7 | Human | 4.9 | pAC50 | = | 4.9 | Functional | ChEMBL | 472 | 4 | 1 | 4 | 7.5 | CC(C)/N=c1\cc2n(-c3ccc(Cl)cc3)c3ccccc3nc-2cc1Nc1ccc(Cl)cc1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1292 | 19380 | 85 | None | -14 | 7 | Human | 4.9 | pAC50 | = | 4.9 | Functional | ChEMBL | 472 | 4 | 1 | 4 | 7.5 | CC(C)/N=c1\cc2n(-c3ccc(Cl)cc3)c3ccccc3nc-2cc1Nc1ccc(Cl)cc1 | 10.1038/s41467-023-40064-9 | ||
| 7028 | 52380 | 22 | None | -102 | 3 | Human | 4.9 | pAC50 | = | 4.9 | Functional | ChEMBL | 165 | 3 | 2 | 2 | 1.3 | CN[C@@H](C)[C@@H](O)c1ccccc1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1590 | 52380 | 22 | None | -102 | 3 | Human | 4.9 | pAC50 | = | 4.9 | Functional | ChEMBL | 165 | 3 | 2 | 2 | 1.3 | CN[C@@H](C)[C@@H](O)c1ccccc1 | 10.1038/s41467-023-40064-9 | ||
| 2467 | 67425 | 51 | None | -3 | 5 | Human | 4.9 | pAC50 | = | 4.9 | Functional | ChEMBL | 307 | 8 | 0 | 5 | 2.8 | COc1cc(OC)c(C(=O)CCCN2CCCC2)c(OC)c1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL188921 | 67425 | 51 | None | -3 | 5 | Human | 4.9 | pAC50 | = | 4.9 | Functional | ChEMBL | 307 | 8 | 0 | 5 | 2.8 | COc1cc(OC)c(C(=O)CCCN2CCCC2)c(OC)c1 | 10.1038/s41467-023-40064-9 | ||
| 2375 | 158394 | 106 | None | -5 | 2 | Human | 4.9 | pAC50 | = | 4.9 | Functional | ChEMBL | 430 | 5 | 2 | 5 | 2.9 | CC(O)(CS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL409 | 158394 | 106 | None | -5 | 2 | Human | 4.9 | pAC50 | = | 4.9 | Functional | ChEMBL | 430 | 5 | 2 | 5 | 2.9 | CC(O)(CS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 | 10.1038/s41467-023-40064-9 | ||
| 37264 | 189422 | 24 | None | -8 | 3 | Human | 4.9 | pAC50 | = | 4.9 | Functional | ChEMBL | 435 | 6 | 2 | 10 | 1.3 | COc1cc2c(N)nc(N3CCN(C(=O)OCC(C)(C)O)CC3)nc2c(OC)c1OC | 10.1038/s41467-023-40064-9 | ||
| CHEMBL513301 | 189422 | 24 | None | -8 | 3 | Human | 4.9 | pAC50 | = | 4.9 | Functional | ChEMBL | 435 | 6 | 2 | 10 | 1.3 | COc1cc2c(N)nc(N3CCN(C(=O)OCC(C)(C)O)CC3)nc2c(OC)c1OC | 10.1038/s41467-023-40064-9 | ||
| 68867 | 78173 | 38 | None | -61 | 13 | Human | 5.9 | pAC50 | = | 5.9 | Functional | ChEMBL | 402 | 7 | 2 | 6 | 3.1 | CCOc1cc(N)c([N+](=O)[O-])cc1C(=O)NC1CCN(CC2CC=CCC2)CC1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL2104523 | 78173 | 38 | None | -61 | 13 | Human | 5.9 | pAC50 | = | 5.9 | Functional | ChEMBL | 402 | 7 | 2 | 6 | 3.1 | CCOc1cc(N)c([N+](=O)[O-])cc1C(=O)NC1CCN(CC2CC=CCC2)CC1 | 10.1038/s41467-023-40064-9 | ||
| 68602 | 205126 | 80 | None | -11 | 4 | Human | 5.9 | pAC50 | = | 5.9 | Functional | ChEMBL | 200 | 2 | 1 | 1 | 3.2 | Cc1cccc(C(C)c2c[nH]cn2)c1C | 10.1038/s41467-023-40064-9 | ||
| CHEMBL77921 | 205126 | 80 | None | -11 | 4 | Human | 5.9 | pAC50 | = | 5.9 | Functional | ChEMBL | 200 | 2 | 1 | 1 | 3.2 | Cc1cccc(C(C)c2c[nH]cn2)c1C | 10.1038/s41467-023-40064-9 | ||
| 2683 | 3834 | 60 | None | -5 | 6 | Human | 5.9 | pAC50 | = | 5.9 | Functional | ChEMBL | 253 | 1 | 2 | 6 | 1.7 | Clc1ccc2c(c1NC1=NCCN1)nsn2 | 10.1038/s41467-023-40064-9 | ||
| 5487 | 3834 | 60 | None | -5 | 6 | Human | 5.9 | pAC50 | = | 5.9 | Functional | ChEMBL | 253 | 1 | 2 | 6 | 1.7 | Clc1ccc2c(c1NC1=NCCN1)nsn2 | 10.1038/s41467-023-40064-9 | ||
| 7308 | 3834 | 60 | None | -5 | 6 | Human | 5.9 | pAC50 | = | 5.9 | Functional | ChEMBL | 253 | 1 | 2 | 6 | 1.7 | Clc1ccc2c(c1NC1=NCCN1)nsn2 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1079 | 3834 | 60 | None | -5 | 6 | Human | 5.9 | pAC50 | = | 5.9 | Functional | ChEMBL | 253 | 1 | 2 | 6 | 1.7 | Clc1ccc2c(c1NC1=NCCN1)nsn2 | 10.1038/s41467-023-40064-9 | ||
| DB00697 | 3834 | 60 | None | -5 | 6 | Human | 5.9 | pAC50 | = | 5.9 | Functional | ChEMBL | 253 | 1 | 2 | 6 | 1.7 | Clc1ccc2c(c1NC1=NCCN1)nsn2 | 10.1038/s41467-023-40064-9 | ||
| 4066 | 204626 | 78 | None | -870 | 16 | Human | 4.9 | pAC50 | = | 4.9 | Functional | ChEMBL | 322 | 2 | 0 | 3 | 4.6 | c1ccc2c(c1)Sc1ccccc1N2CC1CN2CCC1CC2 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL73451 | 204626 | 78 | None | -870 | 16 | Human | 4.9 | pAC50 | = | 4.9 | Functional | ChEMBL | 322 | 2 | 0 | 3 | 4.6 | c1ccc2c(c1)Sc1ccccc1N2CC1CN2CCC1CC2 | 10.1038/s41467-023-40064-9 | ||
| 1043 | 1582 | 14 | None | -208 | 22 | Human | 6.9 | pAC50 | = | 6.9 | Functional | ChEMBL | 581 | 4 | 3 | 6 | 2.0 | O=C([C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)N[C@]1(C)O[C@@]2(N(C1=O)[C@@H](Cc1ccccc1)C(=O)N1[C@H]2CCC1)O | 10.1038/s41467-023-40064-9 | ||
| 149 | 1582 | 14 | None | -208 | 22 | Human | 6.9 | pAC50 | = | 6.9 | Functional | ChEMBL | 581 | 4 | 3 | 6 | 2.0 | O=C([C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)N[C@]1(C)O[C@@]2(N(C1=O)[C@@H](Cc1ccccc1)C(=O)N1[C@H]2CCC1)O | 10.1038/s41467-023-40064-9 | ||
| 8223 | 1582 | 14 | None | -208 | 22 | Human | 6.9 | pAC50 | = | 6.9 | Functional | ChEMBL | 581 | 4 | 3 | 6 | 2.0 | O=C([C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)N[C@]1(C)O[C@@]2(N(C1=O)[C@@H](Cc1ccccc1)C(=O)N1[C@H]2CCC1)O | 10.1038/s41467-023-40064-9 | ||
| CHEMBL442 | 1582 | 14 | None | -208 | 22 | Human | 6.9 | pAC50 | = | 6.9 | Functional | ChEMBL | 581 | 4 | 3 | 6 | 2.0 | O=C([C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)N[C@]1(C)O[C@@]2(N(C1=O)[C@@H](Cc1ccccc1)C(=O)N1[C@H]2CCC1)O | 10.1038/s41467-023-40064-9 | ||
| DB00696 | 1582 | 14 | None | -208 | 22 | Human | 6.9 | pAC50 | = | 6.9 | Functional | ChEMBL | 581 | 4 | 3 | 6 | 2.0 | O=C([C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)N[C@]1(C)O[C@@]2(N(C1=O)[C@@H](Cc1ccccc1)C(=O)N1[C@H]2CCC1)O | 10.1038/s41467-023-40064-9 | ||
| 202 | 1508 | 77 | None | 1 | 17 | Human | 5.9 | pAC50 | = | 5.9 | Functional | ChEMBL | 297 | 6 | 1 | 3 | 4.6 | CNCC[C@@H](c1cccs1)Oc1cccc2c1cccc2 | 10.1038/s41467-023-40064-9 | ||
| 60835 | 1508 | 77 | None | 1 | 17 | Human | 5.9 | pAC50 | = | 5.9 | Functional | ChEMBL | 297 | 6 | 1 | 3 | 4.6 | CNCC[C@@H](c1cccs1)Oc1cccc2c1cccc2 | 10.1038/s41467-023-40064-9 | ||
| 972 | 1508 | 77 | None | 1 | 17 | Human | 5.9 | pAC50 | = | 5.9 | Functional | ChEMBL | 297 | 6 | 1 | 3 | 4.6 | CNCC[C@@H](c1cccs1)Oc1cccc2c1cccc2 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1175 | 1508 | 77 | None | 1 | 17 | Human | 5.9 | pAC50 | = | 5.9 | Functional | ChEMBL | 297 | 6 | 1 | 3 | 4.6 | CNCC[C@@H](c1cccs1)Oc1cccc2c1cccc2 | 10.1038/s41467-023-40064-9 | ||
| DB00476 | 1508 | 77 | None | 1 | 17 | Human | 5.9 | pAC50 | = | 5.9 | Functional | ChEMBL | 297 | 6 | 1 | 3 | 4.6 | CNCC[C@@H](c1cccs1)Oc1cccc2c1cccc2 | 10.1038/s41467-023-40064-9 | ||
| 124 | 2981 | 47 | None | -144 | 24 | Human | 5.9 | pAC50 | = | 5.9 | Functional | ChEMBL | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | 10.1038/s41467-023-40064-9 | ||
| 2032 | 2981 | 47 | None | -144 | 24 | Human | 5.9 | pAC50 | = | 5.9 | Functional | ChEMBL | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | 10.1038/s41467-023-40064-9 | ||
| 4636 | 2981 | 47 | None | -144 | 24 | Human | 5.9 | pAC50 | = | 5.9 | Functional | ChEMBL | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | 10.1038/s41467-023-40064-9 | ||
| CHEMBL762 | 2981 | 47 | None | -144 | 24 | Human | 5.9 | pAC50 | = | 5.9 | Functional | ChEMBL | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | 10.1038/s41467-023-40064-9 | ||
| DB00935 | 2981 | 47 | None | -144 | 24 | Human | 5.9 | pAC50 | = | 5.9 | Functional | ChEMBL | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | 10.1038/s41467-023-40064-9 | ||
| 2274 | 3173 | 58 | None | -22 | 36 | Human | 5.9 | pAC50 | = | 5.9 | Functional | ChEMBL | 373 | 4 | 0 | 4 | 4.6 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(Cl)cc2 | 10.1038/s41467-023-40064-9 | ||
| 4917 | 3173 | 58 | None | -22 | 36 | Human | 5.9 | pAC50 | = | 5.9 | Functional | ChEMBL | 373 | 4 | 0 | 4 | 4.6 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(Cl)cc2 | 10.1038/s41467-023-40064-9 | ||
| 7279 | 3173 | 58 | None | -22 | 36 | Human | 5.9 | pAC50 | = | 5.9 | Functional | ChEMBL | 373 | 4 | 0 | 4 | 4.6 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(Cl)cc2 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL728 | 3173 | 58 | None | -22 | 36 | Human | 5.9 | pAC50 | = | 5.9 | Functional | ChEMBL | 373 | 4 | 0 | 4 | 4.6 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(Cl)cc2 | 10.1038/s41467-023-40064-9 | ||
| DB00433 | 3173 | 58 | None | -22 | 36 | Human | 5.9 | pAC50 | = | 5.9 | Functional | ChEMBL | 373 | 4 | 0 | 4 | 4.6 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(Cl)cc2 | 10.1038/s41467-023-40064-9 | ||
| 212 | 3806 | 47 | None | -524 | 22 | Human | 5.9 | pAC50 | = | 5.9 | Functional | ChEMBL | 443 | 5 | 0 | 5 | 3.5 | CN1CCN(CC1)CC/C=C\1/c2ccccc2Sc2c1cc(cc2)S(=O)(=O)N(C)C | 10.1038/s41467-023-40064-9 | ||
| 2639 | 3806 | 47 | None | -524 | 22 | Human | 5.9 | pAC50 | = | 5.9 | Functional | ChEMBL | 443 | 5 | 0 | 5 | 3.5 | CN1CCN(CC1)CC/C=C\1/c2ccccc2Sc2c1cc(cc2)S(=O)(=O)N(C)C | 10.1038/s41467-023-40064-9 | ||
| 941651 | 3806 | 47 | None | -524 | 22 | Human | 5.9 | pAC50 | = | 5.9 | Functional | ChEMBL | 443 | 5 | 0 | 5 | 3.5 | CN1CCN(CC1)CC/C=C\1/c2ccccc2Sc2c1cc(cc2)S(=O)(=O)N(C)C | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1201 | 3806 | 47 | None | -524 | 22 | Human | 5.9 | pAC50 | = | 5.9 | Functional | ChEMBL | 443 | 5 | 0 | 5 | 3.5 | CN1CCN(CC1)CC/C=C\1/c2ccccc2Sc2c1cc(cc2)S(=O)(=O)N(C)C | 10.1038/s41467-023-40064-9 | ||
| DB01623 | 3806 | 47 | None | -524 | 22 | Human | 5.9 | pAC50 | = | 5.9 | Functional | ChEMBL | 443 | 5 | 0 | 5 | 3.5 | CN1CCN(CC1)CC/C=C\1/c2ccccc2Sc2c1cc(cc2)S(=O)(=O)N(C)C | 10.1038/s41467-023-40064-9 | ||
| 56959 | 31556 | 103 | None | 3 | 9 | Human | 5.9 | pAC50 | = | 5.9 | Functional | ChEMBL | 427 | 9 | 2 | 6 | 2.3 | COc1ccccc1OCC(O)CN1CCN(CC(=O)Nc2c(C)cccc2C)CC1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1404 | 31556 | 103 | None | 3 | 9 | Human | 5.9 | pAC50 | = | 5.9 | Functional | ChEMBL | 427 | 9 | 2 | 6 | 2.3 | COc1ccccc1OCC(O)CN1CCN(CC(=O)Nc2c(C)cccc2C)CC1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1526084 | 31556 | 103 | None | 3 | 9 | Human | 5.9 | pAC50 | = | 5.9 | Functional | ChEMBL | 427 | 9 | 2 | 6 | 2.3 | COc1ccccc1OCC(O)CN1CCN(CC(=O)Nc2c(C)cccc2C)CC1 | 10.1038/s41467-023-40064-9 | ||
| 70691408 | 78212 | 0 | None | 3 | 4 | Human | 5.9 | pAC50 | = | 5.9 | Functional | ChEMBL | 326 | 1 | 2 | 4 | 1.6 | CCC1C2CC3C4N(C)c5ccccc5C45CC(C2[C@H]5O)N3C1O | 10.1038/s41467-023-40064-9 | ||
| CHEMBL2105617 | 78212 | 0 | None | 3 | 4 | Human | 5.9 | pAC50 | = | 5.9 | Functional | ChEMBL | 326 | 1 | 2 | 4 | 1.6 | CCC1C2CC3C4N(C)c5ccccc5C45CC(C2[C@H]5O)N3C1O | 10.1038/s41467-023-40064-9 | ||
| 4640 | 78266 | 30 | None | -11 | 11 | Human | 5.9 | pAC50 | = | 5.9 | Functional | ChEMBL | 379 | 6 | 1 | 4 | 3.9 | COc1cc2[nH]c(C)c(CCN3CCN(c4ccccc4)CC3)c2cc1OC | 10.1038/s41467-023-40064-9 | ||
| CHEMBL2107011 | 78266 | 30 | None | -11 | 11 | Human | 5.9 | pAC50 | = | 5.9 | Functional | ChEMBL | 379 | 6 | 1 | 4 | 3.9 | COc1cc2[nH]c(C)c(CCN3CCN(c4ccccc4)CC3)c2cc1OC | 10.1038/s41467-023-40064-9 | ||
| 243 | 3202 | 91 | None | -1202 | 5 | Human | 4.9 | pAC50 | = | 4.9 | Functional | ChEMBL | 367 | 6 | 2 | 5 | 2.1 | COCCCN1CCC(CC1)NC(=O)c1cc(Cl)c(c2c1OCC2)N | 10.1038/s41467-023-40064-9 | ||
| 3052762 | 3202 | 91 | None | -1202 | 5 | Human | 4.9 | pAC50 | = | 4.9 | Functional | ChEMBL | 367 | 6 | 2 | 5 | 2.1 | COCCCN1CCC(CC1)NC(=O)c1cc(Cl)c(c2c1OCC2)N | 10.1038/s41467-023-40064-9 | ||
| 3502 | 3202 | 91 | None | -1202 | 5 | Human | 4.9 | pAC50 | = | 4.9 | Functional | ChEMBL | 367 | 6 | 2 | 5 | 2.1 | COCCCN1CCC(CC1)NC(=O)c1cc(Cl)c(c2c1OCC2)N | 10.1038/s41467-023-40064-9 | ||
| CHEMBL117287 | 3202 | 91 | None | -1202 | 5 | Human | 4.9 | pAC50 | = | 4.9 | Functional | ChEMBL | 367 | 6 | 2 | 5 | 2.1 | COCCCN1CCC(CC1)NC(=O)c1cc(Cl)c(c2c1OCC2)N | 10.1038/s41467-023-40064-9 | ||
| DB06480 | 3202 | 91 | None | -1202 | 5 | Human | 4.9 | pAC50 | = | 4.9 | Functional | ChEMBL | 367 | 6 | 2 | 5 | 2.1 | COCCCN1CCC(CC1)NC(=O)c1cc(Cl)c(c2c1OCC2)N | 10.1038/s41467-023-40064-9 | ||
| 67462786 | 120517 | 56 | None | -3 | 6 | Human | 4.9 | pAC50 | = | 4.9 | Functional | ChEMBL | 446 | 9 | 1 | 8 | 4.2 | COc1cc(OC)cc(N(CCNC(C)C)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL3545376 | 120517 | 56 | None | -3 | 6 | Human | 4.9 | pAC50 | = | 4.9 | Functional | ChEMBL | 446 | 9 | 1 | 8 | 4.2 | COc1cc(OC)cc(N(CCNC(C)C)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1 | 10.1038/s41467-023-40064-9 | ||
| 122282 | 133509 | 57 | None | - | 1 | Human | 4.9 | pAC50 | = | 4.9 | Functional | ChEMBL | 198 | 0 | 0 | 2 | -0.4 | CN1C(=O)N(C)C2C1N(C)C(=O)N2C | 10.1038/s41467-023-40064-9 | ||
| CHEMBL3707390 | 133509 | 57 | None | - | 1 | Human | 4.9 | pAC50 | = | 4.9 | Functional | ChEMBL | 198 | 0 | 0 | 2 | -0.4 | CN1C(=O)N(C)C2C1N(C)C(=O)N2C | 10.1038/s41467-023-40064-9 | ||
| 3198 | 205513 | 76 | None | -50 | 37 | Human | 4.9 | pAC50 | = | 4.9 | Functional | ChEMBL | 380 | 6 | 0 | 3 | 5.8 | Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1201049 | 205513 | 76 | None | -50 | 37 | Human | 4.9 | pAC50 | = | 4.9 | Functional | ChEMBL | 380 | 6 | 0 | 3 | 5.8 | Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL808 | 205513 | 76 | None | -50 | 37 | Human | 4.9 | pAC50 | = | 4.9 | Functional | ChEMBL | 380 | 6 | 0 | 3 | 5.8 | Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1 | 10.1038/s41467-023-40064-9 | ||
| 137 | 370 | 52 | None | -6606 | 8 | Human | 4.8 | pAC50 | = | 4.8 | Functional | ChEMBL | 249 | 8 | 2 | 3 | 2.2 | C=CCc1ccccc1OCC(CNC(C)C)O | 10.1038/s41467-023-40064-9 | ||
| 2119 | 370 | 52 | None | -6606 | 8 | Human | 4.8 | pAC50 | = | 4.8 | Functional | ChEMBL | 249 | 8 | 2 | 3 | 2.2 | C=CCc1ccccc1OCC(CNC(C)C)O | 10.1038/s41467-023-40064-9 | ||
| 563 | 370 | 52 | None | -6606 | 8 | Human | 4.8 | pAC50 | = | 4.8 | Functional | ChEMBL | 249 | 8 | 2 | 3 | 2.2 | C=CCc1ccccc1OCC(CNC(C)C)O | 10.1038/s41467-023-40064-9 | ||
| 66368 | 370 | 52 | None | -6606 | 8 | Human | 4.8 | pAC50 | = | 4.8 | Functional | ChEMBL | 249 | 8 | 2 | 3 | 2.2 | C=CCc1ccccc1OCC(CNC(C)C)O | 10.1038/s41467-023-40064-9 | ||
| CHEMBL266195 | 370 | 52 | None | -6606 | 8 | Human | 4.8 | pAC50 | = | 4.8 | Functional | ChEMBL | 249 | 8 | 2 | 3 | 2.2 | C=CCc1ccccc1OCC(CNC(C)C)O | 10.1038/s41467-023-40064-9 | ||
| DB00866 | 370 | 52 | None | -6606 | 8 | Human | 4.8 | pAC50 | = | 4.8 | Functional | ChEMBL | 249 | 8 | 2 | 3 | 2.2 | C=CCc1ccccc1OCC(CNC(C)C)O | 10.1038/s41467-023-40064-9 | ||
| 2343 | 14454 | 57 | None | 1 | 4 | Human | 5.8 | pAC50 | = | 5.8 | Functional | ChEMBL | 431 | 5 | 2 | 6 | 2.2 | NS(=O)(=O)c1cc2c(cc1Cl)N=C(CSCc1ccccc1)NS2(=O)=O | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1201039 | 14454 | 57 | None | 1 | 4 | Human | 5.8 | pAC50 | = | 5.8 | Functional | ChEMBL | 431 | 5 | 2 | 6 | 2.2 | NS(=O)(=O)c1cc2c(cc1Cl)N=C(CSCc1ccccc1)NS2(=O)=O | 10.1038/s41467-023-40064-9 | ||
| 2303 | 3187 | 68 | None | -10000 | 20 | Human | 4.8 | pAC50 | = | 4.8 | Functional | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1038/s41467-023-40064-9 | ||
| 4946 | 3187 | 68 | None | -10000 | 20 | Human | 4.8 | pAC50 | = | 4.8 | Functional | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1038/s41467-023-40064-9 | ||
| 564 | 3187 | 68 | None | -10000 | 20 | Human | 4.8 | pAC50 | = | 4.8 | Functional | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1038/s41467-023-40064-9 | ||
| 63 | 3187 | 68 | None | -10000 | 20 | Human | 4.8 | pAC50 | = | 4.8 | Functional | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1038/s41467-023-40064-9 | ||
| 91536 | 3187 | 68 | None | -10000 | 20 | Human | 4.8 | pAC50 | = | 4.8 | Functional | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1038/s41467-023-40064-9 | ||
| CHEMBL27 | 3187 | 68 | None | -10000 | 20 | Human | 4.8 | pAC50 | = | 4.8 | Functional | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1038/s41467-023-40064-9 | ||
| CHEMBL452861 | 3187 | 68 | None | -10000 | 20 | Human | 4.8 | pAC50 | = | 4.8 | Functional | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1038/s41467-023-40064-9 | ||
| DB00571 | 3187 | 68 | None | -10000 | 20 | Human | 4.8 | pAC50 | = | 4.8 | Functional | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1038/s41467-023-40064-9 | ||
| 65859 | 19049 | 88 | None | -1 | 3 | Human | 4.8 | pAC50 | = | 4.8 | Functional | ChEMBL | 236 | 4 | 2 | 4 | 0.2 | OC[C@@H](O)CN1CCN(c2ccccc2)CC1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1288810 | 19049 | 88 | None | -1 | 3 | Human | 4.8 | pAC50 | = | 4.8 | Functional | ChEMBL | 236 | 4 | 2 | 4 | 0.2 | OC[C@@H](O)CN1CCN(c2ccccc2)CC1 | 10.1038/s41467-023-40064-9 | ||
| 5468 | 127228 | 85 | None | -1 | 3 | Human | 4.8 | pAC50 | = | 4.8 | Functional | ChEMBL | 260 | 4 | 1 | 3 | 3.2 | CC(C(=O)O)c1ccc(C(=O)c2ccccc2)s1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL365795 | 127228 | 85 | None | -1 | 3 | Human | 4.8 | pAC50 | = | 4.8 | Functional | ChEMBL | 260 | 4 | 1 | 3 | 3.2 | CC(C(=O)O)c1ccc(C(=O)c2ccccc2)s1 | 10.1038/s41467-023-40064-9 | ||
| 31101 | 729 | 40 | None | -323 | 29 | Human | 5.8 | pAC50 | = | 5.8 | Functional | ChEMBL | 653 | 5 | 3 | 6 | 3.2 | CC(C[C@H]1C(=O)N2CCC[C@H]2[C@]2(N1C(=O)[C@@](O2)(NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c([nH]3)Br)C(C)C)O)C | 10.1038/s41467-023-40064-9 | ||
| 35 | 729 | 40 | None | -323 | 29 | Human | 5.8 | pAC50 | = | 5.8 | Functional | ChEMBL | 653 | 5 | 3 | 6 | 3.2 | CC(C[C@H]1C(=O)N2CCC[C@H]2[C@]2(N1C(=O)[C@@](O2)(NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c([nH]3)Br)C(C)C)O)C | 10.1038/s41467-023-40064-9 | ||
| 403 | 729 | 40 | None | -323 | 29 | Human | 5.8 | pAC50 | = | 5.8 | Functional | ChEMBL | 653 | 5 | 3 | 6 | 3.2 | CC(C[C@H]1C(=O)N2CCC[C@H]2[C@]2(N1C(=O)[C@@](O2)(NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c([nH]3)Br)C(C)C)O)C | 10.1038/s41467-023-40064-9 | ||
| CHEMBL493 | 729 | 40 | None | -323 | 29 | Human | 5.8 | pAC50 | = | 5.8 | Functional | ChEMBL | 653 | 5 | 3 | 6 | 3.2 | CC(C[C@H]1C(=O)N2CCC[C@H]2[C@]2(N1C(=O)[C@@](O2)(NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c([nH]3)Br)C(C)C)O)C | 10.1038/s41467-023-40064-9 | ||
| DB01200 | 729 | 40 | None | -323 | 29 | Human | 5.8 | pAC50 | = | 5.8 | Functional | ChEMBL | 653 | 5 | 3 | 6 | 3.2 | CC(C[C@H]1C(=O)N2CCC[C@H]2[C@]2(N1C(=O)[C@@](O2)(NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c([nH]3)Br)C(C)C)O)C | 10.1038/s41467-023-40064-9 | ||
| 5311507 | 194815 | 41 | None | -13 | 12 | Human | 6.8 | pAC50 | = | 6.8 | Functional | ChEMBL | 400 | 5 | 1 | 4 | 4.2 | OCCN1CCN(CC/C=C2/c3ccccc3Sc3ccc(Cl)cc32)CC1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL53904 | 194815 | 41 | None | -13 | 12 | Human | 6.8 | pAC50 | = | 6.8 | Functional | ChEMBL | 400 | 5 | 1 | 4 | 4.2 | OCCN1CCN(CC/C=C2/c3ccccc3Sc3ccc(Cl)cc32)CC1 | 10.1038/s41467-023-40064-9 | ||
| 216416 | 111581 | 48 | None | -18 | 23 | Human | 5.8 | pAC50 | = | 5.8 | Functional | ChEMBL | 413 | 6 | 1 | 3 | 5.7 | Oc1ccc2c(c1)CC[C@H](c1ccccc1)[C@@H]2c1ccc(OCCN2CCCC2)cc1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL328190 | 111581 | 48 | None | -18 | 23 | Human | 5.8 | pAC50 | = | 5.8 | Functional | ChEMBL | 413 | 6 | 1 | 3 | 5.7 | Oc1ccc2c(c1)CC[C@H](c1ccccc1)[C@@H]2c1ccc(OCCN2CCCC2)cc1 | 10.1038/s41467-023-40064-9 | ||
| 1547484 | 940 | 74 | None | -38 | 26 | Human | 4.8 | pAC50 | = | 4.8 | Functional | ChEMBL | 368 | 6 | 0 | 2 | 5.1 | c1ccc(cc1)/C=C/CN1CCN(CC1)C(c1ccccc1)c1ccccc1 | 10.1038/s41467-023-40064-9 | ||
| 654 | 940 | 74 | None | -38 | 26 | Human | 4.8 | pAC50 | = | 4.8 | Functional | ChEMBL | 368 | 6 | 0 | 2 | 5.1 | c1ccc(cc1)/C=C/CN1CCN(CC1)C(c1ccccc1)c1ccccc1 | 10.1038/s41467-023-40064-9 | ||
| 9072 | 940 | 74 | None | -38 | 26 | Human | 4.8 | pAC50 | = | 4.8 | Functional | ChEMBL | 368 | 6 | 0 | 2 | 5.1 | c1ccc(cc1)/C=C/CN1CCN(CC1)C(c1ccccc1)c1ccccc1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL43064 | 940 | 74 | None | -38 | 26 | Human | 4.8 | pAC50 | = | 4.8 | Functional | ChEMBL | 368 | 6 | 0 | 2 | 5.1 | c1ccc(cc1)/C=C/CN1CCN(CC1)C(c1ccccc1)c1ccccc1 | 10.1038/s41467-023-40064-9 | ||
| DB00568 | 940 | 74 | None | -38 | 26 | Human | 4.8 | pAC50 | = | 4.8 | Functional | ChEMBL | 368 | 6 | 0 | 2 | 5.1 | c1ccc(cc1)/C=C/CN1CCN(CC1)C(c1ccccc1)c1ccccc1 | 10.1038/s41467-023-40064-9 | ||
| 2600 | 3779 | 74 | None | -223 | 32 | Human | 4.8 | pAC50 | = | 4.8 | Functional | ChEMBL | 471 | 8 | 2 | 3 | 6.4 | OC(c1ccc(cc1)C(C)(C)C)CCCN1CCC(CC1)C(c1ccccc1)(c1ccccc1)O | 10.1038/s41467-023-40064-9 | ||
| 2608 | 3779 | 74 | None | -223 | 32 | Human | 4.8 | pAC50 | = | 4.8 | Functional | ChEMBL | 471 | 8 | 2 | 3 | 6.4 | OC(c1ccc(cc1)C(C)(C)C)CCCN1CCC(CC1)C(c1ccccc1)(c1ccccc1)O | 10.1038/s41467-023-40064-9 | ||
| 5405 | 3779 | 74 | None | -223 | 32 | Human | 4.8 | pAC50 | = | 4.8 | Functional | ChEMBL | 471 | 8 | 2 | 3 | 6.4 | OC(c1ccc(cc1)C(C)(C)C)CCCN1CCC(CC1)C(c1ccccc1)(c1ccccc1)O | 10.1038/s41467-023-40064-9 | ||
| CHEMBL17157 | 3779 | 74 | None | -223 | 32 | Human | 4.8 | pAC50 | = | 4.8 | Functional | ChEMBL | 471 | 8 | 2 | 3 | 6.4 | OC(c1ccc(cc1)C(C)(C)C)CCCN1CCC(CC1)C(c1ccccc1)(c1ccccc1)O | 10.1038/s41467-023-40064-9 | ||
| DB00342 | 3779 | 74 | None | -223 | 32 | Human | 4.8 | pAC50 | = | 4.8 | Functional | ChEMBL | 471 | 8 | 2 | 3 | 6.4 | OC(c1ccc(cc1)C(C)(C)C)CCCN1CCC(CC1)C(c1ccccc1)(c1ccccc1)O | 10.1038/s41467-023-40064-9 | ||
| 2812 | 4779 | 101 | None | -165 | 44 | Human | 4.8 | pAC50 | = | 4.8 | Functional | ChEMBL | 344 | 4 | 0 | 2 | 5.4 | Clc1ccccc1C(c1ccccc1)(c1ccccc1)n1ccnc1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL104 | 4779 | 101 | None | -165 | 44 | Human | 4.8 | pAC50 | = | 4.8 | Functional | ChEMBL | 344 | 4 | 0 | 2 | 5.4 | Clc1ccccc1C(c1ccccc1)(c1ccccc1)n1ccnc1 | 10.1038/s41467-023-40064-9 | ||
| 54454 | 5258 | 88 | None | -6 | 14 | Human | 4.8 | pAC50 | = | 4.8 | Functional | ChEMBL | 418 | 6 | 1 | 5 | 4.6 | CCC(C)(C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@H]21 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1064 | 5258 | 88 | None | -6 | 14 | Human | 4.8 | pAC50 | = | 4.8 | Functional | ChEMBL | 418 | 6 | 1 | 5 | 4.6 | CCC(C)(C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@H]21 | 10.1038/s41467-023-40064-9 | ||
| 4260 | 52558 | 31 | None | -14 | 9 | Human | 4.8 | pAC50 | = | 4.8 | Functional | ChEMBL | 279 | 6 | 0 | 4 | 3.0 | CC(=O)Oc1cc(C(C)C)c(OCCN(C)C)cc1C | 10.1038/s41467-023-40064-9 | ||
| CHEMBL159226 | 52558 | 31 | None | -14 | 9 | Human | 4.8 | pAC50 | = | 4.8 | Functional | ChEMBL | 279 | 6 | 0 | 4 | 3.0 | CC(=O)Oc1cc(C(C)C)c(OCCN(C)C)cc1C | 10.1038/s41467-023-40064-9 | ||
| 4450 | 178228 | 69 | None | -24 | 11 | Human | 4.8 | pAC50 | = | 4.8 | Functional | ChEMBL | 253 | 1 | 0 | 2 | 3.2 | CN1CCOC(c2ccccc2)c2ccccc2C1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL465026 | 178228 | 69 | None | -24 | 11 | Human | 4.8 | pAC50 | = | 4.8 | Functional | ChEMBL | 253 | 1 | 0 | 2 | 3.2 | CN1CCOC(c2ccccc2)c2ccccc2C1 | 10.1038/s41467-023-40064-9 | ||
| 4746 | 204891 | 31 | None | -15 | 19 | Human | 4.8 | pAC50 | = | 4.8 | Functional | ChEMBL | 277 | 4 | 1 | 1 | 5.3 | C1CCC(C(CC2CCCCN2)C2CCCCC2)CC1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1334033 | 204891 | 31 | None | -15 | 19 | Human | 4.8 | pAC50 | = | 4.8 | Functional | ChEMBL | 277 | 4 | 1 | 1 | 5.3 | C1CCC(C(CC2CCCCN2)C2CCCCC2)CC1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL75880 | 204891 | 31 | None | -15 | 19 | Human | 4.8 | pAC50 | = | 4.8 | Functional | ChEMBL | 277 | 4 | 1 | 1 | 5.3 | C1CCC(C(CC2CCCCN2)C2CCCCC2)CC1 | 10.1038/s41467-023-40064-9 | ||
| 168871 | 89130 | 14 | None | -1 | 13 | Human | 7.8 | pAC50 | = | 7.8 | Functional | ChEMBL | 563 | 4 | 3 | 6 | 2.1 | CC(C)[C@H]1C(=O)N2CCC[C@H]2[C@]2(O)O[C@](NC(=O)[C@@H]3C[C@@H]4c5cccc6[nH]cc(c56)C[C@H]4N(C)C3)(C(C)C)C(=O)N12 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL2365712 | 89130 | 14 | None | -1 | 13 | Human | 7.8 | pAC50 | = | 7.8 | Functional | ChEMBL | 563 | 4 | 3 | 6 | 2.1 | CC(C)[C@H]1C(=O)N2CCC[C@H]2[C@]2(O)O[C@](NC(=O)[C@@H]3C[C@@H]4c5cccc6[nH]cc(c56)C[C@H]4N(C)C3)(C(C)C)C(=O)N12 | 10.1038/s41467-023-40064-9 | ||
| 2342 | 599 | 39 | None | -5 | 8 | Human | 5.8 | pAC50 | = | 5.8 | Functional | ChEMBL | 404 | 6 | 0 | 6 | 2.4 | CCN(C(=O)C1CN2CCc3c(C2CC1OC(=O)C)cc(c(c3)OC)OC)CC | 10.1038/s41467-023-40064-9 | ||
| 331 | 599 | 39 | None | -5 | 8 | Human | 5.8 | pAC50 | = | 5.8 | Functional | ChEMBL | 404 | 6 | 0 | 6 | 2.4 | CCN(C(=O)C1CN2CCc3c(C2CC1OC(=O)C)cc(c(c3)OC)OC)CC | 10.1038/s41467-023-40064-9 | ||
| 7124 | 599 | 39 | None | -5 | 8 | Human | 5.8 | pAC50 | = | 5.8 | Functional | ChEMBL | 404 | 6 | 0 | 6 | 2.4 | CCN(C(=O)C1CN2CCc3c(C2CC1OC(=O)C)cc(c(c3)OC)OC)CC | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1201250 | 599 | 39 | None | -5 | 8 | Human | 5.8 | pAC50 | = | 5.8 | Functional | ChEMBL | 404 | 6 | 0 | 6 | 2.4 | CCN(C(=O)C1CN2CCc3c(C2CC1OC(=O)C)cc(c(c3)OC)OC)CC | 10.1038/s41467-023-40064-9 | ||
| DB00767 | 599 | 39 | None | -5 | 8 | Human | 5.8 | pAC50 | = | 5.8 | Functional | ChEMBL | 404 | 6 | 0 | 6 | 2.4 | CCN(C(=O)C1CN2CCc3c(C2CC1OC(=O)C)cc(c(c3)OC)OC)CC | 10.1038/s41467-023-40064-9 | ||
| 150 | 2509 | 21 | None | -676 | 17 | Human | 5.8 | pAC50 | = | 5.8 | Functional | ChEMBL | 339 | 4 | 3 | 3 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CO | 10.1038/s41467-023-40064-9 | ||
| 1764 | 2509 | 21 | None | -676 | 17 | Human | 5.8 | pAC50 | = | 5.8 | Functional | ChEMBL | 339 | 4 | 3 | 3 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CO | 10.1038/s41467-023-40064-9 | ||
| 8226 | 2509 | 21 | None | -676 | 17 | Human | 5.8 | pAC50 | = | 5.8 | Functional | ChEMBL | 339 | 4 | 3 | 3 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CO | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1201356 | 2509 | 21 | None | -676 | 17 | Human | 5.8 | pAC50 | = | 5.8 | Functional | ChEMBL | 339 | 4 | 3 | 3 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CO | 10.1038/s41467-023-40064-9 | ||
| DB00353 | 2509 | 21 | None | -676 | 17 | Human | 5.8 | pAC50 | = | 5.8 | Functional | ChEMBL | 339 | 4 | 3 | 3 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CO | 10.1038/s41467-023-40064-9 | ||
| 24826799 | 10798 | 104 | None | -53 | 20 | Human | 4.8 | pAC50 | = | 4.8 | Functional | ChEMBL | 532 | 4 | 1 | 6 | 4.5 | Cc1ccc(C(=O)Nc2ccc(CN3CCN(C)CC3)c(C(F)(F)F)c2)cc1C#Cc1cnc2cccnn12 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1171837 | 10798 | 104 | None | -53 | 20 | Human | 4.8 | pAC50 | = | 4.8 | Functional | ChEMBL | 532 | 4 | 1 | 6 | 4.5 | Cc1ccc(C(=O)Nc2ccc(CN3CCN(C)CC3)c(C(F)(F)F)c2)cc1C#Cc1cnc2cccnn12 | 10.1038/s41467-023-40064-9 | ||
| 5039 | 63183 | 17 | None | -74 | 9 | Human | 4.8 | pAC50 | = | 4.8 | Functional | ChEMBL | 314 | 10 | 2 | 7 | 1.5 | CNC(=C[N+](=O)[O-])NCCSCc1ccc(CN(C)C)o1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1790041 | 63183 | 17 | None | -74 | 9 | Human | 4.8 | pAC50 | = | 4.8 | Functional | ChEMBL | 314 | 10 | 2 | 7 | 1.5 | CNC(=C[N+](=O)[O-])NCCSCc1ccc(CN(C)C)o1 | 10.1038/s41467-023-40064-9 | ||
| 49846579 | 106169 | 102 | None | -7 | 2 | Human | 4.8 | pAC50 | = | 4.8 | Functional | ChEMBL | 867 | 13 | 3 | 11 | 8.7 | CC1(C)CCC(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(NCC5CCOCC5)c([N+](=O)[O-])c4)c(Oc4cnc5[nH]ccc5c4)c3)CC2)=C(c2ccc(Cl)cc2)C1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL3137309 | 106169 | 102 | None | -7 | 2 | Human | 4.8 | pAC50 | = | 4.8 | Functional | ChEMBL | 867 | 13 | 3 | 11 | 8.7 | CC1(C)CCC(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(NCC5CCOCC5)c([N+](=O)[O-])c4)c(Oc4cnc5[nH]ccc5c4)c3)CC2)=C(c2ccc(Cl)cc2)C1 | 10.1038/s41467-023-40064-9 | ||
| 3947 | 206395 | 53 | None | -26 | 16 | Human | 4.8 | pAC50 | = | 4.8 | Functional | ChEMBL | 418 | 7 | 0 | 3 | 5.8 | CN(CCCN1c2ccccc2CCc2ccccc21)CC(=O)c1ccc(Cl)cc1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL87708 | 206395 | 53 | None | -26 | 16 | Human | 4.8 | pAC50 | = | 4.8 | Functional | ChEMBL | 418 | 7 | 0 | 3 | 5.8 | CN(CCCN1c2ccccc2CCc2ccccc21)CC(=O)c1ccc(Cl)cc1 | 10.1038/s41467-023-40064-9 | ||
| 30323 | 62485 | 57 | None | -8 | 21 | Human | 4.8 | pAC50 | = | 4.8 | Functional | ChEMBL | 527 | 4 | 5 | 11 | 1.0 | COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(C)=O)C[C@@H]3O[C@H]1C[C@H](N)[C@H](O)[C@H](C)O1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1563 | 62485 | 57 | None | -8 | 21 | Human | 4.8 | pAC50 | = | 4.8 | Functional | ChEMBL | 527 | 4 | 5 | 11 | 1.0 | COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(C)=O)C[C@@H]3O[C@H]1C[C@H](N)[C@H](O)[C@H](C)O1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL178 | 62485 | 57 | None | -8 | 21 | Human | 4.8 | pAC50 | = | 4.8 | Functional | ChEMBL | 527 | 4 | 5 | 11 | 1.0 | COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(C)=O)C[C@@H]3O[C@H]1C[C@H](N)[C@H](O)[C@H](C)O1 | 10.1038/s41467-023-40064-9 | ||
| 5329102 | 194726 | 86 | None | -16 | 37 | Human | 5.8 | pAC50 | = | 5.8 | Functional | ChEMBL | 398 | 7 | 3 | 3 | 3.3 | CCN(CC)CCNC(=O)c1c(C)[nH]c(/C=C2\C(=O)Nc3ccc(F)cc32)c1C | 10.1038/s41467-023-40064-9 | ||
| CHEMBL535 | 194726 | 86 | None | -16 | 37 | Human | 5.8 | pAC50 | = | 5.8 | Functional | ChEMBL | 398 | 7 | 3 | 3 | 3.3 | CCN(CC)CCNC(=O)c1c(C)[nH]c(/C=C2\C(=O)Nc3ccc(F)cc32)c1C | 10.1038/s41467-023-40064-9 | ||
| 124087 | 1389 | 114 | None | -407 | 27 | Human | 4.8 | pAC50 | = | 4.8 | Functional | ChEMBL | 310 | 0 | 1 | 2 | 4.0 | Clc1ccc2c(c1)CCc1c(C2=C2CCNCC2)nccc1 | 10.1038/s41467-023-40064-9 | ||
| 7157 | 1389 | 114 | None | -407 | 27 | Human | 4.8 | pAC50 | = | 4.8 | Functional | ChEMBL | 310 | 0 | 1 | 2 | 4.0 | Clc1ccc2c(c1)CCc1c(C2=C2CCNCC2)nccc1 | 10.1038/s41467-023-40064-9 | ||
| 814 | 1389 | 114 | None | -407 | 27 | Human | 4.8 | pAC50 | = | 4.8 | Functional | ChEMBL | 310 | 0 | 1 | 2 | 4.0 | Clc1ccc2c(c1)CCc1c(C2=C2CCNCC2)nccc1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1172 | 1389 | 114 | None | -407 | 27 | Human | 4.8 | pAC50 | = | 4.8 | Functional | ChEMBL | 310 | 0 | 1 | 2 | 4.0 | Clc1ccc2c(c1)CCc1c(C2=C2CCNCC2)nccc1 | 10.1038/s41467-023-40064-9 | ||
| DB00967 | 1389 | 114 | None | -407 | 27 | Human | 4.8 | pAC50 | = | 4.8 | Functional | ChEMBL | 310 | 0 | 1 | 2 | 4.0 | Clc1ccc2c(c1)CCc1c(C2=C2CCNCC2)nccc1 | 10.1038/s41467-023-40064-9 | ||
| 441074 | 19414 | 82 | None | -13 | 11 | Human | 4.8 | pAC50 | = | 4.8 | Functional | ChEMBL | 324 | 4 | 1 | 4 | 3.2 | C=C[C@H]1CN2CC[C@H]1C[C@@H]2[C@@H](O)c1ccnc2ccc(OC)cc12 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1294 | 19414 | 82 | None | -13 | 11 | Human | 4.8 | pAC50 | = | 4.8 | Functional | ChEMBL | 324 | 4 | 1 | 4 | 3.2 | C=C[C@H]1CN2CC[C@H]1C[C@@H]2[C@@H](O)c1ccnc2ccc(OC)cc12 | 10.1038/s41467-023-40064-9 | ||
| 3294 | 2006 | 111 | None | -18 | 23 | Human | 7.8 | pAC50 | = | 7.8 | Functional | ChEMBL | 426 | 8 | 0 | 6 | 4.8 | COc1cc(ccc1OCCCN1CCC(CC1)c1noc2c1ccc(c2)F)C(=O)C | 10.1038/s41467-023-40064-9 | ||
| 71360 | 2006 | 111 | None | -18 | 23 | Human | 7.8 | pAC50 | = | 7.8 | Functional | ChEMBL | 426 | 8 | 0 | 6 | 4.8 | COc1cc(ccc1OCCCN1CCC(CC1)c1noc2c1ccc(c2)F)C(=O)C | 10.1038/s41467-023-40064-9 | ||
| 87 | 2006 | 111 | None | -18 | 23 | Human | 7.8 | pAC50 | = | 7.8 | Functional | ChEMBL | 426 | 8 | 0 | 6 | 4.8 | COc1cc(ccc1OCCCN1CCC(CC1)c1noc2c1ccc(c2)F)C(=O)C | 10.1038/s41467-023-40064-9 | ||
| CHEMBL14376 | 2006 | 111 | None | -18 | 23 | Human | 7.8 | pAC50 | = | 7.8 | Functional | ChEMBL | 426 | 8 | 0 | 6 | 4.8 | COc1cc(ccc1OCCCN1CCC(CC1)c1noc2c1ccc(c2)F)C(=O)C | 10.1038/s41467-023-40064-9 | ||
| DB04946 | 2006 | 111 | None | -18 | 23 | Human | 7.8 | pAC50 | = | 7.8 | Functional | ChEMBL | 426 | 8 | 0 | 6 | 4.8 | COc1cc(ccc1OCCCN1CCC(CC1)c1noc2c1ccc(c2)F)C(=O)C | 10.1038/s41467-023-40064-9 | ||
| 2713 | 205271 | 82 | None | -3 | 27 | Human | 5.8 | pAC50 | = | 5.8 | Functional | ChEMBL | 504 | 9 | 10 | 4 | 4.2 | N=C(NCCCCCCNC(=N)NC(=N)Nc1ccc(Cl)cc1)NC(=N)Nc1ccc(Cl)cc1 | 10.1038/s41467-023-40064-9 | ||
| 5353524 | 205271 | 82 | None | -3 | 27 | Human | 5.8 | pAC50 | = | 5.8 | Functional | ChEMBL | 504 | 9 | 10 | 4 | 4.2 | N=C(NCCCCCCNC(=N)NC(=N)Nc1ccc(Cl)cc1)NC(=N)Nc1ccc(Cl)cc1 | 10.1038/s41467-023-40064-9 | ||
| 5360566 | 205271 | 82 | None | -3 | 27 | Human | 5.8 | pAC50 | = | 5.8 | Functional | ChEMBL | 504 | 9 | 10 | 4 | 4.2 | N=C(NCCCCCCNC(=N)NC(=N)Nc1ccc(Cl)cc1)NC(=N)Nc1ccc(Cl)cc1 | 10.1038/s41467-023-40064-9 | ||
| 88536661 | 205271 | 82 | None | -3 | 27 | Human | 5.8 | pAC50 | = | 5.8 | Functional | ChEMBL | 504 | 9 | 10 | 4 | 4.2 | N=C(NCCCCCCNC(=N)NC(=N)Nc1ccc(Cl)cc1)NC(=N)Nc1ccc(Cl)cc1 | 10.1038/s41467-023-40064-9 | ||
| 9552079 | 205271 | 82 | None | -3 | 27 | Human | 5.8 | pAC50 | = | 5.8 | Functional | ChEMBL | 504 | 9 | 10 | 4 | 4.2 | N=C(NCCCCCCNC(=N)NC(=N)Nc1ccc(Cl)cc1)NC(=N)Nc1ccc(Cl)cc1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1330113 | 205271 | 82 | None | -3 | 27 | Human | 5.8 | pAC50 | = | 5.8 | Functional | ChEMBL | 504 | 9 | 10 | 4 | 4.2 | N=C(NCCCCCCNC(=N)NC(=N)Nc1ccc(Cl)cc1)NC(=N)Nc1ccc(Cl)cc1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL790 | 205271 | 82 | None | -3 | 27 | Human | 5.8 | pAC50 | = | 5.8 | Functional | ChEMBL | 504 | 9 | 10 | 4 | 4.2 | N=C(NCCCCCCNC(=N)NC(=N)Nc1ccc(Cl)cc1)NC(=N)Nc1ccc(Cl)cc1 | 10.1038/s41467-023-40064-9 | ||
| 103 | 4153 | 61 | None | -316 | 22 | Human | 5.7 | pAC50 | = | 5.7 | Functional | ChEMBL | 331 | 4 | 0 | 3 | 4.9 | CN(CCOC1=Cc2ccccc2Sc2c1cc(Cl)cc2)C | 10.1038/s41467-023-40064-9 | ||
| 2875 | 4153 | 61 | None | -316 | 22 | Human | 5.7 | pAC50 | = | 5.7 | Functional | ChEMBL | 331 | 4 | 0 | 3 | 4.9 | CN(CCOC1=Cc2ccccc2Sc2c1cc(Cl)cc2)C | 10.1038/s41467-023-40064-9 | ||
| 5736 | 4153 | 61 | None | -316 | 22 | Human | 5.7 | pAC50 | = | 5.7 | Functional | ChEMBL | 331 | 4 | 0 | 3 | 4.9 | CN(CCOC1=Cc2ccccc2Sc2c1cc(Cl)cc2)C | 10.1038/s41467-023-40064-9 | ||
| CHEMBL285802 | 4153 | 61 | None | -316 | 22 | Human | 5.7 | pAC50 | = | 5.7 | Functional | ChEMBL | 331 | 4 | 0 | 3 | 4.9 | CN(CCOC1=Cc2ccccc2Sc2c1cc(Cl)cc2)C | 10.1038/s41467-023-40064-9 | ||
| DB09225 | 4153 | 61 | None | -316 | 22 | Human | 5.7 | pAC50 | = | 5.7 | Functional | ChEMBL | 331 | 4 | 0 | 3 | 4.9 | CN(CCOC1=Cc2ccccc2Sc2c1cc(Cl)cc2)C | 10.1038/s41467-023-40064-9 | ||
| 1201549 | 597 | 24 | None | -426 | 26 | Human | 5.7 | pAC50 | = | 5.7 | Functional | ChEMBL | 307 | 4 | 0 | 2 | 4.4 | CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(c1ccccc1)c1ccccc1 | 10.1038/s41467-023-40064-9 | ||
| 333 | 597 | 24 | None | -426 | 26 | Human | 5.7 | pAC50 | = | 5.7 | Functional | ChEMBL | 307 | 4 | 0 | 2 | 4.4 | CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(c1ccccc1)c1ccccc1 | 10.1038/s41467-023-40064-9 | ||
| 7601 | 597 | 24 | None | -426 | 26 | Human | 5.7 | pAC50 | = | 5.7 | Functional | ChEMBL | 307 | 4 | 0 | 2 | 4.4 | CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(c1ccccc1)c1ccccc1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1201203 | 597 | 24 | None | -426 | 26 | Human | 5.7 | pAC50 | = | 5.7 | Functional | ChEMBL | 307 | 4 | 0 | 2 | 4.4 | CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(c1ccccc1)c1ccccc1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL438151 | 597 | 24 | None | -426 | 26 | Human | 5.7 | pAC50 | = | 5.7 | Functional | ChEMBL | 307 | 4 | 0 | 2 | 4.4 | CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(c1ccccc1)c1ccccc1 | 10.1038/s41467-023-40064-9 | ||
| DB00245 | 597 | 24 | None | -426 | 26 | Human | 5.7 | pAC50 | = | 5.7 | Functional | ChEMBL | 307 | 4 | 0 | 2 | 4.4 | CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(c1ccccc1)c1ccccc1 | 10.1038/s41467-023-40064-9 | ||
| 12574 | 2605 | 88 | None | -26 | 8 | Human | 4.7 | pAC50 | = | 4.7 | Functional | ChEMBL | 241 | 2 | 2 | 6 | 0.8 | CC1=NC(=C(C(=N1)Cl)NC2=NCCN2)OC | 10.1038/s41467-023-40064-9 | ||
| 4810 | 2605 | 88 | None | -26 | 8 | Human | 4.7 | pAC50 | = | 4.7 | Functional | ChEMBL | 241 | 2 | 2 | 6 | 0.8 | CC1=NC(=C(C(=N1)Cl)NC2=NCCN2)OC | 10.1038/s41467-023-40064-9 | ||
| CHEMBL19236 | 2605 | 88 | None | -26 | 8 | Human | 4.7 | pAC50 | = | 4.7 | Functional | ChEMBL | 241 | 2 | 2 | 6 | 0.8 | CC1=NC(=C(C(=N1)Cl)NC2=NCCN2)OC | 10.1038/s41467-023-40064-9 | ||
| DB09242 | 2605 | 88 | None | -26 | 8 | Human | 4.7 | pAC50 | = | 4.7 | Functional | ChEMBL | 241 | 2 | 2 | 6 | 0.8 | CC1=NC(=C(C(=N1)Cl)NC2=NCCN2)OC | 10.1038/s41467-023-40064-9 | ||
| 5318 | 15576 | 49 | None | -5 | 18 | Human | 4.7 | pAC50 | = | 4.7 | Functional | ChEMBL | 396 | 6 | 0 | 3 | 6.5 | Clc1ccc(CSC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1200348 | 15576 | 49 | None | -5 | 18 | Human | 4.7 | pAC50 | = | 4.7 | Functional | ChEMBL | 396 | 6 | 0 | 3 | 6.5 | Clc1ccc(CSC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1221 | 15576 | 49 | None | -5 | 18 | Human | 4.7 | pAC50 | = | 4.7 | Functional | ChEMBL | 396 | 6 | 0 | 3 | 6.5 | Clc1ccc(CSC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1 | 10.1038/s41467-023-40064-9 | ||
| 3062316 | 33575 | 121 | None | -3 | 10 | Human | 4.7 | pAC50 | = | 4.7 | Functional | ChEMBL | 487 | 7 | 3 | 9 | 3.3 | Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)cc(N2CCN(CCO)CC2)n1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1421 | 33575 | 121 | None | -3 | 10 | Human | 4.7 | pAC50 | = | 4.7 | Functional | ChEMBL | 487 | 7 | 3 | 9 | 3.3 | Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)cc(N2CCN(CCO)CC2)n1 | 10.1038/s41467-023-40064-9 | ||
| 16363 | 596 | 53 | None | -363 | 21 | Human | 5.7 | pAC50 | = | 5.7 | Functional | ChEMBL | 381 | 6 | 1 | 4 | 3.8 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)n1c(=O)[nH]c2c1cccc2 | 10.1038/s41467-023-40064-9 | ||
| 312 | 596 | 53 | None | -363 | 21 | Human | 5.7 | pAC50 | = | 5.7 | Functional | ChEMBL | 381 | 6 | 1 | 4 | 3.8 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)n1c(=O)[nH]c2c1cccc2 | 10.1038/s41467-023-40064-9 | ||
| 9215 | 596 | 53 | None | -363 | 21 | Human | 5.7 | pAC50 | = | 5.7 | Functional | ChEMBL | 381 | 6 | 1 | 4 | 3.8 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)n1c(=O)[nH]c2c1cccc2 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL297302 | 596 | 53 | None | -363 | 21 | Human | 5.7 | pAC50 | = | 5.7 | Functional | ChEMBL | 381 | 6 | 1 | 4 | 3.8 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)n1c(=O)[nH]c2c1cccc2 | 10.1038/s41467-023-40064-9 | ||
| DB12867 | 596 | 53 | None | -363 | 21 | Human | 5.7 | pAC50 | = | 5.7 | Functional | ChEMBL | 381 | 6 | 1 | 4 | 3.8 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)n1c(=O)[nH]c2c1cccc2 | 10.1038/s41467-023-40064-9 | ||
| 135398737 | 958 | 93 | None | -6 | 43 | Human | 7.7 | pAC50 | = | 7.7 | Functional | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 10.1038/s41467-023-40064-9 | ||
| 38 | 958 | 93 | None | -6 | 43 | Human | 7.7 | pAC50 | = | 7.7 | Functional | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 10.1038/s41467-023-40064-9 | ||
| 722 | 958 | 93 | None | -6 | 43 | Human | 7.7 | pAC50 | = | 7.7 | Functional | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL42 | 958 | 93 | None | -6 | 43 | Human | 7.7 | pAC50 | = | 7.7 | Functional | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 10.1038/s41467-023-40064-9 | ||
| DB00363 | 958 | 93 | None | -6 | 43 | Human | 7.7 | pAC50 | = | 7.7 | Functional | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 10.1038/s41467-023-40064-9 | ||
| 4418 | 34222 | 85 | None | -3 | 18 | Human | 6.7 | pAC50 | = | 6.7 | Functional | ChEMBL | 392 | 7 | 1 | 5 | 3.4 | COc1ccccc1N1CCN(CC(O)COc2cccc3ccccc23)CC1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL142635 | 34222 | 85 | None | -3 | 18 | Human | 6.7 | pAC50 | = | 6.7 | Functional | ChEMBL | 392 | 7 | 1 | 5 | 3.4 | COc1ccccc1N1CCN(CC(O)COc2cccc3ccccc23)CC1 | 10.1038/s41467-023-40064-9 | ||
| 118422671 | 2757 | 65 | None | -660 | 23 | Human | 5.7 | pAC50 | = | 5.7 | Functional | ChEMBL | 405 | 6 | 3 | 5 | 2.4 | OC(C1CCc2c(O1)ccc(c2)F)CNCC(C1CCc2c(O1)ccc(c2)F)O | 10.1038/s41467-023-40064-9 | ||
| 1887 | 2757 | 65 | None | -660 | 23 | Human | 5.7 | pAC50 | = | 5.7 | Functional | ChEMBL | 405 | 6 | 3 | 5 | 2.4 | OC(C1CCc2c(O1)ccc(c2)F)CNCC(C1CCc2c(O1)ccc(c2)F)O | 10.1038/s41467-023-40064-9 | ||
| 71301 | 2757 | 65 | None | -660 | 23 | Human | 5.7 | pAC50 | = | 5.7 | Functional | ChEMBL | 405 | 6 | 3 | 5 | 2.4 | OC(C1CCc2c(O1)ccc(c2)F)CNCC(C1CCc2c(O1)ccc(c2)F)O | 10.1038/s41467-023-40064-9 | ||
| 7246 | 2757 | 65 | None | -660 | 23 | Human | 5.7 | pAC50 | = | 5.7 | Functional | ChEMBL | 405 | 6 | 3 | 5 | 2.4 | OC(C1CCc2c(O1)ccc(c2)F)CNCC(C1CCc2c(O1)ccc(c2)F)O | 10.1038/s41467-023-40064-9 | ||
| CHEMBL434394 | 2757 | 65 | None | -660 | 23 | Human | 5.7 | pAC50 | = | 5.7 | Functional | ChEMBL | 405 | 6 | 3 | 5 | 2.4 | OC(C1CCc2c(O1)ccc(c2)F)CNCC(C1CCc2c(O1)ccc(c2)F)O | 10.1038/s41467-023-40064-9 | ||
| DB04861 | 2757 | 65 | None | -660 | 23 | Human | 5.7 | pAC50 | = | 5.7 | Functional | ChEMBL | 405 | 6 | 3 | 5 | 2.4 | OC(C1CCc2c(O1)ccc(c2)F)CNCC(C1CCc2c(O1)ccc(c2)F)O | 10.1038/s41467-023-40064-9 | ||
| 214 | 3860 | 58 | None | -134 | 28 | Human | 5.7 | pAC50 | = | 5.7 | Functional | ChEMBL | 407 | 4 | 0 | 4 | 4.9 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | 10.1038/s41467-023-40064-9 | ||
| 2740 | 3860 | 58 | None | -134 | 28 | Human | 5.7 | pAC50 | = | 5.7 | Functional | ChEMBL | 407 | 4 | 0 | 4 | 4.9 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | 10.1038/s41467-023-40064-9 | ||
| 5566 | 3860 | 58 | None | -134 | 28 | Human | 5.7 | pAC50 | = | 5.7 | Functional | ChEMBL | 407 | 4 | 0 | 4 | 4.9 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | 10.1038/s41467-023-40064-9 | ||
| 66064 | 3860 | 58 | None | -134 | 28 | Human | 5.7 | pAC50 | = | 5.7 | Functional | ChEMBL | 407 | 4 | 0 | 4 | 4.9 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | 10.1038/s41467-023-40064-9 | ||
| CHEMBL422 | 3860 | 58 | None | -134 | 28 | Human | 5.7 | pAC50 | = | 5.7 | Functional | ChEMBL | 407 | 4 | 0 | 4 | 4.9 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | 10.1038/s41467-023-40064-9 | ||
| DB00831 | 3860 | 58 | None | -134 | 28 | Human | 5.7 | pAC50 | = | 5.7 | Functional | ChEMBL | 407 | 4 | 0 | 4 | 4.9 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | 10.1038/s41467-023-40064-9 | ||
| 2335 | 11848 | 22 | None | -14 | 34 | Human | 5.7 | pAC50 | = | 5.7 | Functional | ChEMBL | 412 | 11 | 0 | 2 | 6.1 | CC(C)(C)CC(C)(C)c1ccc(OCCOCC[N+](C)(C)Cc2ccccc2)cc1 | 10.1038/s41467-023-40064-9 | ||
| 8478 | 11848 | 22 | None | -14 | 34 | Human | 5.7 | pAC50 | = | 5.7 | Functional | ChEMBL | 412 | 11 | 0 | 2 | 6.1 | CC(C)(C)CC(C)(C)c1ccc(OCCOCC[N+](C)(C)Cc2ccccc2)cc1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1182210 | 11848 | 22 | None | -14 | 34 | Human | 5.7 | pAC50 | = | 5.7 | Functional | ChEMBL | 412 | 11 | 0 | 2 | 6.1 | CC(C)(C)CC(C)(C)c1ccc(OCCOCC[N+](C)(C)Cc2ccccc2)cc1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL221753 | 11848 | 22 | None | -14 | 34 | Human | 5.7 | pAC50 | = | 5.7 | Functional | ChEMBL | 412 | 11 | 0 | 2 | 6.1 | CC(C)(C)CC(C)(C)c1ccc(OCCOCC[N+](C)(C)Cc2ccccc2)cc1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL2103737 | 78140 | 0 | None | -3 | 8 | Human | 4.7 | pAC50 | = | 4.7 | Functional | ChEMBL | None | None | None | None | 10.1038/s41467-023-40064-9 | ||||
| 1830 | 2590 | 44 | None | -58 | 11 | Human | 5.7 | pAC50 | = | 5.7 | Functional | ChEMBL | 276 | 3 | 1 | 3 | 2.0 | CCc1c(C)[nH]c2c1C(=O)C(CC2)CN1CCOCC1 | 10.1038/s41467-023-40064-9 | ||
| 207 | 2590 | 44 | None | -58 | 11 | Human | 5.7 | pAC50 | = | 5.7 | Functional | ChEMBL | 276 | 3 | 1 | 3 | 2.0 | CCc1c(C)[nH]c2c1C(=O)C(CC2)CN1CCOCC1 | 10.1038/s41467-023-40064-9 | ||
| 23897 | 2590 | 44 | None | -58 | 11 | Human | 5.7 | pAC50 | = | 5.7 | Functional | ChEMBL | 276 | 3 | 1 | 3 | 2.0 | CCc1c(C)[nH]c2c1C(=O)C(CC2)CN1CCOCC1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL460 | 2590 | 44 | None | -58 | 11 | Human | 5.7 | pAC50 | = | 5.7 | Functional | ChEMBL | 276 | 3 | 1 | 3 | 2.0 | CCc1c(C)[nH]c2c1C(=O)C(CC2)CN1CCOCC1 | 10.1038/s41467-023-40064-9 | ||
| DB01618 | 2590 | 44 | None | -58 | 11 | Human | 5.7 | pAC50 | = | 5.7 | Functional | ChEMBL | 276 | 3 | 1 | 3 | 2.0 | CCc1c(C)[nH]c2c1C(=O)C(CC2)CN1CCOCC1 | 10.1038/s41467-023-40064-9 | ||
| 2393 | 3334 | 82 | None | -3981 | 9 | Human | 4.7 | pAC50 | = | 4.7 | Functional | ChEMBL | 269 | 5 | 1 | 4 | 1.9 | CN(CCc1c[nH]c2c1cc(cc2)Cn1cncn1)C | 10.1038/s41467-023-40064-9 | ||
| 5078 | 3334 | 82 | None | -3981 | 9 | Human | 4.7 | pAC50 | = | 4.7 | Functional | ChEMBL | 269 | 5 | 1 | 4 | 1.9 | CN(CCc1c[nH]c2c1cc(cc2)Cn1cncn1)C | 10.1038/s41467-023-40064-9 | ||
| 51 | 3334 | 82 | None | -3981 | 9 | Human | 4.7 | pAC50 | = | 4.7 | Functional | ChEMBL | 269 | 5 | 1 | 4 | 1.9 | CN(CCc1c[nH]c2c1cc(cc2)Cn1cncn1)C | 10.1038/s41467-023-40064-9 | ||
| CHEMBL905 | 3334 | 82 | None | -3981 | 9 | Human | 4.7 | pAC50 | = | 4.7 | Functional | ChEMBL | 269 | 5 | 1 | 4 | 1.9 | CN(CCc1c[nH]c2c1cc(cc2)Cn1cncn1)C | 10.1038/s41467-023-40064-9 | ||
| DB00953 | 3334 | 82 | None | -3981 | 9 | Human | 4.7 | pAC50 | = | 4.7 | Functional | ChEMBL | 269 | 5 | 1 | 4 | 1.9 | CN(CCc1c[nH]c2c1cc(cc2)Cn1cncn1)C | 10.1038/s41467-023-40064-9 | ||
| 3236 | 67609 | 43 | None | -1 | 7 | Human | 5.7 | pAC50 | = | 5.7 | Functional | ChEMBL | 259 | 5 | 0 | 2 | 3.6 | CCc1ccc(C(=O)C(C)CN2CCCCC2)cc1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1902981 | 67609 | 43 | None | -1 | 7 | Human | 5.7 | pAC50 | = | 5.7 | Functional | ChEMBL | 259 | 5 | 0 | 2 | 3.6 | CCc1ccc(C(=O)C(C)CN2CCCCC2)cc1 | 10.1038/s41467-023-40064-9 | ||
| 1427 | 2013 | 54 | None | -2691 | 30 | Human | 5.7 | pAC50 | = | 5.7 | Functional | ChEMBL | 280 | 4 | 0 | 2 | 3.9 | CN(CCCN1c2ccccc2CCc2c1cccc2)C | 10.1038/s41467-023-40064-9 | ||
| 357 | 2013 | 54 | None | -2691 | 30 | Human | 5.7 | pAC50 | = | 5.7 | Functional | ChEMBL | 280 | 4 | 0 | 2 | 3.9 | CN(CCCN1c2ccccc2CCc2c1cccc2)C | 10.1038/s41467-023-40064-9 | ||
| 3696 | 2013 | 54 | None | -2691 | 30 | Human | 5.7 | pAC50 | = | 5.7 | Functional | ChEMBL | 280 | 4 | 0 | 2 | 3.9 | CN(CCCN1c2ccccc2CCc2c1cccc2)C | 10.1038/s41467-023-40064-9 | ||
| CHEMBL11 | 2013 | 54 | None | -2691 | 30 | Human | 5.7 | pAC50 | = | 5.7 | Functional | ChEMBL | 280 | 4 | 0 | 2 | 3.9 | CN(CCCN1c2ccccc2CCc2c1cccc2)C | 10.1038/s41467-023-40064-9 | ||
| DB00458 | 2013 | 54 | None | -2691 | 30 | Human | 5.7 | pAC50 | = | 5.7 | Functional | ChEMBL | 280 | 4 | 0 | 2 | 3.9 | CN(CCCN1c2ccccc2CCc2c1cccc2)C | 10.1038/s41467-023-40064-9 | ||
| 2136 | 3095 | 30 | None | -41 | 21 | Human | 5.7 | pAC50 | = | 5.7 | Functional | ChEMBL | 303 | 8 | 0 | 2 | 4.2 | ClCCN(C(COc1ccccc1)C)Cc1ccccc1 | 10.1038/s41467-023-40064-9 | ||
| 4768 | 3095 | 30 | None | -41 | 21 | Human | 5.7 | pAC50 | = | 5.7 | Functional | ChEMBL | 303 | 8 | 0 | 2 | 4.2 | ClCCN(C(COc1ccccc1)C)Cc1ccccc1 | 10.1038/s41467-023-40064-9 | ||
| 7268 | 3095 | 30 | None | -41 | 21 | Human | 5.7 | pAC50 | = | 5.7 | Functional | ChEMBL | 303 | 8 | 0 | 2 | 4.2 | ClCCN(C(COc1ccccc1)C)Cc1ccccc1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL753 | 3095 | 30 | None | -41 | 21 | Human | 5.7 | pAC50 | = | 5.7 | Functional | ChEMBL | 303 | 8 | 0 | 2 | 4.2 | ClCCN(C(COc1ccccc1)C)Cc1ccccc1 | 10.1038/s41467-023-40064-9 | ||
| DB00925 | 3095 | 30 | None | -41 | 21 | Human | 5.7 | pAC50 | = | 5.7 | Functional | ChEMBL | 303 | 8 | 0 | 2 | 4.2 | ClCCN(C(COc1ccccc1)C)Cc1ccccc1 | 10.1038/s41467-023-40064-9 | ||
| 2220 | 3134 | 82 | None | -758 | 17 | Human | 5.7 | pAC50 | = | 5.7 | Functional | ChEMBL | 295 | 0 | 0 | 2 | 4.4 | CN1CCC(=C2c3ccsc3CCc3c2cccc3)CC1 | 10.1038/s41467-023-40064-9 | ||
| 27400 | 3134 | 82 | None | -758 | 17 | Human | 5.7 | pAC50 | = | 5.7 | Functional | ChEMBL | 295 | 0 | 0 | 2 | 4.4 | CN1CCC(=C2c3ccsc3CCc3c2cccc3)CC1 | 10.1038/s41467-023-40064-9 | ||
| 93 | 3134 | 82 | None | -758 | 17 | Human | 5.7 | pAC50 | = | 5.7 | Functional | ChEMBL | 295 | 0 | 0 | 2 | 4.4 | CN1CCC(=C2c3ccsc3CCc3c2cccc3)CC1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL294951 | 3134 | 82 | None | -758 | 17 | Human | 5.7 | pAC50 | = | 5.7 | Functional | ChEMBL | 295 | 0 | 0 | 2 | 4.4 | CN1CCC(=C2c3ccsc3CCc3c2cccc3)CC1 | 10.1038/s41467-023-40064-9 | ||
| DB06153 | 3134 | 82 | None | -758 | 17 | Human | 5.7 | pAC50 | = | 5.7 | Functional | ChEMBL | 295 | 0 | 0 | 2 | 4.4 | CN1CCC(=C2c3ccsc3CCc3c2cccc3)CC1 | 10.1038/s41467-023-40064-9 | ||
| 4031 | 99313 | 28 | None | -3 | 12 | Human | 5.7 | pAC50 | = | 5.7 | Functional | ChEMBL | 429 | 13 | 0 | 6 | 4.6 | CCN(CCCCOC(=O)c1ccc(OC)c(OC)c1)C(C)Cc1ccc(OC)cc1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL282121 | 99313 | 28 | None | -3 | 12 | Human | 5.7 | pAC50 | = | 5.7 | Functional | ChEMBL | 429 | 13 | 0 | 6 | 4.6 | CCN(CCCCOC(=O)c1ccc(OC)c(OC)c1)C(C)Cc1ccc(OC)cc1 | 10.1038/s41467-023-40064-9 | ||
| 16351 | 102730 | 47 | None | -338 | 17 | Human | 5.7 | pAC50 | = | 5.7 | Functional | ChEMBL | 343 | 0 | 0 | 4 | 4.1 | CN1CCN(C2=Nc3ccccc3Sc3ccc(Cl)cc32)CC1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL304902 | 102730 | 47 | None | -338 | 17 | Human | 5.7 | pAC50 | = | 5.7 | Functional | ChEMBL | 343 | 0 | 0 | 4 | 4.1 | CN1CCN(C2=Nc3ccccc3Sc3ccc(Cl)cc32)CC1 | 10.1038/s41467-023-40064-9 | ||
| 2780 | 110529 | 36 | None | -218 | 11 | Human | 5.7 | pAC50 | = | 5.7 | Functional | ChEMBL | 373 | 5 | 2 | 4 | 3.3 | COc1cc(N)c(Cl)cc1C(=O)NC1CCN(Cc2ccccc2)CC1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL325109 | 110529 | 36 | None | -218 | 11 | Human | 5.7 | pAC50 | = | 5.7 | Functional | ChEMBL | 373 | 5 | 2 | 4 | 3.3 | COc1cc(N)c(Cl)cc1C(=O)NC1CCN(Cc2ccccc2)CC1 | 10.1038/s41467-023-40064-9 | ||
| 11511120 | 78394 | 86 | None | -2 | 5 | Human | 4.7 | pAC50 | = | 4.7 | Functional | ChEMBL | 469 | 7 | 2 | 6 | 5.2 | COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)/C=C/CN1CCCCC1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL2110732 | 78394 | 86 | None | -2 | 5 | Human | 4.7 | pAC50 | = | 4.7 | Functional | ChEMBL | 469 | 7 | 2 | 6 | 5.2 | COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)/C=C/CN1CCCCC1 | 10.1038/s41467-023-40064-9 | ||
| 107771 | 120248 | 49 | None | -1 | 9 | Human | 4.7 | pAC50 | = | 4.7 | Functional | ChEMBL | 517 | 7 | 2 | 7 | 6.1 | COc1ccc2nc3cc(Cl)ccc3c(Nc3cc(CN4CCCC4)c(O)c(CN4CCCC4)c3)c2n1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL35228 | 120248 | 49 | None | -1 | 9 | Human | 4.7 | pAC50 | = | 4.7 | Functional | ChEMBL | 517 | 7 | 2 | 7 | 6.1 | COc1ccc2nc3cc(Cl)ccc3c(Nc3cc(CN4CCCC4)c(O)c(CN4CCCC4)c3)c2n1 | 10.1038/s41467-023-40064-9 | ||
| 3052776 | 206556 | 90 | None | -2 | 3 | Human | 4.7 | pAC50 | = | 4.7 | Functional | ChEMBL | 171 | 2 | 1 | 1 | 1.9 | C#CCN[C@@H]1CCc2ccccc21 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL887 | 206556 | 90 | None | -2 | 3 | Human | 4.7 | pAC50 | = | 4.7 | Functional | ChEMBL | 171 | 2 | 1 | 1 | 1.9 | C#CCN[C@@H]1CCc2ccccc21 | 10.1038/s41467-023-40064-9 | ||
| 65709 | 59881 | 39 | None | -8 | 13 | Human | 4.7 | pAC50 | = | 4.7 | Functional | ChEMBL | 365 | 8 | 0 | 5 | 3.3 | CCN(CC)CCn1c(=O)c(Cc2ccc(OC)cc2)nc2ccccc21 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1729803 | 59881 | 39 | None | -8 | 13 | Human | 4.7 | pAC50 | = | 4.7 | Functional | ChEMBL | 365 | 8 | 0 | 5 | 3.3 | CCN(CC)CCn1c(=O)c(Cc2ccc(OC)cc2)nc2ccccc21 | 10.1038/s41467-023-40064-9 | ||
| 25181577 | 78219 | 56 | None | -7 | 8 | Human | 4.7 | pAC50 | = | 4.7 | Functional | ChEMBL | 574 | 9 | 2 | 9 | 5.0 | CCOC(=O)[C@@H](N)Cc1ccc(-c2cc(O[C@H](c3ccc(Cl)cc3-n3ccc(C)n3)C(F)(F)F)nc(N)n2)cc1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL2105695 | 78219 | 56 | None | -7 | 8 | Human | 4.7 | pAC50 | = | 4.7 | Functional | ChEMBL | 574 | 9 | 2 | 9 | 5.0 | CCOC(=O)[C@@H](N)Cc1ccc(-c2cc(O[C@H](c3ccc(Cl)cc3-n3ccc(C)n3)C(F)(F)F)nc(N)n2)cc1 | 10.1038/s41467-023-40064-9 | ||
| 2435 | 722 | 100 | None | -7 | 10 | Human | 5.7 | pAC50 | = | 5.7 | Functional | ChEMBL | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | 10.1038/s41467-023-40064-9 | ||
| 395 | 722 | 100 | None | -7 | 10 | Human | 5.7 | pAC50 | = | 5.7 | Functional | ChEMBL | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | 10.1038/s41467-023-40064-9 | ||
| 520 | 722 | 100 | None | -7 | 10 | Human | 5.7 | pAC50 | = | 5.7 | Functional | ChEMBL | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | 10.1038/s41467-023-40064-9 | ||
| 5386 | 722 | 100 | None | -7 | 10 | Human | 5.7 | pAC50 | = | 5.7 | Functional | ChEMBL | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL844 | 722 | 100 | None | -7 | 10 | Human | 5.7 | pAC50 | = | 5.7 | Functional | ChEMBL | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | 10.1038/s41467-023-40064-9 | ||
| DB00484 | 722 | 100 | None | -7 | 10 | Human | 5.7 | pAC50 | = | 5.7 | Functional | ChEMBL | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | 10.1038/s41467-023-40064-9 | ||
| 5440 | 28724 | 37 | None | -707 | 16 | Human | 5.7 | pAC50 | = | 5.7 | Functional | ChEMBL | 399 | 6 | 0 | 5 | 5.0 | CCSc1ccc2c(c1)N(CCCN1CCN(C)CC1)c1ccccc1S2 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1378 | 28724 | 37 | None | -707 | 16 | Human | 5.7 | pAC50 | = | 5.7 | Functional | ChEMBL | 399 | 6 | 0 | 5 | 5.0 | CCSc1ccc2c(c1)N(CCCN1CCN(C)CC1)c1ccccc1S2 | 10.1038/s41467-023-40064-9 | ||
| 154257 | 178619 | 67 | None | 4 | 19 | Human | 6.7 | pAC50 | = | 6.7 | Functional | ChEMBL | 470 | 7 | 2 | 5 | 6.3 | Cc1c(-c2ccc(O)cc2)n(Cc2ccc(OCCN3CCCCCC3)cc2)c2ccc(O)cc12 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL46740 | 178619 | 67 | None | 4 | 19 | Human | 6.7 | pAC50 | = | 6.7 | Functional | ChEMBL | 470 | 7 | 2 | 5 | 6.3 | Cc1c(-c2ccc(O)cc2)n(Cc2ccc(OCCN3CCCCCC3)cc2)c2ccc(O)cc12 | 10.1038/s41467-023-40064-9 | ||
| 10219 | 188796 | 37 | None | -1 | 10 | Human | 6.6 | pAC50 | = | 6.6 | Functional | ChEMBL | 480 | 7 | 1 | 6 | 4.9 | CC[C@H]1CN2CCc3cc(OC)c(OC)cc3[C@@H]2C[C@@H]1C[C@H]1NCCc2cc(OC)c(OC)cc21 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL493439 | 188796 | 37 | None | -1 | 10 | Human | 6.6 | pAC50 | = | 6.6 | Functional | ChEMBL | 480 | 7 | 1 | 6 | 4.9 | CC[C@H]1CN2CCc3cc(OC)c(OC)cc3[C@@H]2C[C@@H]1C[C@H]1NCCc2cc(OC)c(OC)cc21 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL50588 | 188796 | 37 | None | -1 | 10 | Human | 6.6 | pAC50 | = | 6.6 | Functional | ChEMBL | 480 | 7 | 1 | 6 | 4.9 | CC[C@H]1CN2CCc3cc(OC)c(OC)cc3[C@@H]2C[C@@H]1C[C@H]1NCCc2cc(OC)c(OC)cc21 | 10.1038/s41467-023-40064-9 | ||
| 1400 | 1957 | 70 | None | -17 | 16 | Human | 5.6 | pAC50 | = | 5.6 | Functional | ChEMBL | 374 | 8 | 1 | 4 | 3.1 | OCCOCCN1CCN(CC1)C(c1ccc(cc1)Cl)c1ccccc1 | 10.1038/s41467-023-40064-9 | ||
| 3658 | 1957 | 70 | None | -17 | 16 | Human | 5.6 | pAC50 | = | 5.6 | Functional | ChEMBL | 374 | 8 | 1 | 4 | 3.1 | OCCOCCN1CCN(CC1)C(c1ccc(cc1)Cl)c1ccccc1 | 10.1038/s41467-023-40064-9 | ||
| 7199 | 1957 | 70 | None | -17 | 16 | Human | 5.6 | pAC50 | = | 5.6 | Functional | ChEMBL | 374 | 8 | 1 | 4 | 3.1 | OCCOCCN1CCN(CC1)C(c1ccc(cc1)Cl)c1ccccc1 | 10.1038/s41467-023-40064-9 | ||
| 91513 | 1957 | 70 | None | -17 | 16 | Human | 5.6 | pAC50 | = | 5.6 | Functional | ChEMBL | 374 | 8 | 1 | 4 | 3.1 | OCCOCCN1CCN(CC1)C(c1ccc(cc1)Cl)c1ccccc1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL896 | 1957 | 70 | None | -17 | 16 | Human | 5.6 | pAC50 | = | 5.6 | Functional | ChEMBL | 374 | 8 | 1 | 4 | 3.1 | OCCOCCN1CCN(CC1)C(c1ccc(cc1)Cl)c1ccccc1 | 10.1038/s41467-023-40064-9 | ||
| DB00557 | 1957 | 70 | None | -17 | 16 | Human | 5.6 | pAC50 | = | 5.6 | Functional | ChEMBL | 374 | 8 | 1 | 4 | 3.1 | OCCOCCN1CCN(CC1)C(c1ccc(cc1)Cl)c1ccccc1 | 10.1038/s41467-023-40064-9 | ||
| 2169 | 44847 | 35 | None | -38 | 12 | Human | 5.6 | pAC50 | = | 5.6 | Functional | ChEMBL | 380 | 9 | 3 | 6 | 1.4 | COc1ccccc1OCCNCC(O)c1ccc(C)c(S(N)(=O)=O)c1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL152231 | 44847 | 35 | None | -38 | 12 | Human | 5.6 | pAC50 | = | 5.6 | Functional | ChEMBL | 380 | 9 | 3 | 6 | 1.4 | COc1ccccc1OCCNCC(O)c1ccc(C)c(S(N)(=O)=O)c1 | 10.1038/s41467-023-40064-9 | ||
| 9801 | 91585 | 35 | None | -6 | 16 | Human | 5.6 | pAC50 | = | 5.6 | Functional | ChEMBL | 329 | 8 | 1 | 1 | 5.4 | CC(Cc1ccccc1)NCCC(c1ccccc1)c1ccccc1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL24072 | 91585 | 35 | None | -6 | 16 | Human | 5.6 | pAC50 | = | 5.6 | Functional | ChEMBL | 329 | 8 | 1 | 1 | 5.4 | CC(Cc1ccccc1)NCCC(c1ccccc1)c1ccccc1 | 10.1038/s41467-023-40064-9 | ||
| 1164 | 1630 | 26 | None | -3235 | 13 | Human | 4.6 | pAC50 | = | 4.6 | Functional | ChEMBL | 336 | 6 | 0 | 2 | 4.1 | CCC(=O)N(c1ccccc1)C1CCN(CC1)CCc1ccccc1 | 10.1038/s41467-023-40064-9 | ||
| 1626 | 1630 | 26 | None | -3235 | 13 | Human | 4.6 | pAC50 | = | 4.6 | Functional | ChEMBL | 336 | 6 | 0 | 2 | 4.1 | CCC(=O)N(c1ccccc1)C1CCN(CC1)CCc1ccccc1 | 10.1038/s41467-023-40064-9 | ||
| 3345 | 1630 | 26 | None | -3235 | 13 | Human | 4.6 | pAC50 | = | 4.6 | Functional | ChEMBL | 336 | 6 | 0 | 2 | 4.1 | CCC(=O)N(c1ccccc1)C1CCN(CC1)CCc1ccccc1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL596 | 1630 | 26 | None | -3235 | 13 | Human | 4.6 | pAC50 | = | 4.6 | Functional | ChEMBL | 336 | 6 | 0 | 2 | 4.1 | CCC(=O)N(c1ccccc1)C1CCN(CC1)CCc1ccccc1 | 10.1038/s41467-023-40064-9 | ||
| DB00813 | 1630 | 26 | None | -3235 | 13 | Human | 4.6 | pAC50 | = | 4.6 | Functional | ChEMBL | 336 | 6 | 0 | 2 | 4.1 | CCC(=O)N(c1ccccc1)C1CCN(CC1)CCc1ccccc1 | 10.1038/s41467-023-40064-9 | ||
| 3658 | 4107 | 53 | None | -12 | 18 | Human | 6.6 | pAC50 | = | 6.6 | Functional | ChEMBL | 244 | 2 | 1 | 2 | 3.1 | Cc1cc(cc(c1CC1=NCCN1)C)C(C)(C)C | 10.1038/s41467-023-40064-9 | ||
| 517 | 4107 | 53 | None | -12 | 18 | Human | 6.6 | pAC50 | = | 6.6 | Functional | ChEMBL | 244 | 2 | 1 | 2 | 3.1 | Cc1cc(cc(c1CC1=NCCN1)C)C(C)(C)C | 10.1038/s41467-023-40064-9 | ||
| 5709 | 4107 | 53 | None | -12 | 18 | Human | 6.6 | pAC50 | = | 6.6 | Functional | ChEMBL | 244 | 2 | 1 | 2 | 3.1 | Cc1cc(cc(c1CC1=NCCN1)C)C(C)(C)C | 10.1038/s41467-023-40064-9 | ||
| CHEMBL312448 | 4107 | 53 | None | -12 | 18 | Human | 6.6 | pAC50 | = | 6.6 | Functional | ChEMBL | 244 | 2 | 1 | 2 | 3.1 | Cc1cc(cc(c1CC1=NCCN1)C)C(C)(C)C | 10.1038/s41467-023-40064-9 | ||
| DB06694 | 4107 | 53 | None | -12 | 18 | Human | 6.6 | pAC50 | = | 6.6 | Functional | ChEMBL | 244 | 2 | 1 | 2 | 3.1 | Cc1cc(cc(c1CC1=NCCN1)C)C(C)(C)C | 10.1038/s41467-023-40064-9 | ||
| 5591 | 157531 | 90 | None | -14 | 17 | Human | 4.6 | pAC50 | = | 4.6 | Functional | ChEMBL | 441 | 5 | 2 | 6 | 4.4 | Cc1c(C)c2c(c(C)c1O)CCC(C)(COc1ccc(CC3SC(=O)NC3=O)cc1)O2 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL408 | 157531 | 90 | None | -14 | 17 | Human | 4.6 | pAC50 | = | 4.6 | Functional | ChEMBL | 441 | 5 | 2 | 6 | 4.4 | Cc1c(C)c2c(c(C)c1O)CCC(C)(COc1ccc(CC3SC(=O)NC3=O)cc1)O2 | 10.1038/s41467-023-40064-9 | ||
| 2267 | 559 | 71 | None | -100 | 14 | Human | 5.6 | pAC50 | = | 5.6 | Functional | ChEMBL | 381 | 3 | 0 | 4 | 4.3 | CN1CCCC(CC1)n1nc(Cc2ccc(cc2)Cl)c2c(c1=O)cccc2 | 10.1038/s41467-023-40064-9 | ||
| 271 | 559 | 71 | None | -100 | 14 | Human | 5.6 | pAC50 | = | 5.6 | Functional | ChEMBL | 381 | 3 | 0 | 4 | 4.3 | CN1CCCC(CC1)n1nc(Cc2ccc(cc2)Cl)c2c(c1=O)cccc2 | 10.1038/s41467-023-40064-9 | ||
| 7121 | 559 | 71 | None | -100 | 14 | Human | 5.6 | pAC50 | = | 5.6 | Functional | ChEMBL | 381 | 3 | 0 | 4 | 4.3 | CN1CCCC(CC1)n1nc(Cc2ccc(cc2)Cl)c2c(c1=O)cccc2 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL639 | 559 | 71 | None | -100 | 14 | Human | 5.6 | pAC50 | = | 5.6 | Functional | ChEMBL | 381 | 3 | 0 | 4 | 4.3 | CN1CCCC(CC1)n1nc(Cc2ccc(cc2)Cl)c2c(c1=O)cccc2 | 10.1038/s41467-023-40064-9 | ||
| DB00972 | 559 | 71 | None | -100 | 14 | Human | 5.6 | pAC50 | = | 5.6 | Functional | ChEMBL | 381 | 3 | 0 | 4 | 4.3 | CN1CCCC(CC1)n1nc(Cc2ccc(cc2)Cl)c2c(c1=O)cccc2 | 10.1038/s41467-023-40064-9 | ||
| 2318 | 154856 | 29 | None | -3 | 15 | Human | 5.6 | pAC50 | = | 5.6 | Functional | ChEMBL | 351 | 7 | 1 | 3 | 4.1 | CC(Cc1cccc(C(F)(F)F)c1)NCCOC(=O)c1ccccc1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL400599 | 154856 | 29 | None | -3 | 15 | Human | 5.6 | pAC50 | = | 5.6 | Functional | ChEMBL | 351 | 7 | 1 | 3 | 4.1 | CC(Cc1cccc(C(F)(F)F)c1)NCCOC(=O)c1ccccc1 | 10.1038/s41467-023-40064-9 | ||
| 2803 | 955 | 58 | None | -15 | 14 | Human | 6.6 | pAC50 | = | 6.6 | Functional | ChEMBL | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | 10.1038/s41467-023-40064-9 | ||
| 516 | 955 | 58 | None | -15 | 14 | Human | 6.6 | pAC50 | = | 6.6 | Functional | ChEMBL | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | 10.1038/s41467-023-40064-9 | ||
| 704 | 955 | 58 | None | -15 | 14 | Human | 6.6 | pAC50 | = | 6.6 | Functional | ChEMBL | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | 10.1038/s41467-023-40064-9 | ||
| CHEMBL134 | 955 | 58 | None | -15 | 14 | Human | 6.6 | pAC50 | = | 6.6 | Functional | ChEMBL | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | 10.1038/s41467-023-40064-9 | ||
| DB00575 | 955 | 58 | None | -15 | 14 | Human | 6.6 | pAC50 | = | 6.6 | Functional | ChEMBL | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | 10.1038/s41467-023-40064-9 | ||
| 11434515 | 261 | 6 | None | -13182 | 11 | Human | 5.6 | pAC50 | = | 5.6 | Functional | ChEMBL | 484 | 9 | 1 | 6 | 4.7 | O=C(C(c1cccs1)(c1cccs1)O)O[C@H]1C[N+]2(CCCOc3ccccc3)CCC1CC2 | 10.1038/s41467-023-40064-9 | ||
| 11519741 | 261 | 6 | None | -13182 | 11 | Human | 5.6 | pAC50 | = | 5.6 | Functional | ChEMBL | 484 | 9 | 1 | 6 | 4.7 | O=C(C(c1cccs1)(c1cccs1)O)O[C@H]1C[N+]2(CCCOc3ccccc3)CCC1CC2 | 10.1038/s41467-023-40064-9 | ||
| 4484 | 261 | 6 | None | -13182 | 11 | Human | 5.6 | pAC50 | = | 5.6 | Functional | ChEMBL | 484 | 9 | 1 | 6 | 4.7 | O=C(C(c1cccs1)(c1cccs1)O)O[C@H]1C[N+]2(CCCOc3ccccc3)CCC1CC2 | 10.1038/s41467-023-40064-9 | ||
| 7449 | 261 | 6 | None | -13182 | 11 | Human | 5.6 | pAC50 | = | 5.6 | Functional | ChEMBL | 484 | 9 | 1 | 6 | 4.7 | O=C(C(c1cccs1)(c1cccs1)O)O[C@H]1C[N+]2(CCCOc3ccccc3)CCC1CC2 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1194325 | 261 | 6 | None | -13182 | 11 | Human | 5.6 | pAC50 | = | 5.6 | Functional | ChEMBL | 484 | 9 | 1 | 6 | 4.7 | O=C(C(c1cccs1)(c1cccs1)O)O[C@H]1C[N+]2(CCCOc3ccccc3)CCC1CC2 | 10.1038/s41467-023-40064-9 | ||
| DB08897 | 261 | 6 | None | -13182 | 11 | Human | 5.6 | pAC50 | = | 5.6 | Functional | ChEMBL | 484 | 9 | 1 | 6 | 4.7 | O=C(C(c1cccs1)(c1cccs1)O)O[C@H]1C[N+]2(CCCOc3ccccc3)CCC1CC2 | 10.1038/s41467-023-40064-9 | ||
| 2131 | 57407 | 25 | None | -3 | 7 | Human | 5.6 | pAC50 | = | 5.6 | Functional | ChEMBL | 536 | 14 | 2 | 2 | 4.6 | CC[N+](CC)(CCNC(=O)C(=O)NCC[N+](CC)(CC)Cc1ccccc1Cl)Cc1ccccc1Cl | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1652 | 57407 | 25 | None | -3 | 7 | Human | 5.6 | pAC50 | = | 5.6 | Functional | ChEMBL | 536 | 14 | 2 | 2 | 4.6 | CC[N+](CC)(CCNC(=O)C(=O)NCC[N+](CC)(CC)Cc1ccccc1Cl)Cc1ccccc1Cl | 10.1038/s41467-023-40064-9 | ||
| 54682461 | 84686 | 62 | None | -5 | 12 | Human | 4.6 | pAC50 | = | 4.6 | Functional | ChEMBL | 602 | 11 | 2 | 6 | 7.3 | CCC[C@@]1(CCc2ccccc2)CC(O)=C([C@H](CC)c2cccc(NS(=O)(=O)c3ccc(C(F)(F)F)cn3)c2)C(=O)O1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL222559 | 84686 | 62 | None | -5 | 12 | Human | 4.6 | pAC50 | = | 4.6 | Functional | ChEMBL | 602 | 11 | 2 | 6 | 7.3 | CCC[C@@]1(CCc2ccccc2)CC(O)=C([C@H](CC)c2cccc(NS(=O)(=O)c3ccc(C(F)(F)F)cn3)c2)C(=O)O1 | 10.1038/s41467-023-40064-9 | ||
| 1343 | 1889 | 62 | None | -11 | 12 | Human | 5.6 | pAC50 | = | 5.6 | Functional | ChEMBL | 245 | 2 | 2 | 1 | 1.3 | O=C(Cc1c(Cl)cccc1Cl)N=C(N)N | 10.1038/s41467-023-40064-9 | ||
| 3519 | 1889 | 62 | None | -11 | 12 | Human | 5.6 | pAC50 | = | 5.6 | Functional | ChEMBL | 245 | 2 | 2 | 1 | 1.3 | O=C(Cc1c(Cl)cccc1Cl)N=C(N)N | 10.1038/s41467-023-40064-9 | ||
| 522 | 1889 | 62 | None | -11 | 12 | Human | 5.6 | pAC50 | = | 5.6 | Functional | ChEMBL | 245 | 2 | 2 | 1 | 1.3 | O=C(Cc1c(Cl)cccc1Cl)N=C(N)N | 10.1038/s41467-023-40064-9 | ||
| CHEMBL862 | 1889 | 62 | None | -11 | 12 | Human | 5.6 | pAC50 | = | 5.6 | Functional | ChEMBL | 245 | 2 | 2 | 1 | 1.3 | O=C(Cc1c(Cl)cccc1Cl)N=C(N)N | 10.1038/s41467-023-40064-9 | ||
| DB01018 | 1889 | 62 | None | -11 | 12 | Human | 5.6 | pAC50 | = | 5.6 | Functional | ChEMBL | 245 | 2 | 2 | 1 | 1.3 | O=C(Cc1c(Cl)cccc1Cl)N=C(N)N | 10.1038/s41467-023-40064-9 | ||
| 25102847 | 78221 | 93 | None | -21 | 10 | Human | 4.6 | pAC50 | = | 4.6 | Functional | ChEMBL | 501 | 8 | 2 | 6 | 5.5 | COc1cc2nccc(Oc3ccc(NC(=O)C4(C(=O)Nc5ccc(F)cc5)CC4)cc3)c2cc1OC | 10.1038/s41467-023-40064-9 | ||
| CHEMBL2105717 | 78221 | 93 | None | -21 | 10 | Human | 4.6 | pAC50 | = | 4.6 | Functional | ChEMBL | 501 | 8 | 2 | 6 | 5.5 | COc1cc2nccc(Oc3ccc(NC(=O)C4(C(=O)Nc5ccc(F)cc5)CC4)cc3)c2cc1OC | 10.1038/s41467-023-40064-9 | ||
| 65700 | 78260 | 28 | None | -77 | 8 | Human | 4.6 | pAC50 | = | 4.6 | Functional | ChEMBL | 238 | 1 | 1 | 2 | 3.3 | CNC1Cc2ccccc2N(C)c2ccccc21 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL2106919 | 78260 | 28 | None | -77 | 8 | Human | 4.6 | pAC50 | = | 4.6 | Functional | ChEMBL | 238 | 1 | 1 | 2 | 3.3 | CNC1Cc2ccccc2N(C)c2ccccc21 | 10.1038/s41467-023-40064-9 | ||
| 2333 | 142335 | 97 | None | -22 | 14 | Human | 4.6 | pAC50 | = | 4.6 | Functional | ChEMBL | 422 | 3 | 1 | 3 | 5.5 | CCc1oc2ccccc2c1C(=O)c1cc(Br)c(O)c(Br)c1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL388590 | 142335 | 97 | None | -22 | 14 | Human | 4.6 | pAC50 | = | 4.6 | Functional | ChEMBL | 422 | 3 | 1 | 3 | 5.5 | CCc1oc2ccccc2c1C(=O)c1cc(Br)c(O)c(Br)c1 | 10.1038/s41467-023-40064-9 | ||
| 10531 | 1420 | 21 | None | -19 | 25 | Human | 7.6 | pAC50 | = | 7.6 | Functional | ChEMBL | 583 | 4 | 3 | 6 | 2.1 | CN1C[C@@H](C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3)C(=O)N[C@]1(C)O[C@@]2(N(C1=O)[C@@H](Cc1ccccc1)C(=O)N1[C@H]2CCC1)O | 10.1038/s41467-023-40064-9 | ||
| 121 | 1420 | 21 | None | -19 | 25 | Human | 7.6 | pAC50 | = | 7.6 | Functional | ChEMBL | 583 | 4 | 3 | 6 | 2.1 | CN1C[C@@H](C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3)C(=O)N[C@]1(C)O[C@@]2(N(C1=O)[C@@H](Cc1ccccc1)C(=O)N1[C@H]2CCC1)O | 10.1038/s41467-023-40064-9 | ||
| 888 | 1420 | 21 | None | -19 | 25 | Human | 7.6 | pAC50 | = | 7.6 | Functional | ChEMBL | 583 | 4 | 3 | 6 | 2.1 | CN1C[C@@H](C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3)C(=O)N[C@]1(C)O[C@@]2(N(C1=O)[C@@H](Cc1ccccc1)C(=O)N1[C@H]2CCC1)O | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1732 | 1420 | 21 | None | -19 | 25 | Human | 7.6 | pAC50 | = | 7.6 | Functional | ChEMBL | 583 | 4 | 3 | 6 | 2.1 | CN1C[C@@H](C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3)C(=O)N[C@]1(C)O[C@@]2(N(C1=O)[C@@H](Cc1ccccc1)C(=O)N1[C@H]2CCC1)O | 10.1038/s41467-023-40064-9 | ||
| DB00320 | 1420 | 21 | None | -19 | 25 | Human | 7.6 | pAC50 | = | 7.6 | Functional | ChEMBL | 583 | 4 | 3 | 6 | 2.1 | CN1C[C@@H](C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3)C(=O)N[C@]1(C)O[C@@]2(N(C1=O)[C@@H](Cc1ccccc1)C(=O)N1[C@H]2CCC1)O | 10.1038/s41467-023-40064-9 | ||
| 1960 | 2857 | 67 | None | -11 | 18 | Human | 6.6 | pAC50 | = | 6.6 | Functional | ChEMBL | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 10.1038/s41467-023-40064-9 | ||
| 439260 | 2857 | 67 | None | -11 | 18 | Human | 6.6 | pAC50 | = | 6.6 | Functional | ChEMBL | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 10.1038/s41467-023-40064-9 | ||
| 505 | 2857 | 67 | None | -11 | 18 | Human | 6.6 | pAC50 | = | 6.6 | Functional | ChEMBL | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1437 | 2857 | 67 | None | -11 | 18 | Human | 6.6 | pAC50 | = | 6.6 | Functional | ChEMBL | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 10.1038/s41467-023-40064-9 | ||
| DB00368 | 2857 | 67 | None | -11 | 18 | Human | 6.6 | pAC50 | = | 6.6 | Functional | ChEMBL | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 10.1038/s41467-023-40064-9 | ||
| 5282136 | 60284 | 73 | None | - | 1 | Human | 5.6 | pAC50 | = | 5.6 | Functional | ChEMBL | 431 | 11 | 1 | 6 | 2.7 | O=C(C[S+]([O-])Cc1ccco1)NC/C=C\COc1cc(CN2CCCCC2)ccn1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1742461 | 60284 | 73 | None | - | 1 | Human | 5.6 | pAC50 | = | 5.6 | Functional | ChEMBL | 431 | 11 | 1 | 6 | 2.7 | O=C(C[S+]([O-])Cc1ccco1)NC/C=C\COc1cc(CN2CCCCC2)ccn1 | 10.1038/s41467-023-40064-9 | ||
| 9429 | 202133 | 58 | None | -275 | 18 | Human | 5.6 | pAC50 | = | 5.6 | Functional | ChEMBL | 446 | 6 | 0 | 6 | 3.2 | CN1CCN(CCCN2c3ccccc3Sc3ccc(S(=O)(=O)N(C)C)cc32)CC1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL609109 | 202133 | 58 | None | -275 | 18 | Human | 5.6 | pAC50 | = | 5.6 | Functional | ChEMBL | 446 | 6 | 0 | 6 | 3.2 | CN1CCN(CCCN2c3ccccc3Sc3ccc(S(=O)(=O)N(C)C)cc32)CC1 | 10.1038/s41467-023-40064-9 | ||
| 260 | 3869 | 54 | None | -7 | 8 | Human | 4.6 | pAC50 | = | 4.6 | Functional | ChEMBL | 284 | 2 | 1 | 3 | 3.0 | CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(=O)c1c[nH]c2c1cccc2 | 10.1038/s41467-023-40064-9 | ||
| 2775 | 3869 | 54 | None | -7 | 8 | Human | 4.6 | pAC50 | = | 4.6 | Functional | ChEMBL | 284 | 2 | 1 | 3 | 3.0 | CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(=O)c1c[nH]c2c1cccc2 | 10.1038/s41467-023-40064-9 | ||
| 656665 | 3869 | 54 | None | -7 | 8 | Human | 4.6 | pAC50 | = | 4.6 | Functional | ChEMBL | 284 | 2 | 1 | 3 | 3.0 | CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(=O)c1c[nH]c2c1cccc2 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL56564 | 3869 | 54 | None | -7 | 8 | Human | 4.6 | pAC50 | = | 4.6 | Functional | ChEMBL | 284 | 2 | 1 | 3 | 3.0 | CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(=O)c1c[nH]c2c1cccc2 | 10.1038/s41467-023-40064-9 | ||
| DB11699 | 3869 | 54 | None | -7 | 8 | Human | 4.6 | pAC50 | = | 4.6 | Functional | ChEMBL | 284 | 2 | 1 | 3 | 3.0 | CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(=O)c1c[nH]c2c1cccc2 | 10.1038/s41467-023-40064-9 | ||
| 60065 | 84369 | 6 | None | -17 | 11 | Human | 4.6 | pAC50 | = | 4.6 | Functional | ChEMBL | 505 | 7 | 1 | 8 | 4.2 | COC(=O)C1=C(C)NC(C)=C(C(=O)O[C@@H]2CCCN(Cc3ccccc3)C2)C1c1cccc([N+](=O)[O-])c1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL2218858 | 84369 | 6 | None | -17 | 11 | Human | 4.6 | pAC50 | = | 4.6 | Functional | ChEMBL | 505 | 7 | 1 | 8 | 4.2 | COC(=O)C1=C(C)NC(C)=C(C(=O)O[C@@H]2CCCN(Cc3ccccc3)C2)C1c1cccc([N+](=O)[O-])c1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL4743867 | 214033 | 14 | None | -89 | 15 | Human | 6.6 | pAC50 | = | 6.6 | Functional | ChEMBL | None | None | None | OCCN1CCN(CCC=C2c3ccccc3Sc3ccc(C(F)(F)F)cc32)CC1 | 10.1038/s41467-023-40064-9 | ||||
| 1028 | 291 | 71 | None | -44 | 19 | Human | 5.6 | pAC50 | = | 5.6 | Functional | ChEMBL | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 10.1038/s41467-023-40064-9 | ||
| 139148732 | 291 | 71 | None | -44 | 19 | Human | 5.6 | pAC50 | = | 5.6 | Functional | ChEMBL | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 10.1038/s41467-023-40064-9 | ||
| 479 | 291 | 71 | None | -44 | 19 | Human | 5.6 | pAC50 | = | 5.6 | Functional | ChEMBL | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 10.1038/s41467-023-40064-9 | ||
| 5816 | 291 | 71 | None | -44 | 19 | Human | 5.6 | pAC50 | = | 5.6 | Functional | ChEMBL | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 10.1038/s41467-023-40064-9 | ||
| CHEMBL679 | 291 | 71 | None | -44 | 19 | Human | 5.6 | pAC50 | = | 5.6 | Functional | ChEMBL | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 10.1038/s41467-023-40064-9 | ||
| DB00668 | 291 | 71 | None | -44 | 19 | Human | 5.6 | pAC50 | = | 5.6 | Functional | ChEMBL | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 10.1038/s41467-023-40064-9 | ||
| 3151 | 1462 | 97 | None | -602 | 24 | Human | 5.6 | pAC50 | = | 5.6 | Functional | ChEMBL | 425 | 5 | 2 | 5 | 3.4 | Clc1ccc2c(c1)[nH]c(=O)n2C1CCN(CC1)CCCn1c(=O)[nH]c2c1cccc2 | 10.1038/s41467-023-40064-9 | ||
| 945 | 1462 | 97 | None | -602 | 24 | Human | 5.6 | pAC50 | = | 5.6 | Functional | ChEMBL | 425 | 5 | 2 | 5 | 3.4 | Clc1ccc2c(c1)[nH]c(=O)n2C1CCN(CC1)CCCn1c(=O)[nH]c2c1cccc2 | 10.1038/s41467-023-40064-9 | ||
| 965 | 1462 | 97 | None | -602 | 24 | Human | 5.6 | pAC50 | = | 5.6 | Functional | ChEMBL | 425 | 5 | 2 | 5 | 3.4 | Clc1ccc2c(c1)[nH]c(=O)n2C1CCN(CC1)CCCn1c(=O)[nH]c2c1cccc2 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL219916 | 1462 | 97 | None | -602 | 24 | Human | 5.6 | pAC50 | = | 5.6 | Functional | ChEMBL | 425 | 5 | 2 | 5 | 3.4 | Clc1ccc2c(c1)[nH]c(=O)n2C1CCN(CC1)CCCn1c(=O)[nH]c2c1cccc2 | 10.1038/s41467-023-40064-9 | ||
| DB01184 | 1462 | 97 | None | -602 | 24 | Human | 5.6 | pAC50 | = | 5.6 | Functional | ChEMBL | 425 | 5 | 2 | 5 | 3.4 | Clc1ccc2c(c1)[nH]c(=O)n2C1CCN(CC1)CCCn1c(=O)[nH]c2c1cccc2 | 10.1038/s41467-023-40064-9 | ||
| 47319 | 26464 | 35 | None | 1 | 6 | Human | 5.6 | pAC50 | = | 5.6 | Functional | ChEMBL | 929 | 24 | 0 | 12 | 8.1 | COc1ccc(CC2c3cc(OC)c(OC)cc3CC[N+]2(C)CCC(=O)OCCCCCOC(=O)CC[N+]2(C)CCc3cc(OC)c(OC)cc3C2Cc2ccc(OC)c(OC)c2)cc1OC | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1360 | 26464 | 35 | None | 1 | 6 | Human | 5.6 | pAC50 | = | 5.6 | Functional | ChEMBL | 929 | 24 | 0 | 12 | 8.1 | COc1ccc(CC2c3cc(OC)c(OC)cc3CC[N+]2(C)CCC(=O)OCCCCCOC(=O)CC[N+]2(C)CCc3cc(OC)c(OC)cc3C2Cc2ccc(OC)c(OC)c2)cc1OC | 10.1038/s41467-023-40064-9 | ||
| 4846 | 27987 | 53 | None | -1 | 10 | Human | 5.6 | pAC50 | = | 5.6 | Functional | ChEMBL | 308 | 1 | 2 | 6 | 2.2 | O=C(O)c1cc(O)c2c3nc4ccccc4oc-3cc(=O)c2n1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1372341 | 27987 | 53 | None | -1 | 10 | Human | 5.6 | pAC50 | = | 5.6 | Functional | ChEMBL | 308 | 1 | 2 | 6 | 2.2 | O=C(O)c1cc(O)c2c3nc4ccccc4oc-3cc(=O)c2n1 | 10.1038/s41467-023-40064-9 | ||
| 5639 | 98895 | 75 | None | -53 | 13 | Human | 5.6 | pAC50 | = | 5.6 | Functional | ChEMBL | 387 | 7 | 1 | 8 | 0.7 | COc1ccccc1N1CCN(CCCNc2cc(=O)n(C)c(=O)n2C)CC1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL279229 | 98895 | 75 | None | -53 | 13 | Human | 5.6 | pAC50 | = | 5.6 | Functional | ChEMBL | 387 | 7 | 1 | 8 | 0.7 | COc1ccccc1N1CCN(CCCNc2cc(=O)n(C)c(=O)n2C)CC1 | 10.1038/s41467-023-40064-9 | ||
| 2179 | 167518 | 76 | None | -2 | 15 | Human | 5.6 | pAC50 | = | 5.6 | Functional | ChEMBL | 393 | 5 | 2 | 5 | 4.5 | COc1cc(NS(C)(=O)=O)ccc1Nc1c2ccccc2nc2ccccc12 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1256655 | 167518 | 76 | None | -2 | 15 | Human | 5.6 | pAC50 | = | 5.6 | Functional | ChEMBL | 393 | 5 | 2 | 5 | 4.5 | COc1cc(NS(C)(=O)=O)ccc1Nc1c2ccccc2nc2ccccc12 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL43 | 167518 | 76 | None | -2 | 15 | Human | 5.6 | pAC50 | = | 5.6 | Functional | ChEMBL | 393 | 5 | 2 | 5 | 4.5 | COc1cc(NS(C)(=O)=O)ccc1Nc1c2ccccc2nc2ccccc12 | 10.1038/s41467-023-40064-9 | ||
| 180 | 401 | 56 | None | -281 | 38 | Human | 6.5 | pAC50 | = | 6.5 | Functional | ChEMBL | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | 10.1038/s41467-023-40064-9 | ||
| 200 | 401 | 56 | None | -281 | 38 | Human | 6.5 | pAC50 | = | 6.5 | Functional | ChEMBL | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | 10.1038/s41467-023-40064-9 | ||
| 2160 | 401 | 56 | None | -281 | 38 | Human | 6.5 | pAC50 | = | 6.5 | Functional | ChEMBL | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | 10.1038/s41467-023-40064-9 | ||
| CHEMBL629 | 401 | 56 | None | -281 | 38 | Human | 6.5 | pAC50 | = | 6.5 | Functional | ChEMBL | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | 10.1038/s41467-023-40064-9 | ||
| DB00321 | 401 | 56 | None | -281 | 38 | Human | 6.5 | pAC50 | = | 6.5 | Functional | ChEMBL | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | 10.1038/s41467-023-40064-9 | ||
| 26757 | 207978 | 31 | None | -7 | 5 | Human | 5.5 | pAC50 | = | 5.5 | Functional | ChEMBL | 187 | 4 | 0 | 1 | 2.2 | C#CCN(C)[C@H](C)Cc1ccccc1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL972 | 207978 | 31 | None | -7 | 5 | Human | 5.5 | pAC50 | = | 5.5 | Functional | ChEMBL | 187 | 4 | 0 | 1 | 2.2 | C#CCN(C)[C@H](C)Cc1ccccc1 | 10.1038/s41467-023-40064-9 | ||
| 154417 | 23181 | 60 | None | -7079 | 7 | Human | 4.5 | pAC50 | = | 4.5 | Functional | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | CN1[C@@H]2CC[C@H]1C[C@@H](OC(=O)[C@H](CO)c1ccccc1)C2 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1331216 | 23181 | 60 | None | -7079 | 7 | Human | 4.5 | pAC50 | = | 4.5 | Functional | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | CN1[C@@H]2CC[C@H]1C[C@@H](OC(=O)[C@H](CO)c1ccccc1)C2 | 10.1038/s41467-023-40064-9 | ||
| 2601 | 3780 | 33 | None | 1 | 17 | Human | 8.5 | pAC50 | = | 8.5 | Functional | ChEMBL | 340 | 3 | 2 | 2 | 2.9 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)c[nH]3)CC | 10.1038/s41467-023-40064-9 | ||
| 443951 | 3780 | 33 | None | 1 | 17 | Human | 8.5 | pAC50 | = | 8.5 | Functional | ChEMBL | 340 | 3 | 2 | 2 | 2.9 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)c[nH]3)CC | 10.1038/s41467-023-40064-9 | ||
| 56 | 3780 | 33 | None | 1 | 17 | Human | 8.5 | pAC50 | = | 8.5 | Functional | ChEMBL | 340 | 3 | 2 | 2 | 2.9 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)c[nH]3)CC | 10.1038/s41467-023-40064-9 | ||
| CHEMBL73151 | 3780 | 33 | None | 1 | 17 | Human | 8.5 | pAC50 | = | 8.5 | Functional | ChEMBL | 340 | 3 | 2 | 2 | 2.9 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)c[nH]3)CC | 10.1038/s41467-023-40064-9 | ||
| DB13399 | 3780 | 33 | None | 1 | 17 | Human | 8.5 | pAC50 | = | 8.5 | Functional | ChEMBL | 340 | 3 | 2 | 2 | 2.9 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)c[nH]3)CC | 10.1038/s41467-023-40064-9 | ||
| 102 | 4127 | 48 | None | -2 | 20 | Human | 8.5 | pAC50 | = | 8.5 | Functional | ChEMBL | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | 10.1038/s41467-023-40064-9 | ||
| 3659 | 4127 | 48 | None | -2 | 20 | Human | 8.5 | pAC50 | = | 8.5 | Functional | ChEMBL | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | 10.1038/s41467-023-40064-9 | ||
| 8969 | 4127 | 48 | None | -2 | 20 | Human | 8.5 | pAC50 | = | 8.5 | Functional | ChEMBL | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL15245 | 4127 | 48 | None | -2 | 20 | Human | 8.5 | pAC50 | = | 8.5 | Functional | ChEMBL | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | 10.1038/s41467-023-40064-9 | ||
| DB01392 | 4127 | 48 | None | -2 | 20 | Human | 8.5 | pAC50 | = | 8.5 | Functional | ChEMBL | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | 10.1038/s41467-023-40064-9 | ||
| 37 | 778 | 60 | None | -63 | 12 | Human | 6.5 | pAC50 | = | 6.5 | Functional | ChEMBL | 451 | 8 | 2 | 4 | 3.2 | C=CCN1C[C@@H](C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3)C(=O)N(C(=O)NCC)CCCN(C)C | 10.1038/s41467-023-40064-9 | ||
| 460 | 778 | 60 | None | -63 | 12 | Human | 6.5 | pAC50 | = | 6.5 | Functional | ChEMBL | 451 | 8 | 2 | 4 | 3.2 | C=CCN1C[C@@H](C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3)C(=O)N(C(=O)NCC)CCCN(C)C | 10.1038/s41467-023-40064-9 | ||
| 54746 | 778 | 60 | None | -63 | 12 | Human | 6.5 | pAC50 | = | 6.5 | Functional | ChEMBL | 451 | 8 | 2 | 4 | 3.2 | C=CCN1C[C@@H](C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3)C(=O)N(C(=O)NCC)CCCN(C)C | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1201087 | 778 | 60 | None | -63 | 12 | Human | 6.5 | pAC50 | = | 6.5 | Functional | ChEMBL | 451 | 8 | 2 | 4 | 3.2 | C=CCN1C[C@@H](C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3)C(=O)N(C(=O)NCC)CCCN(C)C | 10.1038/s41467-023-40064-9 | ||
| DB00248 | 778 | 60 | None | -63 | 12 | Human | 6.5 | pAC50 | = | 6.5 | Functional | ChEMBL | 451 | 8 | 2 | 4 | 3.2 | C=CCN1C[C@@H](C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3)C(=O)N(C(=O)NCC)CCCN(C)C | 10.1038/s41467-023-40064-9 | ||
| 129211 | 3749 | 78 | None | -660 | 14 | Human | 6.5 | pAC50 | = | 6.5 | Functional | ChEMBL | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | 10.1038/s41467-023-40064-9 | ||
| 2562 | 3749 | 78 | None | -660 | 14 | Human | 6.5 | pAC50 | = | 6.5 | Functional | ChEMBL | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | 10.1038/s41467-023-40064-9 | ||
| 488 | 3749 | 78 | None | -660 | 14 | Human | 6.5 | pAC50 | = | 6.5 | Functional | ChEMBL | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | 10.1038/s41467-023-40064-9 | ||
| CHEMBL836 | 3749 | 78 | None | -660 | 14 | Human | 6.5 | pAC50 | = | 6.5 | Functional | ChEMBL | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | 10.1038/s41467-023-40064-9 | ||
| DB00706 | 3749 | 78 | None | -660 | 14 | Human | 6.5 | pAC50 | = | 6.5 | Functional | ChEMBL | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | 10.1038/s41467-023-40064-9 | ||
| 46780481 | 107531 | 20 | None | -1513 | 15 | Human | 6.5 | pAC50 | = | 6.5 | Functional | ChEMBL | 285 | 0 | 0 | 2 | 4.3 | CN1CC2c3ccccc3Oc3ccc(Cl)cc3C2C1 | 10.1038/s41467-023-40064-9 | ||
| 9903970 | 107531 | 20 | None | -1513 | 15 | Human | 6.5 | pAC50 | = | 6.5 | Functional | ChEMBL | 285 | 0 | 0 | 2 | 4.3 | CN1CC2c3ccccc3Oc3ccc(Cl)cc3C2C1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL3187365 | 107531 | 20 | None | -1513 | 15 | Human | 6.5 | pAC50 | = | 6.5 | Functional | ChEMBL | 285 | 0 | 0 | 2 | 4.3 | CN1CC2c3ccccc3Oc3ccc(Cl)cc3C2C1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL3544974 | 107531 | 20 | None | -1513 | 15 | Human | 6.5 | pAC50 | = | 6.5 | Functional | ChEMBL | 285 | 0 | 0 | 2 | 4.3 | CN1CC2c3ccccc3Oc3ccc(Cl)cc3C2C1 | 10.1038/s41467-023-40064-9 | ||
| 1782 | 2518 | 84 | None | -144 | 13 | Human | 5.5 | pAC50 | = | 5.5 | Functional | ChEMBL | 299 | 7 | 2 | 4 | 2.0 | CCN(CCNC(=O)c1cc(Cl)c(cc1OC)N)CC | 10.1038/s41467-023-40064-9 | ||
| 241 | 2518 | 84 | None | -144 | 13 | Human | 5.5 | pAC50 | = | 5.5 | Functional | ChEMBL | 299 | 7 | 2 | 4 | 2.0 | CCN(CCNC(=O)c1cc(Cl)c(cc1OC)N)CC | 10.1038/s41467-023-40064-9 | ||
| 4168 | 2518 | 84 | None | -144 | 13 | Human | 5.5 | pAC50 | = | 5.5 | Functional | ChEMBL | 299 | 7 | 2 | 4 | 2.0 | CCN(CCNC(=O)c1cc(Cl)c(cc1OC)N)CC | 10.1038/s41467-023-40064-9 | ||
| CHEMBL86 | 2518 | 84 | None | -144 | 13 | Human | 5.5 | pAC50 | = | 5.5 | Functional | ChEMBL | 299 | 7 | 2 | 4 | 2.0 | CCN(CCNC(=O)c1cc(Cl)c(cc1OC)N)CC | 10.1038/s41467-023-40064-9 | ||
| DB01233 | 2518 | 84 | None | -144 | 13 | Human | 5.5 | pAC50 | = | 5.5 | Functional | ChEMBL | 299 | 7 | 2 | 4 | 2.0 | CCN(CCNC(=O)c1cc(Cl)c(cc1OC)N)CC | 10.1038/s41467-023-40064-9 | ||
| 2286 | 3183 | 51 | None | -602 | 28 | Human | 5.5 | pAC50 | = | 5.5 | Functional | ChEMBL | 284 | 3 | 0 | 3 | 4.2 | CN(C(CN1c2ccccc2Sc2c1cccc2)C)C | 10.1038/s41467-023-40064-9 | ||
| 4927 | 3183 | 51 | None | -602 | 28 | Human | 5.5 | pAC50 | = | 5.5 | Functional | ChEMBL | 284 | 3 | 0 | 3 | 4.2 | CN(C(CN1c2ccccc2Sc2c1cccc2)C)C | 10.1038/s41467-023-40064-9 | ||
| 7282 | 3183 | 51 | None | -602 | 28 | Human | 5.5 | pAC50 | = | 5.5 | Functional | ChEMBL | 284 | 3 | 0 | 3 | 4.2 | CN(C(CN1c2ccccc2Sc2c1cccc2)C)C | 10.1038/s41467-023-40064-9 | ||
| CHEMBL643 | 3183 | 51 | None | -602 | 28 | Human | 5.5 | pAC50 | = | 5.5 | Functional | ChEMBL | 284 | 3 | 0 | 3 | 4.2 | CN(C(CN1c2ccccc2Sc2c1cccc2)C)C | 10.1038/s41467-023-40064-9 | ||
| DB01069 | 3183 | 51 | None | -602 | 28 | Human | 5.5 | pAC50 | = | 5.5 | Functional | ChEMBL | 284 | 3 | 0 | 3 | 4.2 | CN(C(CN1c2ccccc2Sc2c1cccc2)C)C | 10.1038/s41467-023-40064-9 | ||
| 44112 | 121290 | 48 | None | -269 | 12 | Human | 5.5 | pAC50 | = | 5.5 | Functional | ChEMBL | 380 | 7 | 2 | 4 | 4.5 | Cc1cc2c(OCC(CNC(C)(C)C)OC(=O)c3ccccc3)cccc2[nH]1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL357995 | 121290 | 48 | None | -269 | 12 | Human | 5.5 | pAC50 | = | 5.5 | Functional | ChEMBL | 380 | 7 | 2 | 4 | 4.5 | Cc1cc2c(OCC(CNC(C)(C)C)OC(=O)c3ccccc3)cccc2[nH]1 | 10.1038/s41467-023-40064-9 | ||
| 2726 | 919 | 68 | None | -501 | 42 | Human | 5.5 | pAC50 | = | 5.5 | Functional | ChEMBL | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | 10.1038/s41467-023-40064-9 | ||
| 621 | 919 | 68 | None | -501 | 42 | Human | 5.5 | pAC50 | = | 5.5 | Functional | ChEMBL | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | 10.1038/s41467-023-40064-9 | ||
| 83 | 919 | 68 | None | -501 | 42 | Human | 5.5 | pAC50 | = | 5.5 | Functional | ChEMBL | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | 10.1038/s41467-023-40064-9 | ||
| CHEMBL71 | 919 | 68 | None | -501 | 42 | Human | 5.5 | pAC50 | = | 5.5 | Functional | ChEMBL | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | 10.1038/s41467-023-40064-9 | ||
| DB00477 | 919 | 68 | None | -501 | 42 | Human | 5.5 | pAC50 | = | 5.5 | Functional | ChEMBL | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | 10.1038/s41467-023-40064-9 | ||
| 191 | 403 | 98 | None | -524 | 36 | Human | 5.5 | pAC50 | = | 5.5 | Functional | ChEMBL | 313 | 0 | 1 | 4 | 3.4 | Clc1ccc2c(c1)C(=Nc1c(O2)cccc1)N1CCNCC1 | 10.1038/s41467-023-40064-9 | ||
| 201 | 403 | 98 | None | -524 | 36 | Human | 5.5 | pAC50 | = | 5.5 | Functional | ChEMBL | 313 | 0 | 1 | 4 | 3.4 | Clc1ccc2c(c1)C(=Nc1c(O2)cccc1)N1CCNCC1 | 10.1038/s41467-023-40064-9 | ||
| 2170 | 403 | 98 | None | -524 | 36 | Human | 5.5 | pAC50 | = | 5.5 | Functional | ChEMBL | 313 | 0 | 1 | 4 | 3.4 | Clc1ccc2c(c1)C(=Nc1c(O2)cccc1)N1CCNCC1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1113 | 403 | 98 | None | -524 | 36 | Human | 5.5 | pAC50 | = | 5.5 | Functional | ChEMBL | 313 | 0 | 1 | 4 | 3.4 | Clc1ccc2c(c1)C(=Nc1c(O2)cccc1)N1CCNCC1 | 10.1038/s41467-023-40064-9 | ||
| DB00543 | 403 | 98 | None | -524 | 36 | Human | 5.5 | pAC50 | = | 5.5 | Functional | ChEMBL | 313 | 0 | 1 | 4 | 3.4 | Clc1ccc2c(c1)C(=Nc1c(O2)cccc1)N1CCNCC1 | 10.1038/s41467-023-40064-9 | ||
| 228 | 445 | 28 | None | -758 | 20 | Human | 5.5 | pAC50 | = | 5.5 | Functional | ChEMBL | 267 | 0 | 2 | 3 | 2.9 | CN1CCc2c3[C@H]1Cc1ccc(c(c1c3ccc2)O)O | 10.1038/s41467-023-40064-9 | ||
| 33 | 445 | 28 | None | -758 | 20 | Human | 5.5 | pAC50 | = | 5.5 | Functional | ChEMBL | 267 | 0 | 2 | 3 | 2.9 | CN1CCc2c3[C@H]1Cc1ccc(c(c1c3ccc2)O)O | 10.1038/s41467-023-40064-9 | ||
| 6005 | 445 | 28 | None | -758 | 20 | Human | 5.5 | pAC50 | = | 5.5 | Functional | ChEMBL | 267 | 0 | 2 | 3 | 2.9 | CN1CCc2c3[C@H]1Cc1ccc(c(c1c3ccc2)O)O | 10.1038/s41467-023-40064-9 | ||
| CHEMBL53 | 445 | 28 | None | -758 | 20 | Human | 5.5 | pAC50 | = | 5.5 | Functional | ChEMBL | 267 | 0 | 2 | 3 | 2.9 | CN1CCc2c3[C@H]1Cc1ccc(c(c1c3ccc2)O)O | 10.1038/s41467-023-40064-9 | ||
| DB00714 | 445 | 28 | None | -758 | 20 | Human | 5.5 | pAC50 | = | 5.5 | Functional | ChEMBL | 267 | 0 | 2 | 3 | 2.9 | CN1CCc2c3[C@H]1Cc1ccc(c(c1c3ccc2)O)O | 10.1038/s41467-023-40064-9 | ||
| 4413 | 98073 | 57 | None | 1 | 15 | Human | 5.5 | pAC50 | = | 5.5 | Functional | ChEMBL | 347 | 4 | 5 | 4 | 2.6 | N=C(N)Nc1ccc(C(=O)Oc2ccc3cc(C(=N)N)ccc3c2)cc1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL273264 | 98073 | 57 | None | 1 | 15 | Human | 5.5 | pAC50 | = | 5.5 | Functional | ChEMBL | 347 | 4 | 5 | 4 | 2.6 | N=C(N)Nc1ccc(C(=O)Oc2ccc3cc(C(=N)N)ccc3c2)cc1 | 10.1038/s41467-023-40064-9 | ||
| 60753 | 194684 | 40 | None | 1 | 6 | Human | 5.5 | pAC50 | = | 5.5 | Functional | ChEMBL | 384 | 14 | 2 | 4 | 4.2 | CCCCCCCN(CC)CCCC(O)c1ccc(NS(C)(=O)=O)cc1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL533 | 194684 | 40 | None | 1 | 6 | Human | 5.5 | pAC50 | = | 5.5 | Functional | ChEMBL | 384 | 14 | 2 | 4 | 4.2 | CCCCCCCN(CC)CCCC(O)c1ccc(NS(C)(=O)=O)cc1 | 10.1038/s41467-023-40064-9 | ||
| 11079 | 2733 | 63 | None | -13 | 7 | Human | 6.5 | pAC50 | = | 6.5 | Functional | ChEMBL | 210 | 2 | 1 | 2 | 2.4 | C1CN=C(N1)Cc1cccc2c1cccc2 | 10.1038/s41467-023-40064-9 | ||
| 3369 | 2733 | 63 | None | -13 | 7 | Human | 6.5 | pAC50 | = | 6.5 | Functional | ChEMBL | 210 | 2 | 1 | 2 | 2.4 | C1CN=C(N1)Cc1cccc2c1cccc2 | 10.1038/s41467-023-40064-9 | ||
| 4436 | 2733 | 63 | None | -13 | 7 | Human | 6.5 | pAC50 | = | 6.5 | Functional | ChEMBL | 210 | 2 | 1 | 2 | 2.4 | C1CN=C(N1)Cc1cccc2c1cccc2 | 10.1038/s41467-023-40064-9 | ||
| 5509 | 2733 | 63 | None | -13 | 7 | Human | 6.5 | pAC50 | = | 6.5 | Functional | ChEMBL | 210 | 2 | 1 | 2 | 2.4 | C1CN=C(N1)Cc1cccc2c1cccc2 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL761 | 2733 | 63 | None | -13 | 7 | Human | 6.5 | pAC50 | = | 6.5 | Functional | ChEMBL | 210 | 2 | 1 | 2 | 2.4 | C1CN=C(N1)Cc1cccc2c1cccc2 | 10.1038/s41467-023-40064-9 | ||
| DB06711 | 2733 | 63 | None | -13 | 7 | Human | 6.5 | pAC50 | = | 6.5 | Functional | ChEMBL | 210 | 2 | 1 | 2 | 2.4 | C1CN=C(N1)Cc1cccc2c1cccc2 | 10.1038/s41467-023-40064-9 | ||
| 2865 | 4143 | 73 | None | -138 | 20 | Human | 6.5 | pAC50 | = | 6.5 | Functional | ChEMBL | 412 | 4 | 1 | 5 | 3.8 | O=C1Nc2c(C1)cc(c(c2)Cl)CCN1CCN(CC1)c1nsc2c1cccc2 | 10.1038/s41467-023-40064-9 | ||
| 59 | 4143 | 73 | None | -138 | 20 | Human | 6.5 | pAC50 | = | 6.5 | Functional | ChEMBL | 412 | 4 | 1 | 5 | 3.8 | O=C1Nc2c(C1)cc(c(c2)Cl)CCN1CCN(CC1)c1nsc2c1cccc2 | 10.1038/s41467-023-40064-9 | ||
| 60854 | 4143 | 73 | None | -138 | 20 | Human | 6.5 | pAC50 | = | 6.5 | Functional | ChEMBL | 412 | 4 | 1 | 5 | 3.8 | O=C1Nc2c(C1)cc(c(c2)Cl)CCN1CCN(CC1)c1nsc2c1cccc2 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL708 | 4143 | 73 | None | -138 | 20 | Human | 6.5 | pAC50 | = | 6.5 | Functional | ChEMBL | 412 | 4 | 1 | 5 | 3.8 | O=C1Nc2c(C1)cc(c(c2)Cl)CCN1CCN(CC1)c1nsc2c1cccc2 | 10.1038/s41467-023-40064-9 | ||
| DB00246 | 4143 | 73 | None | -138 | 20 | Human | 6.5 | pAC50 | = | 6.5 | Functional | ChEMBL | 412 | 4 | 1 | 5 | 3.8 | O=C1Nc2c(C1)cc(c(c2)Cl)CCN1CCN(CC1)c1nsc2c1cccc2 | 10.1038/s41467-023-40064-9 | ||
| 2351 | 4300 | 49 | None | -1 | 22 | Human | 5.5 | pAC50 | = | 5.5 | Functional | ChEMBL | 366 | 10 | 0 | 3 | 4.8 | CC(C)COCC(CN(Cc1ccccc1)c1ccccc1)N1CCCC1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1008 | 4300 | 49 | None | -1 | 22 | Human | 5.5 | pAC50 | = | 5.5 | Functional | ChEMBL | 366 | 10 | 0 | 3 | 4.8 | CC(C)COCC(CN(Cc1ccccc1)c1ccccc1)N1CCCC1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1257078 | 4300 | 49 | None | -1 | 22 | Human | 5.5 | pAC50 | = | 5.5 | Functional | ChEMBL | 366 | 10 | 0 | 3 | 4.8 | CC(C)COCC(CN(Cc1ccccc1)c1ccccc1)N1CCCC1 | 10.1038/s41467-023-40064-9 | ||
| 3157 | 1470 | 71 | None | -446 | 21 | Human | 6.5 | pAC50 | = | 6.5 | Functional | ChEMBL | 451 | 4 | 2 | 8 | 1.5 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1COc2c(O1)cccc2 | 10.1038/s41467-023-40064-9 | ||
| 7170 | 1470 | 71 | None | -446 | 21 | Human | 6.5 | pAC50 | = | 6.5 | Functional | ChEMBL | 451 | 4 | 2 | 8 | 1.5 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1COc2c(O1)cccc2 | 10.1038/s41467-023-40064-9 | ||
| 954 | 1470 | 71 | None | -446 | 21 | Human | 6.5 | pAC50 | = | 6.5 | Functional | ChEMBL | 451 | 4 | 2 | 8 | 1.5 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1COc2c(O1)cccc2 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL707 | 1470 | 71 | None | -446 | 21 | Human | 6.5 | pAC50 | = | 6.5 | Functional | ChEMBL | 451 | 4 | 2 | 8 | 1.5 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1COc2c(O1)cccc2 | 10.1038/s41467-023-40064-9 | ||
| DB00590 | 1470 | 71 | None | -446 | 21 | Human | 6.5 | pAC50 | = | 6.5 | Functional | ChEMBL | 451 | 4 | 2 | 8 | 1.5 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1COc2c(O1)cccc2 | 10.1038/s41467-023-40064-9 | ||
| 100 | 3805 | 58 | None | -162 | 38 | Human | 5.5 | pAC50 | = | 5.5 | Functional | ChEMBL | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | 10.1038/s41467-023-40064-9 | ||
| 2637 | 3805 | 58 | None | -162 | 38 | Human | 5.5 | pAC50 | = | 5.5 | Functional | ChEMBL | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | 10.1038/s41467-023-40064-9 | ||
| 5452 | 3805 | 58 | None | -162 | 38 | Human | 5.5 | pAC50 | = | 5.5 | Functional | ChEMBL | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL479 | 3805 | 58 | None | -162 | 38 | Human | 5.5 | pAC50 | = | 5.5 | Functional | ChEMBL | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | 10.1038/s41467-023-40064-9 | ||
| DB00679 | 3805 | 58 | None | -162 | 38 | Human | 5.5 | pAC50 | = | 5.5 | Functional | ChEMBL | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | 10.1038/s41467-023-40064-9 | ||
| 3584 | 3777 | 64 | None | -1548 | 11 | Human | 6.5 | pAC50 | = | 6.5 | Functional | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1038/s41467-023-40064-9 | ||
| 5401 | 3777 | 64 | None | -1548 | 11 | Human | 6.5 | pAC50 | = | 6.5 | Functional | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1038/s41467-023-40064-9 | ||
| 7302 | 3777 | 64 | None | -1548 | 11 | Human | 6.5 | pAC50 | = | 6.5 | Functional | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL611 | 3777 | 64 | None | -1548 | 11 | Human | 6.5 | pAC50 | = | 6.5 | Functional | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1038/s41467-023-40064-9 | ||
| DB01162 | 3777 | 64 | None | -1548 | 11 | Human | 6.5 | pAC50 | = | 6.5 | Functional | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1038/s41467-023-40064-9 | ||
| 213 | 3853 | 55 | None | -107 | 22 | Human | 6.5 | pAC50 | = | 6.5 | Functional | ChEMBL | 371 | 5 | 0 | 6 | 2.4 | Clc1cccc(c1)N1CCN(CC1)CCCn1nc2n(c1=O)cccc2 | 10.1038/s41467-023-40064-9 | ||
| 2717 | 3853 | 55 | None | -107 | 22 | Human | 6.5 | pAC50 | = | 6.5 | Functional | ChEMBL | 371 | 5 | 0 | 6 | 2.4 | Clc1cccc(c1)N1CCN(CC1)CCCn1nc2n(c1=O)cccc2 | 10.1038/s41467-023-40064-9 | ||
| 5533 | 3853 | 55 | None | -107 | 22 | Human | 6.5 | pAC50 | = | 6.5 | Functional | ChEMBL | 371 | 5 | 0 | 6 | 2.4 | Clc1cccc(c1)N1CCN(CC1)CCCn1nc2n(c1=O)cccc2 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL621 | 3853 | 55 | None | -107 | 22 | Human | 6.5 | pAC50 | = | 6.5 | Functional | ChEMBL | 371 | 5 | 0 | 6 | 2.4 | Clc1cccc(c1)N1CCN(CC1)CCCn1nc2n(c1=O)cccc2 | 10.1038/s41467-023-40064-9 | ||
| DB00656 | 3853 | 55 | None | -107 | 22 | Human | 6.5 | pAC50 | = | 6.5 | Functional | ChEMBL | 371 | 5 | 0 | 6 | 2.4 | Clc1cccc(c1)N1CCN(CC1)CCCn1nc2n(c1=O)cccc2 | 10.1038/s41467-023-40064-9 | ||
| 134 | 2514 | 24 | None | -1819 | 18 | Human | 5.5 | pAC50 | = | 5.5 | Functional | ChEMBL | 353 | 4 | 2 | 4 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)cn3C)CO | 10.1038/s41467-023-40064-9 | ||
| 1775 | 2514 | 24 | None | -1819 | 18 | Human | 5.5 | pAC50 | = | 5.5 | Functional | ChEMBL | 353 | 4 | 2 | 4 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)cn3C)CO | 10.1038/s41467-023-40064-9 | ||
| 9681 | 2514 | 24 | None | -1819 | 18 | Human | 5.5 | pAC50 | = | 5.5 | Functional | ChEMBL | 353 | 4 | 2 | 4 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)cn3C)CO | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1065 | 2514 | 24 | None | -1819 | 18 | Human | 5.5 | pAC50 | = | 5.5 | Functional | ChEMBL | 353 | 4 | 2 | 4 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)cn3C)CO | 10.1038/s41467-023-40064-9 | ||
| DB00247 | 2514 | 24 | None | -1819 | 18 | Human | 5.5 | pAC50 | = | 5.5 | Functional | ChEMBL | 353 | 4 | 2 | 4 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)cn3C)CO | 10.1038/s41467-023-40064-9 | ||
| 11658860 | 2344 | 51 | None | -316 | 11 | Human | 5.4 | pAC50 | = | 5.4 | Functional | ChEMBL | 195 | 0 | 1 | 1 | 2.6 | Clc1ccc2c(c1)[C@@H](C)CNCC2 | 10.1038/s41467-023-40064-9 | ||
| 2941 | 2344 | 51 | None | -316 | 11 | Human | 5.4 | pAC50 | = | 5.4 | Functional | ChEMBL | 195 | 0 | 1 | 1 | 2.6 | Clc1ccc2c(c1)[C@@H](C)CNCC2 | 10.1038/s41467-023-40064-9 | ||
| 4374 | 2344 | 51 | None | -316 | 11 | Human | 5.4 | pAC50 | = | 5.4 | Functional | ChEMBL | 195 | 0 | 1 | 1 | 2.6 | Clc1ccc2c(c1)[C@@H](C)CNCC2 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL360328 | 2344 | 51 | None | -316 | 11 | Human | 5.4 | pAC50 | = | 5.4 | Functional | ChEMBL | 195 | 0 | 1 | 1 | 2.6 | Clc1ccc2c(c1)[C@@H](C)CNCC2 | 10.1038/s41467-023-40064-9 | ||
| DB04871 | 2344 | 51 | None | -316 | 11 | Human | 5.4 | pAC50 | = | 5.4 | Functional | ChEMBL | 195 | 0 | 1 | 1 | 2.6 | Clc1ccc2c(c1)[C@@H](C)CNCC2 | 10.1038/s41467-023-40064-9 | ||
| 2470 | 3653 | 50 | None | -6165 | 23 | Human | 6.4 | pAC50 | = | 6.4 | Functional | ChEMBL | 395 | 6 | 1 | 4 | 3.2 | Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | 10.1038/s41467-023-40064-9 | ||
| 3300 | 3653 | 50 | None | -6165 | 23 | Human | 6.4 | pAC50 | = | 6.4 | Functional | ChEMBL | 395 | 6 | 1 | 4 | 3.2 | Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | 10.1038/s41467-023-40064-9 | ||
| 5265 | 3653 | 50 | None | -6165 | 23 | Human | 6.4 | pAC50 | = | 6.4 | Functional | ChEMBL | 395 | 6 | 1 | 4 | 3.2 | Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | 10.1038/s41467-023-40064-9 | ||
| 99 | 3653 | 50 | None | -6165 | 23 | Human | 6.4 | pAC50 | = | 6.4 | Functional | ChEMBL | 395 | 6 | 1 | 4 | 3.2 | Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL267930 | 3653 | 50 | None | -6165 | 23 | Human | 6.4 | pAC50 | = | 6.4 | Functional | ChEMBL | 395 | 6 | 1 | 4 | 3.2 | Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | 10.1038/s41467-023-40064-9 | ||
| 19675 | 51670 | 43 | None | -28 | 15 | Human | 6.4 | pAC50 | = | 6.4 | Functional | ChEMBL | 410 | 7 | 1 | 5 | 5.0 | CC(=O)c1ccc2c(c1)N(CCCN1CCC(CCO)CC1)c1ccccc1S2 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1584 | 51670 | 43 | None | -28 | 15 | Human | 6.4 | pAC50 | = | 6.4 | Functional | ChEMBL | 410 | 7 | 1 | 5 | 5.0 | CC(=O)c1ccc2c(c1)N(CCCN1CCC(CCO)CC1)c1ccccc1S2 | 10.1038/s41467-023-40064-9 | ||
| 4756 | 16649 | 50 | None | -1 | 16 | Human | 5.4 | pAC50 | = | 5.4 | Functional | ChEMBL | 213 | 2 | 2 | 5 | 2.7 | Nc1ccc(/N=N/c2ccccc2)c(N)n1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1201022 | 16649 | 50 | None | -1 | 16 | Human | 5.4 | pAC50 | = | 5.4 | Functional | ChEMBL | 213 | 2 | 2 | 5 | 2.7 | Nc1ccc(/N=N/c2ccccc2)c(N)n1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1242 | 16649 | 50 | None | -1 | 16 | Human | 5.4 | pAC50 | = | 5.4 | Functional | ChEMBL | 213 | 2 | 2 | 5 | 2.7 | Nc1ccc(/N=N/c2ccccc2)c(N)n1 | 10.1038/s41467-023-40064-9 | ||
| 5210 | 33338 | 48 | None | -1 | 8 | Human | 5.4 | pAC50 | = | 5.4 | Functional | ChEMBL | 279 | 5 | 0 | 1 | 4.7 | CC(C)CC(N(C)C)C1(c2ccc(Cl)cc2)CCC1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1200765 | 33338 | 48 | None | -1 | 8 | Human | 5.4 | pAC50 | = | 5.4 | Functional | ChEMBL | 279 | 5 | 0 | 1 | 4.7 | CC(C)CC(N(C)C)C1(c2ccc(Cl)cc2)CCC1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1419 | 33338 | 48 | None | -1 | 8 | Human | 5.4 | pAC50 | = | 5.4 | Functional | ChEMBL | 279 | 5 | 0 | 1 | 4.7 | CC(C)CC(N(C)C)C1(c2ccc(Cl)cc2)CCC1 | 10.1038/s41467-023-40064-9 | ||
| 2895 | 203592 | 41 | None | -186 | 15 | Human | 5.4 | pAC50 | = | 5.4 | Functional | ChEMBL | 275 | 3 | 0 | 1 | 4.6 | CN(C)CCC=C1c2ccccc2C=Cc2ccccc21 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL669 | 203592 | 41 | None | -186 | 15 | Human | 5.4 | pAC50 | = | 5.4 | Functional | ChEMBL | 275 | 3 | 0 | 1 | 4.6 | CN(C)CCC=C1c2ccccc2C=Cc2ccccc21 | 10.1038/s41467-023-40064-9 | ||
| 68617 | 205527 | 62 | None | -12 | 30 | Human | 5.4 | pAC50 | = | 5.4 | Functional | ChEMBL | 305 | 2 | 1 | 1 | 5.2 | CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc21 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1709 | 205527 | 62 | None | -12 | 30 | Human | 5.4 | pAC50 | = | 5.4 | Functional | ChEMBL | 305 | 2 | 1 | 1 | 5.2 | CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc21 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL809 | 205527 | 62 | None | -12 | 30 | Human | 5.4 | pAC50 | = | 5.4 | Functional | ChEMBL | 305 | 2 | 1 | 1 | 5.2 | CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc21 | 10.1038/s41467-023-40064-9 | ||
| 2407 | 3372 | 76 | None | -120 | 17 | Human | 6.4 | pAC50 | = | 6.4 | Functional | ChEMBL | 315 | 6 | 1 | 3 | 4.3 | CCCN([C@H]1CCc2c(C1)cccc2O)CCc1cccs1 | 10.1038/s41467-023-40064-9 | ||
| 59227 | 3372 | 76 | None | -120 | 17 | Human | 6.4 | pAC50 | = | 6.4 | Functional | ChEMBL | 315 | 6 | 1 | 3 | 4.3 | CCCN([C@H]1CCc2c(C1)cccc2O)CCc1cccs1 | 10.1038/s41467-023-40064-9 | ||
| 941 | 3372 | 76 | None | -120 | 17 | Human | 6.4 | pAC50 | = | 6.4 | Functional | ChEMBL | 315 | 6 | 1 | 3 | 4.3 | CCCN([C@H]1CCc2c(C1)cccc2O)CCc1cccs1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1303 | 3372 | 76 | None | -120 | 17 | Human | 6.4 | pAC50 | = | 6.4 | Functional | ChEMBL | 315 | 6 | 1 | 3 | 4.3 | CCCN([C@H]1CCc2c(C1)cccc2O)CCc1cccs1 | 10.1038/s41467-023-40064-9 | ||
| DB05271 | 3372 | 76 | None | -120 | 17 | Human | 6.4 | pAC50 | = | 6.4 | Functional | ChEMBL | 315 | 6 | 1 | 3 | 4.3 | CCCN([C@H]1CCc2c(C1)cccc2O)CCc1cccs1 | 10.1038/s41467-023-40064-9 | ||
| 6337614 | 12996 | 54 | None | -3 | 6 | Human | 5.4 | pAC50 | = | 5.4 | Functional | ChEMBL | 296 | 1 | 0 | 2 | 2.7 | O=C1c2cccc3c2[C@H](CCC3)CN1[C@@H]1CN2CCC1CC2 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1189679 | 12996 | 54 | None | -3 | 6 | Human | 5.4 | pAC50 | = | 5.4 | Functional | ChEMBL | 296 | 1 | 0 | 2 | 2.7 | O=C1c2cccc3c2[C@H](CCC3)CN1[C@@H]1CN2CCC1CC2 | 10.1038/s41467-023-40064-9 | ||
| 319 | 1324 | 44 | None | -407 | 18 | Human | 6.4 | pAC50 | = | 6.4 | Functional | ChEMBL | 426 | 7 | 1 | 3 | 4.0 | NC(=O)C(c1ccccc1)(c1ccccc1)[C@@H]1CCN(C1)CCc1ccc2c(c1)CCO2 | 10.1038/s41467-023-40064-9 | ||
| 321 | 1324 | 44 | None | -407 | 18 | Human | 6.4 | pAC50 | = | 6.4 | Functional | ChEMBL | 426 | 7 | 1 | 3 | 4.0 | NC(=O)C(c1ccccc1)(c1ccccc1)[C@@H]1CCN(C1)CCc1ccc2c(c1)CCO2 | 10.1038/s41467-023-40064-9 | ||
| 444031 | 1324 | 44 | None | -407 | 18 | Human | 6.4 | pAC50 | = | 6.4 | Functional | ChEMBL | 426 | 7 | 1 | 3 | 4.0 | NC(=O)C(c1ccccc1)(c1ccccc1)[C@@H]1CCN(C1)CCc1ccc2c(c1)CCO2 | 10.1038/s41467-023-40064-9 | ||
| 784 | 1324 | 44 | None | -407 | 18 | Human | 6.4 | pAC50 | = | 6.4 | Functional | ChEMBL | 426 | 7 | 1 | 3 | 4.0 | NC(=O)C(c1ccccc1)(c1ccccc1)[C@@H]1CCN(C1)CCc1ccc2c(c1)CCO2 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1346 | 1324 | 44 | None | -407 | 18 | Human | 6.4 | pAC50 | = | 6.4 | Functional | ChEMBL | 426 | 7 | 1 | 3 | 4.0 | NC(=O)C(c1ccccc1)(c1ccccc1)[C@@H]1CCN(C1)CCc1ccc2c(c1)CCO2 | 10.1038/s41467-023-40064-9 | ||
| DB00496 | 1324 | 44 | None | -407 | 18 | Human | 6.4 | pAC50 | = | 6.4 | Functional | ChEMBL | 426 | 7 | 1 | 3 | 4.0 | NC(=O)C(c1ccccc1)(c1ccccc1)[C@@H]1CCN(C1)CCc1ccc2c(c1)CCO2 | 10.1038/s41467-023-40064-9 | ||
| 1593 | 2340 | 66 | None | -1 | 6 | Human | 6.4 | pAC50 | = | 6.4 | Functional | ChEMBL | 258 | 3 | 1 | 3 | 2.8 | CC(C1=NCCN1)Oc1c(Cl)cccc1Cl | 10.1038/s41467-023-40064-9 | ||
| 30668 | 2340 | 66 | None | -1 | 6 | Human | 6.4 | pAC50 | = | 6.4 | Functional | ChEMBL | 258 | 3 | 1 | 3 | 2.8 | CC(C1=NCCN1)Oc1c(Cl)cccc1Cl | 10.1038/s41467-023-40064-9 | ||
| 9868 | 2340 | 66 | None | -1 | 6 | Human | 6.4 | pAC50 | = | 6.4 | Functional | ChEMBL | 258 | 3 | 1 | 3 | 2.8 | CC(C1=NCCN1)Oc1c(Cl)cccc1Cl | 10.1038/s41467-023-40064-9 | ||
| CHEMBL17860 | 2340 | 66 | None | -1 | 6 | Human | 6.4 | pAC50 | = | 6.4 | Functional | ChEMBL | 258 | 3 | 1 | 3 | 2.8 | CC(C1=NCCN1)Oc1c(Cl)cccc1Cl | 10.1038/s41467-023-40064-9 | ||
| DB04948 | 2340 | 66 | None | -1 | 6 | Human | 6.4 | pAC50 | = | 6.4 | Functional | ChEMBL | 258 | 3 | 1 | 3 | 2.8 | CC(C1=NCCN1)Oc1c(Cl)cccc1Cl | 10.1038/s41467-023-40064-9 | ||
| 3149 | 12614 | 15 | None | -11 | 26 | Human | 5.4 | pAC50 | = | 5.4 | Functional | ChEMBL | 334 | 15 | 0 | 1 | 6.1 | CCCCCCCCCCCC[N+](C)(C)CCOc1ccccc1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1187011 | 12614 | 15 | None | -11 | 26 | Human | 5.4 | pAC50 | = | 5.4 | Functional | ChEMBL | 334 | 15 | 0 | 1 | 6.1 | CCCCCCCCCCCC[N+](C)(C)CCOc1ccccc1 | 10.1038/s41467-023-40064-9 | ||
| 3949 | 100614 | 50 | None | -4 | 16 | Human | 5.4 | pAC50 | = | 5.4 | Functional | ChEMBL | 468 | 8 | 0 | 5 | 4.9 | COc1ccc(CN2CCN(C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)c(OC)c1OC | 10.1038/s41467-023-40064-9 | ||
| CHEMBL29188 | 100614 | 50 | None | -4 | 16 | Human | 5.4 | pAC50 | = | 5.4 | Functional | ChEMBL | 468 | 8 | 0 | 5 | 4.9 | COc1ccc(CN2CCN(C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)c(OC)c1OC | 10.1038/s41467-023-40064-9 | ||
| 2520 | 204008 | 70 | None | -38 | 20 | Human | 5.4 | pAC50 | = | 5.4 | Functional | ChEMBL | 454 | 13 | 0 | 6 | 5.1 | COc1ccc(CCN(C)CCCC(C#N)(c2ccc(OC)c(OC)c2)C(C)C)cc1OC | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1280 | 204008 | 70 | None | -38 | 20 | Human | 5.4 | pAC50 | = | 5.4 | Functional | ChEMBL | 454 | 13 | 0 | 6 | 5.1 | COc1ccc(CCN(C)CCCC(C#N)(c2ccc(OC)c(OC)c2)C(C)C)cc1OC | 10.1038/s41467-023-40064-9 | ||
| CHEMBL6966 | 204008 | 70 | None | -38 | 20 | Human | 5.4 | pAC50 | = | 5.4 | Functional | ChEMBL | 454 | 13 | 0 | 6 | 5.1 | COc1ccc(CCN(C)CCCC(C#N)(c2ccc(OC)c(OC)c2)C(C)C)cc1OC | 10.1038/s41467-023-40064-9 | ||
| 5453 | 203619 | 102 | None | -100 | 14 | Human | 5.4 | pAC50 | = | 5.4 | Functional | ChEMBL | 189 | 3 | 0 | 1 | 0.2 | S=P(N1CC1)(N1CC1)N1CC1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL671 | 203619 | 102 | None | -100 | 14 | Human | 5.4 | pAC50 | = | 5.4 | Functional | ChEMBL | 189 | 3 | 0 | 1 | 0.2 | S=P(N1CC1)(N1CC1)N1CC1 | 10.1038/s41467-023-40064-9 | ||
| 2398 | 954 | 62 | None | -1819 | 36 | Human | 5.4 | pAC50 | = | 5.4 | Functional | ChEMBL | 314 | 4 | 0 | 2 | 4.5 | CN(CCCN1c2ccccc2CCc2c1cc(Cl)cc2)C | 10.1038/s41467-023-40064-9 | ||
| 2801 | 954 | 62 | None | -1819 | 36 | Human | 5.4 | pAC50 | = | 5.4 | Functional | ChEMBL | 314 | 4 | 0 | 2 | 4.5 | CN(CCCN1c2ccccc2CCc2c1cc(Cl)cc2)C | 10.1038/s41467-023-40064-9 | ||
| 701 | 954 | 62 | None | -1819 | 36 | Human | 5.4 | pAC50 | = | 5.4 | Functional | ChEMBL | 314 | 4 | 0 | 2 | 4.5 | CN(CCCN1c2ccccc2CCc2c1cc(Cl)cc2)C | 10.1038/s41467-023-40064-9 | ||
| CHEMBL415 | 954 | 62 | None | -1819 | 36 | Human | 5.4 | pAC50 | = | 5.4 | Functional | ChEMBL | 314 | 4 | 0 | 2 | 4.5 | CN(CCCN1c2ccccc2CCc2c1cc(Cl)cc2)C | 10.1038/s41467-023-40064-9 | ||
| DB01242 | 954 | 62 | None | -1819 | 36 | Human | 5.4 | pAC50 | = | 5.4 | Functional | ChEMBL | 314 | 4 | 0 | 2 | 4.5 | CN(CCCN1c2ccccc2CCc2c1cc(Cl)cc2)C | 10.1038/s41467-023-40064-9 | ||
| 4940 | 14470 | 35 | None | -151 | 15 | Human | 5.4 | pAC50 | = | 5.4 | Functional | ChEMBL | 340 | 5 | 0 | 4 | 4.8 | CCC(=O)c1ccc2c(c1)N(CC(C)N(C)C)c1ccccc1S2 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1201210 | 14470 | 35 | None | -151 | 15 | Human | 5.4 | pAC50 | = | 5.4 | Functional | ChEMBL | 340 | 5 | 0 | 4 | 4.8 | CCC(=O)c1ccc2c(c1)N(CC(C)N(C)C)c1ccccc1S2 | 10.1038/s41467-023-40064-9 | ||
| 5357 | 98736 | 41 | None | -407 | 5 | Human | 5.4 | pAC50 | = | 5.4 | Functional | ChEMBL | 354 | 7 | 1 | 5 | 1.7 | CCN1CCCC1CNC(=O)c1cc(S(=O)(=O)CC)ccc1OC | 10.1038/s41467-023-40064-9 | ||
| CHEMBL277945 | 98736 | 41 | None | -407 | 5 | Human | 5.4 | pAC50 | = | 5.4 | Functional | ChEMBL | 354 | 7 | 1 | 5 | 1.7 | CCN1CCCC1CNC(=O)c1cc(S(=O)(=O)CC)ccc1OC | 10.1038/s41467-023-40064-9 | ||
| 4452 | 2762 | 19 | None | -1513 | 21 | Human | 6.3 | pAC50 | = | 6.3 | Functional | ChEMBL | 387 | 6 | 2 | 4 | 3.8 | COc1cc(NC)c(cc1C(=O)NC1CCN(C1C)Cc1ccccc1)Cl | 10.1038/s41467-023-40064-9 | ||
| 983 | 2762 | 19 | None | -1513 | 21 | Human | 6.3 | pAC50 | = | 6.3 | Functional | ChEMBL | 387 | 6 | 2 | 4 | 3.8 | COc1cc(NC)c(cc1C(=O)NC1CCN(C1C)Cc1ccccc1)Cl | 10.1038/s41467-023-40064-9 | ||
| CHEMBL20734 | 2762 | 19 | None | -1513 | 21 | Human | 6.3 | pAC50 | = | 6.3 | Functional | ChEMBL | 387 | 6 | 2 | 4 | 3.8 | COc1cc(NC)c(cc1C(=O)NC1CCN(C1C)Cc1ccccc1)Cl | 10.1038/s41467-023-40064-9 | ||
| 209 | 3057 | 97 | None | -199 | 14 | Human | 6.3 | pAC50 | = | 6.3 | Functional | ChEMBL | 403 | 6 | 1 | 5 | 3.9 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(Cl)cc2 | 10.1038/s41467-023-40064-9 | ||
| 2113 | 3057 | 97 | None | -199 | 14 | Human | 6.3 | pAC50 | = | 6.3 | Functional | ChEMBL | 403 | 6 | 1 | 5 | 3.9 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(Cl)cc2 | 10.1038/s41467-023-40064-9 | ||
| 4748 | 3057 | 97 | None | -199 | 14 | Human | 6.3 | pAC50 | = | 6.3 | Functional | ChEMBL | 403 | 6 | 1 | 5 | 3.9 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(Cl)cc2 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL567 | 3057 | 97 | None | -199 | 14 | Human | 6.3 | pAC50 | = | 6.3 | Functional | ChEMBL | 403 | 6 | 1 | 5 | 3.9 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(Cl)cc2 | 10.1038/s41467-023-40064-9 | ||
| DB00850 | 3057 | 97 | None | -199 | 14 | Human | 6.3 | pAC50 | = | 6.3 | Functional | ChEMBL | 403 | 6 | 1 | 5 | 3.9 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(Cl)cc2 | 10.1038/s41467-023-40064-9 | ||
| 2351 | 3286 | 64 | None | -93 | 27 | Human | 6.3 | pAC50 | = | 6.3 | Functional | ChEMBL | 473 | 7 | 2 | 6 | 6.1 | Oc1ccc2c(c1)sc(c2C(=O)c1ccc(cc1)OCCN1CCCCC1)c1ccc(cc1)O | 10.1038/s41467-023-40064-9 | ||
| 2820 | 3286 | 64 | None | -93 | 27 | Human | 6.3 | pAC50 | = | 6.3 | Functional | ChEMBL | 473 | 7 | 2 | 6 | 6.1 | Oc1ccc2c(c1)sc(c2C(=O)c1ccc(cc1)OCCN1CCCCC1)c1ccc(cc1)O | 10.1038/s41467-023-40064-9 | ||
| 5035 | 3286 | 64 | None | -93 | 27 | Human | 6.3 | pAC50 | = | 6.3 | Functional | ChEMBL | 473 | 7 | 2 | 6 | 6.1 | Oc1ccc2c(c1)sc(c2C(=O)c1ccc(cc1)OCCN1CCCCC1)c1ccc(cc1)O | 10.1038/s41467-023-40064-9 | ||
| CHEMBL81 | 3286 | 64 | None | -93 | 27 | Human | 6.3 | pAC50 | = | 6.3 | Functional | ChEMBL | 473 | 7 | 2 | 6 | 6.1 | Oc1ccc2c(c1)sc(c2C(=O)c1ccc(cc1)OCCN1CCCCC1)c1ccc(cc1)O | 10.1038/s41467-023-40064-9 | ||
| DB00481 | 3286 | 64 | None | -93 | 27 | Human | 6.3 | pAC50 | = | 6.3 | Functional | ChEMBL | 473 | 7 | 2 | 6 | 6.1 | Oc1ccc2c(c1)sc(c2C(=O)c1ccc(cc1)OCCN1CCCCC1)c1ccc(cc1)O | 10.1038/s41467-023-40064-9 | ||
| 16362 | 3125 | 71 | None | -52 | 35 | Human | 6.3 | pAC50 | = | 6.3 | Functional | ChEMBL | 461 | 7 | 1 | 3 | 5.9 | Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC(CC1)n1c(=O)[nH]c2c1cccc2 | 10.1038/s41467-023-40064-9 | ||
| 2172 | 3125 | 71 | None | -52 | 35 | Human | 6.3 | pAC50 | = | 6.3 | Functional | ChEMBL | 461 | 7 | 1 | 3 | 5.9 | Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC(CC1)n1c(=O)[nH]c2c1cccc2 | 10.1038/s41467-023-40064-9 | ||
| 90 | 3125 | 71 | None | -52 | 35 | Human | 6.3 | pAC50 | = | 6.3 | Functional | ChEMBL | 461 | 7 | 1 | 3 | 5.9 | Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC(CC1)n1c(=O)[nH]c2c1cccc2 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1423 | 3125 | 71 | None | -52 | 35 | Human | 6.3 | pAC50 | = | 6.3 | Functional | ChEMBL | 461 | 7 | 1 | 3 | 5.9 | Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC(CC1)n1c(=O)[nH]c2c1cccc2 | 10.1038/s41467-023-40064-9 | ||
| DB01100 | 3125 | 71 | None | -52 | 35 | Human | 6.3 | pAC50 | = | 6.3 | Functional | ChEMBL | 461 | 7 | 1 | 3 | 5.9 | Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC(CC1)n1c(=O)[nH]c2c1cccc2 | 10.1038/s41467-023-40064-9 | ||
| 47641 | 202871 | 32 | None | -2 | 6 | Human | 5.3 | pAC50 | = | 5.3 | Functional | ChEMBL | 287 | 5 | 0 | 1 | 5.0 | CN(C/C=C/c1ccccc1)Cc1cccc2ccccc12 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL626 | 202871 | 32 | None | -2 | 6 | Human | 5.3 | pAC50 | = | 5.3 | Functional | ChEMBL | 287 | 5 | 0 | 1 | 5.0 | CN(C/C=C/c1ccccc1)Cc1cccc2ccccc12 | 10.1038/s41467-023-40064-9 | ||
| 2165 | 203783 | 71 | None | -3 | 8 | Human | 5.3 | pAC50 | = | 5.3 | Functional | ChEMBL | 355 | 6 | 2 | 4 | 5.2 | CCN(CC)Cc1cc(Nc2ccnc3cc(Cl)ccc23)ccc1O | 10.1038/s41467-023-40064-9 | ||
| 3647519 | 203783 | 71 | None | -3 | 8 | Human | 5.3 | pAC50 | = | 5.3 | Functional | ChEMBL | 355 | 6 | 2 | 4 | 5.2 | CCN(CC)Cc1cc(Nc2ccnc3cc(Cl)ccc23)ccc1O | 10.1038/s41467-023-40064-9 | ||
| CHEMBL682 | 203783 | 71 | None | -3 | 8 | Human | 5.3 | pAC50 | = | 5.3 | Functional | ChEMBL | 355 | 6 | 2 | 4 | 5.2 | CCN(CC)Cc1cc(Nc2ccnc3cc(Cl)ccc23)ccc1O | 10.1038/s41467-023-40064-9 | ||
| 1353 | 1911 | 93 | None | -1023 | 39 | Human | 5.3 | pAC50 | = | 5.3 | Functional | ChEMBL | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | 10.1038/s41467-023-40064-9 | ||
| 3559 | 1911 | 93 | None | -1023 | 39 | Human | 5.3 | pAC50 | = | 5.3 | Functional | ChEMBL | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | 10.1038/s41467-023-40064-9 | ||
| 86 | 1911 | 93 | None | -1023 | 39 | Human | 5.3 | pAC50 | = | 5.3 | Functional | ChEMBL | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | 10.1038/s41467-023-40064-9 | ||
| CHEMBL54 | 1911 | 93 | None | -1023 | 39 | Human | 5.3 | pAC50 | = | 5.3 | Functional | ChEMBL | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | 10.1038/s41467-023-40064-9 | ||
| DB00502 | 1911 | 93 | None | -1023 | 39 | Human | 5.3 | pAC50 | = | 5.3 | Functional | ChEMBL | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | 10.1038/s41467-023-40064-9 | ||
| 1212 | 1662 | 50 | None | -138 | 35 | Human | 6.3 | pAC50 | = | 6.3 | Functional | ChEMBL | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | 10.1038/s41467-023-40064-9 | ||
| 204 | 1662 | 50 | None | -138 | 35 | Human | 6.3 | pAC50 | = | 6.3 | Functional | ChEMBL | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | 10.1038/s41467-023-40064-9 | ||
| 3372 | 1662 | 50 | None | -138 | 35 | Human | 6.3 | pAC50 | = | 6.3 | Functional | ChEMBL | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | 10.1038/s41467-023-40064-9 | ||
| CHEMBL726 | 1662 | 50 | None | -138 | 35 | Human | 6.3 | pAC50 | = | 6.3 | Functional | ChEMBL | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | 10.1038/s41467-023-40064-9 | ||
| DB00623 | 1662 | 50 | None | -138 | 35 | Human | 6.3 | pAC50 | = | 6.3 | Functional | ChEMBL | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | 10.1038/s41467-023-40064-9 | ||
| 135 | 2532 | 43 | None | -34 | 33 | Human | 7.3 | pAC50 | = | 7.3 | Functional | ChEMBL | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | 10.1038/s41467-023-40064-9 | ||
| 1796 | 2532 | 43 | None | -34 | 33 | Human | 7.3 | pAC50 | = | 7.3 | Functional | ChEMBL | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | 10.1038/s41467-023-40064-9 | ||
| 4184 | 2532 | 43 | None | -34 | 33 | Human | 7.3 | pAC50 | = | 7.3 | Functional | ChEMBL | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL6437 | 2532 | 43 | None | -34 | 33 | Human | 7.3 | pAC50 | = | 7.3 | Functional | ChEMBL | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | 10.1038/s41467-023-40064-9 | ||
| DB06148 | 2532 | 43 | None | -34 | 33 | Human | 7.3 | pAC50 | = | 7.3 | Functional | ChEMBL | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | 10.1038/s41467-023-40064-9 | ||
| 2695 | 3841 | 81 | None | -6 | 6 | Human | 5.3 | pAC50 | = | 5.3 | Functional | ChEMBL | 160 | 2 | 1 | 2 | 1.2 | c1ccc(cc1)CC1=NCCN1 | 10.1038/s41467-023-40064-9 | ||
| 5504 | 3841 | 81 | None | -6 | 6 | Human | 5.3 | pAC50 | = | 5.3 | Functional | ChEMBL | 160 | 2 | 1 | 2 | 1.2 | c1ccc(cc1)CC1=NCCN1 | 10.1038/s41467-023-40064-9 | ||
| 7310 | 3841 | 81 | None | -6 | 6 | Human | 5.3 | pAC50 | = | 5.3 | Functional | ChEMBL | 160 | 2 | 1 | 2 | 1.2 | c1ccc(cc1)CC1=NCCN1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL770 | 3841 | 81 | None | -6 | 6 | Human | 5.3 | pAC50 | = | 5.3 | Functional | ChEMBL | 160 | 2 | 1 | 2 | 1.2 | c1ccc(cc1)CC1=NCCN1 | 10.1038/s41467-023-40064-9 | ||
| DB00797 | 3841 | 81 | None | -6 | 6 | Human | 5.3 | pAC50 | = | 5.3 | Functional | ChEMBL | 160 | 2 | 1 | 2 | 1.2 | c1ccc(cc1)CC1=NCCN1 | 10.1038/s41467-023-40064-9 | ||
| 240 | 944 | 43 | None | -371 | 22 | Human | 5.3 | pAC50 | = | 5.3 | Functional | ChEMBL | 465 | 9 | 2 | 6 | 3.4 | COC1CN(CCCOc2ccc(cc2)F)CCC1NC(=O)c1cc(Cl)c(cc1OC)N | 10.1038/s41467-023-40064-9 | ||
| 2769 | 944 | 43 | None | -371 | 22 | Human | 5.3 | pAC50 | = | 5.3 | Functional | ChEMBL | 465 | 9 | 2 | 6 | 3.4 | COC1CN(CCCOc2ccc(cc2)F)CCC1NC(=O)c1cc(Cl)c(cc1OC)N | 10.1038/s41467-023-40064-9 | ||
| 44279790 | 944 | 43 | None | -371 | 22 | Human | 5.3 | pAC50 | = | 5.3 | Functional | ChEMBL | 465 | 9 | 2 | 6 | 3.4 | COC1CN(CCCOc2ccc(cc2)F)CCC1NC(=O)c1cc(Cl)c(cc1OC)N | 10.1038/s41467-023-40064-9 | ||
| 660 | 944 | 43 | None | -371 | 22 | Human | 5.3 | pAC50 | = | 5.3 | Functional | ChEMBL | 465 | 9 | 2 | 6 | 3.4 | COC1CN(CCCOc2ccc(cc2)F)CCC1NC(=O)c1cc(Cl)c(cc1OC)N | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1729 | 944 | 43 | None | -371 | 22 | Human | 5.3 | pAC50 | = | 5.3 | Functional | ChEMBL | 465 | 9 | 2 | 6 | 3.4 | COC1CN(CCCOc2ccc(cc2)F)CCC1NC(=O)c1cc(Cl)c(cc1OC)N | 10.1038/s41467-023-40064-9 | ||
| CHEMBL560739 | 944 | 43 | None | -371 | 22 | Human | 5.3 | pAC50 | = | 5.3 | Functional | ChEMBL | 465 | 9 | 2 | 6 | 3.4 | COC1CN(CCCOc2ccc(cc2)F)CCC1NC(=O)c1cc(Cl)c(cc1OC)N | 10.1038/s41467-023-40064-9 | ||
| DB00604 | 944 | 43 | None | -371 | 22 | Human | 5.3 | pAC50 | = | 5.3 | Functional | ChEMBL | 465 | 9 | 2 | 6 | 3.4 | COC1CN(CCCOc2ccc(cc2)F)CCC1NC(=O)c1cc(Cl)c(cc1OC)N | 10.1038/s41467-023-40064-9 | ||
| 2995 | 204405 | 53 | None | -1905 | 18 | Human | 5.3 | pAC50 | = | 5.3 | Functional | ChEMBL | 266 | 4 | 1 | 2 | 3.5 | CNCCCN1c2ccccc2CCc2ccccc21 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1696 | 204405 | 53 | None | -1905 | 18 | Human | 5.3 | pAC50 | = | 5.3 | Functional | ChEMBL | 266 | 4 | 1 | 2 | 3.5 | CNCCCN1c2ccccc2CCc2ccccc21 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL72 | 204405 | 53 | None | -1905 | 18 | Human | 5.3 | pAC50 | = | 5.3 | Functional | ChEMBL | 266 | 4 | 1 | 2 | 3.5 | CNCCCN1c2ccccc2CCc2ccccc21 | 10.1038/s41467-023-40064-9 | ||
| 26987 | 949 | 33 | None | -190 | 34 | Human | 6.3 | pAC50 | = | 6.3 | Functional | ChEMBL | 343 | 6 | 0 | 2 | 5.1 | Clc1ccc(cc1)[C@@](c1ccccc1)(OCC[C@H]1CCCN1C)C | 10.1038/s41467-023-40064-9 | ||
| 6063 | 949 | 33 | None | -190 | 34 | Human | 6.3 | pAC50 | = | 6.3 | Functional | ChEMBL | 343 | 6 | 0 | 2 | 5.1 | Clc1ccc(cc1)[C@@](c1ccccc1)(OCC[C@H]1CCCN1C)C | 10.1038/s41467-023-40064-9 | ||
| 671 | 949 | 33 | None | -190 | 34 | Human | 6.3 | pAC50 | = | 6.3 | Functional | ChEMBL | 343 | 6 | 0 | 2 | 5.1 | Clc1ccc(cc1)[C@@](c1ccccc1)(OCC[C@H]1CCCN1C)C | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1626 | 949 | 33 | None | -190 | 34 | Human | 6.3 | pAC50 | = | 6.3 | Functional | ChEMBL | 343 | 6 | 0 | 2 | 5.1 | Clc1ccc(cc1)[C@@](c1ccccc1)(OCC[C@H]1CCCN1C)C | 10.1038/s41467-023-40064-9 | ||
| DB00283 | 949 | 33 | None | -190 | 34 | Human | 6.3 | pAC50 | = | 6.3 | Functional | ChEMBL | 343 | 6 | 0 | 2 | 5.1 | Clc1ccc(cc1)[C@@](c1ccccc1)(OCC[C@H]1CCCN1C)C | 10.1038/s41467-023-40064-9 | ||
| 20628 | 96548 | 28 | None | -13 | 13 | Human | 5.3 | pAC50 | = | 5.3 | Functional | ChEMBL | 324 | 6 | 1 | 5 | 3.7 | CN(C)CCCNc1c2ccccc2nc2cccc([N+](=O)[O-])c12 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL26291 | 96548 | 28 | None | -13 | 13 | Human | 5.3 | pAC50 | = | 5.3 | Functional | ChEMBL | 324 | 6 | 1 | 5 | 3.7 | CN(C)CCCNc1c2ccccc2nc2cccc([N+](=O)[O-])c12 | 10.1038/s41467-023-40064-9 | ||
| 2389 | 3331 | 118 | None | -23 | 29 | Human | 7.3 | pAC50 | = | 7.3 | Functional | ChEMBL | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | 10.1038/s41467-023-40064-9 | ||
| 5073 | 3331 | 118 | None | -23 | 29 | Human | 7.3 | pAC50 | = | 7.3 | Functional | ChEMBL | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | 10.1038/s41467-023-40064-9 | ||
| 96 | 3331 | 118 | None | -23 | 29 | Human | 7.3 | pAC50 | = | 7.3 | Functional | ChEMBL | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL85 | 3331 | 118 | None | -23 | 29 | Human | 7.3 | pAC50 | = | 7.3 | Functional | ChEMBL | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | 10.1038/s41467-023-40064-9 | ||
| DB00734 | 3331 | 118 | None | -23 | 29 | Human | 7.3 | pAC50 | = | 7.3 | Functional | ChEMBL | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | 10.1038/s41467-023-40064-9 | ||
| 2472 | 67284 | 48 | None | 3 | 4 | Human | 6.3 | pAC50 | = | 6.3 | Functional | ChEMBL | 373 | 5 | 1 | 7 | 2.1 | CCCC(=O)N1CCCN(c2nc(N)c3cc(OC)c(OC)cc3n2)CC1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL188185 | 67284 | 48 | None | 3 | 4 | Human | 6.3 | pAC50 | = | 6.3 | Functional | ChEMBL | 373 | 5 | 1 | 7 | 2.1 | CCCC(=O)N1CCCN(c2nc(N)c3cc(OC)c(OC)cc3n2)CC1 | 10.1038/s41467-023-40064-9 | ||
| 4034 | 55822 | 55 | None | -13 | 18 | Human | 5.3 | pAC50 | = | 5.3 | Functional | ChEMBL | 390 | 5 | 0 | 2 | 5.6 | Cc1cccc(CN2CCN(C(c3ccccc3)c3ccc(Cl)cc3)CC2)c1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1623 | 55822 | 55 | None | -13 | 18 | Human | 5.3 | pAC50 | = | 5.3 | Functional | ChEMBL | 390 | 5 | 0 | 2 | 5.6 | Cc1cccc(CN2CCN(C(c3ccccc3)c3ccc(Cl)cc3)CC2)c1 | 10.1038/s41467-023-40064-9 | ||
| 54477 | 84653 | 36 | None | -104 | 8 | Human | 5.3 | pAC50 | = | 5.3 | Functional | ChEMBL | 370 | 6 | 1 | 4 | 2.7 | CCN1CCC[C@H]1CNC(=O)c1c(OC)ccc(Br)c1OC | 10.1038/s41467-023-40064-9 | ||
| CHEMBL22242 | 84653 | 36 | None | -104 | 8 | Human | 5.3 | pAC50 | = | 5.3 | Functional | ChEMBL | 370 | 6 | 1 | 4 | 2.7 | CCN1CCC[C@H]1CNC(=O)c1c(OC)ccc(Br)c1OC | 10.1038/s41467-023-40064-9 | ||
| 1971 | 2866 | 38 | None | -467 | 32 | Human | 6.3 | pAC50 | = | 6.3 | Functional | ChEMBL | 263 | 3 | 1 | 1 | 3.8 | CNCCC=C1c2ccccc2CCc2c1cccc2 | 10.1038/s41467-023-40064-9 | ||
| 2404 | 2866 | 38 | None | -467 | 32 | Human | 6.3 | pAC50 | = | 6.3 | Functional | ChEMBL | 263 | 3 | 1 | 1 | 3.8 | CNCCC=C1c2ccccc2CCc2c1cccc2 | 10.1038/s41467-023-40064-9 | ||
| 4543 | 2866 | 38 | None | -467 | 32 | Human | 6.3 | pAC50 | = | 6.3 | Functional | ChEMBL | 263 | 3 | 1 | 1 | 3.8 | CNCCC=C1c2ccccc2CCc2c1cccc2 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL445 | 2866 | 38 | None | -467 | 32 | Human | 6.3 | pAC50 | = | 6.3 | Functional | ChEMBL | 263 | 3 | 1 | 1 | 3.8 | CNCCC=C1c2ccccc2CCc2c1cccc2 | 10.1038/s41467-023-40064-9 | ||
| DB00540 | 2866 | 38 | None | -467 | 32 | Human | 6.3 | pAC50 | = | 6.3 | Functional | ChEMBL | 263 | 3 | 1 | 1 | 3.8 | CNCCC=C1c2ccccc2CCc2c1cccc2 | 10.1038/s41467-023-40064-9 | ||
| 1816 | 2540 | 102 | None | -43 | 12 | Human | 6.3 | pAC50 | = | 6.3 | Functional | ChEMBL | 265 | 0 | 0 | 3 | 2.5 | CN1CCN2C(C1)c1ccccc1Cc1c2nccc1 | 10.1038/s41467-023-40064-9 | ||
| 4205 | 2540 | 102 | None | -43 | 12 | Human | 6.3 | pAC50 | = | 6.3 | Functional | ChEMBL | 265 | 0 | 0 | 3 | 2.5 | CN1CCN2C(C1)c1ccccc1Cc1c2nccc1 | 10.1038/s41467-023-40064-9 | ||
| 7241 | 2540 | 102 | None | -43 | 12 | Human | 6.3 | pAC50 | = | 6.3 | Functional | ChEMBL | 265 | 0 | 0 | 3 | 2.5 | CN1CCN2C(C1)c1ccccc1Cc1c2nccc1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL654 | 2540 | 102 | None | -43 | 12 | Human | 6.3 | pAC50 | = | 6.3 | Functional | ChEMBL | 265 | 0 | 0 | 3 | 2.5 | CN1CCN2C(C1)c1ccccc1Cc1c2nccc1 | 10.1038/s41467-023-40064-9 | ||
| DB00370 | 2540 | 102 | None | -43 | 12 | Human | 6.3 | pAC50 | = | 6.3 | Functional | ChEMBL | 265 | 0 | 0 | 3 | 2.5 | CN1CCN2C(C1)c1ccccc1Cc1c2nccc1 | 10.1038/s41467-023-40064-9 | ||
| 135398745 | 2914 | 112 | None | -52 | 33 | Human | 6.3 | pAC50 | = | 6.3 | Functional | ChEMBL | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | 10.1038/s41467-023-40064-9 | ||
| 47 | 2914 | 112 | None | -52 | 33 | Human | 6.3 | pAC50 | = | 6.3 | Functional | ChEMBL | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | 10.1038/s41467-023-40064-9 | ||
| CHEMBL715 | 2914 | 112 | None | -52 | 33 | Human | 6.3 | pAC50 | = | 6.3 | Functional | ChEMBL | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | 10.1038/s41467-023-40064-9 | ||
| DB00334 | 2914 | 112 | None | -52 | 33 | Human | 6.3 | pAC50 | = | 6.3 | Functional | ChEMBL | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | 10.1038/s41467-023-40064-9 | ||
| 5048 | 3133 | 64 | None | -3981 | 5 | Human | 5.2 | pAC50 | = | 5.2 | Functional | ChEMBL | 295 | 8 | 0 | 2 | 4.2 | Clc1ccc(cc1)CCCOCCCN1CCCCC1 | 10.1038/s41467-023-40064-9 | ||
| 8924 | 3133 | 64 | None | -3981 | 5 | Human | 5.2 | pAC50 | = | 5.2 | Functional | ChEMBL | 295 | 8 | 0 | 2 | 4.2 | Clc1ccc(cc1)CCCOCCCN1CCCCC1 | 10.1038/s41467-023-40064-9 | ||
| 9948102 | 3133 | 64 | None | -3981 | 5 | Human | 5.2 | pAC50 | = | 5.2 | Functional | ChEMBL | 295 | 8 | 0 | 2 | 4.2 | Clc1ccc(cc1)CCCOCCCN1CCCCC1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL462605 | 3133 | 64 | None | -3981 | 5 | Human | 5.2 | pAC50 | = | 5.2 | Functional | ChEMBL | 295 | 8 | 0 | 2 | 4.2 | Clc1ccc(cc1)CCCOCCCN1CCCCC1 | 10.1038/s41467-023-40064-9 | ||
| DB11642 | 3133 | 64 | None | -3981 | 5 | Human | 5.2 | pAC50 | = | 5.2 | Functional | ChEMBL | 295 | 8 | 0 | 2 | 4.2 | Clc1ccc(cc1)CCCOCCCN1CCCCC1 | 10.1038/s41467-023-40064-9 | ||
| 2585 | 803 | 103 | None | -95 | 33 | Human | 7.2 | pAC50 | = | 7.2 | Functional | ChEMBL | 406 | 10 | 3 | 5 | 3.7 | COc1ccccc1OCCNCC(COc1cccc2c1c1ccccc1[nH]2)O | 10.1038/s41467-023-40064-9 | ||
| 522 | 803 | 103 | None | -95 | 33 | Human | 7.2 | pAC50 | = | 7.2 | Functional | ChEMBL | 406 | 10 | 3 | 5 | 3.7 | COc1ccccc1OCCNCC(COc1cccc2c1c1ccccc1[nH]2)O | 10.1038/s41467-023-40064-9 | ||
| 551 | 803 | 103 | None | -95 | 33 | Human | 7.2 | pAC50 | = | 7.2 | Functional | ChEMBL | 406 | 10 | 3 | 5 | 3.7 | COc1ccccc1OCCNCC(COc1cccc2c1c1ccccc1[nH]2)O | 10.1038/s41467-023-40064-9 | ||
| CHEMBL723 | 803 | 103 | None | -95 | 33 | Human | 7.2 | pAC50 | = | 7.2 | Functional | ChEMBL | 406 | 10 | 3 | 5 | 3.7 | COc1ccccc1OCCNCC(COc1cccc2c1c1ccccc1[nH]2)O | 10.1038/s41467-023-40064-9 | ||
| DB01136 | 803 | 103 | None | -95 | 33 | Human | 7.2 | pAC50 | = | 7.2 | Functional | ChEMBL | 406 | 10 | 3 | 5 | 3.7 | COc1ccccc1OCCNCC(COc1cccc2c1c1ccccc1[nH]2)O | 10.1038/s41467-023-40064-9 | ||
| 3152 | 188411 | 103 | None | -14 | 10 | Human | 5.2 | pAC50 | = | 5.2 | Functional | ChEMBL | 379 | 6 | 0 | 4 | 4.4 | COc1cc2c(cc1OC)C(=O)C(CC1CCN(Cc3ccccc3)CC1)C2 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL502 | 188411 | 103 | None | -14 | 10 | Human | 5.2 | pAC50 | = | 5.2 | Functional | ChEMBL | 379 | 6 | 0 | 4 | 4.4 | COc1cc2c(cc1OC)C(=O)C(CC1CCN(Cc3ccccc3)CC1)C2 | 10.1038/s41467-023-40064-9 | ||
| 5365247 | 138429 | 33 | None | -4 | 10 | Human | 6.2 | pAC50 | = | 6.2 | Functional | ChEMBL | 316 | 4 | 0 | 2 | 3.8 | CN(C)C/C=C(/c1ccc(Br)cc1)c1cccnc1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL37744 | 138429 | 33 | None | -4 | 10 | Human | 6.2 | pAC50 | = | 6.2 | Functional | ChEMBL | 316 | 4 | 0 | 2 | 3.8 | CN(C)C/C=C(/c1ccc(Br)cc1)c1cccnc1 | 10.1038/s41467-023-40064-9 | ||
| 1890 | 2759 | 49 | None | -4 | 24 | Human | 6.2 | pAC50 | = | 6.2 | Functional | ChEMBL | 469 | 10 | 0 | 7 | 3.6 | CCc1nn(c(=O)n1CCOc1ccccc1)CCCN1CCN(CC1)c1cccc(c1)Cl | 10.1038/s41467-023-40064-9 | ||
| 4449 | 2759 | 49 | None | -4 | 24 | Human | 6.2 | pAC50 | = | 6.2 | Functional | ChEMBL | 469 | 10 | 0 | 7 | 3.6 | CCc1nn(c(=O)n1CCOc1ccccc1)CCCN1CCN(CC1)c1cccc(c1)Cl | 10.1038/s41467-023-40064-9 | ||
| 7247 | 2759 | 49 | None | -4 | 24 | Human | 6.2 | pAC50 | = | 6.2 | Functional | ChEMBL | 469 | 10 | 0 | 7 | 3.6 | CCc1nn(c(=O)n1CCOc1ccccc1)CCCN1CCN(CC1)c1cccc(c1)Cl | 10.1038/s41467-023-40064-9 | ||
| CHEMBL623 | 2759 | 49 | None | -4 | 24 | Human | 6.2 | pAC50 | = | 6.2 | Functional | ChEMBL | 469 | 10 | 0 | 7 | 3.6 | CCc1nn(c(=O)n1CCOc1ccccc1)CCCN1CCN(CC1)c1cccc(c1)Cl | 10.1038/s41467-023-40064-9 | ||
| DB01149 | 2759 | 49 | None | -4 | 24 | Human | 6.2 | pAC50 | = | 6.2 | Functional | ChEMBL | 469 | 10 | 0 | 7 | 3.6 | CCc1nn(c(=O)n1CCOc1ccccc1)CCCN1CCN(CC1)c1cccc(c1)Cl | 10.1038/s41467-023-40064-9 | ||
| 2435 | 3590 | 83 | None | -1548 | 21 | Human | 5.2 | pAC50 | = | 5.2 | Functional | ChEMBL | 440 | 5 | 1 | 3 | 4.6 | Clc1ccc2c(c1)c(cn2c1ccc(cc1)F)C1CCN(CC1)CCN1CCNC1=O | 10.1038/s41467-023-40064-9 | ||
| 60149 | 3590 | 83 | None | -1548 | 21 | Human | 5.2 | pAC50 | = | 5.2 | Functional | ChEMBL | 440 | 5 | 1 | 3 | 4.6 | Clc1ccc2c(c1)c(cn2c1ccc(cc1)F)C1CCN(CC1)CCN1CCNC1=O | 10.1038/s41467-023-40064-9 | ||
| 98 | 3590 | 83 | None | -1548 | 21 | Human | 5.2 | pAC50 | = | 5.2 | Functional | ChEMBL | 440 | 5 | 1 | 3 | 4.6 | Clc1ccc2c(c1)c(cn2c1ccc(cc1)F)C1CCN(CC1)CCN1CCNC1=O | 10.1038/s41467-023-40064-9 | ||
| CHEMBL12713 | 3590 | 83 | None | -1548 | 21 | Human | 5.2 | pAC50 | = | 5.2 | Functional | ChEMBL | 440 | 5 | 1 | 3 | 4.6 | Clc1ccc2c(c1)c(cn2c1ccc(cc1)F)C1CCN(CC1)CCN1CCNC1=O | 10.1038/s41467-023-40064-9 | ||
| DB06144 | 3590 | 83 | None | -1548 | 21 | Human | 5.2 | pAC50 | = | 5.2 | Functional | ChEMBL | 440 | 5 | 1 | 3 | 4.6 | Clc1ccc2c(c1)c(cn2c1ccc(cc1)F)C1CCN(CC1)CCN1CCNC1=O | 10.1038/s41467-023-40064-9 | ||
| 4567 | 9948 | 34 | None | -11 | 12 | Human | 6.2 | pAC50 | = | 6.2 | Functional | ChEMBL | 299 | 7 | 3 | 3 | 3.4 | CC(CCc1ccccc1)NC(C)C(O)c1ccc(O)cc1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL114655 | 9948 | 34 | None | -11 | 12 | Human | 6.2 | pAC50 | = | 6.2 | Functional | ChEMBL | 299 | 7 | 3 | 3 | 3.4 | CC(CCc1ccccc1)NC(C)C(O)c1ccc(O)cc1 | 10.1038/s41467-023-40064-9 | ||
| 1530 | 2182 | 50 | None | -467 | 25 | Human | 5.2 | pAC50 | = | 5.2 | Functional | ChEMBL | 309 | 0 | 0 | 3 | 4.0 | CN1CCC(=C2c3ccccc3CC(=O)c3c2ccs3)CC1 | 10.1038/s41467-023-40064-9 | ||
| 3827 | 2182 | 50 | None | -467 | 25 | Human | 5.2 | pAC50 | = | 5.2 | Functional | ChEMBL | 309 | 0 | 0 | 3 | 4.0 | CN1CCC(=C2c3ccccc3CC(=O)c3c2ccs3)CC1 | 10.1038/s41467-023-40064-9 | ||
| 7206 | 2182 | 50 | None | -467 | 25 | Human | 5.2 | pAC50 | = | 5.2 | Functional | ChEMBL | 309 | 0 | 0 | 3 | 4.0 | CN1CCC(=C2c3ccccc3CC(=O)c3c2ccs3)CC1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL534 | 2182 | 50 | None | -467 | 25 | Human | 5.2 | pAC50 | = | 5.2 | Functional | ChEMBL | 309 | 0 | 0 | 3 | 4.0 | CN1CCC(=C2c3ccccc3CC(=O)c3c2ccs3)CC1 | 10.1038/s41467-023-40064-9 | ||
| DB00920 | 2182 | 50 | None | -467 | 25 | Human | 5.2 | pAC50 | = | 5.2 | Functional | ChEMBL | 309 | 0 | 0 | 3 | 4.0 | CN1CCC(=C2c3ccccc3CC(=O)c3c2ccs3)CC1 | 10.1038/s41467-023-40064-9 | ||
| 5482 | 14420 | 80 | None | -3 | 13 | Human | 5.2 | pAC50 | = | 5.2 | Functional | ChEMBL | 386 | 6 | 0 | 4 | 5.9 | Clc1ccc(C(Cn2ccnc2)OCc2ccsc2Cl)c(Cl)c1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1200438 | 14420 | 80 | None | -3 | 13 | Human | 5.2 | pAC50 | = | 5.2 | Functional | ChEMBL | 386 | 6 | 0 | 4 | 5.9 | Clc1ccc(C(Cn2ccnc2)OCc2ccsc2Cl)c(Cl)c1 | 10.1038/s41467-023-40064-9 | ||
| 1524 | 2181 | 96 | None | -1548 | 18 | Human | 5.2 | pAC50 | = | 5.2 | Functional | ChEMBL | 395 | 5 | 1 | 5 | 2.4 | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)cccc2 | 10.1038/s41467-023-40064-9 | ||
| 197 | 2181 | 96 | None | -1548 | 18 | Human | 5.2 | pAC50 | = | 5.2 | Functional | ChEMBL | 395 | 5 | 1 | 5 | 2.4 | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)cccc2 | 10.1038/s41467-023-40064-9 | ||
| 3822 | 2181 | 96 | None | -1548 | 18 | Human | 5.2 | pAC50 | = | 5.2 | Functional | ChEMBL | 395 | 5 | 1 | 5 | 2.4 | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)cccc2 | 10.1038/s41467-023-40064-9 | ||
| 88 | 2181 | 96 | None | -1548 | 18 | Human | 5.2 | pAC50 | = | 5.2 | Functional | ChEMBL | 395 | 5 | 1 | 5 | 2.4 | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)cccc2 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL51 | 2181 | 96 | None | -1548 | 18 | Human | 5.2 | pAC50 | = | 5.2 | Functional | ChEMBL | 395 | 5 | 1 | 5 | 2.4 | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)cccc2 | 10.1038/s41467-023-40064-9 | ||
| DB12465 | 2181 | 96 | None | -1548 | 18 | Human | 5.2 | pAC50 | = | 5.2 | Functional | ChEMBL | 395 | 5 | 1 | 5 | 2.4 | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)cccc2 | 10.1038/s41467-023-40064-9 | ||
| 4011 | 82408 | 49 | None | -549 | 26 | Human | 5.2 | pAC50 | = | 5.2 | Functional | ChEMBL | 277 | 4 | 1 | 1 | 4.2 | CNCCCC12CCC(c3ccccc31)c1ccccc12 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL21731 | 82408 | 49 | None | -549 | 26 | Human | 5.2 | pAC50 | = | 5.2 | Functional | ChEMBL | 277 | 4 | 1 | 1 | 4.2 | CNCCCC12CCC(c3ccccc31)c1ccccc12 | 10.1038/s41467-023-40064-9 | ||
| 9417 | 133512 | 54 | None | -83 | 15 | Human | 5.2 | pAC50 | = | 5.2 | Functional | ChEMBL | 363 | 6 | 1 | 4 | 3.3 | OCCN1CCN(CCCN2c3ccccc3C=Cc3ccccc32)CC1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1524185 | 133512 | 54 | None | -83 | 15 | Human | 5.2 | pAC50 | = | 5.2 | Functional | ChEMBL | 363 | 6 | 1 | 4 | 3.3 | OCCN1CCN(CCCN2c3ccccc3C=Cc3ccccc32)CC1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL370753 | 133512 | 54 | None | -83 | 15 | Human | 5.2 | pAC50 | = | 5.2 | Functional | ChEMBL | 363 | 6 | 1 | 4 | 3.3 | OCCN1CCN(CCCN2c3ccccc3C=Cc3ccccc32)CC1 | 10.1038/s41467-023-40064-9 | ||
| 5311017 | 120604 | 11 | None | 2 | 5 | Human | 6.2 | pAC50 | = | 6.2 | Functional | ChEMBL | 239 | 5 | 0 | 1 | 3.8 | C[C@@H](Cc1ccccc1)N(C)Cc1ccccc1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL3545985 | 120604 | 11 | None | 2 | 5 | Human | 6.2 | pAC50 | = | 6.2 | Functional | ChEMBL | 239 | 5 | 0 | 1 | 3.8 | C[C@@H](Cc1ccccc1)N(C)Cc1ccccc1 | 10.1038/s41467-023-40064-9 | ||
| 68712 | 100338 | 60 | None | -1 | 7 | Human | 5.2 | pAC50 | = | 5.2 | Functional | ChEMBL | 180 | 3 | 1 | 3 | 1.2 | C1COC(NC(C2CC2)C2CC2)=N1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL289480 | 100338 | 60 | None | -1 | 7 | Human | 5.2 | pAC50 | = | 5.2 | Functional | ChEMBL | 180 | 3 | 1 | 3 | 1.2 | C1COC(NC(C2CC2)C2CC2)=N1 | 10.1038/s41467-023-40064-9 | ||
| 3926 | 207241 | 40 | None | -1 | 18 | Human | 6.2 | pAC50 | = | 6.2 | Functional | ChEMBL | 491 | 9 | 1 | 3 | 5.8 | Cc1cccc(C)c1NC(=O)CN1CCN(CCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL92870 | 207241 | 40 | None | -1 | 18 | Human | 6.2 | pAC50 | = | 6.2 | Functional | ChEMBL | 491 | 9 | 1 | 3 | 5.8 | Cc1cccc(C)c1NC(=O)CN1CCN(CCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1 | 10.1038/s41467-023-40064-9 | ||
| 21772 | 78399 | 31 | None | -457 | 10 | Human | 5.2 | pAC50 | = | 5.2 | Functional | ChEMBL | 293 | 4 | 0 | 1 | 4.5 | CC(CC1c2ccccc2CCc2ccccc21)CN(C)C | 10.1038/s41467-023-40064-9 | ||
| CHEMBL2110816 | 78399 | 31 | None | -457 | 10 | Human | 5.2 | pAC50 | = | 5.2 | Functional | ChEMBL | 293 | 4 | 0 | 1 | 4.5 | CC(CC1c2ccccc2CCc2ccccc21)CN(C)C | 10.1038/s41467-023-40064-9 | ||
| 179 | 400 | 115 | None | -104 | 8 | Human | 6.2 | pAC50 | = | 6.2 | Functional | ChEMBL | 369 | 7 | 2 | 6 | 1.3 | CCN1CCCC1CNC(=O)c1cc(c(cc1OC)N)S(=O)(=O)CC | 10.1038/s41467-023-40064-9 | ||
| 2159 | 400 | 115 | None | -104 | 8 | Human | 6.2 | pAC50 | = | 6.2 | Functional | ChEMBL | 369 | 7 | 2 | 6 | 1.3 | CCN1CCCC1CNC(=O)c1cc(c(cc1OC)N)S(=O)(=O)CC | 10.1038/s41467-023-40064-9 | ||
| 963 | 400 | 115 | None | -104 | 8 | Human | 6.2 | pAC50 | = | 6.2 | Functional | ChEMBL | 369 | 7 | 2 | 6 | 1.3 | CCN1CCCC1CNC(=O)c1cc(c(cc1OC)N)S(=O)(=O)CC | 10.1038/s41467-023-40064-9 | ||
| CHEMBL243712 | 400 | 115 | None | -104 | 8 | Human | 6.2 | pAC50 | = | 6.2 | Functional | ChEMBL | 369 | 7 | 2 | 6 | 1.3 | CCN1CCCC1CNC(=O)c1cc(c(cc1OC)N)S(=O)(=O)CC | 10.1038/s41467-023-40064-9 | ||
| DB06288 | 400 | 115 | None | -104 | 8 | Human | 6.2 | pAC50 | = | 6.2 | Functional | ChEMBL | 369 | 7 | 2 | 6 | 1.3 | CCN1CCCC1CNC(=O)c1cc(c(cc1OC)N)S(=O)(=O)CC | 10.1038/s41467-023-40064-9 | ||
| 104870 | 98880 | 47 | None | -2 | 10 | Human | 6.2 | pAC50 | = | 6.2 | Functional | ChEMBL | 209 | 2 | 1 | 4 | 1.3 | C=CCN1CCc2nc(N)sc2CC1 | 10.1038/s41467-023-40064-9 | ||
| 5374 | 98880 | 47 | None | -2 | 10 | Human | 6.2 | pAC50 | = | 6.2 | Functional | ChEMBL | 209 | 2 | 1 | 4 | 1.3 | C=CCN1CCc2nc(N)sc2CC1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL279085 | 98880 | 47 | None | -2 | 10 | Human | 6.2 | pAC50 | = | 6.2 | Functional | ChEMBL | 209 | 2 | 1 | 4 | 1.3 | C=CCN1CCc2nc(N)sc2CC1 | 10.1038/s41467-023-40064-9 | ||
| 2291 | 3184 | 58 | None | -134 | 13 | Human | 5.2 | pAC50 | = | 5.2 | Functional | ChEMBL | 341 | 11 | 2 | 4 | 3.2 | CCCNCC(COc1ccccc1C(=O)CCc1ccccc1)O | 10.1038/s41467-023-40064-9 | ||
| 2561 | 3184 | 58 | None | -134 | 13 | Human | 5.2 | pAC50 | = | 5.2 | Functional | ChEMBL | 341 | 11 | 2 | 4 | 3.2 | CCCNCC(COc1ccccc1C(=O)CCc1ccccc1)O | 10.1038/s41467-023-40064-9 | ||
| 4932 | 3184 | 58 | None | -134 | 13 | Human | 5.2 | pAC50 | = | 5.2 | Functional | ChEMBL | 341 | 11 | 2 | 4 | 3.2 | CCCNCC(COc1ccccc1C(=O)CCc1ccccc1)O | 10.1038/s41467-023-40064-9 | ||
| CHEMBL631 | 3184 | 58 | None | -134 | 13 | Human | 5.2 | pAC50 | = | 5.2 | Functional | ChEMBL | 341 | 11 | 2 | 4 | 3.2 | CCCNCC(COc1ccccc1C(=O)CCc1ccccc1)O | 10.1038/s41467-023-40064-9 | ||
| DB01182 | 3184 | 58 | None | -134 | 13 | Human | 5.2 | pAC50 | = | 5.2 | Functional | ChEMBL | 341 | 11 | 2 | 4 | 3.2 | CCCNCC(COc1ccccc1C(=O)CCc1ccccc1)O | 10.1038/s41467-023-40064-9 | ||
| 19910 | 37408 | 106 | None | -1 | 10 | Human | 5.2 | pAC50 | = | 5.2 | Functional | ChEMBL | 190 | 1 | 1 | 4 | 1.8 | O=[N+]([O-])c1ccc(O)c2ncccc12 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1454910 | 37408 | 106 | None | -1 | 10 | Human | 5.2 | pAC50 | = | 5.2 | Functional | ChEMBL | 190 | 1 | 1 | 4 | 1.8 | O=[N+]([O-])c1ccc(O)c2ncccc12 | 10.1038/s41467-023-40064-9 | ||
| 17676 | 7072 | 29 | None | -165 | 13 | Human | 6.1 | pAC50 | = | 6.1 | Functional | ChEMBL | 411 | 7 | 1 | 6 | 3.5 | CC(=O)c1ccc2c(c1)N(CCCN1CCN(CCO)CC1)c1ccccc1S2 | 10.1038/s41467-023-40064-9 | ||
| 5281082 | 7072 | 29 | None | -165 | 13 | Human | 6.1 | pAC50 | = | 6.1 | Functional | ChEMBL | 411 | 7 | 1 | 6 | 3.5 | CC(=O)c1ccc2c(c1)N(CCCN1CCN(CCO)CC1)c1ccccc1S2 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1085 | 7072 | 29 | None | -165 | 13 | Human | 6.1 | pAC50 | = | 6.1 | Functional | ChEMBL | 411 | 7 | 1 | 6 | 3.5 | CC(=O)c1ccc2c(c1)N(CCCN1CCN(CCO)CC1)c1ccccc1S2 | 10.1038/s41467-023-40064-9 | ||
| 2477 | 745 | 59 | None | -316 | 20 | Human | 5.1 | pAC50 | = | 5.1 | Functional | ChEMBL | 385 | 6 | 0 | 6 | 2.1 | O=C1CC2(CCCC2)CC(=O)N1CCCCN1CCN(CC1)c1ncccn1 | 10.1038/s41467-023-40064-9 | ||
| 36 | 745 | 59 | None | -316 | 20 | Human | 5.1 | pAC50 | = | 5.1 | Functional | ChEMBL | 385 | 6 | 0 | 6 | 2.1 | O=C1CC2(CCCC2)CC(=O)N1CCCCN1CCN(CC1)c1ncccn1 | 10.1038/s41467-023-40064-9 | ||
| 437 | 745 | 59 | None | -316 | 20 | Human | 5.1 | pAC50 | = | 5.1 | Functional | ChEMBL | 385 | 6 | 0 | 6 | 2.1 | O=C1CC2(CCCC2)CC(=O)N1CCCCN1CCN(CC1)c1ncccn1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL49 | 745 | 59 | None | -316 | 20 | Human | 5.1 | pAC50 | = | 5.1 | Functional | ChEMBL | 385 | 6 | 0 | 6 | 2.1 | O=C1CC2(CCCC2)CC(=O)N1CCCCN1CCN(CC1)c1ncccn1 | 10.1038/s41467-023-40064-9 | ||
| DB00490 | 745 | 59 | None | -316 | 20 | Human | 5.1 | pAC50 | = | 5.1 | Functional | ChEMBL | 385 | 6 | 0 | 6 | 2.1 | O=C1CC2(CCCC2)CC(=O)N1CCCCN1CCN(CC1)c1ncccn1 | 10.1038/s41467-023-40064-9 | ||
| 162265 | 202274 | 22 | None | - | 1 | Human | 5.1 | pAC50 | = | 5.1 | Functional | ChEMBL | 151 | 2 | 2 | 2 | 1.1 | CC(N)C(O)c1ccccc1 | 10.1038/s41467-023-40064-9 | ||
| 4786 | 202274 | 22 | None | - | 1 | Human | 5.1 | pAC50 | = | 5.1 | Functional | ChEMBL | 151 | 2 | 2 | 2 | 1.1 | CC(N)C(O)c1ccccc1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL61006 | 202274 | 22 | None | - | 1 | Human | 5.1 | pAC50 | = | 5.1 | Functional | ChEMBL | 151 | 2 | 2 | 2 | 1.1 | CC(N)C(O)c1ccccc1 | 10.1038/s41467-023-40064-9 | ||
| 16722836 | 18985 | 99 | None | -6 | 13 | Human | 5.1 | pAC50 | = | 5.1 | Functional | ChEMBL | 524 | 10 | 3 | 8 | 4.8 | Cc1cnc(Nc2ccc(OCCN3CCCC3)cc2)nc1Nc1cccc(S(=O)(=O)NC(C)(C)C)c1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1287853 | 18985 | 99 | None | -6 | 13 | Human | 5.1 | pAC50 | = | 5.1 | Functional | ChEMBL | 524 | 10 | 3 | 8 | 4.8 | Cc1cnc(Nc2ccc(OCCN3CCCC3)cc2)nc1Nc1cccc(S(=O)(=O)NC(C)(C)C)c1 | 10.1038/s41467-023-40064-9 | ||
| 5210 | 33338 | 48 | None | -1 | 8 | Human | 6.1 | pAC50 | = | 6.1 | Functional | ChEMBL | 279 | 5 | 0 | 1 | 4.7 | CC(C)CC(N(C)C)C1(c2ccc(Cl)cc2)CCC1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1200765 | 33338 | 48 | None | -1 | 8 | Human | 6.1 | pAC50 | = | 6.1 | Functional | ChEMBL | 279 | 5 | 0 | 1 | 4.7 | CC(C)CC(N(C)C)C1(c2ccc(Cl)cc2)CCC1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1419 | 33338 | 48 | None | -1 | 8 | Human | 6.1 | pAC50 | = | 6.1 | Functional | ChEMBL | 279 | 5 | 0 | 1 | 4.7 | CC(C)CC(N(C)C)C1(c2ccc(Cl)cc2)CCC1 | 10.1038/s41467-023-40064-9 | ||
| 1234 | 189221 | 56 | None | -28 | 10 | Human | 5.1 | pAC50 | = | 5.1 | Functional | ChEMBL | 484 | 14 | 0 | 7 | 5.1 | COc1ccc(CCN(C)CCCC(C#N)(c2cc(OC)c(OC)c(OC)c2)C(C)C)cc1OC | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1256940 | 189221 | 56 | None | -28 | 10 | Human | 5.1 | pAC50 | = | 5.1 | Functional | ChEMBL | 484 | 14 | 0 | 7 | 5.1 | COc1ccc(CCN(C)CCCC(C#N)(c2cc(OC)c(OC)c(OC)c2)C(C)C)cc1OC | 10.1038/s41467-023-40064-9 | ||
| CHEMBL51149 | 189221 | 56 | None | -28 | 10 | Human | 5.1 | pAC50 | = | 5.1 | Functional | ChEMBL | 484 | 14 | 0 | 7 | 5.1 | COc1ccc(CCN(C)CCCC(C#N)(c2cc(OC)c(OC)c(OC)c2)C(C)C)cc1OC | 10.1038/s41467-023-40064-9 | ||
| 135409453 | 3773 | 41 | None | -263 | 35 | Human | 6.1 | pAC50 | = | 6.1 | Functional | ChEMBL | 301 | 7 | 3 | 3 | 2.6 | CCCCCN=C(N/N=C/c1c[nH]c2c1cc(OC)cc2)N | 10.1038/s41467-023-40064-9 | ||
| 226 | 3773 | 41 | None | -263 | 35 | Human | 6.1 | pAC50 | = | 6.1 | Functional | ChEMBL | 301 | 7 | 3 | 3 | 2.6 | CCCCCN=C(N/N=C/c1c[nH]c2c1cc(OC)cc2)N | 10.1038/s41467-023-40064-9 | ||
| CHEMBL76370 | 3773 | 41 | None | -263 | 35 | Human | 6.1 | pAC50 | = | 6.1 | Functional | ChEMBL | 301 | 7 | 3 | 3 | 2.6 | CCCCCN=C(N/N=C/c1c[nH]c2c1cc(OC)cc2)N | 10.1038/s41467-023-40064-9 | ||
| 43815 | 186920 | 64 | None | -77 | 20 | Human | 5.1 | pAC50 | = | 5.1 | Functional | ChEMBL | 329 | 4 | 1 | 4 | 3.3 | Fc1ccc([C@@H]2CCNC[C@H]2COc2ccc3c(c2)OCO3)cc1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1708 | 186920 | 64 | None | -77 | 20 | Human | 5.1 | pAC50 | = | 5.1 | Functional | ChEMBL | 329 | 4 | 1 | 4 | 3.3 | Fc1ccc([C@@H]2CCNC[C@H]2COc2ccc3c(c2)OCO3)cc1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL490 | 186920 | 64 | None | -77 | 20 | Human | 5.1 | pAC50 | = | 5.1 | Functional | ChEMBL | 329 | 4 | 1 | 4 | 3.3 | Fc1ccc([C@@H]2CCNC[C@H]2COc2ccc3c(c2)OCO3)cc1 | 10.1038/s41467-023-40064-9 | ||
| 2218 | 15283 | 23 | None | -10 | 12 | Human | 5.1 | pAC50 | = | 5.1 | Functional | ChEMBL | 322 | 8 | 0 | 2 | 4.4 | CCN(CC)CCCN(c1ccccc1)C1Cc2ccccc2C1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1213033 | 15283 | 23 | None | -10 | 12 | Human | 5.1 | pAC50 | = | 5.1 | Functional | ChEMBL | 322 | 8 | 0 | 2 | 4.4 | CCN(CC)CCCN(c1ccccc1)C1Cc2ccccc2C1 | 10.1038/s41467-023-40064-9 | ||
| 36811 | 1454 | 37 | None | -28 | 17 | Human | 6.1 | pAC50 | = | 6.1 | Functional | ChEMBL | 301 | 7 | 4 | 4 | 3.0 | CC(CCc1ccc(cc1)O)NCCc1ccc(c(c1)O)O | 10.1038/s41467-023-40064-9 | ||
| 535 | 1454 | 37 | None | -28 | 17 | Human | 6.1 | pAC50 | = | 6.1 | Functional | ChEMBL | 301 | 7 | 4 | 4 | 3.0 | CC(CCc1ccc(cc1)O)NCCc1ccc(c(c1)O)O | 10.1038/s41467-023-40064-9 | ||
| 937 | 1454 | 37 | None | -28 | 17 | Human | 6.1 | pAC50 | = | 6.1 | Functional | ChEMBL | 301 | 7 | 4 | 4 | 3.0 | CC(CCc1ccc(cc1)O)NCCc1ccc(c(c1)O)O | 10.1038/s41467-023-40064-9 | ||
| CHEMBL926 | 1454 | 37 | None | -28 | 17 | Human | 6.1 | pAC50 | = | 6.1 | Functional | ChEMBL | 301 | 7 | 4 | 4 | 3.0 | CC(CCc1ccc(cc1)O)NCCc1ccc(c(c1)O)O | 10.1038/s41467-023-40064-9 | ||
| DB00841 | 1454 | 37 | None | -28 | 17 | Human | 6.1 | pAC50 | = | 6.1 | Functional | ChEMBL | 301 | 7 | 4 | 4 | 3.0 | CC(CCc1ccc(cc1)O)NCCc1ccc(c(c1)O)O | 10.1038/s41467-023-40064-9 | ||
| 2146 | 3100 | 67 | None | -181 | 14 | Human | 5.1 | pAC50 | = | 5.1 | Functional | ChEMBL | 167 | 3 | 3 | 3 | 0.6 | CNC[C@@H](c1cccc(c1)O)O | 10.1038/s41467-023-40064-9 | ||
| 485 | 3100 | 67 | None | -181 | 14 | Human | 5.1 | pAC50 | = | 5.1 | Functional | ChEMBL | 167 | 3 | 3 | 3 | 0.6 | CNC[C@@H](c1cccc(c1)O)O | 10.1038/s41467-023-40064-9 | ||
| 6041 | 3100 | 67 | None | -181 | 14 | Human | 5.1 | pAC50 | = | 5.1 | Functional | ChEMBL | 167 | 3 | 3 | 3 | 0.6 | CNC[C@@H](c1cccc(c1)O)O | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1215 | 3100 | 67 | None | -181 | 14 | Human | 5.1 | pAC50 | = | 5.1 | Functional | ChEMBL | 167 | 3 | 3 | 3 | 0.6 | CNC[C@@H](c1cccc(c1)O)O | 10.1038/s41467-023-40064-9 | ||
| DB00388 | 3100 | 67 | None | -181 | 14 | Human | 5.1 | pAC50 | = | 5.1 | Functional | ChEMBL | 167 | 3 | 3 | 3 | 0.6 | CNC[C@@H](c1cccc(c1)O)O | 10.1038/s41467-023-40064-9 | ||
| 2448 | 99323 | 70 | None | -363 | 15 | Human | 5.1 | pAC50 | = | 5.1 | Functional | ChEMBL | 419 | 6 | 1 | 3 | 4.5 | O=C(CCCN1CCC(O)(c2ccc(Br)cc2)CC1)c1ccc(F)cc1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL28218 | 99323 | 70 | None | -363 | 15 | Human | 5.1 | pAC50 | = | 5.1 | Functional | ChEMBL | 419 | 6 | 1 | 3 | 4.5 | O=C(CCCN1CCC(O)(c2ccc(Br)cc2)CC1)c1ccc(F)cc1 | 10.1038/s41467-023-40064-9 | ||
| 115 | 343 | 71 | None | -14 | 5 | Human | 6.1 | pAC50 | = | 6.1 | Functional | ChEMBL | 389 | 8 | 3 | 7 | 2.0 | COc1cc2nc([nH]c(=N)c2cc1OC)N(CCCN=C(C1CCCO1)O)C | 10.1038/s41467-023-40064-9 | ||
| 2092 | 343 | 71 | None | -14 | 5 | Human | 6.1 | pAC50 | = | 6.1 | Functional | ChEMBL | 389 | 8 | 3 | 7 | 2.0 | COc1cc2nc([nH]c(=N)c2cc1OC)N(CCCN=C(C1CCCO1)O)C | 10.1038/s41467-023-40064-9 | ||
| 7109 | 343 | 71 | None | -14 | 5 | Human | 6.1 | pAC50 | = | 6.1 | Functional | ChEMBL | 389 | 8 | 3 | 7 | 2.0 | COc1cc2nc([nH]c(=N)c2cc1OC)N(CCCN=C(C1CCCO1)O)C | 10.1038/s41467-023-40064-9 | ||
| CHEMBL709 | 343 | 71 | None | -14 | 5 | Human | 6.1 | pAC50 | = | 6.1 | Functional | ChEMBL | 389 | 8 | 3 | 7 | 2.0 | COc1cc2nc([nH]c(=N)c2cc1OC)N(CCCN=C(C1CCCO1)O)C | 10.1038/s41467-023-40064-9 | ||
| DB00346 | 343 | 71 | None | -14 | 5 | Human | 6.1 | pAC50 | = | 6.1 | Functional | ChEMBL | 389 | 8 | 3 | 7 | 2.0 | COc1cc2nc([nH]c(=N)c2cc1OC)N(CCCN=C(C1CCCO1)O)C | 10.1038/s41467-023-40064-9 | ||
| 3158 | 56267 | 27 | None | -1202 | 28 | Human | 6.1 | pAC50 | = | 6.1 | Functional | ChEMBL | 279 | 3 | 0 | 2 | 4.0 | CN(C)CCC=C1c2ccccc2COc2ccccc21 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1628227 | 56267 | 27 | None | -1202 | 28 | Human | 6.1 | pAC50 | = | 6.1 | Functional | ChEMBL | 279 | 3 | 0 | 2 | 4.0 | CN(C)CCC=C1c2ccccc2COc2ccccc21 | 10.1038/s41467-023-40064-9 | ||
| 2142 | 3096 | 58 | None | -31 | 18 | Human | 6.1 | pAC50 | = | 6.1 | Functional | ChEMBL | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | 10.1038/s41467-023-40064-9 | ||
| 4920903 | 3096 | 58 | None | -31 | 18 | Human | 6.1 | pAC50 | = | 6.1 | Functional | ChEMBL | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | 10.1038/s41467-023-40064-9 | ||
| 502 | 3096 | 58 | None | -31 | 18 | Human | 6.1 | pAC50 | = | 6.1 | Functional | ChEMBL | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | 10.1038/s41467-023-40064-9 | ||
| 5775 | 3096 | 58 | None | -31 | 18 | Human | 6.1 | pAC50 | = | 6.1 | Functional | ChEMBL | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL597 | 3096 | 58 | None | -31 | 18 | Human | 6.1 | pAC50 | = | 6.1 | Functional | ChEMBL | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | 10.1038/s41467-023-40064-9 | ||
| DB00692 | 3096 | 58 | None | -31 | 18 | Human | 6.1 | pAC50 | = | 6.1 | Functional | ChEMBL | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | 10.1038/s41467-023-40064-9 | ||
| 72093 | 35061 | 9 | None | -7 | 28 | Human | 5.1 | pAC50 | = | 5.1 | Functional | ChEMBL | 483 | 16 | 1 | 4 | 6.3 | CCCCCCCCOc1ccccc1C(=O)Nc1ccc(C(=O)OCC[N+](C)(CC)CC)cc1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1433361 | 35061 | 9 | None | -7 | 28 | Human | 5.1 | pAC50 | = | 5.1 | Functional | ChEMBL | 483 | 16 | 1 | 4 | 6.3 | CCCCCCCCOc1ccccc1C(=O)Nc1ccc(C(=O)OCC[N+](C)(CC)CC)cc1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL2103773 | 35061 | 9 | None | -7 | 28 | Human | 5.1 | pAC50 | = | 5.1 | Functional | ChEMBL | 483 | 16 | 1 | 4 | 6.3 | CCCCCCCCOc1ccccc1C(=O)Nc1ccc(C(=O)OCC[N+](C)(CC)CC)cc1 | 10.1038/s41467-023-40064-9 | ||
| 1549120 | 196486 | 85 | None | -5 | 19 | Human | 5.1 | pAC50 | = | 5.1 | Functional | ChEMBL | 319 | 4 | 1 | 4 | 2.9 | CC(/C=C1\SC(=S)N(CC(=O)O)C1=O)=C\c1ccccc1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL56337 | 196486 | 85 | None | -5 | 19 | Human | 5.1 | pAC50 | = | 5.1 | Functional | ChEMBL | 319 | 4 | 1 | 4 | 2.9 | CC(/C=C1\SC(=S)N(CC(=O)O)C1=O)=C\c1ccccc1 | 10.1038/s41467-023-40064-9 | ||
| 2284 | 3182 | 33 | None | -56 | 34 | Human | 6.1 | pAC50 | = | 6.1 | Functional | ChEMBL | 284 | 4 | 0 | 3 | 4.2 | CN(CCCN1c2ccccc2Sc2c1cccc2)C | 10.1038/s41467-023-40064-9 | ||
| 4926 | 3182 | 33 | None | -56 | 34 | Human | 6.1 | pAC50 | = | 6.1 | Functional | ChEMBL | 284 | 4 | 0 | 3 | 4.2 | CN(CCCN1c2ccccc2Sc2c1cccc2)C | 10.1038/s41467-023-40064-9 | ||
| 7281 | 3182 | 33 | None | -56 | 34 | Human | 6.1 | pAC50 | = | 6.1 | Functional | ChEMBL | 284 | 4 | 0 | 3 | 4.2 | CN(CCCN1c2ccccc2Sc2c1cccc2)C | 10.1038/s41467-023-40064-9 | ||
| CHEMBL564 | 3182 | 33 | None | -56 | 34 | Human | 6.1 | pAC50 | = | 6.1 | Functional | ChEMBL | 284 | 4 | 0 | 3 | 4.2 | CN(CCCN1c2ccccc2Sc2c1cccc2)C | 10.1038/s41467-023-40064-9 | ||
| DB00420 | 3182 | 33 | None | -56 | 34 | Human | 6.1 | pAC50 | = | 6.1 | Functional | ChEMBL | 284 | 4 | 0 | 3 | 4.2 | CN(CCCN1c2ccccc2Sc2c1cccc2)C | 10.1038/s41467-023-40064-9 | ||
| 156419 | 938 | 74 | None | -13 | 15 | Human | 6.1 | pAC50 | = | 6.1 | Functional | ChEMBL | 357 | 6 | 1 | 1 | 6.1 | C[C@H](c1cccc2c1cccc2)NCCCc1cccc(c1)C(F)(F)F | 10.1038/s41467-023-40064-9 | ||
| 3308 | 938 | 74 | None | -13 | 15 | Human | 6.1 | pAC50 | = | 6.1 | Functional | ChEMBL | 357 | 6 | 1 | 1 | 6.1 | C[C@H](c1cccc2c1cccc2)NCCCc1cccc(c1)C(F)(F)F | 10.1038/s41467-023-40064-9 | ||
| 647 | 938 | 74 | None | -13 | 15 | Human | 6.1 | pAC50 | = | 6.1 | Functional | ChEMBL | 357 | 6 | 1 | 1 | 6.1 | C[C@H](c1cccc2c1cccc2)NCCCc1cccc(c1)C(F)(F)F | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1201284 | 938 | 74 | None | -13 | 15 | Human | 6.1 | pAC50 | = | 6.1 | Functional | ChEMBL | 357 | 6 | 1 | 1 | 6.1 | C[C@H](c1cccc2c1cccc2)NCCCc1cccc(c1)C(F)(F)F | 10.1038/s41467-023-40064-9 | ||
| DB01012 | 938 | 74 | None | -13 | 15 | Human | 6.1 | pAC50 | = | 6.1 | Functional | ChEMBL | 357 | 6 | 1 | 1 | 6.1 | C[C@H](c1cccc2c1cccc2)NCCCc1cccc(c1)C(F)(F)F | 10.1038/s41467-023-40064-9 | ||
| 3180 | 14473 | 41 | None | -2 | 10 | Human | 5.1 | pAC50 | = | 5.1 | Functional | ChEMBL | 289 | 8 | 0 | 3 | 3.9 | CCCCOc1ccc(C(=O)CCN2CCCCC2)cc1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1201217 | 14473 | 41 | None | -2 | 10 | Human | 5.1 | pAC50 | = | 5.1 | Functional | ChEMBL | 289 | 8 | 0 | 3 | 3.9 | CCCCOc1ccc(C(=O)CCN2CCCCC2)cc1 | 10.1038/s41467-023-40064-9 | ||
| 68555 | 103112 | 21 | None | -190 | 7 | Human | 5.1 | pAC50 | = | 5.1 | Functional | ChEMBL | 307 | 7 | 1 | 5 | 2.6 | CNCCc1ccc(OC(=O)C(C)C)c(OC(=O)C(C)C)c1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL307739 | 103112 | 21 | None | -190 | 7 | Human | 5.1 | pAC50 | = | 5.1 | Functional | ChEMBL | 307 | 7 | 1 | 5 | 2.6 | CNCCc1ccc(OC(=O)C(C)C)c(OC(=O)C(C)C)c1 | 10.1038/s41467-023-40064-9 | ||
| 3081361 | 93934 | 123 | None | -1 | 14 | Human | 6.1 | pAC50 | = | 6.1 | Functional | ChEMBL | 474 | 5 | 1 | 5 | 4.4 | COc1cc2/c(=N/c3ccc(Br)cc3F)nc[nH]c2cc1OCC1CCN(C)CC1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL24828 | 93934 | 123 | None | -1 | 14 | Human | 6.1 | pAC50 | = | 6.1 | Functional | ChEMBL | 474 | 5 | 1 | 5 | 4.4 | COc1cc2/c(=N/c3ccc(Br)cc3F)nc[nH]c2cc1OCC1CCN(C)CC1 | 10.1038/s41467-023-40064-9 | ||
| 1385580 | 29276 | 76 | None | -104 | 19 | Human | 6.1 | pAC50 | = | 6.1 | Functional | ChEMBL | 426 | 7 | 1 | 4 | 4.1 | O=c1[nH]c2ccccc2n1CCCN1CCN(C(c2ccccc2)c2ccccc2)CC1 | 10.1038/s41467-023-40064-9 | ||
| 4615 | 29276 | 76 | None | -104 | 19 | Human | 6.1 | pAC50 | = | 6.1 | Functional | ChEMBL | 426 | 7 | 1 | 4 | 4.1 | O=c1[nH]c2ccccc2n1CCCN1CCN(C(c2ccccc2)c2ccccc2)CC1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL13828 | 29276 | 76 | None | -104 | 19 | Human | 6.1 | pAC50 | = | 6.1 | Functional | ChEMBL | 426 | 7 | 1 | 4 | 4.1 | O=c1[nH]c2ccccc2n1CCCN1CCN(C(c2ccccc2)c2ccccc2)CC1 | 10.1038/s41467-023-40064-9 | ||
| 3689 | 102771 | 55 | None | -128 | 16 | Human | 6.1 | pAC50 | = | 6.1 | Functional | ChEMBL | 325 | 5 | 2 | 3 | 3.8 | CC(C(O)c1ccc(O)cc1)N1CCC(Cc2ccccc2)CC1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1372983 | 102771 | 55 | None | -128 | 16 | Human | 6.1 | pAC50 | = | 6.1 | Functional | ChEMBL | 325 | 5 | 2 | 3 | 3.8 | CC(C(O)c1ccc(O)cc1)N1CCC(Cc2ccccc2)CC1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL305187 | 102771 | 55 | None | -128 | 16 | Human | 6.1 | pAC50 | = | 6.1 | Functional | ChEMBL | 325 | 5 | 2 | 3 | 3.8 | CC(C(O)c1ccc(O)cc1)N1CCC(Cc2ccccc2)CC1 | 10.1038/s41467-023-40064-9 | ||
| 22323 | 15299 | 32 | None | -5 | 11 | Human | 5.1 | pAC50 | = | 5.1 | Functional | ChEMBL | 287 | 2 | 5 | 2 | 2.9 | CC(C)NC(=N)NC(=N)Nc1ccc(Cl)c(Cl)c1 | 10.1038/s41467-023-40064-9 | ||
| 9571037 | 15299 | 32 | None | -5 | 11 | Human | 5.1 | pAC50 | = | 5.1 | Functional | ChEMBL | 287 | 2 | 5 | 2 | 2.9 | CC(C)NC(=N)NC(=N)Nc1ccc(Cl)c(Cl)c1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1213553 | 15299 | 32 | None | -5 | 11 | Human | 5.1 | pAC50 | = | 5.1 | Functional | ChEMBL | 287 | 2 | 5 | 2 | 2.9 | CC(C)NC(=N)NC(=N)Nc1ccc(Cl)c(Cl)c1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL3039583 | 210949 | 0 | None | -169 | 17 | Human | 5.1 | pAC50 | = | 5.1 | Functional | ChEMBL | None | None | None | NCCCC[C@@H]1NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](c2ccccc2)NC(=O)[C@@H]2C[C@H](OC(=O)NCCN)CN2C(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(OCc3ccccc3)cc2)NC1=O | 10.1038/s41467-023-40064-9 | ||||
| 21722 | 17992 | 31 | None | -22 | 21 | Human | 5.1 | pAC50 | = | 5.1 | Functional | ChEMBL | 284 | 4 | 0 | 2 | 4.3 | CN(C)CCCn1c2c(c3ccccc31)CCCCCC2 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL126224 | 17992 | 31 | None | -22 | 21 | Human | 5.1 | pAC50 | = | 5.1 | Functional | ChEMBL | 284 | 4 | 0 | 2 | 4.3 | CN(C)CCCn1c2c(c3ccccc31)CCCCCC2 | 10.1038/s41467-023-40064-9 | ||
| 2099 | 9307 | 55 | None | -109 | 5 | Human | 5.0 | pAC50 | = | 5.0 | Functional | ChEMBL | 294 | 2 | 1 | 3 | 2.4 | Cc1[nH]cnc1CN1CCc2c(c3ccccc3n2C)C1=O | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1110 | 9307 | 55 | None | -109 | 5 | Human | 5.0 | pAC50 | = | 5.0 | Functional | ChEMBL | 294 | 2 | 1 | 3 | 2.4 | Cc1[nH]cnc1CN1CCc2c(c3ccccc3n2C)C1=O | 10.1038/s41467-023-40064-9 | ||
| 2762 | 3863 | 31 | None | -301 | 9 | Human | 5.0 | pAC50 | = | 5.0 | Functional | ChEMBL | 255 | 6 | 0 | 3 | 2.7 | CN(CCN(c1ccccn1)Cc1ccccc1)C | 10.1038/s41467-023-40064-9 | ||
| 5587 | 3863 | 31 | None | -301 | 9 | Human | 5.0 | pAC50 | = | 5.0 | Functional | ChEMBL | 255 | 6 | 0 | 3 | 2.7 | CN(CCN(c1ccccn1)Cc1ccccc1)C | 10.1038/s41467-023-40064-9 | ||
| 7318 | 3863 | 31 | None | -301 | 9 | Human | 5.0 | pAC50 | = | 5.0 | Functional | ChEMBL | 255 | 6 | 0 | 3 | 2.7 | CN(CCN(c1ccccn1)Cc1ccccc1)C | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1241 | 3863 | 31 | None | -301 | 9 | Human | 5.0 | pAC50 | = | 5.0 | Functional | ChEMBL | 255 | 6 | 0 | 3 | 2.7 | CN(CCN(c1ccccn1)Cc1ccccc1)C | 10.1038/s41467-023-40064-9 | ||
| DB00792 | 3863 | 31 | None | -301 | 9 | Human | 5.0 | pAC50 | = | 5.0 | Functional | ChEMBL | 255 | 6 | 0 | 3 | 2.7 | CN(CCN(c1ccccn1)Cc1ccccc1)C | 10.1038/s41467-023-40064-9 | ||
| 2372 | 106468 | 40 | None | -354 | 6 | Human | 5.0 | pAC50 | = | 5.0 | Functional | ChEMBL | 345 | 10 | 2 | 5 | 2.6 | COc1ccc(CCNCC(O)COc2cccc(C)c2)cc1OC | 10.1038/s41467-023-40064-9 | ||
| CHEMBL314010 | 106468 | 40 | None | -354 | 6 | Human | 5.0 | pAC50 | = | 5.0 | Functional | ChEMBL | 345 | 10 | 2 | 5 | 2.6 | COc1ccc(CCNCC(O)COc2cccc(C)c2)cc1OC | 10.1038/s41467-023-40064-9 | ||
| 3337 | 206367 | 27 | None | -2 | 6 | Human | 5.0 | pAC50 | = | 5.0 | Functional | ChEMBL | 231 | 4 | 1 | 1 | 3.2 | CCNC(C)Cc1cccc(C(F)(F)F)c1 | 10.1038/s41467-023-40064-9 | ||
| 65801 | 206367 | 27 | None | -2 | 6 | Human | 5.0 | pAC50 | = | 5.0 | Functional | ChEMBL | 231 | 4 | 1 | 1 | 3.2 | CCNC(C)Cc1cccc(C(F)(F)F)c1 | 10.1038/s41467-023-40064-9 | ||
| 66264 | 206367 | 27 | None | -2 | 6 | Human | 5.0 | pAC50 | = | 5.0 | Functional | ChEMBL | 231 | 4 | 1 | 1 | 3.2 | CCNC(C)Cc1cccc(C(F)(F)F)c1 | 10.1038/s41467-023-40064-9 | ||
| 91452 | 206367 | 27 | None | -2 | 6 | Human | 5.0 | pAC50 | = | 5.0 | Functional | ChEMBL | 231 | 4 | 1 | 1 | 3.2 | CCNC(C)Cc1cccc(C(F)(F)F)c1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL87493 | 206367 | 27 | None | -2 | 6 | Human | 5.0 | pAC50 | = | 5.0 | Functional | ChEMBL | 231 | 4 | 1 | 1 | 3.2 | CCNC(C)Cc1cccc(C(F)(F)F)c1 | 10.1038/s41467-023-40064-9 | ||
| 2202 | 3132 | 96 | None | -16 | 10 | Human | 6.0 | pAC50 | = | 6.0 | Functional | ChEMBL | 298 | 3 | 0 | 6 | 1.5 | c1cnc(nc1)N1CCN(CC1)Cc1ccc2c(c1)OCO2 | 10.1038/s41467-023-40064-9 | ||
| 4850 | 3132 | 96 | None | -16 | 10 | Human | 6.0 | pAC50 | = | 6.0 | Functional | ChEMBL | 298 | 3 | 0 | 6 | 1.5 | c1cnc(nc1)N1CCN(CC1)Cc1ccc2c(c1)OCO2 | 10.1038/s41467-023-40064-9 | ||
| 49 | 3132 | 96 | None | -16 | 10 | Human | 6.0 | pAC50 | = | 6.0 | Functional | ChEMBL | 298 | 3 | 0 | 6 | 1.5 | c1cnc(nc1)N1CCN(CC1)Cc1ccc2c(c1)OCO2 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1371770 | 3132 | 96 | None | -16 | 10 | Human | 6.0 | pAC50 | = | 6.0 | Functional | ChEMBL | 298 | 3 | 0 | 6 | 1.5 | c1cnc(nc1)N1CCN(CC1)Cc1ccc2c(c1)OCO2 | 10.1038/s41467-023-40064-9 | ||
| DB12478 | 3132 | 96 | None | -16 | 10 | Human | 6.0 | pAC50 | = | 6.0 | Functional | ChEMBL | 298 | 3 | 0 | 6 | 1.5 | c1cnc(nc1)N1CCN(CC1)Cc1ccc2c(c1)OCO2 | 10.1038/s41467-023-40064-9 | ||
| 25382 | 9157 | 37 | None | -263 | 21 | Human | 5.0 | pAC50 | = | 5.0 | Functional | ChEMBL | 291 | 3 | 0 | 1 | 4.7 | CN(C)CCC=C1c2ccccc2C(C)(C)c2ccccc21 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL110094 | 9157 | 37 | None | -263 | 21 | Human | 5.0 | pAC50 | = | 5.0 | Functional | ChEMBL | 291 | 3 | 0 | 1 | 4.7 | CN(C)CCC=C1c2ccccc2C(C)(C)c2ccccc21 | 10.1038/s41467-023-40064-9 | ||
| 135564886 | 14493 | 5 | None | -3 | 25 | Human | 5.0 | pAC50 | = | 5.0 | Functional | ChEMBL | 752 | 14 | 1 | 6 | 8.7 | CC1(C)C(/C=C/C=C/C=C/C=C2\N(CCCCS(=O)(=O)O)c3ccc4ccccc4c3C2(C)C)=[N+](CCCCS(=O)(=O)[O-])c2ccc3ccccc3c21 | 10.1038/s41467-023-40064-9 | ||
| 135673376 | 14493 | 5 | None | -3 | 25 | Human | 5.0 | pAC50 | = | 5.0 | Functional | ChEMBL | 752 | 14 | 1 | 6 | 8.7 | CC1(C)C(/C=C/C=C/C=C/C=C2\N(CCCCS(=O)(=O)O)c3ccc4ccccc4c3C2(C)C)=[N+](CCCCS(=O)(=O)[O-])c2ccc3ccccc3c21 | 10.1038/s41467-023-40064-9 | ||
| 137157436 | 14493 | 5 | None | -3 | 25 | Human | 5.0 | pAC50 | = | 5.0 | Functional | ChEMBL | 752 | 14 | 1 | 6 | 8.7 | CC1(C)C(/C=C/C=C/C=C/C=C2\N(CCCCS(=O)(=O)O)c3ccc4ccccc4c3C2(C)C)=[N+](CCCCS(=O)(=O)[O-])c2ccc3ccccc3c21 | 10.1038/s41467-023-40064-9 | ||
| 145948239 | 14493 | 5 | None | -3 | 25 | Human | 5.0 | pAC50 | = | 5.0 | Functional | ChEMBL | 752 | 14 | 1 | 6 | 8.7 | CC1(C)C(/C=C/C=C/C=C/C=C2\N(CCCCS(=O)(=O)O)c3ccc4ccccc4c3C2(C)C)=[N+](CCCCS(=O)(=O)[O-])c2ccc3ccccc3c21 | 10.1038/s41467-023-40064-9 | ||
| 71587099 | 14493 | 5 | None | -3 | 25 | Human | 5.0 | pAC50 | = | 5.0 | Functional | ChEMBL | 752 | 14 | 1 | 6 | 8.7 | CC1(C)C(/C=C/C=C/C=C/C=C2\N(CCCCS(=O)(=O)O)c3ccc4ccccc4c3C2(C)C)=[N+](CCCCS(=O)(=O)[O-])c2ccc3ccccc3c21 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1201304 | 14493 | 5 | None | -3 | 25 | Human | 5.0 | pAC50 | = | 5.0 | Functional | ChEMBL | 752 | 14 | 1 | 6 | 8.7 | CC1(C)C(/C=C/C=C/C=C/C=C2\N(CCCCS(=O)(=O)O)c3ccc4ccccc4c3C2(C)C)=[N+](CCCCS(=O)(=O)[O-])c2ccc3ccccc3c21 | 10.1038/s41467-023-40064-9 | ||
| 3191 | 102858 | 97 | None | -89 | 33 | Human | 5.0 | pAC50 | = | 5.0 | Functional | ChEMBL | 469 | 9 | 0 | 3 | 7.2 | CC(C)(C)c1ccc(C(=O)CCCN2CCC(OC(c3ccccc3)c3ccccc3)CC2)cc1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL305660 | 102858 | 97 | None | -89 | 33 | Human | 5.0 | pAC50 | = | 5.0 | Functional | ChEMBL | 469 | 9 | 0 | 3 | 7.2 | CC(C)(C)c1ccc(C(=O)CCCN2CCC(OC(c3ccccc3)c3ccccc3)CC2)cc1 | 10.1038/s41467-023-40064-9 | ||
| 2247 | 505 | 81 | None | -323 | 42 | Human | 5.0 | pAC50 | = | 5.0 | Functional | ChEMBL | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | 10.1038/s41467-023-40064-9 | ||
| 249 | 505 | 81 | None | -323 | 42 | Human | 5.0 | pAC50 | = | 5.0 | Functional | ChEMBL | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | 10.1038/s41467-023-40064-9 | ||
| 2603 | 505 | 81 | None | -323 | 42 | Human | 5.0 | pAC50 | = | 5.0 | Functional | ChEMBL | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL296419 | 505 | 81 | None | -323 | 42 | Human | 5.0 | pAC50 | = | 5.0 | Functional | ChEMBL | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | 10.1038/s41467-023-40064-9 | ||
| DB00637 | 505 | 81 | None | -323 | 42 | Human | 5.0 | pAC50 | = | 5.0 | Functional | ChEMBL | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | 10.1038/s41467-023-40064-9 | ||
| 5284550 | 41721 | 15 | None | -512 | 16 | Human | 5.0 | pAC50 | = | 5.0 | Functional | ChEMBL | 295 | 3 | 0 | 2 | 4.7 | CN(C)CC/C=C1\c2ccccc2CSc2ccccc21 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1492500 | 41721 | 15 | None | -512 | 16 | Human | 5.0 | pAC50 | = | 5.0 | Functional | ChEMBL | 295 | 3 | 0 | 2 | 4.7 | CN(C)CC/C=C1\c2ccccc2CSc2ccccc21 | 10.1038/s41467-023-40064-9 | ||
| 521 | 1404 | 69 | None | -4 | 5 | Human | 9.3 | pEC50 | = | 9.3 | Functional | ChEMBL | 200 | 2 | 1 | 1 | 3.2 | Cc1cccc(c1C)[C@@H](c1c[nH]cn1)C | nan | ||
| 5311068 | 1404 | 69 | None | -4 | 5 | Human | 9.3 | pEC50 | = | 9.3 | Functional | ChEMBL | 200 | 2 | 1 | 1 | 3.2 | Cc1cccc(c1C)[C@@H](c1c[nH]cn1)C | nan | ||
| 835 | 1404 | 69 | None | -4 | 5 | Human | 9.3 | pEC50 | = | 9.3 | Functional | ChEMBL | 200 | 2 | 1 | 1 | 3.2 | Cc1cccc(c1C)[C@@H](c1c[nH]cn1)C | nan | ||
| CHEMBL778 | 1404 | 69 | None | -4 | 5 | Human | 9.3 | pEC50 | = | 9.3 | Functional | ChEMBL | 200 | 2 | 1 | 1 | 3.2 | Cc1cccc(c1C)[C@@H](c1c[nH]cn1)C | nan | ||
| DB00633 | 1404 | 69 | None | -4 | 5 | Human | 9.3 | pEC50 | = | 9.3 | Functional | ChEMBL | 200 | 2 | 1 | 1 | 3.2 | Cc1cccc(c1C)[C@@H](c1c[nH]cn1)C | nan | ||
| 1593 | 2340 | 66 | None | -1 | 6 | Human | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | 258 | 3 | 1 | 3 | 2.8 | CC(C1=NCCN1)Oc1c(Cl)cccc1Cl | 10.1016/j.bmc.2012.01.035 | ||
| 30668 | 2340 | 66 | None | -1 | 6 | Human | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | 258 | 3 | 1 | 3 | 2.8 | CC(C1=NCCN1)Oc1c(Cl)cccc1Cl | 10.1016/j.bmc.2012.01.035 | ||
| 9868 | 2340 | 66 | None | -1 | 6 | Human | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | 258 | 3 | 1 | 3 | 2.8 | CC(C1=NCCN1)Oc1c(Cl)cccc1Cl | 10.1016/j.bmc.2012.01.035 | ||
| CHEMBL17860 | 2340 | 66 | None | -1 | 6 | Human | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | 258 | 3 | 1 | 3 | 2.8 | CC(C1=NCCN1)Oc1c(Cl)cccc1Cl | 10.1016/j.bmc.2012.01.035 | ||
| DB04948 | 2340 | 66 | None | -1 | 6 | Human | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | 258 | 3 | 1 | 3 | 2.8 | CC(C1=NCCN1)Oc1c(Cl)cccc1Cl | 10.1016/j.bmc.2012.01.035 | ||
| 57345628 | 71183 | 0 | None | 1659 | 2 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 244 | 5 | 1 | 3 | 2.4 | CC(Oc1ccccc1CC1CC1)C1=NCCN1 | 10.1016/j.bmc.2012.01.035 | ||
| CHEMBL1956195 | 71183 | 0 | None | 1659 | 2 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 244 | 5 | 1 | 3 | 2.4 | CC(Oc1ccccc1CC1CC1)C1=NCCN1 | 10.1016/j.bmc.2012.01.035 | ||
| 57345628 | 71183 | 0 | None | 1659 | 2 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 244 | 5 | 1 | 3 | 2.4 | CC(Oc1ccccc1CC1CC1)C1=NCCN1 | 10.1021/ml300064v | ||
| CHEMBL1956195 | 71183 | 0 | None | 1659 | 2 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 244 | 5 | 1 | 3 | 2.4 | CC(Oc1ccccc1CC1CC1)C1=NCCN1 | 10.1021/ml300064v | ||
| 70695474 | 77672 | 0 | None | 794 | 2 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 244 | 5 | 1 | 3 | 2.4 | C[C@H](Oc1ccccc1CC1CC1)C1=NCCN1 | 10.1021/ml300064v | ||
| CHEMBL2089156 | 77672 | 0 | None | 794 | 2 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 244 | 5 | 1 | 3 | 2.4 | C[C@H](Oc1ccccc1CC1CC1)C1=NCCN1 | 10.1021/ml300064v | ||
| 44292386 | 101482 | 0 | None | 35 | 2 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 296 | 4 | 1 | 3 | 3.5 | C(=C/c1ccccc1)\C[C@H]1C2CCC(C2)[C@H]1NC1=NCCO1 | 10.1021/jm9905256 | ||
| CHEMBL297827 | 101482 | 0 | None | 35 | 2 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 296 | 4 | 1 | 3 | 3.5 | C(=C/c1ccccc1)\C[C@H]1C2CCC(C2)[C@H]1NC1=NCCO1 | 10.1021/jm9905256 | ||
| 16757089 | 92291 | 1 | None | - | 1 | Human | 8.0 | pEC50 | = | 8 | Functional | ChEMBL | 311 | 5 | 1 | 5 | 3.0 | C[C@@H](Oc1ccccc1-c1cccc([N+](=O)[O-])c1)C1=NCCN1 | 10.1021/jm100977d | ||
| CHEMBL242693 | 92291 | 1 | None | - | 1 | Human | 8.0 | pEC50 | = | 8 | Functional | ChEMBL | 311 | 5 | 1 | 5 | 3.0 | C[C@@H](Oc1ccccc1-c1cccc([N+](=O)[O-])c1)C1=NCCN1 | 10.1021/jm100977d | ||
| 57345626 | 71180 | 2 | None | 31 | 2 | Human | 8.0 | pEC50 | = | 8 | Functional | ChEMBL | 268 | 3 | 1 | 3 | 2.2 | CC(Oc1ccccc1Br)C1=NCCN1 | 10.1016/j.bmc.2012.01.035 | ||
| CHEMBL1956192 | 71180 | 2 | None | 31 | 2 | Human | 8.0 | pEC50 | = | 8 | Functional | ChEMBL | 268 | 3 | 1 | 3 | 2.2 | CC(Oc1ccccc1Br)C1=NCCN1 | 10.1016/j.bmc.2012.01.035 | ||
| 24906199 | 187665 | 15 | None | 6 | 3 | Human | 8.0 | pEC50 | = | 8 | Functional | ChEMBL | 258 | 4 | 1 | 3 | 3.1 | CC(Oc1ccccc1C1CCCC1)C1=NCCN1 | 10.1021/jm800250z | ||
| CHEMBL495096 | 187665 | 15 | None | 6 | 3 | Human | 8.0 | pEC50 | = | 8 | Functional | ChEMBL | 258 | 4 | 1 | 3 | 3.1 | CC(Oc1ccccc1C1CCCC1)C1=NCCN1 | 10.1021/jm800250z | ||
| 16757089 | 92291 | 1 | None | - | 1 | Human | 8.0 | pEC50 | = | 8 | Functional | ChEMBL | 311 | 5 | 1 | 5 | 3.0 | C[C@@H](Oc1ccccc1-c1cccc([N+](=O)[O-])c1)C1=NCCN1 | 10.1021/jm061487a | ||
| CHEMBL242693 | 92291 | 1 | None | - | 1 | Human | 8.0 | pEC50 | = | 8 | Functional | ChEMBL | 311 | 5 | 1 | 5 | 3.0 | C[C@@H](Oc1ccccc1-c1cccc([N+](=O)[O-])c1)C1=NCCN1 | 10.1021/jm061487a | ||
| 49836306 | 18575 | 0 | None | 31 | 2 | Human | 7.0 | pEC50 | = | 7 | Functional | ChEMBL | 272 | 4 | 1 | 4 | 3.2 | C[C@@H](Oc1ccccc1-c1ccsc1)C1=NCCN1 | 10.1021/jm100977d | ||
| CHEMBL1276247 | 18575 | 0 | None | 31 | 2 | Human | 7.0 | pEC50 | = | 7 | Functional | ChEMBL | 272 | 4 | 1 | 4 | 3.2 | C[C@@H](Oc1ccccc1-c1ccsc1)C1=NCCN1 | 10.1021/jm100977d | ||
| 11361608 | 84745 | 1 | None | - | 1 | Human | 7.0 | pEC50 | = | 7 | Functional | ChEMBL | 311 | 5 | 1 | 5 | 3.0 | CC(Oc1ccccc1-c1cccc([N+](=O)[O-])c1)C1=NCCN1 | 10.1021/jm100977d | ||
| CHEMBL222928 | 84745 | 1 | None | - | 1 | Human | 7.0 | pEC50 | = | 7 | Functional | ChEMBL | 311 | 5 | 1 | 5 | 3.0 | CC(Oc1ccccc1-c1cccc([N+](=O)[O-])c1)C1=NCCN1 | 10.1021/jm100977d | ||
| 11361608 | 84745 | 1 | None | - | 1 | Human | 7.0 | pEC50 | = | 7 | Functional | ChEMBL | 311 | 5 | 1 | 5 | 3.0 | CC(Oc1ccccc1-c1cccc([N+](=O)[O-])c1)C1=NCCN1 | 10.1021/jm0408215 | ||
| CHEMBL222928 | 84745 | 1 | None | - | 1 | Human | 7.0 | pEC50 | = | 7 | Functional | ChEMBL | 311 | 5 | 1 | 5 | 3.0 | CC(Oc1ccccc1-c1cccc([N+](=O)[O-])c1)C1=NCCN1 | 10.1021/jm0408215 | ||
| 44269140 | 33553 | 0 | None | 17 | 2 | Human | 7.0 | pEC50 | = | 7 | Functional | ChEMBL | 248 | 5 | 1 | 4 | 2.2 | CC(C)Oc1ccccc1OC(C)C1=NCCN1 | 10.1016/j.bmc.2012.01.035 | ||
| CHEMBL14208 | 33553 | 0 | None | 17 | 2 | Human | 7.0 | pEC50 | = | 7 | Functional | ChEMBL | 248 | 5 | 1 | 4 | 2.2 | CC(C)Oc1ccccc1OC(C)C1=NCCN1 | 10.1016/j.bmc.2012.01.035 | ||
| 44371745 | 49289 | 0 | None | 100 | 2 | Human | 7.0 | pEC50 | = | 7 | Functional | ChEMBL | 218 | 4 | 1 | 3 | 2.0 | CCc1ccccc1OC(C)C1=NCCN1 | 10.1016/j.bmc.2012.01.035 | ||
| CHEMBL156336 | 49289 | 0 | None | 100 | 2 | Human | 7.0 | pEC50 | = | 7 | Functional | ChEMBL | 218 | 4 | 1 | 3 | 2.0 | CCc1ccccc1OC(C)C1=NCCN1 | 10.1016/j.bmc.2012.01.035 | ||
| 57402718 | 71189 | 2 | None | -3 | 3 | Human | 7.0 | pEC50 | = | 7 | Functional | ChEMBL | 218 | 4 | 1 | 4 | 1.3 | CC(Oc1ccccc1C=O)C1=NCCN1 | 10.1016/j.bmc.2012.01.035 | ||
| CHEMBL1956201 | 71189 | 2 | None | -3 | 3 | Human | 7.0 | pEC50 | = | 7 | Functional | ChEMBL | 218 | 4 | 1 | 4 | 1.3 | CC(Oc1ccccc1C=O)C1=NCCN1 | 10.1016/j.bmc.2012.01.035 | ||
| 11097789 | 102998 | 1 | None | -16 | 5 | Human | 7.0 | pEC50 | = | 7 | Functional | ChEMBL | 239 | 4 | 2 | 4 | 2.0 | CSc1cc(F)ccc1NCC1=NCCN1 | 10.1021/jm000542r | ||
| CHEMBL306792 | 102998 | 1 | None | -16 | 5 | Human | 7.0 | pEC50 | = | 7 | Functional | ChEMBL | 239 | 4 | 2 | 4 | 2.0 | CSc1cc(F)ccc1NCC1=NCCN1 | 10.1021/jm000542r | ||
| 11361608 | 84745 | 1 | None | - | 1 | Human | 7.0 | pEC50 | = | 7 | Functional | ChEMBL | 311 | 5 | 1 | 5 | 3.0 | CC(Oc1ccccc1-c1cccc([N+](=O)[O-])c1)C1=NCCN1 | 10.1021/jm061487a | ||
| CHEMBL222928 | 84745 | 1 | None | - | 1 | Human | 7.0 | pEC50 | = | 7 | Functional | ChEMBL | 311 | 5 | 1 | 5 | 3.0 | CC(Oc1ccccc1-c1cccc([N+](=O)[O-])c1)C1=NCCN1 | 10.1021/jm061487a | ||
| 24906196 | 187246 | 0 | None | - | 1 | Human | 6.0 | pEC50 | = | 6 | Functional | ChEMBL | 261 | 6 | 1 | 5 | 1.8 | CCO/N=C/c1ccccc1OC(C)C1=NCCN1 | 10.1021/jm800250z | ||
| CHEMBL492639 | 187246 | 0 | None | - | 1 | Human | 6.0 | pEC50 | = | 6 | Functional | ChEMBL | 261 | 6 | 1 | 5 | 1.8 | CCO/N=C/c1ccccc1OC(C)C1=NCCN1 | 10.1021/jm800250z | ||
| 135453290 | 133606 | 33 | None | -5011 | 7 | Human | 5.0 | pEC50 | = | 5 | Functional | ChEMBL | 191 | 2 | 2 | 4 | 1.1 | C[C@H](N)Cn1ncc2ccc(O)cc21 | 10.1021/jm050663x | ||
| CHEMBL371300 | 133606 | 33 | None | -5011 | 7 | Human | 5.0 | pEC50 | = | 5 | Functional | ChEMBL | 191 | 2 | 2 | 4 | 1.1 | C[C@H](N)Cn1ncc2ccc(O)cc21 | 10.1021/jm050663x | ||
| 57399145 | 71184 | 0 | None | -3 | 2 | Human | 5.0 | pEC50 | = | 5 | Functional | ChEMBL | 234 | 5 | 1 | 4 | 1.9 | CCOc1ccccc1OC(C)C1=NCCN1 | 10.1016/j.bmc.2012.01.035 | ||
| CHEMBL1956196 | 71184 | 0 | None | -3 | 2 | Human | 5.0 | pEC50 | = | 5 | Functional | ChEMBL | 234 | 5 | 1 | 4 | 1.9 | CCOc1ccccc1OC(C)C1=NCCN1 | 10.1016/j.bmc.2012.01.035 | ||
| 131829 | 204727 | 15 | None | -37 | 3 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 295 | 1 | 4 | 5 | 1.7 | Brc1c(NC2=NCCN2)ccc2c1NCCN2 | 10.1016/0960-894X(95)00391-6 | ||
| CHEMBL74283 | 204727 | 15 | None | -37 | 3 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 295 | 1 | 4 | 5 | 1.7 | Brc1c(NC2=NCCN2)ccc2c1NCCN2 | 10.1016/0960-894X(95)00391-6 | ||
| 9859437 | 168022 | 0 | None | 1 | 3 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 230 | 2 | 3 | 4 | 2.3 | Cc1c(Nc2ncc[nH]2)ccc2c1NCCO2 | 10.1021/jm9605142 | ||
| CHEMBL432155 | 168022 | 0 | None | 1 | 3 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 230 | 2 | 3 | 4 | 2.3 | Cc1c(Nc2ncc[nH]2)ccc2c1NCCO2 | 10.1021/jm9605142 | ||
| 11043720 | 92172 | 0 | None | 257 | 3 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 266 | 4 | 1 | 3 | 3.1 | C[C@@H](Oc1ccccc1-c1ccccc1)C1=NCCN1 | 10.1021/jm100977d | ||
| CHEMBL242265 | 92172 | 0 | None | 257 | 3 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 266 | 4 | 1 | 3 | 3.1 | C[C@@H](Oc1ccccc1-c1ccccc1)C1=NCCN1 | 10.1021/jm100977d | ||
| 11043720 | 92172 | 0 | None | 257 | 3 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 266 | 4 | 1 | 3 | 3.1 | C[C@@H](Oc1ccccc1-c1ccccc1)C1=NCCN1 | 10.1021/jm061487a | ||
| CHEMBL242265 | 92172 | 0 | None | 257 | 3 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 266 | 4 | 1 | 3 | 3.1 | C[C@@H](Oc1ccccc1-c1ccccc1)C1=NCCN1 | 10.1021/jm061487a | ||
| 10221005 | 204322 | 0 | None | -575 | 3 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 267 | 4 | 2 | 5 | 0.8 | Cc1ccc(S(C)(=O)=O)c(NCC2=NCCN2)c1 | 10.1021/jm000542r | ||
| CHEMBL71479 | 204322 | 0 | None | -575 | 3 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 267 | 4 | 2 | 5 | 0.8 | Cc1ccc(S(C)(=O)=O)c(NCC2=NCCN2)c1 | 10.1021/jm000542r | ||
| 57345627 | 71182 | 0 | None | 13 | 2 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 230 | 4 | 1 | 3 | 2.5 | C=C(C)c1ccccc1OC(C)C1=NCCN1 | 10.1016/j.bmc.2012.01.035 | ||
| CHEMBL1956194 | 71182 | 0 | None | 13 | 2 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 230 | 4 | 1 | 3 | 2.5 | C=C(C)c1ccccc1OC(C)C1=NCCN1 | 10.1016/j.bmc.2012.01.035 | ||
| 2683 | 3834 | 60 | None | -5 | 6 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 253 | 1 | 2 | 6 | 1.7 | Clc1ccc2c(c1NC1=NCCN1)nsn2 | nan | ||
| 5487 | 3834 | 60 | None | -5 | 6 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 253 | 1 | 2 | 6 | 1.7 | Clc1ccc2c(c1NC1=NCCN1)nsn2 | nan | ||
| 7308 | 3834 | 60 | None | -5 | 6 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 253 | 1 | 2 | 6 | 1.7 | Clc1ccc2c(c1NC1=NCCN1)nsn2 | nan | ||
| CHEMBL1079 | 3834 | 60 | None | -5 | 6 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 253 | 1 | 2 | 6 | 1.7 | Clc1ccc2c(c1NC1=NCCN1)nsn2 | nan | ||
| DB00697 | 3834 | 60 | None | -5 | 6 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 253 | 1 | 2 | 6 | 1.7 | Clc1ccc2c(c1NC1=NCCN1)nsn2 | nan | ||
| 49836304 | 18571 | 1 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 230 | 4 | 1 | 3 | 2.3 | C[C@@H](Oc1ccccc1C1CC1)C1=NCCN1 | 10.1021/jm100977d | ||
| CHEMBL1276219 | 18571 | 1 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 230 | 4 | 1 | 3 | 2.3 | C[C@@H](Oc1ccccc1C1CC1)C1=NCCN1 | 10.1021/jm100977d | ||
| 24906159 | 187405 | 12 | None | 3 | 3 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 233 | 4 | 2 | 5 | 1.3 | CC(Oc1ccccc1/C=N/O)C1=NCCN1 | 10.1021/jm800250z | ||
| CHEMBL493675 | 187405 | 12 | None | 3 | 3 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 233 | 4 | 2 | 5 | 1.3 | CC(Oc1ccccc1/C=N/O)C1=NCCN1 | 10.1021/jm800250z | ||
| 44292385 | 101121 | 0 | None | - | 1 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 270 | 3 | 1 | 3 | 2.6 | c1ccc(C[C@H]2C3CCC(C3)[C@H]2NC2=NCCO2)cc1 | 10.1021/jm9905256 | ||
| CHEMBL295186 | 101121 | 0 | None | - | 1 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 270 | 3 | 1 | 3 | 2.6 | c1ccc(C[C@H]2C3CCC(C3)[C@H]2NC2=NCCO2)cc1 | 10.1021/jm9905256 | ||
| 1242 | 3613 | 27 | None | -10 | 3 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 255 | 1 | 3 | 3 | 2.4 | Oc1cc2CCNCC(c2cc1O)c1ccccc1 | 10.1016/j.bmc.2015.01.013 | ||
| 935 | 3613 | 27 | None | -10 | 3 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 255 | 1 | 3 | 3 | 2.4 | Oc1cc2CCNCC(c2cc1O)c1ccccc1 | 10.1016/j.bmc.2015.01.013 | ||
| CHEMBL286080 | 3613 | 27 | None | -10 | 3 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 255 | 1 | 3 | 3 | 2.4 | Oc1cc2CCNCC(c2cc1O)c1ccccc1 | 10.1016/j.bmc.2015.01.013 | ||
| 185076 | 187090 | 5 | None | -11 | 3 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 227 | 1 | 2 | 5 | 1.3 | Cc1c(NC2=NCCN2)ccc2nccnc12 | 10.1016/0960-894X(95)00391-6 | ||
| CHEMBL49137 | 187090 | 5 | None | -11 | 3 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 227 | 1 | 2 | 5 | 1.3 | Cc1c(NC2=NCCN2)ccc2nccnc12 | 10.1016/0960-894X(95)00391-6 | ||
| 42669828 | 121718 | 2 | None | - | 1 | Human | 3.8 | pEC50 | = | 3.8 | Functional | ChEMBL | 243 | 5 | 1 | 3 | 2.7 | Cc1ccccc1Cn1ccnc1CNC(C)C | 10.1016/j.bmc.2015.01.013 | ||
| CHEMBL3588911 | 121718 | 2 | None | - | 1 | Human | 3.8 | pEC50 | = | 3.8 | Functional | ChEMBL | 243 | 5 | 1 | 3 | 2.7 | Cc1ccccc1Cn1ccnc1CNC(C)C | 10.1016/j.bmc.2015.01.013 | ||
| 11140345 | 204171 | 0 | None | -2 | 5 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 239 | 4 | 2 | 4 | 2.0 | CSc1c(F)cccc1NCC1=NCCN1 | 10.1021/jm000542r | ||
| CHEMBL70692 | 204171 | 0 | None | -2 | 5 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 239 | 4 | 2 | 4 | 2.0 | CSc1c(F)cccc1NCC1=NCCN1 | 10.1021/jm000542r | ||
| 45487962 | 197485 | 0 | None | -2 | 2 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 218 | 4 | 1 | 3 | 2.1 | CCCc1ccccc1COC1=NCCN1 | 10.1021/jm901262f | ||
| CHEMBL569933 | 197485 | 0 | None | -2 | 2 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 218 | 4 | 1 | 3 | 2.1 | CCCc1ccccc1COC1=NCCN1 | 10.1021/jm901262f | ||
| 11361608 | 84745 | 1 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 311 | 5 | 1 | 5 | 3.0 | CC(Oc1ccccc1-c1cccc([N+](=O)[O-])c1)C1=NCCN1 | 10.1021/jm0408215 | ||
| CHEMBL222928 | 84745 | 1 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 311 | 5 | 1 | 5 | 3.0 | CC(Oc1ccccc1-c1cccc([N+](=O)[O-])c1)C1=NCCN1 | 10.1021/jm0408215 | ||
| 11277479 | 84750 | 0 | None | - | 1 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 280 | 4 | 1 | 3 | 3.4 | Cc1cccc(-c2ccccc2OC(C)C2=NCCN2)c1 | 10.1021/jm0408215 | ||
| CHEMBL222973 | 84750 | 0 | None | - | 1 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 280 | 4 | 1 | 3 | 3.4 | Cc1cccc(-c2ccccc2OC(C)C2=NCCN2)c1 | 10.1021/jm0408215 | ||
| 57345625 | 71179 | 0 | None | -1 | 2 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 224 | 3 | 1 | 3 | 2.1 | CC(Oc1ccccc1Cl)C1=NCCN1 | 10.1016/j.bmc.2012.01.035 | ||
| CHEMBL1956191 | 71179 | 0 | None | -1 | 2 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 224 | 3 | 1 | 3 | 2.1 | CC(Oc1ccccc1Cl)C1=NCCN1 | 10.1016/j.bmc.2012.01.035 | ||
| 13178306 | 121709 | 2 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 187 | 3 | 2 | 2 | 2.3 | Cc1ccccc1NCc1cnc[nH]1 | 10.1016/j.bmc.2015.01.013 | ||
| CHEMBL3588902 | 121709 | 2 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 187 | 3 | 2 | 2 | 2.3 | Cc1ccccc1NCc1cnc[nH]1 | 10.1016/j.bmc.2015.01.013 | ||
| 10333157 | 151238 | 0 | None | 3 | 3 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 266 | 4 | 1 | 3 | 3.1 | C[C@H](Oc1ccccc1-c1ccccc1)C1=NCCN1 | 10.1021/jm100977d | ||
| CHEMBL396013 | 151238 | 0 | None | 3 | 3 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 266 | 4 | 1 | 3 | 3.1 | C[C@H](Oc1ccccc1-c1ccccc1)C1=NCCN1 | 10.1021/jm100977d | ||
| 10333157 | 151238 | 0 | None | 3 | 3 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 266 | 4 | 1 | 3 | 3.1 | C[C@H](Oc1ccccc1-c1ccccc1)C1=NCCN1 | 10.1021/jm061487a | ||
| CHEMBL396013 | 151238 | 0 | None | 3 | 3 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 266 | 4 | 1 | 3 | 3.1 | C[C@H](Oc1ccccc1-c1ccccc1)C1=NCCN1 | 10.1021/jm061487a | ||
| 49836302 | 18566 | 1 | None | - | 1 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 230 | 5 | 1 | 3 | 2.2 | C=CCc1ccccc1O[C@H](C)C1=NCCN1 | 10.1021/jm100977d | ||
| CHEMBL1276139 | 18566 | 1 | None | - | 1 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 230 | 5 | 1 | 3 | 2.2 | C=CCc1ccccc1O[C@H](C)C1=NCCN1 | 10.1021/jm100977d | ||
| 49836302 | 18566 | 1 | None | - | 1 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 230 | 5 | 1 | 3 | 2.2 | C=CCc1ccccc1O[C@H](C)C1=NCCN1 | 10.1021/ml300064v | ||
| CHEMBL1276139 | 18566 | 1 | None | - | 1 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 230 | 5 | 1 | 3 | 2.2 | C=CCc1ccccc1O[C@H](C)C1=NCCN1 | 10.1021/ml300064v | ||
| 68712 | 100338 | 60 | None | -1 | 7 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 180 | 3 | 1 | 3 | 1.2 | C1COC(NC(C2CC2)C2CC2)=N1 | 10.1016/0960-894X(94)85032-1 | ||
| CHEMBL289480 | 100338 | 60 | None | -1 | 7 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 180 | 3 | 1 | 3 | 1.2 | C1COC(NC(C2CC2)C2CC2)=N1 | 10.1016/0960-894X(94)85032-1 | ||
| 57395731 | 71190 | 0 | None | -3 | 3 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 232 | 4 | 1 | 4 | 1.7 | CC(=O)c1ccccc1OC(C)C1=NCCN1 | 10.1016/j.bmc.2012.01.035 | ||
| CHEMBL1956202 | 71190 | 0 | None | -3 | 3 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 232 | 4 | 1 | 4 | 1.7 | CC(=O)c1ccccc1OC(C)C1=NCCN1 | 10.1016/j.bmc.2012.01.035 | ||
| 481 | 2892 | 7 | None | -8 | 2 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 248 | 4 | 3 | 4 | 0.2 | NC[C@@H](c1cc(ccc1F)NS(=O)(=O)C)O | 10.1021/jm000542r | ||
| 9838763 | 2892 | 7 | None | -8 | 2 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 248 | 4 | 3 | 4 | 0.2 | NC[C@@H](c1cc(ccc1F)NS(=O)(=O)C)O | 10.1021/jm000542r | ||
| CHEMBL72958 | 2892 | 7 | None | -8 | 2 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 248 | 4 | 3 | 4 | 0.2 | NC[C@@H](c1cc(ccc1F)NS(=O)(=O)C)O | 10.1021/jm000542r | ||
| 10199335 | 204747 | 0 | None | -120 | 2 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 271 | 4 | 2 | 5 | 0.6 | CS(=O)(=O)c1ccc(F)cc1NCC1=NCCN1 | 10.1021/jm000542r | ||
| CHEMBL74467 | 204747 | 0 | None | -120 | 2 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 271 | 4 | 2 | 5 | 0.6 | CS(=O)(=O)c1ccc(F)cc1NCC1=NCCN1 | 10.1021/jm000542r | ||
| 218362 | 204800 | 5 | None | -1 | 3 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 216 | 1 | 1 | 3 | 2.0 | c1ccc2c(c1)CCCC2NC1=NCCO1 | 10.1016/0960-894X(94)85032-1 | ||
| CHEMBL75030 | 204800 | 5 | None | -1 | 3 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 216 | 1 | 1 | 3 | 2.0 | c1ccc2c(c1)CCCC2NC1=NCCO1 | 10.1016/0960-894X(94)85032-1 | ||
| 11109088 | 204180 | 0 | None | -6 | 5 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 255 | 4 | 2 | 4 | 2.5 | CSc1ccc(Cl)cc1NCC1=NCCN1 | 10.1021/jm000542r | ||
| CHEMBL70751 | 204180 | 0 | None | -6 | 5 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 255 | 4 | 2 | 4 | 2.5 | CSc1ccc(Cl)cc1NCC1=NCCN1 | 10.1021/jm000542r | ||
| 23622576 | 172772 | 0 | None | 3 | 3 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 272 | 4 | 1 | 3 | 3.5 | CC(Oc1ccccc1C1CCCCC1)C1=NCCN1 | 10.1021/jm800250z | ||
| CHEMBL451229 | 172772 | 0 | None | 3 | 3 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 272 | 4 | 1 | 3 | 3.5 | CC(Oc1ccccc1C1CCCCC1)C1=NCCN1 | 10.1021/jm800250z | ||
| 44292232 | 101321 | 0 | None | -1 | 3 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 222 | 3 | 1 | 3 | 2.2 | CCC[C@H]1C2CCC(C2)[C@H]1NC1=NCCO1 | 10.1021/jm9905256 | ||
| CHEMBL296660 | 101321 | 0 | None | -1 | 3 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 222 | 3 | 1 | 3 | 2.2 | CCC[C@H]1C2CCC(C2)[C@H]1NC1=NCCO1 | 10.1021/jm9905256 | ||
| 44314200 | 102952 | 0 | None | 1 | 3 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 230 | 1 | 1 | 3 | 2.4 | c1ccc2c(c1)CCCC2NC1=NCCCO1 | 10.1016/0960-894X(94)85032-1 | ||
| CHEMBL306377 | 102952 | 0 | None | 1 | 3 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 230 | 1 | 1 | 3 | 2.4 | c1ccc2c(c1)CCCC2NC1=NCCCO1 | 10.1016/0960-894X(94)85032-1 | ||
| 45487955 | 198310 | 0 | None | 125 | 2 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 232 | 4 | 1 | 3 | 2.7 | CCCc1ccccc1C(C)OC1=NCCN1 | 10.1021/jm901262f | ||
| CHEMBL576078 | 198310 | 0 | None | 125 | 2 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 232 | 4 | 1 | 3 | 2.7 | CCCc1ccccc1C(C)OC1=NCCN1 | 10.1021/jm901262f | ||
| 49836301 | 18567 | 1 | None | 39 | 2 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 230 | 5 | 1 | 3 | 2.2 | C=CCc1ccccc1O[C@@H](C)C1=NCCN1 | 10.1021/jm100977d | ||
| CHEMBL1276140 | 18567 | 1 | None | 39 | 2 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 230 | 5 | 1 | 3 | 2.2 | C=CCc1ccccc1O[C@@H](C)C1=NCCN1 | 10.1021/jm100977d | ||
| 49836308 | 18784 | 0 | None | - | 1 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 282 | 4 | 2 | 4 | 2.8 | C[C@@H](Oc1ccccc1-c1cccc(O)c1)C1=NCCN1 | 10.1021/jm100977d | ||
| CHEMBL1278084 | 18784 | 0 | None | - | 1 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 282 | 4 | 2 | 4 | 2.8 | C[C@@H](Oc1ccccc1-c1cccc(O)c1)C1=NCCN1 | 10.1021/jm100977d | ||
| 49836301 | 18567 | 1 | None | 39 | 2 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 230 | 5 | 1 | 3 | 2.2 | C=CCc1ccccc1O[C@@H](C)C1=NCCN1 | 10.1021/ml300064v | ||
| CHEMBL1276140 | 18567 | 1 | None | 39 | 2 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 230 | 5 | 1 | 3 | 2.2 | C=CCc1ccccc1O[C@@H](C)C1=NCCN1 | 10.1021/ml300064v | ||
| 49836307 | 18785 | 0 | None | - | 1 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 282 | 4 | 2 | 4 | 2.8 | C[C@H](Oc1ccccc1-c1cccc(O)c1)C1=NCCN1 | 10.1021/jm100977d | ||
| CHEMBL1278085 | 18785 | 0 | None | - | 1 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 282 | 4 | 2 | 4 | 2.8 | C[C@H](Oc1ccccc1-c1cccc(O)c1)C1=NCCN1 | 10.1021/jm100977d | ||
| 10266032 | 188881 | 0 | None | - | 1 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 286 | 5 | 1 | 3 | 3.5 | c1ccc(CCC[C@H]2CCCC[C@@H]2NC2=NCCO2)cc1 | 10.1021/jm9905256 | ||
| CHEMBL50720 | 188881 | 0 | None | - | 1 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 286 | 5 | 1 | 3 | 3.5 | c1ccc(CCC[C@H]2CCCC[C@@H]2NC2=NCCO2)cc1 | 10.1021/jm9905256 | ||
| 44421258 | 84746 | 0 | None | 1 | 2 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 264 | 3 | 1 | 3 | 2.8 | c1ccc(-c2ccccc2C2OC2C2=NCCN2)cc1 | 10.1021/jm0408215 | ||
| CHEMBL1204386 | 84746 | 0 | None | 1 | 2 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 264 | 3 | 1 | 3 | 2.8 | c1ccc(-c2ccccc2C2OC2C2=NCCN2)cc1 | 10.1021/jm0408215 | ||
| CHEMBL222933 | 84746 | 0 | None | 1 | 2 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 264 | 3 | 1 | 3 | 2.8 | c1ccc(-c2ccccc2C2OC2C2=NCCN2)cc1 | 10.1021/jm0408215 | ||
| 44371755 | 48777 | 0 | None | -1 | 3 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 218 | 3 | 1 | 3 | 2.1 | Cc1cccc(C)c1OC(C)C1=NCCN1 | 10.1016/j.bmc.2012.01.035 | ||
| CHEMBL155866 | 48777 | 0 | None | -1 | 3 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 218 | 3 | 1 | 3 | 2.1 | Cc1cccc(C)c1OC(C)C1=NCCN1 | 10.1016/j.bmc.2012.01.035 | ||
| 44371864 | 51141 | 0 | None | -2 | 3 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 246 | 5 | 1 | 3 | 2.6 | CCc1cccc(CC)c1OC(C)C1=NCCN1 | 10.1016/j.bmc.2012.01.035 | ||
| CHEMBL157955 | 51141 | 0 | None | -2 | 3 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 246 | 5 | 1 | 3 | 2.6 | CCc1cccc(CC)c1OC(C)C1=NCCN1 | 10.1016/j.bmc.2012.01.035 | ||
| 11000184 | 13052 | 0 | None | -8 | 5 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 235 | 5 | 2 | 4 | 2.2 | CCSc1ccccc1NCC1=NCCN1 | 10.1021/jm000542r | ||
| CHEMBL1190038 | 13052 | 0 | None | -8 | 5 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 235 | 5 | 2 | 4 | 2.2 | CCSc1ccccc1NCC1=NCCN1 | 10.1021/jm000542r | ||
| CHEMBL540035 | 13052 | 0 | None | -8 | 5 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 235 | 5 | 2 | 4 | 2.2 | CCSc1ccccc1NCC1=NCCN1 | 10.1021/jm000542r | ||
| 10859076 | 13682 | 0 | None | -5 | 4 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 249 | 5 | 2 | 4 | 2.6 | CC(C)Sc1ccccc1NCC1=NCCN1 | 10.1021/jm000542r | ||
| CHEMBL1194763 | 13682 | 0 | None | -5 | 4 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 249 | 5 | 2 | 4 | 2.6 | CC(C)Sc1ccccc1NCC1=NCCN1 | 10.1021/jm000542r | ||
| CHEMBL553276 | 13682 | 0 | None | -5 | 4 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 249 | 5 | 2 | 4 | 2.6 | CC(C)Sc1ccccc1NCC1=NCCN1 | 10.1021/jm000542r | ||
| 45487958 | 198391 | 0 | None | -1 | 2 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 190 | 2 | 1 | 3 | 1.5 | Cc1ccccc1COC1=NCCN1 | 10.1021/jm901262f | ||
| CHEMBL576819 | 198391 | 0 | None | -1 | 2 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 190 | 2 | 1 | 3 | 1.5 | Cc1ccccc1COC1=NCCN1 | 10.1021/jm901262f | ||
| 2435 | 722 | 100 | None | -7 | 10 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | 10.1021/jm9605142 | ||
| 395 | 722 | 100 | None | -7 | 10 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | 10.1021/jm9605142 | ||
| 520 | 722 | 100 | None | -7 | 10 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | 10.1021/jm9605142 | ||
| 5386 | 722 | 100 | None | -7 | 10 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | 10.1021/jm9605142 | ||
| CHEMBL844 | 722 | 100 | None | -7 | 10 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | 10.1021/jm9605142 | ||
| DB00484 | 722 | 100 | None | -7 | 10 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | 10.1021/jm9605142 | ||
| 3086326 | 204531 | 22 | None | -13 | 3 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 247 | 1 | 2 | 5 | 1.7 | Clc1c(NC2=NCCN2)ccc2nccnc12 | 10.1016/0960-894X(95)00391-6 | ||
| CHEMBL72753 | 204531 | 22 | None | -13 | 3 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 247 | 1 | 2 | 5 | 1.7 | Clc1c(NC2=NCCN2)ccc2nccnc12 | 10.1016/0960-894X(95)00391-6 | ||
| 57400959 | 71188 | 0 | None | 1 | 3 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 268 | 4 | 1 | 5 | 0.9 | CC(Oc1ccccc1S(C)(=O)=O)C1=NCCN1 | 10.1016/j.bmc.2012.01.035 | ||
| CHEMBL1956200 | 71188 | 0 | None | 1 | 3 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 268 | 4 | 1 | 5 | 0.9 | CC(Oc1ccccc1S(C)(=O)=O)C1=NCCN1 | 10.1016/j.bmc.2012.01.035 | ||
| 70693375 | 77671 | 0 | None | 12 | 2 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 244 | 5 | 1 | 3 | 2.4 | C[C@@H](Oc1ccccc1CC1CC1)C1=NCCN1 | 10.1021/ml300064v | ||
| CHEMBL2089155 | 77671 | 0 | None | 12 | 2 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 244 | 5 | 1 | 3 | 2.4 | C[C@@H](Oc1ccccc1CC1CC1)C1=NCCN1 | 10.1021/ml300064v | ||
| 24906241 | 192817 | 0 | None | 7 | 2 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 280 | 2 | 1 | 4 | 2.5 | c1ccc(-c2cccc3c2OC(C2=NCCN2)CO3)cc1 | 10.1021/jm800250z | ||
| CHEMBL522151 | 192817 | 0 | None | 7 | 2 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 280 | 2 | 1 | 4 | 2.5 | c1ccc(-c2cccc3c2OC(C2=NCCN2)CO3)cc1 | 10.1021/jm800250z | ||
| 434526 | 77568 | 28 | None | - | 1 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 194 | 3 | 1 | 4 | 1.9 | NCCSc1nc2ccccc2o1 | 10.1016/j.bmc.2015.01.013 | ||
| CHEMBL2087646 | 77568 | 28 | None | - | 1 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 194 | 3 | 1 | 4 | 1.9 | NCCSc1nc2ccccc2o1 | 10.1016/j.bmc.2015.01.013 | ||
| 9816461 | 10719 | 7 | None | -60 | 2 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 253 | 4 | 2 | 5 | 0.5 | CS(=O)(=O)c1ccccc1NCC1=NCCN1 | 10.1021/jm000542r | ||
| CHEMBL117094 | 10719 | 7 | None | -60 | 2 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 253 | 4 | 2 | 5 | 0.5 | CS(=O)(=O)c1ccccc1NCC1=NCCN1 | 10.1021/jm000542r | ||
| CHEMBL544290 | 10719 | 7 | None | -60 | 2 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 253 | 4 | 2 | 5 | 0.5 | CS(=O)(=O)c1ccccc1NCC1=NCCN1 | 10.1021/jm000542r | ||
| 32238 | 22655 | 114 | None | - | 1 | Human | 3.5 | pEC50 | = | 3.5 | Functional | ChEMBL | 256 | 3 | 1 | 3 | 2.9 | OC(Cn1ccnc1)c1ccc(Cl)cc1Cl | 10.1016/j.bmc.2015.01.013 | ||
| CHEMBL1327 | 22655 | 114 | None | - | 1 | Human | 3.5 | pEC50 | = | 3.5 | Functional | ChEMBL | 256 | 3 | 1 | 3 | 2.9 | OC(Cn1ccnc1)c1ccc(Cl)cc1Cl | 10.1016/j.bmc.2015.01.013 | ||
| 2146 | 3100 | 67 | None | -181 | 14 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 167 | 3 | 3 | 3 | 0.6 | CNC[C@@H](c1cccc(c1)O)O | nan | ||
| 485 | 3100 | 67 | None | -181 | 14 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 167 | 3 | 3 | 3 | 0.6 | CNC[C@@H](c1cccc(c1)O)O | nan | ||
| 6041 | 3100 | 67 | None | -181 | 14 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 167 | 3 | 3 | 3 | 0.6 | CNC[C@@H](c1cccc(c1)O)O | nan | ||
| CHEMBL1215 | 3100 | 67 | None | -181 | 14 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 167 | 3 | 3 | 3 | 0.6 | CNC[C@@H](c1cccc(c1)O)O | nan | ||
| DB00388 | 3100 | 67 | None | -181 | 14 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 167 | 3 | 3 | 3 | 0.6 | CNC[C@@H](c1cccc(c1)O)O | nan | ||
| 122180567 | 121711 | 0 | None | - | 1 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 261 | 4 | 1 | 3 | 3.8 | c1cncc(-c2ccccc2NCc2ccncc2)c1 | 10.1016/j.bmc.2015.01.013 | ||
| CHEMBL3588904 | 121711 | 0 | None | - | 1 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 261 | 4 | 1 | 3 | 3.8 | c1cncc(-c2ccccc2NCc2ccncc2)c1 | 10.1016/j.bmc.2015.01.013 | ||
| 49836303 | 18572 | 1 | None | 89 | 2 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 230 | 4 | 1 | 3 | 2.3 | C[C@H](Oc1ccccc1C1CC1)C1=NCCN1 | 10.1021/jm100977d | ||
| CHEMBL1276220 | 18572 | 1 | None | 89 | 2 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 230 | 4 | 1 | 3 | 2.3 | C[C@H](Oc1ccccc1C1CC1)C1=NCCN1 | 10.1021/jm100977d | ||
| 24906197 | 187666 | 0 | None | 8 | 2 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 323 | 7 | 1 | 5 | 3.0 | CC(Oc1ccccc1/C=N/OCc1ccccc1)C1=NCCN1 | 10.1021/jm800250z | ||
| CHEMBL495097 | 187666 | 0 | None | 8 | 2 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 323 | 7 | 1 | 5 | 3.0 | CC(Oc1ccccc1/C=N/OCc1ccccc1)C1=NCCN1 | 10.1021/jm800250z | ||
| 11300487 | 85002 | 0 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 280 | 4 | 1 | 3 | 3.4 | Cc1ccccc1-c1ccccc1OC(C)C1=NCCN1 | 10.1021/jm0408215 | ||
| CHEMBL223830 | 85002 | 0 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 280 | 4 | 1 | 3 | 3.4 | Cc1ccccc1-c1ccccc1OC(C)C1=NCCN1 | 10.1021/jm0408215 | ||
| 16757089 | 92291 | 1 | None | - | 1 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 311 | 5 | 1 | 5 | 3.0 | C[C@@H](Oc1ccccc1-c1cccc([N+](=O)[O-])c1)C1=NCCN1 | 10.1021/jm061487a | ||
| CHEMBL242693 | 92291 | 1 | None | - | 1 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 311 | 5 | 1 | 5 | 3.0 | C[C@@H](Oc1ccccc1-c1cccc([N+](=O)[O-])c1)C1=NCCN1 | 10.1021/jm061487a | ||
| 45487956 | 198367 | 0 | None | 25 | 2 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 230 | 3 | 1 | 3 | 2.6 | CC(OC1=NCCN1)c1ccccc1C1CC1 | 10.1021/jm901262f | ||
| CHEMBL576623 | 198367 | 0 | None | 25 | 2 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 230 | 3 | 1 | 3 | 2.6 | CC(OC1=NCCN1)c1ccccc1C1CC1 | 10.1021/jm901262f | ||
| 44549156 | 18570 | 0 | None | 79 | 2 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 230 | 4 | 1 | 3 | 2.3 | CC(Oc1ccccc1C1CC1)C1=NCCN1 | 10.1021/jm100977d | ||
| CHEMBL1276218 | 18570 | 0 | None | 79 | 2 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 230 | 4 | 1 | 3 | 2.3 | CC(Oc1ccccc1C1CC1)C1=NCCN1 | 10.1021/jm100977d | ||
| 11265631 | 136409 | 0 | None | 9 | 3 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 267 | 4 | 1 | 4 | 2.5 | CC(Oc1ccccc1-c1cccnc1)C1=NCCN1 | 10.1021/jm0408215 | ||
| CHEMBL373535 | 136409 | 0 | None | 9 | 3 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 267 | 4 | 1 | 4 | 2.5 | CC(Oc1ccccc1-c1cccnc1)C1=NCCN1 | 10.1021/jm0408215 | ||
| 2765 | 943 | 19 | None | -38 | 7 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 216 | 4 | 1 | 3 | 1.9 | C1CN=C(N1)COc1ccccc1C1CC1 | 10.1021/jm901262f | ||
| 515 | 943 | 19 | None | -38 | 7 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 216 | 4 | 1 | 3 | 1.9 | C1CN=C(N1)COc1ccccc1C1CC1 | 10.1021/jm901262f | ||
| CHEMBL13852 | 943 | 19 | None | -38 | 7 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 216 | 4 | 1 | 3 | 1.9 | C1CN=C(N1)COc1ccccc1C1CC1 | 10.1021/jm901262f | ||
| DB09202 | 943 | 19 | None | -38 | 7 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 216 | 4 | 1 | 3 | 1.9 | C1CN=C(N1)COc1ccccc1C1CC1 | 10.1021/jm901262f | ||
| 44269089 | 97005 | 0 | None | -1 | 2 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 232 | 4 | 1 | 3 | 2.6 | CC(Oc1ccccc1C(C)C)C1=NCCN1 | 10.1016/j.bmc.2012.01.035 | ||
| CHEMBL266613 | 97005 | 0 | None | -1 | 2 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 232 | 4 | 1 | 3 | 2.6 | CC(Oc1ccccc1C(C)C)C1=NCCN1 | 10.1016/j.bmc.2012.01.035 | ||
| 44314198 | 104412 | 0 | None | -2 | 3 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 210 | 3 | 1 | 3 | 2.3 | CCC[C@H]1CCCCC1NC1=NCCO1 | 10.1016/0960-894X(94)85032-1 | ||
| CHEMBL310335 | 104412 | 0 | None | -2 | 3 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 210 | 3 | 1 | 3 | 2.3 | CCC[C@H]1CCCCC1NC1=NCCO1 | 10.1016/0960-894X(94)85032-1 | ||
| 9815707 | 101469 | 0 | None | -2 | 3 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 210 | 3 | 1 | 3 | 2.3 | CCC[C@H]1CCCC[C@@H]1NC1=NCCO1 | 10.1021/jm9905256 | ||
| CHEMBL297752 | 101469 | 0 | None | -2 | 3 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 210 | 3 | 1 | 3 | 2.3 | CCC[C@H]1CCCC[C@@H]1NC1=NCCO1 | 10.1021/jm9905256 | ||
| 11058166 | 204705 | 0 | None | -10 | 2 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 271 | 4 | 2 | 5 | 0.6 | CS(=O)(=O)c1cccc(F)c1NCC1=NCCN1 | 10.1021/jm000542r | ||
| CHEMBL74114 | 204705 | 0 | None | -10 | 2 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 271 | 4 | 2 | 5 | 0.6 | CS(=O)(=O)c1cccc(F)c1NCC1=NCCN1 | 10.1021/jm000542r | ||
| 11346584 | 136984 | 0 | None | 112 | 2 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 282 | 4 | 2 | 4 | 2.8 | CC(Oc1ccccc1-c1cccc(O)c1)C1=NCCN1 | 10.1021/jm100977d | ||
| CHEMBL374584 | 136984 | 0 | None | 112 | 2 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 282 | 4 | 2 | 4 | 2.8 | CC(Oc1ccccc1-c1cccc(O)c1)C1=NCCN1 | 10.1021/jm100977d | ||
| 11346584 | 136984 | 0 | None | 112 | 2 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 282 | 4 | 2 | 4 | 2.8 | CC(Oc1ccccc1-c1cccc(O)c1)C1=NCCN1 | 10.1021/jm0408215 | ||
| CHEMBL374584 | 136984 | 0 | None | 112 | 2 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 282 | 4 | 2 | 4 | 2.8 | CC(Oc1ccccc1-c1cccc(O)c1)C1=NCCN1 | 10.1021/jm0408215 | ||
| 11346584 | 136984 | 0 | None | 112 | 2 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 282 | 4 | 2 | 4 | 2.8 | CC(Oc1ccccc1-c1cccc(O)c1)C1=NCCN1 | 10.1021/jm061487a | ||
| CHEMBL374584 | 136984 | 0 | None | 112 | 2 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 282 | 4 | 2 | 4 | 2.8 | CC(Oc1ccccc1-c1cccc(O)c1)C1=NCCN1 | 10.1021/jm061487a | ||
| 57345629 | 71185 | 0 | None | 269 | 2 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 246 | 5 | 1 | 4 | 2.0 | CC(Oc1ccccc1OC1CC1)C1=NCCN1 | 10.1016/j.bmc.2012.01.035 | ||
| CHEMBL1956197 | 71185 | 0 | None | 269 | 2 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 246 | 5 | 1 | 4 | 2.0 | CC(Oc1ccccc1OC1CC1)C1=NCCN1 | 10.1016/j.bmc.2012.01.035 | ||
| 46743607 | 121712 | 0 | None | - | 1 | Human | 3.3 | pEC50 | = | 3.3 | Functional | ChEMBL | 264 | 5 | 2 | 3 | 2.8 | c1ccc(-c2nc(CNCc3cccnc3)c[nH]2)cc1 | 10.1016/j.bmc.2015.01.013 | ||
| CHEMBL3588905 | 121712 | 0 | None | - | 1 | Human | 3.3 | pEC50 | = | 3.3 | Functional | ChEMBL | 264 | 5 | 2 | 3 | 2.8 | c1ccc(-c2nc(CNCc3cccnc3)c[nH]2)cc1 | 10.1016/j.bmc.2015.01.013 | ||
| 11140347 | 204533 | 1 | None | -3 | 5 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 239 | 4 | 2 | 4 | 2.0 | CSc1ccc(F)cc1NCC1=NCCN1 | 10.1021/jm000542r | ||
| CHEMBL72768 | 204533 | 1 | None | -3 | 5 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 239 | 4 | 2 | 4 | 2.0 | CSc1ccc(F)cc1NCC1=NCCN1 | 10.1021/jm000542r | ||
| 11108001 | 10872 | 2 | None | 1 | 5 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 221 | 4 | 2 | 4 | 1.8 | CSc1ccccc1NCC1=NCCN1 | 10.1021/jm000542r | ||
| CHEMBL117248 | 10872 | 2 | None | 1 | 5 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 221 | 4 | 2 | 4 | 1.8 | CSc1ccccc1NCC1=NCCN1 | 10.1021/jm000542r | ||
| CHEMBL540542 | 10872 | 2 | None | 1 | 5 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 221 | 4 | 2 | 4 | 1.8 | CSc1ccccc1NCC1=NCCN1 | 10.1021/jm000542r | ||
| 45487145 | 197659 | 0 | None | 19 | 2 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 230 | 4 | 1 | 3 | 2.5 | C=CCc1ccccc1C(C)OC1=NCCN1 | 10.1021/jm901262f | ||
| CHEMBL570973 | 197659 | 0 | None | 19 | 2 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 230 | 4 | 1 | 3 | 2.5 | C=CCc1ccccc1C(C)OC1=NCCN1 | 10.1021/jm901262f | ||
| 24906198 | 187664 | 3 | None | - | 1 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 230 | 5 | 1 | 3 | 2.2 | C=CCc1ccccc1OC(C)C1=NCCN1 | 10.1021/jm100977d | ||
| CHEMBL495095 | 187664 | 3 | None | - | 1 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 230 | 5 | 1 | 3 | 2.2 | C=CCc1ccccc1OC(C)C1=NCCN1 | 10.1021/jm100977d | ||
| 11265631 | 136409 | 0 | None | 9 | 3 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 267 | 4 | 1 | 4 | 2.5 | CC(Oc1ccccc1-c1cccnc1)C1=NCCN1 | 10.1021/jm0408215 | ||
| CHEMBL373535 | 136409 | 0 | None | 9 | 3 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 267 | 4 | 1 | 4 | 2.5 | CC(Oc1ccccc1-c1cccnc1)C1=NCCN1 | 10.1021/jm0408215 | ||
| 24906198 | 187664 | 3 | None | - | 1 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 230 | 5 | 1 | 3 | 2.2 | C=CCc1ccccc1OC(C)C1=NCCN1 | 10.1021/ml300064v | ||
| CHEMBL495095 | 187664 | 3 | None | - | 1 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 230 | 5 | 1 | 3 | 2.2 | C=CCc1ccccc1OC(C)C1=NCCN1 | 10.1021/ml300064v | ||
| 24906198 | 187664 | 3 | None | - | 1 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 230 | 5 | 1 | 3 | 2.2 | C=CCc1ccccc1OC(C)C1=NCCN1 | 10.1021/jm800250z | ||
| CHEMBL495095 | 187664 | 3 | None | - | 1 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 230 | 5 | 1 | 3 | 2.2 | C=CCc1ccccc1OC(C)C1=NCCN1 | 10.1021/jm800250z | ||
| 11265631 | 136409 | 0 | None | 9 | 3 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 267 | 4 | 1 | 4 | 2.5 | CC(Oc1ccccc1-c1cccnc1)C1=NCCN1 | 10.1021/jm061487a | ||
| CHEMBL373535 | 136409 | 0 | None | 9 | 3 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 267 | 4 | 1 | 4 | 2.5 | CC(Oc1ccccc1-c1cccnc1)C1=NCCN1 | 10.1021/jm061487a | ||
| 11173568 | 84641 | 0 | None | -1 | 2 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 281 | 4 | 2 | 4 | 2.7 | CC(Oc1ccccc1-c1cccc(N)c1)C1=NCCN1 | 10.1021/jm0408215 | ||
| CHEMBL222371 | 84641 | 0 | None | -1 | 2 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 281 | 4 | 2 | 4 | 2.7 | CC(Oc1ccccc1-c1cccc(N)c1)C1=NCCN1 | 10.1021/jm0408215 | ||
| 24906160 | 169456 | 0 | None | - | 1 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 247 | 5 | 1 | 5 | 1.4 | CO/N=C/c1ccccc1OC(C)C1=NCCN1 | 10.1021/jm800250z | ||
| CHEMBL442815 | 169456 | 0 | None | - | 1 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 247 | 5 | 1 | 5 | 1.4 | CO/N=C/c1ccccc1OC(C)C1=NCCN1 | 10.1021/jm800250z | ||
| 11090351 | 163391 | 0 | None | -20 | 2 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 271 | 4 | 2 | 5 | 0.6 | CS(=O)(=O)c1c(F)cccc1NCC1=NCCN1 | 10.1021/jm000542r | ||
| CHEMBL419448 | 163391 | 0 | None | -20 | 2 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 271 | 4 | 2 | 5 | 0.6 | CS(=O)(=O)c1c(F)cccc1NCC1=NCCN1 | 10.1021/jm000542r | ||
| 10221004 | 204231 | 0 | None | -20 | 2 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 267 | 5 | 2 | 5 | 0.9 | CCS(=O)(=O)c1ccccc1NCC1=NCCN1 | 10.1021/jm000542r | ||
| CHEMBL70973 | 204231 | 0 | None | -20 | 2 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 267 | 5 | 2 | 5 | 0.9 | CCS(=O)(=O)c1ccccc1NCC1=NCCN1 | 10.1021/jm000542r | ||
| 11079 | 2733 | 63 | None | -13 | 7 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 210 | 2 | 1 | 2 | 2.4 | C1CN=C(N1)Cc1cccc2c1cccc2 | 10.1016/j.bmc.2015.01.013 | ||
| 3369 | 2733 | 63 | None | -13 | 7 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 210 | 2 | 1 | 2 | 2.4 | C1CN=C(N1)Cc1cccc2c1cccc2 | 10.1016/j.bmc.2015.01.013 | ||
| 4436 | 2733 | 63 | None | -13 | 7 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 210 | 2 | 1 | 2 | 2.4 | C1CN=C(N1)Cc1cccc2c1cccc2 | 10.1016/j.bmc.2015.01.013 | ||
| 5509 | 2733 | 63 | None | -13 | 7 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 210 | 2 | 1 | 2 | 2.4 | C1CN=C(N1)Cc1cccc2c1cccc2 | 10.1016/j.bmc.2015.01.013 | ||
| CHEMBL761 | 2733 | 63 | None | -13 | 7 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 210 | 2 | 1 | 2 | 2.4 | C1CN=C(N1)Cc1cccc2c1cccc2 | 10.1016/j.bmc.2015.01.013 | ||
| DB06711 | 2733 | 63 | None | -13 | 7 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 210 | 2 | 1 | 2 | 2.4 | C1CN=C(N1)Cc1cccc2c1cccc2 | 10.1016/j.bmc.2015.01.013 | ||
| 2803 | 955 | 58 | None | -15 | 14 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | 10.1016/0960-894X(94)85032-1 | ||
| 516 | 955 | 58 | None | -15 | 14 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | 10.1016/0960-894X(94)85032-1 | ||
| 704 | 955 | 58 | None | -15 | 14 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | 10.1016/0960-894X(94)85032-1 | ||
| CHEMBL134 | 955 | 58 | None | -15 | 14 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | 10.1016/0960-894X(94)85032-1 | ||
| DB00575 | 955 | 58 | None | -15 | 14 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | 10.1016/0960-894X(94)85032-1 | ||
| 10382537 | 204166 | 12 | None | -4 | 2 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 339 | 1 | 2 | 5 | 1.6 | Ic1c(NC2=NCCN2)ccc2nccnc12 | 10.1016/0960-894X(95)00391-6 | ||
| CHEMBL70676 | 204166 | 12 | None | -4 | 2 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 339 | 1 | 2 | 5 | 1.6 | Ic1c(NC2=NCCN2)ccc2nccnc12 | 10.1016/0960-894X(95)00391-6 | ||
| 2803 | 955 | 58 | None | -15 | 14 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | nan | ||
| 516 | 955 | 58 | None | -15 | 14 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | nan | ||
| 704 | 955 | 58 | None | -15 | 14 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | nan | ||
| CHEMBL134 | 955 | 58 | None | -15 | 14 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | nan | ||
| DB00575 | 955 | 58 | None | -15 | 14 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | nan | ||
| 44371744 | 50321 | 0 | None | 8 | 2 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 270 | 7 | 1 | 3 | 2.9 | C=CCc1cccc(CC=C)c1OC(C)C1=NCCN1 | 10.1016/j.bmc.2012.01.035 | ||
| CHEMBL157206 | 50321 | 0 | None | 8 | 2 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 270 | 7 | 1 | 3 | 2.9 | C=CCc1cccc(CC=C)c1OC(C)C1=NCCN1 | 10.1016/j.bmc.2012.01.035 | ||
| 135399666 | 168763 | 7 | None | -66 | 6 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 191 | 2 | 2 | 4 | 1.1 | C[C@@H](N)Cn1ncc2ccc(O)cc21 | 10.1021/jm050663x | ||
| CHEMBL437314 | 168763 | 7 | None | -66 | 6 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 191 | 2 | 2 | 4 | 1.1 | C[C@@H](N)Cn1ncc2ccc(O)cc21 | 10.1021/jm050663x | ||
| 2803 | 955 | 58 | None | -15 | 14 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | 10.1021/jm100977d | ||
| 516 | 955 | 58 | None | -15 | 14 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | 10.1021/jm100977d | ||
| 704 | 955 | 58 | None | -15 | 14 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | 10.1021/jm100977d | ||
| CHEMBL134 | 955 | 58 | None | -15 | 14 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | 10.1021/jm100977d | ||
| DB00575 | 955 | 58 | None | -15 | 14 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | 10.1021/jm100977d | ||
| 44352207 | 18856 | 1 | None | 1 | 3 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 266 | 4 | 1 | 3 | 3.1 | CC(Oc1ccccc1-c1ccccc1)C1=NCCN1 | 10.1021/jm100977d | ||
| CHEMBL128168 | 18856 | 1 | None | 1 | 3 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 266 | 4 | 1 | 3 | 3.1 | CC(Oc1ccccc1-c1ccccc1)C1=NCCN1 | 10.1021/jm100977d | ||
| 44352207 | 18856 | 1 | None | 1 | 3 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 266 | 4 | 1 | 3 | 3.1 | CC(Oc1ccccc1-c1ccccc1)C1=NCCN1 | 10.1021/jm0408215 | ||
| CHEMBL128168 | 18856 | 1 | None | 1 | 3 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 266 | 4 | 1 | 3 | 3.1 | CC(Oc1ccccc1-c1ccccc1)C1=NCCN1 | 10.1021/jm0408215 | ||
| 44352207 | 18856 | 1 | None | 1 | 3 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 266 | 4 | 1 | 3 | 3.1 | CC(Oc1ccccc1-c1ccccc1)C1=NCCN1 | 10.1021/jm800250z | ||
| CHEMBL128168 | 18856 | 1 | None | 1 | 3 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 266 | 4 | 1 | 3 | 3.1 | CC(Oc1ccccc1-c1ccccc1)C1=NCCN1 | 10.1021/jm800250z | ||
| 44352207 | 18856 | 1 | None | 1 | 3 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 266 | 4 | 1 | 3 | 3.1 | CC(Oc1ccccc1-c1ccccc1)C1=NCCN1 | 10.1021/jm061487a | ||
| CHEMBL128168 | 18856 | 1 | None | 1 | 3 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 266 | 4 | 1 | 3 | 3.1 | CC(Oc1ccccc1-c1ccccc1)C1=NCCN1 | 10.1021/jm061487a | ||
| 11360447 | 85001 | 0 | None | -1 | 3 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 272 | 4 | 1 | 4 | 3.2 | CC(Oc1ccccc1-c1cccs1)C1=NCCN1 | 10.1021/jm0408215 | ||
| CHEMBL223829 | 85001 | 0 | None | -1 | 3 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 272 | 4 | 1 | 4 | 3.2 | CC(Oc1ccccc1-c1cccs1)C1=NCCN1 | 10.1021/jm0408215 | ||
| 49836305 | 18576 | 0 | None | 9 | 3 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 272 | 4 | 1 | 4 | 3.2 | C[C@H](Oc1ccccc1-c1ccsc1)C1=NCCN1 | 10.1021/jm100977d | ||
| CHEMBL1276248 | 18576 | 0 | None | 9 | 3 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 272 | 4 | 1 | 4 | 3.2 | C[C@H](Oc1ccccc1-c1ccsc1)C1=NCCN1 | 10.1021/jm100977d | ||
| 10176999 | 103554 | 21 | None | 1 | 3 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 231 | 2 | 2 | 4 | 2.2 | Cc1c(Nc2ncc[nH]2)ccc2c1OCCO2 | 10.1021/jm9605142 | ||
| CHEMBL308570 | 103554 | 21 | None | 1 | 3 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 231 | 2 | 2 | 4 | 2.2 | Cc1c(Nc2ncc[nH]2)ccc2c1OCCO2 | 10.1021/jm9605142 | ||
| 11211035 | 85003 | 0 | None | 1 | 2 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 284 | 4 | 1 | 3 | 3.3 | CC(Oc1ccccc1-c1cccc(F)c1)C1=NCCN1 | 10.1021/jm0408215 | ||
| CHEMBL223836 | 85003 | 0 | None | 1 | 2 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 284 | 4 | 1 | 3 | 3.3 | CC(Oc1ccccc1-c1cccc(F)c1)C1=NCCN1 | 10.1021/jm0408215 | ||
| 11211035 | 85003 | 0 | None | 1 | 2 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 284 | 4 | 1 | 3 | 3.3 | CC(Oc1ccccc1-c1cccc(F)c1)C1=NCCN1 | 10.1021/jm061487a | ||
| CHEMBL223836 | 85003 | 0 | None | 1 | 2 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 284 | 4 | 1 | 3 | 3.3 | CC(Oc1ccccc1-c1cccc(F)c1)C1=NCCN1 | 10.1021/jm061487a | ||
| 9971924 | 184226 | 0 | None | -1 | 2 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 298 | 5 | 1 | 3 | 3.4 | c1ccc(CCC[C@H]2C3CCC(C3)[C@H]2NC2=NCCO2)cc1 | 10.1021/jm9905256 | ||
| CHEMBL48341 | 184226 | 0 | None | -1 | 2 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 298 | 5 | 1 | 3 | 3.4 | c1ccc(CCC[C@H]2C3CCC(C3)[C@H]2NC2=NCCO2)cc1 | 10.1021/jm9905256 | ||
| 45487089 | 197640 | 0 | None | 79 | 2 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 204 | 2 | 1 | 3 | 2.0 | Cc1ccccc1C(C)OC1=NCCN1 | 10.1021/jm901262f | ||
| CHEMBL570863 | 197640 | 0 | None | 79 | 2 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 204 | 2 | 1 | 3 | 2.0 | Cc1ccccc1C(C)OC1=NCCN1 | 10.1021/jm901262f | ||
| 57393922 | 71186 | 0 | None | 5 | 2 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 232 | 5 | 1 | 4 | 2.0 | C=COc1ccccc1OC(C)C1=NCCN1 | 10.1016/j.bmc.2012.01.035 | ||
| CHEMBL1956198 | 71186 | 0 | None | 5 | 2 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 232 | 5 | 1 | 4 | 2.0 | C=COc1ccccc1OC(C)C1=NCCN1 | 10.1016/j.bmc.2012.01.035 | ||
| 10923927 | 204178 | 0 | None | - | 1 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 279 | 3 | 2 | 5 | 0.8 | O=S1(=O)CCCc2cccc(NCC3=NCCN3)c21 | 10.1021/jm000542r | ||
| CHEMBL70740 | 204178 | 0 | None | - | 1 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 279 | 3 | 2 | 5 | 0.8 | O=S1(=O)CCCc2cccc(NCC3=NCCN3)c21 | 10.1021/jm000542r | ||
| 770500 | 121716 | 3 | None | - | 1 | Human | 3.2 | pEC50 | = | 3.2 | Functional | ChEMBL | 242 | 4 | 2 | 3 | 2.4 | NCC(=O)Nc1ccccc1Oc1ccccc1 | 10.1016/j.bmc.2015.01.013 | ||
| CHEMBL3588909 | 121716 | 3 | None | - | 1 | Human | 3.2 | pEC50 | = | 3.2 | Functional | ChEMBL | 242 | 4 | 2 | 3 | 2.4 | NCC(=O)Nc1ccccc1Oc1ccccc1 | 10.1016/j.bmc.2015.01.013 | ||
| 11034737 | 204528 | 0 | None | -1 | 4 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 289 | 4 | 2 | 4 | 2.8 | CSc1ccc(C(F)(F)F)cc1NCC1=NCCN1 | 10.1021/jm000542r | ||
| CHEMBL72724 | 204528 | 0 | None | -1 | 4 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 289 | 4 | 2 | 4 | 2.8 | CSc1ccc(C(F)(F)F)cc1NCC1=NCCN1 | 10.1021/jm000542r | ||
| 16757182 | 153251 | 0 | None | - | 1 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 311 | 5 | 1 | 5 | 3.0 | C[C@H](Oc1ccccc1-c1cccc([N+](=O)[O-])c1)C1=NCCN1 | 10.1021/jm100977d | ||
| CHEMBL397753 | 153251 | 0 | None | - | 1 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 311 | 5 | 1 | 5 | 3.0 | C[C@H](Oc1ccccc1-c1cccc([N+](=O)[O-])c1)C1=NCCN1 | 10.1021/jm100977d | ||
| 16757182 | 153251 | 0 | None | - | 1 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 311 | 5 | 1 | 5 | 3.0 | C[C@H](Oc1ccccc1-c1cccc([N+](=O)[O-])c1)C1=NCCN1 | 10.1021/jm061487a | ||
| CHEMBL397753 | 153251 | 0 | None | - | 1 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 311 | 5 | 1 | 5 | 3.0 | C[C@H](Oc1ccccc1-c1cccc([N+](=O)[O-])c1)C1=NCCN1 | 10.1021/jm061487a | ||
| 294234 | 102893 | 3 | None | -2 | 3 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 182 | 1 | 1 | 3 | 1.7 | C1CCCC(NC2=NCCO2)CC1 | 10.1016/0960-894X(94)85032-1 | ||
| CHEMBL305928 | 102893 | 3 | None | -2 | 3 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 182 | 1 | 1 | 3 | 1.7 | C1CCCC(NC2=NCCO2)CC1 | 10.1016/0960-894X(94)85032-1 | ||
| 24906200 | 193156 | 0 | None | 1 | 2 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 328 | 5 | 1 | 3 | 4.5 | c1ccc(-c2ccccc2OC(C2=NCCN2)c2ccccc2)cc1 | 10.1021/jm800250z | ||
| CHEMBL523048 | 193156 | 0 | None | 1 | 2 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 328 | 5 | 1 | 3 | 4.5 | c1ccc(-c2ccccc2OC(C2=NCCN2)c2ccccc2)cc1 | 10.1021/jm800250z | ||
| 57395732 | 71191 | 0 | None | 2 | 2 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 342 | 5 | 1 | 3 | 4.8 | CC(Oc1c(-c2ccccc2)cccc1-c1ccccc1)C1=NCCN1 | 10.1016/j.bmc.2012.01.035 | ||
| CHEMBL1956203 | 71191 | 0 | None | 2 | 2 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 342 | 5 | 1 | 3 | 4.8 | CC(Oc1c(-c2ccccc2)cccc1-c1ccccc1)C1=NCCN1 | 10.1016/j.bmc.2012.01.035 | ||
| 1960 | 2857 | 67 | None | -11 | 18 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 10.1021/jm901262f | ||
| 439260 | 2857 | 67 | None | -11 | 18 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 10.1021/jm901262f | ||
| 505 | 2857 | 67 | None | -11 | 18 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 10.1021/jm901262f | ||
| CHEMBL1437 | 2857 | 67 | None | -11 | 18 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 10.1021/jm901262f | ||
| DB00368 | 2857 | 67 | None | -11 | 18 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 10.1021/jm901262f | ||
| 1960 | 2857 | 67 | None | -11 | 18 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 10.1021/jm0408215 | ||
| 439260 | 2857 | 67 | None | -11 | 18 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 10.1021/jm0408215 | ||
| 505 | 2857 | 67 | None | -11 | 18 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 10.1021/jm0408215 | ||
| CHEMBL1437 | 2857 | 67 | None | -11 | 18 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 10.1021/jm0408215 | ||
| DB00368 | 2857 | 67 | None | -11 | 18 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 10.1021/jm0408215 | ||
| 57395663 | 71181 | 0 | None | -3 | 2 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 258 | 3 | 1 | 3 | 2.5 | CC(Oc1ccccc1C(F)(F)F)C1=NCCN1 | 10.1016/j.bmc.2012.01.035 | ||
| CHEMBL1956193 | 71181 | 0 | None | -3 | 2 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 258 | 3 | 1 | 3 | 2.5 | CC(Oc1ccccc1C(F)(F)F)C1=NCCN1 | 10.1016/j.bmc.2012.01.035 | ||
| 1960 | 2857 | 67 | None | -11 | 18 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 10.1021/jm800250z | ||
| 439260 | 2857 | 67 | None | -11 | 18 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 10.1021/jm800250z | ||
| 505 | 2857 | 67 | None | -11 | 18 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 10.1021/jm800250z | ||
| CHEMBL1437 | 2857 | 67 | None | -11 | 18 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 10.1021/jm800250z | ||
| DB00368 | 2857 | 67 | None | -11 | 18 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 10.1021/jm800250z | ||
| 24906201 | 187353 | 0 | None | 15 | 2 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 280 | 2 | 1 | 4 | 2.5 | c1ccc(-c2cccc3c2OCC(C2=NCCN2)O3)cc1 | 10.1021/jm800250z | ||
| CHEMBL493272 | 187353 | 0 | None | 15 | 2 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 280 | 2 | 1 | 4 | 2.5 | c1ccc(-c2cccc3c2OCC(C2=NCCN2)O3)cc1 | 10.1021/jm800250z | ||
| 9947861 | 204162 | 0 | None | -281 | 3 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 287 | 4 | 2 | 5 | 1.2 | CS(=O)(=O)c1ccc(Cl)cc1NCC1=NCCN1 | 10.1021/jm000542r | ||
| CHEMBL70634 | 204162 | 0 | None | -281 | 3 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 287 | 4 | 2 | 5 | 1.2 | CS(=O)(=O)c1ccc(Cl)cc1NCC1=NCCN1 | 10.1021/jm000542r | ||
| 1960 | 2857 | 67 | None | -11 | 18 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 10.1021/jm061487a | ||
| 439260 | 2857 | 67 | None | -11 | 18 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 10.1021/jm061487a | ||
| 505 | 2857 | 67 | None | -11 | 18 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 10.1021/jm061487a | ||
| CHEMBL1437 | 2857 | 67 | None | -11 | 18 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 10.1021/jm061487a | ||
| DB00368 | 2857 | 67 | None | -11 | 18 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 10.1021/jm061487a | ||
| 2435 | 722 | 100 | None | -7 | 10 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | nan | ||
| 395 | 722 | 100 | None | -7 | 10 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | nan | ||
| 520 | 722 | 100 | None | -7 | 10 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | nan | ||
| 5386 | 722 | 100 | None | -7 | 10 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | nan | ||
| CHEMBL844 | 722 | 100 | None | -7 | 10 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | nan | ||
| DB00484 | 722 | 100 | None | -7 | 10 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | nan | ||
| 10934575 | 204486 | 0 | None | -81 | 5 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 235 | 4 | 2 | 4 | 2.1 | CSc1ccc(C)cc1NCC1=NCCN1 | 10.1021/jm000542r | ||
| CHEMBL72441 | 204486 | 0 | None | -81 | 5 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 235 | 4 | 2 | 4 | 2.1 | CSc1ccc(C)cc1NCC1=NCCN1 | 10.1021/jm000542r | ||
| 11173544 | 166261 | 0 | None | - | 1 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 280 | 4 | 1 | 3 | 3.4 | Cc1ccc(-c2ccccc2OC(C)C2=NCCN2)cc1 | 10.1021/jm0408215 | ||
| CHEMBL426900 | 166261 | 0 | None | - | 1 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 280 | 4 | 1 | 3 | 3.4 | Cc1ccc(-c2ccccc2OC(C)C2=NCCN2)cc1 | 10.1021/jm0408215 | ||
| 15675860 | 204429 | 0 | None | 1 | 2 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 305 | 1 | 2 | 5 | 2.1 | Cc1cnc2c(Br)c(NC3=NCCN3)ccc2n1 | 10.1016/0960-894X(95)00391-6 | ||
| CHEMBL72147 | 204429 | 0 | None | 1 | 2 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 305 | 1 | 2 | 5 | 2.1 | Cc1cnc2c(Br)c(NC3=NCCN3)ccc2n1 | 10.1016/0960-894X(95)00391-6 | ||
| 44312036 | 204565 | 1 | None | 19 | 2 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 305 | 1 | 2 | 5 | 2.2 | CC1CN=C(Nc2ccc3nccnc3c2Br)N1 | 10.1016/0960-894X(95)00391-6 | ||
| CHEMBL72995 | 204565 | 1 | None | 19 | 2 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 305 | 1 | 2 | 5 | 2.2 | CC1CN=C(Nc2ccc3nccnc3c2Br)N1 | 10.1016/0960-894X(95)00391-6 | ||
| 2435 | 722 | 100 | None | -7 | 10 | Human | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | 10.1016/0960-894X(95)00391-6 | ||
| 395 | 722 | 100 | None | -7 | 10 | Human | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | 10.1016/0960-894X(95)00391-6 | ||
| 520 | 722 | 100 | None | -7 | 10 | Human | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | 10.1016/0960-894X(95)00391-6 | ||
| 5386 | 722 | 100 | None | -7 | 10 | Human | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | 10.1016/0960-894X(95)00391-6 | ||
| CHEMBL844 | 722 | 100 | None | -7 | 10 | Human | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | 10.1016/0960-894X(95)00391-6 | ||
| DB00484 | 722 | 100 | None | -7 | 10 | Human | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | 10.1016/0960-894X(95)00391-6 | ||
| 11371902 | 141638 | 0 | None | -1 | 2 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 272 | 4 | 1 | 4 | 3.2 | CC(Oc1ccccc1-c1ccsc1)C1=NCCN1 | 10.1021/jm100977d | ||
| CHEMBL385310 | 141638 | 0 | None | -1 | 2 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 272 | 4 | 1 | 4 | 3.2 | CC(Oc1ccccc1-c1ccsc1)C1=NCCN1 | 10.1021/jm100977d | ||
| 11140033 | 20683 | 0 | None | 4 | 3 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 265 | 4 | 2 | 3 | 3.2 | CC(Nc1ccccc1-c1ccccc1)C1=NCCN1 | 10.1021/jm0408215 | ||
| CHEMBL130884 | 20683 | 0 | None | 4 | 3 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 265 | 4 | 2 | 3 | 3.2 | CC(Nc1ccccc1-c1ccccc1)C1=NCCN1 | 10.1021/jm0408215 | ||
| 11371902 | 141638 | 0 | None | -1 | 2 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 272 | 4 | 1 | 4 | 3.2 | CC(Oc1ccccc1-c1ccsc1)C1=NCCN1 | 10.1021/jm0408215 | ||
| CHEMBL385310 | 141638 | 0 | None | -1 | 2 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 272 | 4 | 1 | 4 | 3.2 | CC(Oc1ccccc1-c1ccsc1)C1=NCCN1 | 10.1021/jm0408215 | ||
| 57402717 | 71187 | 2 | None | 10 | 2 | Human | 5.0 | pEC50 | = | 5.0 | Functional | ChEMBL | 220 | 4 | 1 | 4 | 1.5 | COc1ccccc1OC(C)C1=NCCN1 | 10.1016/j.bmc.2012.01.035 | ||
| CHEMBL1956199 | 71187 | 2 | None | 10 | 2 | Human | 5.0 | pEC50 | = | 5.0 | Functional | ChEMBL | 220 | 4 | 1 | 4 | 1.5 | COc1ccccc1OC(C)C1=NCCN1 | 10.1016/j.bmc.2012.01.035 | ||
| 156735109 | 186605 | 0 | None | - | 1 | Human | 10.1 | pIC50 | = | 10.1 | Functional | ChEMBL | 505 | 8 | 1 | 7 | 4.0 | O=C(NCc1ncc(F)cc1F)c1cnc(N2CCC(N3CCCC(COC4CCC4)C3)CC2)s1 | 10.1021/acsmedchemlett.1c00423 | ||
| CHEMBL4878875 | 186605 | 0 | None | - | 1 | Human | 10.1 | pIC50 | = | 10.1 | Functional | ChEMBL | 505 | 8 | 1 | 7 | 4.0 | O=C(NCc1ncc(F)cc1F)c1cnc(N2CCC(N3CCCC(COC4CCC4)C3)CC2)s1 | 10.1021/acsmedchemlett.1c00423 | ||
| 156735161 | 186368 | 0 | None | - | 1 | Human | 9.6 | pIC50 | = | 9.6 | Functional | ChEMBL | 465 | 5 | 1 | 6 | 3.5 | O=C(NCc1ncc(F)cc1F)c1cnc(N2CCC(N3CCCC4(CC4)C3)C(F)C2)s1 | 10.1021/acsmedchemlett.1c00423 | ||
| CHEMBL4875484 | 186368 | 0 | None | - | 1 | Human | 9.6 | pIC50 | = | 9.6 | Functional | ChEMBL | 465 | 5 | 1 | 6 | 3.5 | O=C(NCc1ncc(F)cc1F)c1cnc(N2CCC(N3CCCC4(CC4)C3)C(F)C2)s1 | 10.1021/acsmedchemlett.1c00423 | ||
| 164617361 | 184835 | 0 | None | - | 1 | Human | 9.5 | pIC50 | = | 9.5 | Functional | ChEMBL | 499 | 6 | 1 | 7 | 3.8 | COc1cccc2c1CN(C1CCN(c3ncc(C(=O)NCc4ncc(F)cc4F)s3)CC1)CC2 | 10.1021/acsmedchemlett.1c00423 | ||
| CHEMBL4852159 | 184835 | 0 | None | - | 1 | Human | 9.5 | pIC50 | = | 9.5 | Functional | ChEMBL | 499 | 6 | 1 | 7 | 3.8 | COc1cccc2c1CN(C1CCN(c3ncc(C(=O)NCc4ncc(F)cc4F)s3)CC1)CC2 | 10.1021/acsmedchemlett.1c00423 | ||
| 156735115 | 186425 | 0 | None | - | 1 | Human | 9.4 | pIC50 | = | 9.4 | Functional | ChEMBL | 527 | 8 | 1 | 7 | 3.9 | O=C(NCc1ncc(F)cc1F)c1cnc(N2CCC(N3CCCC(OCC4CC4(F)F)C3)CC2)s1 | 10.1021/acsmedchemlett.1c00423 | ||
| CHEMBL4876214 | 186425 | 0 | None | - | 1 | Human | 9.4 | pIC50 | = | 9.4 | Functional | ChEMBL | 527 | 8 | 1 | 7 | 3.9 | O=C(NCc1ncc(F)cc1F)c1cnc(N2CCC(N3CCCC(OCC4CC4(F)F)C3)CC2)s1 | 10.1021/acsmedchemlett.1c00423 | ||
| 156735204 | 185910 | 0 | None | - | 1 | Human | 9.4 | pIC50 | = | 9.4 | Functional | ChEMBL | 483 | 5 | 1 | 6 | 4.1 | Cc1ccc2c(c1)CN(C1CCN(c3ncc(C(=O)NCc4ncc(F)cc4F)s3)CC1)CC2 | 10.1021/acsmedchemlett.1c00423 | ||
| CHEMBL4868807 | 185910 | 0 | None | - | 1 | Human | 9.4 | pIC50 | = | 9.4 | Functional | ChEMBL | 483 | 5 | 1 | 6 | 4.1 | Cc1ccc2c(c1)CN(C1CCN(c3ncc(C(=O)NCc4ncc(F)cc4F)s3)CC1)CC2 | 10.1021/acsmedchemlett.1c00423 | ||
| 156735188 | 185758 | 0 | None | - | 1 | Human | 9.3 | pIC50 | = | 9.3 | Functional | ChEMBL | 505 | 8 | 1 | 7 | 4.0 | O=C(NCc1ncc(F)cc1F)c1cnc(N2CCC(N3CCCC(OCC4CCC4)C3)CC2)s1 | 10.1021/acsmedchemlett.1c00423 | ||
| CHEMBL4866383 | 185758 | 0 | None | - | 1 | Human | 9.3 | pIC50 | = | 9.3 | Functional | ChEMBL | 505 | 8 | 1 | 7 | 4.0 | O=C(NCc1ncc(F)cc1F)c1cnc(N2CCC(N3CCCC(OCC4CCC4)C3)CC2)s1 | 10.1021/acsmedchemlett.1c00423 | ||
| 136 | 3292 | 32 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@@H]1[C@@H](O)CC[C@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | 10.1021/jm401895u | ||
| 223 | 3292 | 32 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@@H]1[C@@H](O)CC[C@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | 10.1021/jm401895u | ||
| 643606 | 3292 | 32 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@@H]1[C@@H](O)CC[C@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | 10.1021/jm401895u | ||
| CHEMBL10347 | 3292 | 32 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@@H]1[C@@H](O)CC[C@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | 10.1021/jm401895u | ||
| 11306100 | 168507 | 0 | None | - | 0 | Human | 10.5 | pKi | = | 10.5 | Functional | ChEMBL | 477 | 9 | 0 | 7 | 3.5 | COCCOc1ccc2c(c1)OC[C@@H]1C2=NO[C@H]1CN1CCN(C/C(C)=C/c2ccccc2)CC1 | 10.1021/jm049619s | ||
| CHEMBL435352 | 168507 | 0 | None | - | 0 | Human | 10.5 | pKi | = | 10.5 | Functional | ChEMBL | 477 | 9 | 0 | 7 | 3.5 | COCCOc1ccc2c(c1)OC[C@@H]1C2=NO[C@H]1CN1CCN(C/C(C)=C/c2ccccc2)CC1 | 10.1021/jm049619s | ||
| 11271808 | 60994 | 0 | None | - | 0 | Human | 10.0 | pKi | = | 10 | Functional | ChEMBL | 490 | 9 | 0 | 7 | 3.5 | C/C(=C\c1ccccc1)CN1CCN(C[C@@H]2ON=C3c4ccc(OCCN(C)C)cc4OC[C@H]32)CC1 | 10.1021/jm049619s | ||
| CHEMBL176261 | 60994 | 0 | None | - | 0 | Human | 10.0 | pKi | = | 10 | Functional | ChEMBL | 490 | 9 | 0 | 7 | 3.5 | C/C(=C\c1ccccc1)CN1CCN(C[C@@H]2ON=C3c4ccc(OCCN(C)C)cc4OC[C@H]32)CC1 | 10.1021/jm049619s | ||
| 135519400 | 63894 | 0 | None | - | 0 | Human | 10.0 | pKi | = | 10 | Functional | ChEMBL | 419 | 5 | 1 | 6 | 3.2 | C/C(=C\c1ccccc1)CN1CCN(C[C@@H]2ON=C3c4ccc(O)cc4OC[C@H]32)CC1 | 10.1021/jm049619s | ||
| CHEMBL180470 | 63894 | 0 | None | - | 0 | Human | 10.0 | pKi | = | 10 | Functional | ChEMBL | 419 | 5 | 1 | 6 | 3.2 | C/C(=C\c1ccccc1)CN1CCN(C[C@@H]2ON=C3c4ccc(O)cc4OC[C@H]32)CC1 | 10.1021/jm049619s | ||
| 135440165 | 78945 | 0 | None | - | 0 | Human | 10.0 | pKi | = | 10 | Functional | ChEMBL | 462 | 7 | 1 | 7 | 3.6 | COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C(C)=C/c4ccccc4)CC3)[C@@H]1CN2 | 10.1021/jm049619s | ||
| CHEMBL2112985 | 78945 | 0 | None | - | 0 | Human | 10.0 | pKi | = | 10 | Functional | ChEMBL | 462 | 7 | 1 | 7 | 3.6 | COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C(C)=C/c4ccccc4)CC3)[C@@H]1CN2 | 10.1021/jm049619s | ||
| 11214030 | 60544 | 0 | None | - | 0 | Human | 9.7 | pKi | = | 9.7 | Functional | ChEMBL | 491 | 8 | 0 | 8 | 3.1 | COCC(=O)Oc1ccc2c(c1)OC[C@@H]1C2=NO[C@H]1CN1CCN(C/C(C)=C/c2ccccc2)CC1 | 10.1021/jm049619s | ||
| CHEMBL175853 | 60544 | 0 | None | - | 0 | Human | 9.7 | pKi | = | 9.7 | Functional | ChEMBL | 491 | 8 | 0 | 8 | 3.1 | COCC(=O)Oc1ccc2c(c1)OC[C@@H]1C2=NO[C@H]1CN1CCN(C/C(C)=C/c2ccccc2)CC1 | 10.1021/jm049619s | ||
| 44387789 | 60575 | 0 | None | - | 0 | Human | 9.7 | pKi | = | 9.7 | Functional | ChEMBL | 433 | 6 | 0 | 6 | 3.5 | COc1ccc2c(c1)OC[C@@H]1C2=NO[C@H]1CN1CCN(C/C(C)=C/c2ccccc2)CC1 | 10.1021/jm049619s | ||
| CHEMBL176002 | 60575 | 0 | None | - | 0 | Human | 9.7 | pKi | = | 9.7 | Functional | ChEMBL | 433 | 6 | 0 | 6 | 3.5 | COc1ccc2c(c1)OC[C@@H]1C2=NO[C@H]1CN1CCN(C/C(C)=C/c2ccccc2)CC1 | 10.1021/jm049619s | ||
| 11259744 | 60796 | 0 | None | - | 0 | Human | 9.7 | pKi | = | 9.7 | Functional | ChEMBL | 461 | 6 | 0 | 7 | 3.4 | CC(=O)Oc1ccc2c(c1)OC[C@@H]1C2=NO[C@H]1CN1CCN(C/C(C)=C/c2ccccc2)CC1 | 10.1021/jm049619s | ||
| CHEMBL176116 | 60796 | 0 | None | - | 0 | Human | 9.7 | pKi | = | 9.7 | Functional | ChEMBL | 461 | 6 | 0 | 7 | 3.4 | CC(=O)Oc1ccc2c(c1)OC[C@@H]1C2=NO[C@H]1CN1CCN(C/C(C)=C/c2ccccc2)CC1 | 10.1021/jm049619s | ||
| 11785961 | 63280 | 0 | None | - | 0 | Human | 9.7 | pKi | = | 9.7 | Functional | ChEMBL | 535 | 13 | 0 | 8 | 4.0 | CCOCCOCCOc1ccc2c(c1)OC[C@@H]1C2=NO[C@H]1CN1CCN(C/C(C)=C/c2ccccc2)CC1 | 10.1021/jm049619s | ||
| CHEMBL179237 | 63280 | 0 | None | - | 0 | Human | 9.7 | pKi | = | 9.7 | Functional | ChEMBL | 535 | 13 | 0 | 8 | 4.0 | CCOCCOCCOc1ccc2c(c1)OC[C@@H]1C2=NO[C@H]1CN1CCN(C/C(C)=C/c2ccccc2)CC1 | 10.1021/jm049619s | ||
| 44324800 | 206948 | 0 | None | - | 0 | Human | 9.7 | pKi | = | 9.7 | Functional | ChEMBL | 463 | 7 | 0 | 7 | 3.5 | COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C(C)=C/c4ccccc4)CC3)[C@@H]1CO2 | 10.1021/jm049619s | ||
| CHEMBL91157 | 206948 | 0 | None | - | 0 | Human | 9.7 | pKi | = | 9.7 | Functional | ChEMBL | 463 | 7 | 0 | 7 | 3.5 | COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C(C)=C/c4ccccc4)CC3)[C@@H]1CO2 | 10.1021/jm049619s | ||
| 11785068 | 60556 | 0 | None | - | 0 | Human | 9.5 | pKi | = | 9.5 | Functional | ChEMBL | 487 | 7 | 0 | 7 | 3.8 | C/C(=C\c1ccccc1)CN1CCN(C[C@@H]2ON=C3c4ccc(OC(=O)C5CC5)cc4OC[C@H]32)CC1 | 10.1021/jm049619s | ||
| CHEMBL175911 | 60556 | 0 | None | - | 0 | Human | 9.5 | pKi | = | 9.5 | Functional | ChEMBL | 487 | 7 | 0 | 7 | 3.8 | C/C(=C\c1ccccc1)CN1CCN(C[C@@H]2ON=C3c4ccc(OC(=O)C5CC5)cc4OC[C@H]32)CC1 | 10.1021/jm049619s | ||
| 11260018 | 63859 | 0 | None | - | 0 | Human | 9.3 | pKi | = | 9.3 | Functional | ChEMBL | 473 | 7 | 0 | 7 | 3.6 | C=CC(=O)Oc1ccc2c(c1)OC[C@@H]1C2=NO[C@H]1CN1CCN(C/C(C)=C/c2ccccc2)CC1 | 10.1021/jm049619s | ||
| CHEMBL180322 | 63859 | 0 | None | - | 0 | Human | 9.3 | pKi | = | 9.3 | Functional | ChEMBL | 473 | 7 | 0 | 7 | 3.6 | C=CC(=O)Oc1ccc2c(c1)OC[C@@H]1C2=NO[C@H]1CN1CCN(C/C(C)=C/c2ccccc2)CC1 | 10.1021/jm049619s | ||
| 11190988 | 131803 | 0 | None | - | 0 | Human | 9.3 | pKi | = | 9.3 | Functional | ChEMBL | 487 | 7 | 0 | 6 | 4.8 | C/C(=C\c1ccccc1)CN1CCN(C[C@@H]2ON=C3c4ccc(OC5CCCC5)cc4OC[C@H]32)CC1 | 10.1021/jm049619s | ||
| CHEMBL369378 | 131803 | 0 | None | - | 0 | Human | 9.3 | pKi | = | 9.3 | Functional | ChEMBL | 487 | 7 | 0 | 6 | 4.8 | C/C(=C\c1ccccc1)CN1CCN(C[C@@H]2ON=C3c4ccc(OC5CCCC5)cc4OC[C@H]32)CC1 | 10.1021/jm049619s | ||
| 11318438 | 165984 | 0 | None | - | 0 | Human | 9.3 | pKi | = | 9.3 | Functional | ChEMBL | 524 | 7 | 0 | 8 | 4.1 | C/C(=C\c1ccccc1)CN1CCN(C[C@@H]2ON=C3c4ccc(OC(=O)c5ccncc5)cc4OC[C@H]32)CC1 | 10.1021/jm049619s | ||
| CHEMBL425324 | 165984 | 0 | None | - | 0 | Human | 9.3 | pKi | = | 9.3 | Functional | ChEMBL | 524 | 7 | 0 | 8 | 4.1 | C/C(=C\c1ccccc1)CN1CCN(C[C@@H]2ON=C3c4ccc(OC(=O)c5ccncc5)cc4OC[C@H]32)CC1 | 10.1021/jm049619s | ||
| 44324972 | 163372 | 0 | None | - | 0 | Human | 9.2 | pKi | = | 9.2 | Functional | ChEMBL | 463 | 7 | 0 | 7 | 3.5 | COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C=C(\C)c4ccccc4)CC3)[C@@H]1CO2 | 10.1021/jm049619s | ||
| CHEMBL419316 | 163372 | 0 | None | - | 0 | Human | 9.2 | pKi | = | 9.2 | Functional | ChEMBL | 463 | 7 | 0 | 7 | 3.5 | COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C=C(\C)c4ccccc4)CC3)[C@@H]1CO2 | 10.1021/jm049619s | ||
| 11191321 | 62985 | 0 | None | - | 0 | Human | 8.8 | pKi | = | 8.8 | Functional | ChEMBL | 503 | 6 | 0 | 7 | 4.5 | C/C(=C\c1ccccc1)CN1CCN(C[C@@H]2ON=C3c4ccc(OC(=O)C(C)(C)C)cc4OC[C@H]32)CC1 | 10.1021/jm049619s | ||
| CHEMBL178588 | 62985 | 0 | None | - | 0 | Human | 8.8 | pKi | = | 8.8 | Functional | ChEMBL | 503 | 6 | 0 | 7 | 4.5 | C/C(=C\c1ccccc1)CN1CCN(C[C@@H]2ON=C3c4ccc(OC(=O)C(C)(C)C)cc4OC[C@H]32)CC1 | 10.1021/jm049619s | ||
| 135405894 | 78930 | 0 | None | - | 0 | Human | 8.8 | pKi | = | 8.8 | Functional | ChEMBL | 470 | 8 | 1 | 8 | 2.7 | COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(CCOc4ccc(F)cc4)CC3)[C@@H]1CN2 | 10.1021/jm049619s | ||
| CHEMBL2112969 | 78930 | 0 | None | - | 0 | Human | 8.8 | pKi | = | 8.8 | Functional | ChEMBL | 470 | 8 | 1 | 8 | 2.7 | COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(CCOc4ccc(F)cc4)CC3)[C@@H]1CN2 | 10.1021/jm049619s | ||
| 44579272 | 187095 | 0 | None | - | 0 | Human | 8.8 | pKi | = | 8.8 | Functional | ChEMBL | 499 | 7 | 0 | 9 | 4.3 | c1ccc(Oc2ncccc2-c2noc(CN3CCCN(CC4COc5ccccc5O4)CC3)n2)cc1 | 10.1016/j.bmcl.2008.08.055 | ||
| CHEMBL491420 | 187095 | 0 | None | - | 0 | Human | 8.8 | pKi | = | 8.8 | Functional | ChEMBL | 499 | 7 | 0 | 9 | 4.3 | c1ccc(Oc2ncccc2-c2noc(CN3CCCN(CC4COc5ccccc5O4)CC3)n2)cc1 | 10.1016/j.bmcl.2008.08.055 | ||
| 71450907 | 78939 | 0 | None | - | 0 | Human | 8.8 | pKi | = | 8.8 | Functional | ChEMBL | 389 | 5 | 0 | 5 | 3.1 | C(=C/c1ccccc1)\CN1CCN(C[C@@H]2ON=C3c4ccccc4OC[C@H]32)CC1 | 10.1021/jm049619s | ||
| CHEMBL2112978 | 78939 | 0 | None | - | 0 | Human | 8.8 | pKi | = | 8.8 | Functional | ChEMBL | 389 | 5 | 0 | 5 | 3.1 | C(=C/c1ccccc1)\CN1CCN(C[C@@H]2ON=C3c4ccccc4OC[C@H]32)CC1 | 10.1021/jm049619s | ||
| 44579187 | 189679 | 0 | None | - | 0 | Human | 8.7 | pKi | = | 8.7 | Functional | ChEMBL | 513 | 8 | 1 | 8 | 3.3 | N#Cc1cccc(Oc2ncccc2C(=O)NCCN2CCCN(CC3COc4ccccc4O3)CC2)c1 | 10.1016/j.bmcl.2008.08.055 | ||
| CHEMBL515331 | 189679 | 0 | None | - | 0 | Human | 8.7 | pKi | = | 8.7 | Functional | ChEMBL | 513 | 8 | 1 | 8 | 3.3 | N#Cc1cccc(Oc2ncccc2C(=O)NCCN2CCCN(CC3COc4ccccc4O3)CC2)c1 | 10.1016/j.bmcl.2008.08.055 | ||
| 25110718 | 193309 | 0 | None | - | 0 | Human | 8.7 | pKi | = | 8.7 | Functional | ChEMBL | 488 | 8 | 1 | 7 | 3.5 | O=C(NCCN1CCCN(C[C@H]2COc3ccccc3O2)CC1)c1cccnc1Oc1ccccc1 | 10.1016/j.bmcl.2008.08.055 | ||
| CHEMBL524153 | 193309 | 0 | None | - | 0 | Human | 8.7 | pKi | = | 8.7 | Functional | ChEMBL | 488 | 8 | 1 | 7 | 3.5 | O=C(NCCN1CCCN(C[C@H]2COc3ccccc3O2)CC1)c1cccnc1Oc1ccccc1 | 10.1016/j.bmcl.2008.08.055 | ||
| 44387798 | 166273 | 0 | None | - | 0 | Human | 8.0 | pKi | = | 8.0 | Functional | ChEMBL | 458 | 7 | 0 | 5 | 3.9 | CC(=O)N1C[C@@H]2C(=NO[C@H]2CN2CCN(CCC/C=C/c3ccccc3)CC2)c2ccccc21 | 10.1021/jm049619s | ||
| CHEMBL426959 | 166273 | 0 | None | - | 0 | Human | 8.0 | pKi | = | 8.0 | Functional | ChEMBL | 458 | 7 | 0 | 5 | 3.9 | CC(=O)N1C[C@@H]2C(=NO[C@H]2CN2CCN(CCC/C=C/c3ccccc3)CC2)c2ccccc21 | 10.1021/jm049619s | ||
| 71456239 | 78940 | 0 | None | - | 0 | Human | 7.0 | pKi | = | 7.0 | Functional | ChEMBL | 385 | 5 | 0 | 4 | 3.8 | C1=C[C@@H]2C(=NO[C@H]2CN2CCN(C/C=C/c3ccccc3)CC2)c2ccccc21 | 10.1021/jm049619s | ||
| CHEMBL2112979 | 78940 | 0 | None | - | 0 | Human | 7.0 | pKi | = | 7.0 | Functional | ChEMBL | 385 | 5 | 0 | 4 | 3.8 | C1=C[C@@H]2C(=NO[C@H]2CN2CCN(C/C=C/c3ccccc3)CC2)c2ccccc21 | 10.1021/jm049619s | ||
| 136044137 | 78937 | 0 | None | - | 0 | Human | 7.9 | pKi | = | 7.9 | Functional | ChEMBL | 472 | 6 | 1 | 7 | 3.8 | COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(Cc4ccc5ccccc5c4)CC3)[C@@H]1CN2 | 10.1021/jm049619s | ||
| CHEMBL2112976 | 78937 | 0 | None | - | 0 | Human | 7.9 | pKi | = | 7.9 | Functional | ChEMBL | 472 | 6 | 1 | 7 | 3.8 | COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(Cc4ccc5ccccc5c4)CC3)[C@@H]1CN2 | 10.1021/jm049619s | ||
| 135499867 | 78941 | 0 | None | - | 0 | Human | 7.8 | pKi | = | 7.8 | Functional | ChEMBL | 388 | 5 | 1 | 5 | 3.2 | C(=C/c1ccccc1)\CN1CCN(C[C@@H]2ON=C3c4ccccc4NC[C@H]32)CC1 | 10.1021/jm049619s | ||
| CHEMBL2112981 | 78941 | 0 | None | - | 0 | Human | 7.8 | pKi | = | 7.8 | Functional | ChEMBL | 388 | 5 | 1 | 5 | 3.2 | C(=C/c1ccccc1)\CN1CCN(C[C@@H]2ON=C3c4ccccc4NC[C@H]32)CC1 | 10.1021/jm049619s | ||
| 11224953 | 78934 | 0 | None | - | 0 | Human | 8.6 | pKi | = | 8.6 | Functional | ChEMBL | 459 | 6 | 1 | 5 | 3.3 | CCNC(=O)N1C[C@@H]2C(=NO[C@H]2CN2CCN(C/C=C/c3ccccc3)CC2)c2ccccc21 | 10.1021/jm049619s | ||
| CHEMBL2112973 | 78934 | 0 | None | - | 0 | Human | 8.6 | pKi | = | 8.6 | Functional | ChEMBL | 459 | 6 | 1 | 5 | 3.3 | CCNC(=O)N1C[C@@H]2C(=NO[C@H]2CN2CCN(C/C=C/c3ccccc3)CC2)c2ccccc21 | 10.1021/jm049619s | ||
| 10758200 | 63417 | 0 | None | - | 0 | Human | 7.7 | pKi | = | 7.7 | Functional | ChEMBL | 322 | 4 | 0 | 3 | 3.2 | c1ccc(CN2CCN(CC3CCc4ccccc4O3)CC2)cc1 | 10.1016/j.bmcl.2008.08.055 | ||
| CHEMBL179648 | 63417 | 0 | None | - | 0 | Human | 7.7 | pKi | = | 7.7 | Functional | ChEMBL | 322 | 4 | 0 | 3 | 3.2 | c1ccc(CN2CCN(CC3CCc4ccccc4O3)CC2)cc1 | 10.1016/j.bmcl.2008.08.055 | ||
| 44579184 | 190953 | 4 | None | - | 0 | Human | 7.6 | pKi | = | 7.6 | Functional | ChEMBL | 340 | 4 | 0 | 5 | 2.7 | COc1ccccc1N1CCN(CC2COc3ccccc3O2)CC1 | 10.1016/j.bmcl.2008.08.055 | ||
| CHEMBL518592 | 190953 | 4 | None | - | 0 | Human | 7.6 | pKi | = | 7.6 | Functional | ChEMBL | 340 | 4 | 0 | 5 | 2.7 | COc1ccccc1N1CCN(CC2COc3ccccc3O2)CC1 | 10.1016/j.bmcl.2008.08.055 | ||
| 135519421 | 78935 | 0 | None | - | 0 | Human | 7.6 | pKi | = | 7.6 | Functional | ChEMBL | 456 | 6 | 1 | 7 | 3.3 | COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(Cc4ccc(Cl)cc4)CC3)[C@@H]1CN2 | 10.1021/jm049619s | ||
| CHEMBL2112974 | 78935 | 0 | None | - | 0 | Human | 7.6 | pKi | = | 7.6 | Functional | ChEMBL | 456 | 6 | 1 | 7 | 3.3 | COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(Cc4ccc(Cl)cc4)CC3)[C@@H]1CN2 | 10.1021/jm049619s | ||
| 44579185 | 181814 | 1 | None | - | 0 | Human | 7.6 | pKi | = | 7.6 | Functional | ChEMBL | 488 | 8 | 1 | 7 | 3.5 | O=C(NCCN1CCCN(CC2COc3ccccc3O2)CC1)c1cccnc1Oc1ccccc1 | 10.1016/j.bmcl.2008.08.055 | ||
| CHEMBL477816 | 181814 | 1 | None | - | 0 | Human | 7.6 | pKi | = | 7.6 | Functional | ChEMBL | 488 | 8 | 1 | 7 | 3.5 | O=C(NCCN1CCCN(CC2COc3ccccc3O2)CC1)c1cccnc1Oc1ccccc1 | 10.1016/j.bmcl.2008.08.055 | ||
| 44324737 | 207238 | 0 | None | - | 0 | Human | 8.5 | pKi | = | 8.5 | Functional | ChEMBL | 473 | 6 | 0 | 7 | 3.8 | COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(Cc4ccc5ccccc5c4)CC3)[C@@H]1CO2 | 10.1021/jm049619s | ||
| CHEMBL92860 | 207238 | 0 | None | - | 0 | Human | 8.5 | pKi | = | 8.5 | Functional | ChEMBL | 473 | 6 | 0 | 7 | 3.8 | COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(Cc4ccc5ccccc5c4)CC3)[C@@H]1CO2 | 10.1021/jm049619s | ||
| 135477797 | 78932 | 0 | None | - | 0 | Human | 8.4 | pKi | = | 8.4 | Functional | ChEMBL | 462 | 7 | 1 | 7 | 3.6 | COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C=C(\C)c4ccccc4)CC3)[C@@H]1CN2 | 10.1021/jm049619s | ||
| CHEMBL2112971 | 78932 | 0 | None | - | 0 | Human | 8.4 | pKi | = | 8.4 | Functional | ChEMBL | 462 | 7 | 1 | 7 | 3.6 | COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C=C(\C)c4ccccc4)CC3)[C@@H]1CN2 | 10.1021/jm049619s | ||
| 44579230 | 181544 | 0 | None | - | 0 | Human | 8.4 | pKi | = | 8.4 | Functional | ChEMBL | 468 | 10 | 1 | 7 | 2.8 | CCCCOc1cccc(C(=O)NCCN2CCCN(CC3COc4ccccc4O3)CC2)n1 | 10.1016/j.bmcl.2008.08.055 | ||
| CHEMBL476569 | 181544 | 0 | None | - | 0 | Human | 8.4 | pKi | = | 8.4 | Functional | ChEMBL | 468 | 10 | 1 | 7 | 2.8 | CCCCOc1cccc(C(=O)NCCN2CCCN(CC3COc4ccccc4O3)CC2)n1 | 10.1016/j.bmcl.2008.08.055 | ||
| 71456240 | 78942 | 0 | None | - | 0 | Human | 8.4 | pKi | = | 8.4 | Functional | ChEMBL | 415 | 6 | 0 | 5 | 3.8 | COc1ccc2c(c1)C=C[C@@H]1C2=NO[C@H]1CN1CCN(C/C=C/c2ccccc2)CC1 | 10.1021/jm049619s | ||
| CHEMBL2112982 | 78942 | 0 | None | - | 0 | Human | 8.4 | pKi | = | 8.4 | Functional | ChEMBL | 415 | 6 | 0 | 5 | 3.8 | COc1ccc2c(c1)C=C[C@@H]1C2=NO[C@H]1CN1CCN(C/C=C/c2ccccc2)CC1 | 10.1021/jm049619s | ||
| 44579228 | 181654 | 0 | None | - | 0 | Human | 7.5 | pKi | = | 7.5 | Functional | ChEMBL | 467 | 7 | 2 | 7 | 2.9 | CC(C)(C)Nc1ncccc1C(=O)NCCN1CCCN(CC2COc3ccccc3O2)CC1 | 10.1016/j.bmcl.2008.08.055 | ||
| CHEMBL477608 | 181654 | 0 | None | - | 0 | Human | 7.5 | pKi | = | 7.5 | Functional | ChEMBL | 467 | 7 | 2 | 7 | 2.9 | CC(C)(C)Nc1ncccc1C(=O)NCCN1CCCN(CC2COc3ccccc3O2)CC1 | 10.1016/j.bmcl.2008.08.055 | ||
| 71456238 | 78938 | 0 | None | - | 0 | Human | 8.4 | pKi | = | 8.4 | Functional | ChEMBL | 504 | 9 | 0 | 7 | 4.4 | COc1cc2c(cc1OC)N(C)C[C@@H]1C2=NO[C@H]1CN1CCN(CCC/C(C)=C/c2ccccc2)CC1 | 10.1021/jm049619s | ||
| CHEMBL2112977 | 78938 | 0 | None | - | 0 | Human | 8.4 | pKi | = | 8.4 | Functional | ChEMBL | 504 | 9 | 0 | 7 | 4.4 | COc1cc2c(cc1OC)N(C)C[C@@H]1C2=NO[C@H]1CN1CCN(CCC/C(C)=C/c2ccccc2)CC1 | 10.1021/jm049619s | ||
| 11200476 | 78931 | 0 | None | - | 0 | Human | 8.4 | pKi | = | 8.4 | Functional | ChEMBL | 402 | 5 | 0 | 5 | 3.2 | CN1C[C@@H]2C(=NO[C@H]2CN2CCN(C/C=C/c3ccccc3)CC2)c2ccccc21 | 10.1021/jm049619s | ||
| CHEMBL2112970 | 78931 | 0 | None | - | 0 | Human | 8.4 | pKi | = | 8.4 | Functional | ChEMBL | 402 | 5 | 0 | 5 | 3.2 | CN1C[C@@H]2C(=NO[C@H]2CN2CCN(C/C=C/c3ccccc3)CC2)c2ccccc21 | 10.1021/jm049619s | ||
| 44579229 | 189616 | 0 | None | - | 0 | Human | 8.3 | pKi | = | 8.3 | Functional | ChEMBL | 468 | 10 | 1 | 7 | 2.8 | CCCCOc1ncccc1C(=O)NCCN1CCCN(CC2COc3ccccc3O2)CC1 | 10.1016/j.bmcl.2008.08.055 | ||
| CHEMBL514837 | 189616 | 0 | None | - | 0 | Human | 8.3 | pKi | = | 8.3 | Functional | ChEMBL | 468 | 10 | 1 | 7 | 2.8 | CCCCOc1ncccc1C(=O)NCCN1CCCN(CC2COc3ccccc3O2)CC1 | 10.1016/j.bmcl.2008.08.055 | ||
| 135545454 | 78943 | 0 | None | - | 0 | Human | 8.3 | pKi | = | 8.3 | Functional | ChEMBL | 448 | 7 | 1 | 7 | 3.2 | COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C=C/c4ccccc4)CC3)[C@@H]1CN2 | 10.1021/jm049619s | ||
| CHEMBL2112983 | 78943 | 0 | None | - | 0 | Human | 8.3 | pKi | = | 8.3 | Functional | ChEMBL | 448 | 7 | 1 | 7 | 3.2 | COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C=C/c4ccccc4)CC3)[C@@H]1CN2 | 10.1021/jm049619s | ||
| 44324765 | 111568 | 0 | None | - | 0 | Human | 8.2 | pKi | = | 8.2 | Functional | ChEMBL | 449 | 7 | 0 | 7 | 3.1 | COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C=C/c4ccccc4)CC3)[C@@H]1CO2 | 10.1021/jm049619s | ||
| CHEMBL328114 | 111568 | 0 | None | - | 0 | Human | 8.2 | pKi | = | 8.2 | Functional | ChEMBL | 449 | 7 | 0 | 7 | 3.1 | COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C=C/c4ccccc4)CC3)[C@@H]1CO2 | 10.1021/jm049619s | ||
| 71461647 | 78933 | 0 | None | - | 0 | Human | 8.2 | pKi | = | 8.2 | Functional | ChEMBL | 439 | 5 | 0 | 5 | 4.4 | COc1ccc2c(c1)C=C[C@@H]1C2=NO[C@H]1CN1CCN(Cc2ccc3ccccc3c2)CC1 | 10.1021/jm049619s | ||
| CHEMBL2112972 | 78933 | 0 | None | - | 0 | Human | 8.2 | pKi | = | 8.2 | Functional | ChEMBL | 439 | 5 | 0 | 5 | 4.4 | COc1ccc2c(c1)C=C[C@@H]1C2=NO[C@H]1CN1CCN(Cc2ccc3ccccc3c2)CC1 | 10.1021/jm049619s | ||
| 44579271 | 187094 | 0 | None | - | 0 | Human | 8.2 | pKi | = | 8.2 | Functional | ChEMBL | 475 | 9 | 0 | 7 | 4.2 | c1ccc(Oc2ncccc2COCCN2CCCN(CC3COc4ccccc4O3)CC2)cc1 | 10.1016/j.bmcl.2008.08.055 | ||
| CHEMBL491419 | 187094 | 0 | None | - | 0 | Human | 8.2 | pKi | = | 8.2 | Functional | ChEMBL | 475 | 9 | 0 | 7 | 4.2 | c1ccc(Oc2ncccc2COCCN2CCCN(CC3COc4ccccc4O3)CC2)cc1 | 10.1016/j.bmcl.2008.08.055 | ||
| 10073773 | 161123 | 16 | None | - | 0 | Human | 6.2 | pKi | = | 6.2 | Functional | ChEMBL | 477 | 5 | 0 | 6 | 3.4 | COc1ccc2c(c1)c(CN1CCN(C)CC1)cn2S(=O)(=O)c1ccccc1Br | 10.1021/acs.jmedchem.6b01662 | ||
| CHEMBL4082473 | 161123 | 16 | None | - | 0 | Human | 6.2 | pKi | = | 6.2 | Functional | ChEMBL | 477 | 5 | 0 | 6 | 3.4 | COc1ccc2c(c1)c(CN1CCN(C)CC1)cn2S(=O)(=O)c1ccccc1Br | 10.1021/acs.jmedchem.6b01662 | ||
| CHEMBL4117187 | 161123 | 16 | None | - | 0 | Human | 6.2 | pKi | = | 6.2 | Functional | ChEMBL | 477 | 5 | 0 | 6 | 3.4 | COc1ccc2c(c1)c(CN1CCN(C)CC1)cn2S(=O)(=O)c1ccccc1Br | 10.1021/acs.jmedchem.6b01662 | ||
| 44324765 | 111568 | 0 | None | - | 0 | Human | 8.1 | pKi | = | 8.1 | Functional | ChEMBL | 449 | 7 | 0 | 7 | 3.1 | COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C=C/c4ccccc4)CC3)[C@@H]1CO2 | 10.1021/jm049619s | ||
| CHEMBL328114 | 111568 | 0 | None | - | 0 | Human | 8.1 | pKi | = | 8.1 | Functional | ChEMBL | 449 | 7 | 0 | 7 | 3.1 | COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C=C/c4ccccc4)CC3)[C@@H]1CO2 | 10.1021/jm049619s | ||
| 136274357 | 78944 | 0 | None | - | 0 | Human | 8.0 | pKi | = | 8.0 | Functional | ChEMBL | 412 | 4 | 1 | 5 | 3.8 | c1ccc2c(c1)NC[C@@H]1C2=NO[C@H]1CN1CCN(Cc2ccc3ccccc3c2)CC1 | 10.1021/jm049619s | ||
| CHEMBL2112984 | 78944 | 0 | None | - | 0 | Human | 8.0 | pKi | = | 8.0 | Functional | ChEMBL | 412 | 4 | 1 | 5 | 3.8 | c1ccc2c(c1)NC[C@@H]1C2=NO[C@H]1CN1CCN(Cc2ccc3ccccc3c2)CC1 | 10.1021/jm049619s | ||
| 11385652 | 78936 | 0 | None | - | 0 | Human | 8.0 | pKi | = | 8.0 | Functional | ChEMBL | 460 | 6 | 0 | 6 | 3.7 | CCOC(=O)N1C[C@@H]2C(=NO[C@H]2CN2CCN(C/C=C/c3ccccc3)CC2)c2ccccc21 | 10.1021/jm049619s | ||
| CHEMBL2112975 | 78936 | 0 | None | - | 0 | Human | 8.0 | pKi | = | 8.0 | Functional | ChEMBL | 460 | 6 | 0 | 6 | 3.7 | CCOC(=O)N1C[C@@H]2C(=NO[C@H]2CN2CCN(C/C=C/c3ccccc3)CC2)c2ccccc21 | 10.1021/jm049619s | ||
| 1343 | 1889 | 62 | None | -11 | 12 | Human | 8.3 | pEC50 | = | 8.3 | Functional | Drug Central | 245 | 2 | 2 | 1 | 1.3 | O=C(Cc1c(Cl)cccc1Cl)N=C(N)N | None | ||
| 3519 | 1889 | 62 | None | -11 | 12 | Human | 8.3 | pEC50 | = | 8.3 | Functional | Drug Central | 245 | 2 | 2 | 1 | 1.3 | O=C(Cc1c(Cl)cccc1Cl)N=C(N)N | None | ||
| 522 | 1889 | 62 | None | -11 | 12 | Human | 8.3 | pEC50 | = | 8.3 | Functional | Drug Central | 245 | 2 | 2 | 1 | 1.3 | O=C(Cc1c(Cl)cccc1Cl)N=C(N)N | None | ||
| CHEMBL862 | 1889 | 62 | None | -11 | 12 | Human | 8.3 | pEC50 | = | 8.3 | Functional | Drug Central | 245 | 2 | 2 | 1 | 1.3 | O=C(Cc1c(Cl)cccc1Cl)N=C(N)N | None | ||
| DB01018 | 1889 | 62 | None | -11 | 12 | Human | 8.3 | pEC50 | = | 8.3 | Functional | Drug Central | 245 | 2 | 2 | 1 | 1.3 | O=C(Cc1c(Cl)cccc1Cl)N=C(N)N | None | ||
| 2683 | 3834 | 60 | None | -5 | 6 | Human | 8.2 | pEC50 | = | 8.2 | Functional | Drug Central | 253 | 1 | 2 | 6 | 1.7 | Clc1ccc2c(c1NC1=NCCN1)nsn2 | None | ||
| 5487 | 3834 | 60 | None | -5 | 6 | Human | 8.2 | pEC50 | = | 8.2 | Functional | Drug Central | 253 | 1 | 2 | 6 | 1.7 | Clc1ccc2c(c1NC1=NCCN1)nsn2 | None | ||
| 7308 | 3834 | 60 | None | -5 | 6 | Human | 8.2 | pEC50 | = | 8.2 | Functional | Drug Central | 253 | 1 | 2 | 6 | 1.7 | Clc1ccc2c(c1NC1=NCCN1)nsn2 | None | ||
| CHEMBL1079 | 3834 | 60 | None | -5 | 6 | Human | 8.2 | pEC50 | = | 8.2 | Functional | Drug Central | 253 | 1 | 2 | 6 | 1.7 | Clc1ccc2c(c1NC1=NCCN1)nsn2 | None | ||
| DB00697 | 3834 | 60 | None | -5 | 6 | Human | 8.2 | pEC50 | = | 8.2 | Functional | Drug Central | 253 | 1 | 2 | 6 | 1.7 | Clc1ccc2c(c1NC1=NCCN1)nsn2 | None | ||
| 2803 | 955 | 58 | None | -15 | 14 | Human | 8.2 | pEC50 | = | 8.2 | Functional | Drug Central | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | None | ||
| 516 | 955 | 58 | None | -15 | 14 | Human | 8.2 | pEC50 | = | 8.2 | Functional | Drug Central | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | None | ||
| 704 | 955 | 58 | None | -15 | 14 | Human | 8.2 | pEC50 | = | 8.2 | Functional | Drug Central | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | None | ||
| CHEMBL134 | 955 | 58 | None | -15 | 14 | Human | 8.2 | pEC50 | = | 8.2 | Functional | Drug Central | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | None | ||
| DB00575 | 955 | 58 | None | -15 | 14 | Human | 8.2 | pEC50 | = | 8.2 | Functional | Drug Central | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | None | ||
| 2435 | 722 | 100 | None | -7 | 10 | Human | 8.1 | pEC50 | = | 8.1 | Functional | Drug Central | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | None | ||
| 395 | 722 | 100 | None | -7 | 10 | Human | 8.1 | pEC50 | = | 8.1 | Functional | Drug Central | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | None | ||
| 520 | 722 | 100 | None | -7 | 10 | Human | 8.1 | pEC50 | = | 8.1 | Functional | Drug Central | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | None | ||
| 5386 | 722 | 100 | None | -7 | 10 | Human | 8.1 | pEC50 | = | 8.1 | Functional | Drug Central | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | None | ||
| CHEMBL844 | 722 | 100 | None | -7 | 10 | Human | 8.1 | pEC50 | = | 8.1 | Functional | Drug Central | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | None | ||
| DB00484 | 722 | 100 | None | -7 | 10 | Human | 8.1 | pEC50 | = | 8.1 | Functional | Drug Central | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | None | ||
| 124 | 2981 | 47 | None | -144 | 24 | Human | 6.9 | pEC50 | = | 6.9 | Functional | Guide to Pharmacology | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | 25080296 | ||
| 2032 | 2981 | 47 | None | -144 | 24 | Human | 6.9 | pEC50 | = | 6.9 | Functional | Guide to Pharmacology | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | 25080296 | ||
| 4636 | 2981 | 47 | None | -144 | 24 | Human | 6.9 | pEC50 | = | 6.9 | Functional | Guide to Pharmacology | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | 25080296 | ||
| CHEMBL762 | 2981 | 47 | None | -144 | 24 | Human | 6.9 | pEC50 | = | 6.9 | Functional | Guide to Pharmacology | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | 25080296 | ||
| DB00935 | 2981 | 47 | None | -144 | 24 | Human | 6.9 | pEC50 | = | 6.9 | Functional | Guide to Pharmacology | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | 25080296 | ||
| 2803 | 955 | 58 | None | -15 | 14 | Human | 5.7 | pEC50 | = | 5.7 | Functional | Guide to Pharmacology | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | 25080296 | ||
| 516 | 955 | 58 | None | -15 | 14 | Human | 5.7 | pEC50 | = | 5.7 | Functional | Guide to Pharmacology | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | 25080296 | ||
| 704 | 955 | 58 | None | -15 | 14 | Human | 5.7 | pEC50 | = | 5.7 | Functional | Guide to Pharmacology | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | 25080296 | ||
| CHEMBL134 | 955 | 58 | None | -15 | 14 | Human | 5.7 | pEC50 | = | 5.7 | Functional | Guide to Pharmacology | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | 25080296 | ||
| DB00575 | 955 | 58 | None | -15 | 14 | Human | 5.7 | pEC50 | = | 5.7 | Functional | Guide to Pharmacology | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | 25080296 | ||
| 12574 | 2605 | 88 | None | -26 | 8 | Human | 5.0 | pEC50 | = | 5.0 | Functional | Guide to Pharmacology | 241 | 2 | 2 | 6 | 0.8 | CC1=NC(=C(C(=N1)Cl)NC2=NCCN2)OC | 25080296 | ||
| 4810 | 2605 | 88 | None | -26 | 8 | Human | 5.0 | pEC50 | = | 5.0 | Functional | Guide to Pharmacology | 241 | 2 | 2 | 6 | 0.8 | CC1=NC(=C(C(=N1)Cl)NC2=NCCN2)OC | 25080296 | ||
| CHEMBL19236 | 2605 | 88 | None | -26 | 8 | Human | 5.0 | pEC50 | = | 5.0 | Functional | Guide to Pharmacology | 241 | 2 | 2 | 6 | 0.8 | CC1=NC(=C(C(=N1)Cl)NC2=NCCN2)OC | 25080296 | ||
| DB09242 | 2605 | 88 | None | -26 | 8 | Human | 5.0 | pEC50 | = | 5.0 | Functional | Guide to Pharmacology | 241 | 2 | 2 | 6 | 0.8 | CC1=NC(=C(C(=N1)Cl)NC2=NCCN2)OC | 25080296 | ||
| 3952 | 1888 | 38 | None | -18 | 21 | Human | 5.9 | pEC50 | = | 5.9 | Functional | Guide to Pharmacology | 230 | 2 | 2 | 2 | 1.6 | NC(=N/N=C\c1c(Cl)cccc1Cl)N | 25080296 | ||
| 5353646 | 1888 | 38 | None | -18 | 21 | Human | 5.9 | pEC50 | = | 5.9 | Functional | Guide to Pharmacology | 230 | 2 | 2 | 2 | 1.6 | NC(=N/N=C\c1c(Cl)cccc1Cl)N | 25080296 | ||
| 5443 | 1888 | 38 | None | -18 | 21 | Human | 5.9 | pEC50 | = | 5.9 | Functional | Guide to Pharmacology | 230 | 2 | 2 | 2 | 1.6 | NC(=N/N=C\c1c(Cl)cccc1Cl)N | 25080296 | ||
| 5702063 | 1888 | 38 | None | -18 | 21 | Human | 5.9 | pEC50 | = | 5.9 | Functional | Guide to Pharmacology | 230 | 2 | 2 | 2 | 1.6 | NC(=N/N=C\c1c(Cl)cccc1Cl)N | 25080296 | ||
| CHEMBL1331786 | 1888 | 38 | None | -18 | 21 | Human | 5.9 | pEC50 | = | 5.9 | Functional | Guide to Pharmacology | 230 | 2 | 2 | 2 | 1.6 | NC(=N/N=C\c1c(Cl)cccc1Cl)N | 25080296 | ||
| CHEMBL420 | 1888 | 38 | None | -18 | 21 | Human | 5.9 | pEC50 | = | 5.9 | Functional | Guide to Pharmacology | 230 | 2 | 2 | 2 | 1.6 | NC(=N/N=C\c1c(Cl)cccc1Cl)N | 25080296 | ||
| 2435 | 722 | 100 | None | -7 | 10 | Human | 6.4 | pEC50 | = | 6.4 | Functional | Guide to Pharmacology | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | 25080296 | ||
| 395 | 722 | 100 | None | -7 | 10 | Human | 6.4 | pEC50 | = | 6.4 | Functional | Guide to Pharmacology | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | 25080296 | ||
| 520 | 722 | 100 | None | -7 | 10 | Human | 6.4 | pEC50 | = | 6.4 | Functional | Guide to Pharmacology | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | 25080296 | ||
| 5386 | 722 | 100 | None | -7 | 10 | Human | 6.4 | pEC50 | = | 6.4 | Functional | Guide to Pharmacology | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | 25080296 | ||
| CHEMBL844 | 722 | 100 | None | -7 | 10 | Human | 6.4 | pEC50 | = | 6.4 | Functional | Guide to Pharmacology | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | 25080296 | ||
| DB00484 | 722 | 100 | None | -7 | 10 | Human | 6.4 | pEC50 | = | 6.4 | Functional | Guide to Pharmacology | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | 25080296 | ||
| 1960 | 2857 | 67 | None | -11 | 18 | Human | 6.3 | pEC50 | = | 6.3 | Functional | Guide to Pharmacology | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 25080296 | ||
| 439260 | 2857 | 67 | None | -11 | 18 | Human | 6.3 | pEC50 | = | 6.3 | Functional | Guide to Pharmacology | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 25080296 | ||
| 505 | 2857 | 67 | None | -11 | 18 | Human | 6.3 | pEC50 | = | 6.3 | Functional | Guide to Pharmacology | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 25080296 | ||
| CHEMBL1437 | 2857 | 67 | None | -11 | 18 | Human | 6.3 | pEC50 | = | 6.3 | Functional | Guide to Pharmacology | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 25080296 | ||
| DB00368 | 2857 | 67 | None | -11 | 18 | Human | 6.3 | pEC50 | = | 6.3 | Functional | Guide to Pharmacology | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 25080296 | ||
| 12574 | 2605 | 88 | None | -26 | 8 | Human | 6.9 | pEC50 | = | 6.9 | Functional | Guide to Pharmacology | 241 | 2 | 2 | 6 | 0.8 | CC1=NC(=C(C(=N1)Cl)NC2=NCCN2)OC | 36101495 | ||
| 4810 | 2605 | 88 | None | -26 | 8 | Human | 6.9 | pEC50 | = | 6.9 | Functional | Guide to Pharmacology | 241 | 2 | 2 | 6 | 0.8 | CC1=NC(=C(C(=N1)Cl)NC2=NCCN2)OC | 36101495 | ||
| CHEMBL19236 | 2605 | 88 | None | -26 | 8 | Human | 6.9 | pEC50 | = | 6.9 | Functional | Guide to Pharmacology | 241 | 2 | 2 | 6 | 0.8 | CC1=NC(=C(C(=N1)Cl)NC2=NCCN2)OC | 36101495 | ||
| DB09242 | 2605 | 88 | None | -26 | 8 | Human | 6.9 | pEC50 | = | 6.9 | Functional | Guide to Pharmacology | 241 | 2 | 2 | 6 | 0.8 | CC1=NC(=C(C(=N1)Cl)NC2=NCCN2)OC | 36101495 | ||
| 523 | 4106 | 93 | None | -1 | 5 | Human | 7.1 | pEC50 | = | 7.1 | Functional | Guide to Pharmacology | 220 | 1 | 1 | 3 | 3.2 | Cc1cccc(c1NC1=NCCCS1)C | 36101495 | ||
| 5707 | 4106 | 93 | None | -1 | 5 | Human | 7.1 | pEC50 | = | 7.1 | Functional | Guide to Pharmacology | 220 | 1 | 1 | 3 | 3.2 | Cc1cccc(c1NC1=NCCCS1)C | 36101495 | ||
| CHEMBL297362 | 4106 | 93 | None | -1 | 5 | Human | 7.1 | pEC50 | = | 7.1 | Functional | Guide to Pharmacology | 220 | 1 | 1 | 3 | 3.2 | Cc1cccc(c1NC1=NCCCS1)C | 36101495 | ||
| DB11477 | 4106 | 93 | None | -1 | 5 | Human | 7.1 | pEC50 | = | 7.1 | Functional | Guide to Pharmacology | 220 | 1 | 1 | 3 | 3.2 | Cc1cccc(c1NC1=NCCCS1)C | 36101495 | ||
| 1028 | 291 | 71 | None | -44 | 19 | Human | 7.6 | pEC50 | = | 7.6 | Functional | Guide to Pharmacology | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 36101495 | ||
| 139148732 | 291 | 71 | None | -44 | 19 | Human | 7.6 | pEC50 | = | 7.6 | Functional | Guide to Pharmacology | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 36101495 | ||
| 479 | 291 | 71 | None | -44 | 19 | Human | 7.6 | pEC50 | = | 7.6 | Functional | Guide to Pharmacology | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 36101495 | ||
| 5816 | 291 | 71 | None | -44 | 19 | Human | 7.6 | pEC50 | = | 7.6 | Functional | Guide to Pharmacology | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 36101495 | ||
| CHEMBL679 | 291 | 71 | None | -44 | 19 | Human | 7.6 | pEC50 | = | 7.6 | Functional | Guide to Pharmacology | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 36101495 | ||
| DB00668 | 291 | 71 | None | -44 | 19 | Human | 7.6 | pEC50 | = | 7.6 | Functional | Guide to Pharmacology | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 36101495 | ||
| 11079 | 2733 | 63 | None | -13 | 7 | Human | 7.7 | pEC50 | = | 7.7 | Functional | Guide to Pharmacology | 210 | 2 | 1 | 2 | 2.4 | C1CN=C(N1)Cc1cccc2c1cccc2 | 36101495 | ||
| 3369 | 2733 | 63 | None | -13 | 7 | Human | 7.7 | pEC50 | = | 7.7 | Functional | Guide to Pharmacology | 210 | 2 | 1 | 2 | 2.4 | C1CN=C(N1)Cc1cccc2c1cccc2 | 36101495 | ||
| 4436 | 2733 | 63 | None | -13 | 7 | Human | 7.7 | pEC50 | = | 7.7 | Functional | Guide to Pharmacology | 210 | 2 | 1 | 2 | 2.4 | C1CN=C(N1)Cc1cccc2c1cccc2 | 36101495 | ||
| 5509 | 2733 | 63 | None | -13 | 7 | Human | 7.7 | pEC50 | = | 7.7 | Functional | Guide to Pharmacology | 210 | 2 | 1 | 2 | 2.4 | C1CN=C(N1)Cc1cccc2c1cccc2 | 36101495 | ||
| CHEMBL761 | 2733 | 63 | None | -13 | 7 | Human | 7.7 | pEC50 | = | 7.7 | Functional | Guide to Pharmacology | 210 | 2 | 1 | 2 | 2.4 | C1CN=C(N1)Cc1cccc2c1cccc2 | 36101495 | ||
| DB06711 | 2733 | 63 | None | -13 | 7 | Human | 7.7 | pEC50 | = | 7.7 | Functional | Guide to Pharmacology | 210 | 2 | 1 | 2 | 2.4 | C1CN=C(N1)Cc1cccc2c1cccc2 | 36101495 | ||
| 1960 | 2857 | 67 | None | -11 | 18 | Human | 7.7 | pEC50 | = | 7.7 | Functional | Guide to Pharmacology | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 36101495 | ||
| 439260 | 2857 | 67 | None | -11 | 18 | Human | 7.7 | pEC50 | = | 7.7 | Functional | Guide to Pharmacology | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 36101495 | ||
| 505 | 2857 | 67 | None | -11 | 18 | Human | 7.7 | pEC50 | = | 7.7 | Functional | Guide to Pharmacology | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 36101495 | ||
| CHEMBL1437 | 2857 | 67 | None | -11 | 18 | Human | 7.7 | pEC50 | = | 7.7 | Functional | Guide to Pharmacology | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 36101495 | ||
| DB00368 | 2857 | 67 | None | -11 | 18 | Human | 7.7 | pEC50 | = | 7.7 | Functional | Guide to Pharmacology | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 36101495 | ||
| 2803 | 955 | 58 | None | -15 | 14 | Human | 7.8 | pEC50 | = | 7.8 | Functional | Guide to Pharmacology | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | 36101495 | ||
| 516 | 955 | 58 | None | -15 | 14 | Human | 7.8 | pEC50 | = | 7.8 | Functional | Guide to Pharmacology | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | 36101495 | ||
| 704 | 955 | 58 | None | -15 | 14 | Human | 7.8 | pEC50 | = | 7.8 | Functional | Guide to Pharmacology | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | 36101495 | ||
| CHEMBL134 | 955 | 58 | None | -15 | 14 | Human | 7.8 | pEC50 | = | 7.8 | Functional | Guide to Pharmacology | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | 36101495 | ||
| DB00575 | 955 | 58 | None | -15 | 14 | Human | 7.8 | pEC50 | = | 7.8 | Functional | Guide to Pharmacology | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | 36101495 | ||
| 1343 | 1889 | 62 | None | -11 | 12 | Human | 8.0 | pEC50 | = | 8 | Functional | Guide to Pharmacology | 245 | 2 | 2 | 1 | 1.3 | O=C(Cc1c(Cl)cccc1Cl)N=C(N)N | 36101495 | ||
| 3519 | 1889 | 62 | None | -11 | 12 | Human | 8.0 | pEC50 | = | 8 | Functional | Guide to Pharmacology | 245 | 2 | 2 | 1 | 1.3 | O=C(Cc1c(Cl)cccc1Cl)N=C(N)N | 36101495 | ||
| 522 | 1889 | 62 | None | -11 | 12 | Human | 8.0 | pEC50 | = | 8 | Functional | Guide to Pharmacology | 245 | 2 | 2 | 1 | 1.3 | O=C(Cc1c(Cl)cccc1Cl)N=C(N)N | 36101495 | ||
| CHEMBL862 | 1889 | 62 | None | -11 | 12 | Human | 8.0 | pEC50 | = | 8 | Functional | Guide to Pharmacology | 245 | 2 | 2 | 1 | 1.3 | O=C(Cc1c(Cl)cccc1Cl)N=C(N)N | 36101495 | ||
| DB01018 | 1889 | 62 | None | -11 | 12 | Human | 8.0 | pEC50 | = | 8 | Functional | Guide to Pharmacology | 245 | 2 | 2 | 1 | 1.3 | O=C(Cc1c(Cl)cccc1Cl)N=C(N)N | 36101495 | ||
| 2435 | 722 | 100 | None | -7 | 10 | Human | 8.2 | pEC50 | = | 8.2 | Functional | Guide to Pharmacology | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | 36101495 | ||
| 395 | 722 | 100 | None | -7 | 10 | Human | 8.2 | pEC50 | = | 8.2 | Functional | Guide to Pharmacology | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | 36101495 | ||
| 520 | 722 | 100 | None | -7 | 10 | Human | 8.2 | pEC50 | = | 8.2 | Functional | Guide to Pharmacology | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | 36101495 | ||
| 5386 | 722 | 100 | None | -7 | 10 | Human | 8.2 | pEC50 | = | 8.2 | Functional | Guide to Pharmacology | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | 36101495 | ||
| CHEMBL844 | 722 | 100 | None | -7 | 10 | Human | 8.2 | pEC50 | = | 8.2 | Functional | Guide to Pharmacology | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | 36101495 | ||
| DB00484 | 722 | 100 | None | -7 | 10 | Human | 8.2 | pEC50 | = | 8.2 | Functional | Guide to Pharmacology | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | 36101495 | ||
| 3952 | 1888 | 38 | None | -18 | 21 | Human | 8.4 | pEC50 | = | 8.4 | Functional | Guide to Pharmacology | 230 | 2 | 2 | 2 | 1.6 | NC(=N/N=C\c1c(Cl)cccc1Cl)N | 36101495 | ||
| 5353646 | 1888 | 38 | None | -18 | 21 | Human | 8.4 | pEC50 | = | 8.4 | Functional | Guide to Pharmacology | 230 | 2 | 2 | 2 | 1.6 | NC(=N/N=C\c1c(Cl)cccc1Cl)N | 36101495 | ||
| 5443 | 1888 | 38 | None | -18 | 21 | Human | 8.4 | pEC50 | = | 8.4 | Functional | Guide to Pharmacology | 230 | 2 | 2 | 2 | 1.6 | NC(=N/N=C\c1c(Cl)cccc1Cl)N | 36101495 | ||
| 5702063 | 1888 | 38 | None | -18 | 21 | Human | 8.4 | pEC50 | = | 8.4 | Functional | Guide to Pharmacology | 230 | 2 | 2 | 2 | 1.6 | NC(=N/N=C\c1c(Cl)cccc1Cl)N | 36101495 | ||
| CHEMBL1331786 | 1888 | 38 | None | -18 | 21 | Human | 8.4 | pEC50 | = | 8.4 | Functional | Guide to Pharmacology | 230 | 2 | 2 | 2 | 1.6 | NC(=N/N=C\c1c(Cl)cccc1Cl)N | 36101495 | ||
| CHEMBL420 | 1888 | 38 | None | -18 | 21 | Human | 8.4 | pEC50 | = | 8.4 | Functional | Guide to Pharmacology | 230 | 2 | 2 | 2 | 1.6 | NC(=N/N=C\c1c(Cl)cccc1Cl)N | 36101495 | ||
| 521 | 1404 | 69 | None | -4 | 5 | Human | 9.6 | pEC50 | = | 9.6 | Functional | Guide to Pharmacology | 200 | 2 | 1 | 1 | 3.2 | Cc1cccc(c1C)[C@@H](c1c[nH]cn1)C | 36101495 | ||
| 5311068 | 1404 | 69 | None | -4 | 5 | Human | 9.6 | pEC50 | = | 9.6 | Functional | Guide to Pharmacology | 200 | 2 | 1 | 1 | 3.2 | Cc1cccc(c1C)[C@@H](c1c[nH]cn1)C | 36101495 | ||
| 835 | 1404 | 69 | None | -4 | 5 | Human | 9.6 | pEC50 | = | 9.6 | Functional | Guide to Pharmacology | 200 | 2 | 1 | 1 | 3.2 | Cc1cccc(c1C)[C@@H](c1c[nH]cn1)C | 36101495 | ||
| CHEMBL778 | 1404 | 69 | None | -4 | 5 | Human | 9.6 | pEC50 | = | 9.6 | Functional | Guide to Pharmacology | 200 | 2 | 1 | 1 | 3.2 | Cc1cccc(c1C)[C@@H](c1c[nH]cn1)C | 36101495 | ||
| DB00633 | 1404 | 69 | None | -4 | 5 | Human | 9.6 | pEC50 | = | 9.6 | Functional | Guide to Pharmacology | 200 | 2 | 1 | 1 | 3.2 | Cc1cccc(c1C)[C@@H](c1c[nH]cn1)C | 36101495 | ||
| 30699 | 217704 | 0 | None | -1 | 14 | Human | 8.3 | pIC50 | = | 8.3 | Functional | Drug Central | 423 | 7 | 2 | 8 | 0.5 | CC(=O)OCC1=C(N2[C@H](SC1)[C@H](NC(=O)CSC1=CC=NC=C1)C2=O)C(O)=O | None | ||
| 2337 | 3256 | 77 | None | -8 | 29 | Human | 8.2 | pIC50 | = | 8.2 | Functional | Drug Central | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | None | ||
| 50 | 3256 | 77 | None | -8 | 29 | Human | 8.2 | pIC50 | = | 8.2 | Functional | Drug Central | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | None | ||
| 5002 | 3256 | 77 | None | -8 | 29 | Human | 8.2 | pIC50 | = | 8.2 | Functional | Drug Central | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | None | ||
| CHEMBL716 | 3256 | 77 | None | -8 | 29 | Human | 8.2 | pIC50 | = | 8.2 | Functional | Drug Central | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | None | ||
| DB01224 | 3256 | 77 | None | -8 | 29 | Human | 8.2 | pIC50 | = | 8.2 | Functional | Drug Central | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | None | ||
| 1225 | 1471 | 26 | None | -3 | 11 | Human | 8.2 | pIC50 | = | 8.2 | Functional | Drug Central | 279 | 3 | 0 | 2 | 4.0 | CN(CC/C=C\1/c2ccccc2OCc2c1cccc2)C | None | ||
| 3958 | 1471 | 26 | None | -3 | 11 | Human | 8.2 | pIC50 | = | 8.2 | Functional | Drug Central | 279 | 3 | 0 | 2 | 4.0 | CN(CC/C=C\1/c2ccccc2OCc2c1cccc2)C | None | ||
| 667477 | 1471 | 26 | None | -3 | 11 | Human | 8.2 | pIC50 | = | 8.2 | Functional | Drug Central | 279 | 3 | 0 | 2 | 4.0 | CN(CC/C=C\1/c2ccccc2OCc2c1cccc2)C | None | ||
| CHEMBL860 | 1471 | 26 | None | -3 | 11 | Human | 8.2 | pIC50 | = | 8.2 | Functional | Drug Central | 279 | 3 | 0 | 2 | 4.0 | CN(CC/C=C\1/c2ccccc2OCc2c1cccc2)C | None | ||
| DB01142 | 1471 | 26 | None | -3 | 11 | Human | 8.2 | pIC50 | = | 8.2 | Functional | Drug Central | 279 | 3 | 0 | 2 | 4.0 | CN(CC/C=C\1/c2ccccc2OCc2c1cccc2)C | None | ||
| 1816 | 2540 | 102 | None | -43 | 12 | Human | 6.7 | pIC50 | = | 6.7 | Functional | Guide to Pharmacology | 265 | 0 | 0 | 3 | 2.5 | CN1CCN2C(C1)c1ccccc1Cc1c2nccc1 | 10636247 | ||
| 4205 | 2540 | 102 | None | -43 | 12 | Human | 6.7 | pIC50 | = | 6.7 | Functional | Guide to Pharmacology | 265 | 0 | 0 | 3 | 2.5 | CN1CCN2C(C1)c1ccccc1Cc1c2nccc1 | 10636247 | ||
| 7241 | 2540 | 102 | None | -43 | 12 | Human | 6.7 | pIC50 | = | 6.7 | Functional | Guide to Pharmacology | 265 | 0 | 0 | 3 | 2.5 | CN1CCN2C(C1)c1ccccc1Cc1c2nccc1 | 10636247 | ||
| CHEMBL654 | 2540 | 102 | None | -43 | 12 | Human | 6.7 | pIC50 | = | 6.7 | Functional | Guide to Pharmacology | 265 | 0 | 0 | 3 | 2.5 | CN1CCN2C(C1)c1ccccc1Cc1c2nccc1 | 10636247 | ||
| DB00370 | 2540 | 102 | None | -43 | 12 | Human | 6.7 | pIC50 | = | 6.7 | Functional | Guide to Pharmacology | 265 | 0 | 0 | 3 | 2.5 | CN1CCN2C(C1)c1ccccc1Cc1c2nccc1 | 10636247 | ||
| 102 | 4127 | 48 | None | -2 | 20 | Human | 7.4 | pIC50 | = | 7.4 | Functional | Guide to Pharmacology | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | 25080296 | ||
| 3659 | 4127 | 48 | None | -2 | 20 | Human | 7.4 | pIC50 | = | 7.4 | Functional | Guide to Pharmacology | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | 25080296 | ||
| 8969 | 4127 | 48 | None | -2 | 20 | Human | 7.4 | pIC50 | = | 7.4 | Functional | Guide to Pharmacology | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | 25080296 | ||
| CHEMBL15245 | 4127 | 48 | None | -2 | 20 | Human | 7.4 | pIC50 | = | 7.4 | Functional | Guide to Pharmacology | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | 25080296 | ||
| DB01392 | 4127 | 48 | None | -2 | 20 | Human | 7.4 | pIC50 | = | 7.4 | Functional | Guide to Pharmacology | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | 25080296 | ||
| 12577 | 2563 | 0 | None | - | 1 | Human | 8.9 | pIC50 | = | 8.9 | Functional | Guide to Pharmacology | 339 | 0 | 0 | 3 | 3.3 | CN1CC[C@]2(CCN3CCC4=C([C@@H]3C2)OC5=CC=CC=C45)N(C1=O)C | 25080296 | ||
| 189711 | 2563 | 0 | None | - | 1 | Human | 8.9 | pIC50 | = | 8.9 | Functional | Guide to Pharmacology | 339 | 0 | 0 | 3 | 3.3 | CN1CC[C@]2(CCN3CCC4=C([C@@H]3C2)OC5=CC=CC=C45)N(C1=O)C | 25080296 | ||
| CHEMBL1257057 | 2563 | 0 | None | - | 1 | Human | 8.9 | pIC50 | = | 8.9 | Functional | Guide to Pharmacology | 339 | 0 | 0 | 3 | 3.3 | CN1CC[C@]2(CCN3CCC4=C([C@@H]3C2)OC5=CC=CC=C45)N(C1=O)C | 25080296 | ||
| 12574 | 2605 | 88 | None | -26 | 8 | Human | 6.5 | pIC50 | = | 6.5 | Functional | Guide to Pharmacology | 241 | 2 | 2 | 6 | 0.8 | CC1=NC(=C(C(=N1)Cl)NC2=NCCN2)OC | 25080296 | ||
| 12574 | 2605 | 88 | None | -26 | 8 | Human | 6.5 | pIC50 | = | 6.5 | Functional | Guide to Pharmacology | 241 | 2 | 2 | 6 | 0.8 | CC1=NC(=C(C(=N1)Cl)NC2=NCCN2)OC | 36101495 | ||
| 4810 | 2605 | 88 | None | -26 | 8 | Human | 6.5 | pIC50 | = | 6.5 | Functional | Guide to Pharmacology | 241 | 2 | 2 | 6 | 0.8 | CC1=NC(=C(C(=N1)Cl)NC2=NCCN2)OC | 25080296 | ||
| 4810 | 2605 | 88 | None | -26 | 8 | Human | 6.5 | pIC50 | = | 6.5 | Functional | Guide to Pharmacology | 241 | 2 | 2 | 6 | 0.8 | CC1=NC(=C(C(=N1)Cl)NC2=NCCN2)OC | 36101495 | ||
| CHEMBL19236 | 2605 | 88 | None | -26 | 8 | Human | 6.5 | pIC50 | = | 6.5 | Functional | Guide to Pharmacology | 241 | 2 | 2 | 6 | 0.8 | CC1=NC(=C(C(=N1)Cl)NC2=NCCN2)OC | 25080296 | ||
| CHEMBL19236 | 2605 | 88 | None | -26 | 8 | Human | 6.5 | pIC50 | = | 6.5 | Functional | Guide to Pharmacology | 241 | 2 | 2 | 6 | 0.8 | CC1=NC(=C(C(=N1)Cl)NC2=NCCN2)OC | 36101495 | ||
| DB09242 | 2605 | 88 | None | -26 | 8 | Human | 6.5 | pIC50 | = | 6.5 | Functional | Guide to Pharmacology | 241 | 2 | 2 | 6 | 0.8 | CC1=NC(=C(C(=N1)Cl)NC2=NCCN2)OC | 25080296 | ||
| DB09242 | 2605 | 88 | None | -26 | 8 | Human | 6.5 | pIC50 | = | 6.5 | Functional | Guide to Pharmacology | 241 | 2 | 2 | 6 | 0.8 | CC1=NC(=C(C(=N1)Cl)NC2=NCCN2)OC | 36101495 | ||
| 1028 | 291 | 71 | None | -44 | 19 | Human | 6.7 | pIC50 | = | 6.7 | Functional | Guide to Pharmacology | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 36101495 | ||
| 139148732 | 291 | 71 | None | -44 | 19 | Human | 6.7 | pIC50 | = | 6.7 | Functional | Guide to Pharmacology | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 36101495 | ||
| 479 | 291 | 71 | None | -44 | 19 | Human | 6.7 | pIC50 | = | 6.7 | Functional | Guide to Pharmacology | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 36101495 | ||
| 5816 | 291 | 71 | None | -44 | 19 | Human | 6.7 | pIC50 | = | 6.7 | Functional | Guide to Pharmacology | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 36101495 | ||
| CHEMBL679 | 291 | 71 | None | -44 | 19 | Human | 6.7 | pIC50 | = | 6.7 | Functional | Guide to Pharmacology | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 36101495 | ||
| DB00668 | 291 | 71 | None | -44 | 19 | Human | 6.7 | pIC50 | = | 6.7 | Functional | Guide to Pharmacology | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 36101495 | ||
| 523 | 4106 | 93 | None | -1 | 5 | Human | 6.8 | pIC50 | = | 6.8 | Functional | Guide to Pharmacology | 220 | 1 | 1 | 3 | 3.2 | Cc1cccc(c1NC1=NCCCS1)C | 36101495 | ||
| 5707 | 4106 | 93 | None | -1 | 5 | Human | 6.8 | pIC50 | = | 6.8 | Functional | Guide to Pharmacology | 220 | 1 | 1 | 3 | 3.2 | Cc1cccc(c1NC1=NCCCS1)C | 36101495 | ||
| CHEMBL297362 | 4106 | 93 | None | -1 | 5 | Human | 6.8 | pIC50 | = | 6.8 | Functional | Guide to Pharmacology | 220 | 1 | 1 | 3 | 3.2 | Cc1cccc(c1NC1=NCCCS1)C | 36101495 | ||
| DB11477 | 4106 | 93 | None | -1 | 5 | Human | 6.8 | pIC50 | = | 6.8 | Functional | Guide to Pharmacology | 220 | 1 | 1 | 3 | 3.2 | Cc1cccc(c1NC1=NCCCS1)C | 36101495 | ||
| 3952 | 1888 | 38 | None | -18 | 21 | Human | 7.0 | pIC50 | = | 7.0 | Functional | Guide to Pharmacology | 230 | 2 | 2 | 2 | 1.6 | NC(=N/N=C\c1c(Cl)cccc1Cl)N | 25080296 | ||
| 3952 | 1888 | 38 | None | -18 | 21 | Human | 7.0 | pIC50 | = | 7.0 | Functional | Guide to Pharmacology | 230 | 2 | 2 | 2 | 1.6 | NC(=N/N=C\c1c(Cl)cccc1Cl)N | 36101495 | ||
| 5353646 | 1888 | 38 | None | -18 | 21 | Human | 7.0 | pIC50 | = | 7.0 | Functional | Guide to Pharmacology | 230 | 2 | 2 | 2 | 1.6 | NC(=N/N=C\c1c(Cl)cccc1Cl)N | 25080296 | ||
| 5353646 | 1888 | 38 | None | -18 | 21 | Human | 7.0 | pIC50 | = | 7.0 | Functional | Guide to Pharmacology | 230 | 2 | 2 | 2 | 1.6 | NC(=N/N=C\c1c(Cl)cccc1Cl)N | 36101495 | ||
| 5443 | 1888 | 38 | None | -18 | 21 | Human | 7.0 | pIC50 | = | 7.0 | Functional | Guide to Pharmacology | 230 | 2 | 2 | 2 | 1.6 | NC(=N/N=C\c1c(Cl)cccc1Cl)N | 25080296 | ||
| 5443 | 1888 | 38 | None | -18 | 21 | Human | 7.0 | pIC50 | = | 7.0 | Functional | Guide to Pharmacology | 230 | 2 | 2 | 2 | 1.6 | NC(=N/N=C\c1c(Cl)cccc1Cl)N | 36101495 | ||
| 5702063 | 1888 | 38 | None | -18 | 21 | Human | 7.0 | pIC50 | = | 7.0 | Functional | Guide to Pharmacology | 230 | 2 | 2 | 2 | 1.6 | NC(=N/N=C\c1c(Cl)cccc1Cl)N | 25080296 | ||
| 5702063 | 1888 | 38 | None | -18 | 21 | Human | 7.0 | pIC50 | = | 7.0 | Functional | Guide to Pharmacology | 230 | 2 | 2 | 2 | 1.6 | NC(=N/N=C\c1c(Cl)cccc1Cl)N | 36101495 | ||
| CHEMBL1331786 | 1888 | 38 | None | -18 | 21 | Human | 7.0 | pIC50 | = | 7.0 | Functional | Guide to Pharmacology | 230 | 2 | 2 | 2 | 1.6 | NC(=N/N=C\c1c(Cl)cccc1Cl)N | 25080296 | ||
| CHEMBL1331786 | 1888 | 38 | None | -18 | 21 | Human | 7.0 | pIC50 | = | 7.0 | Functional | Guide to Pharmacology | 230 | 2 | 2 | 2 | 1.6 | NC(=N/N=C\c1c(Cl)cccc1Cl)N | 36101495 | ||
| CHEMBL420 | 1888 | 38 | None | -18 | 21 | Human | 7.0 | pIC50 | = | 7.0 | Functional | Guide to Pharmacology | 230 | 2 | 2 | 2 | 1.6 | NC(=N/N=C\c1c(Cl)cccc1Cl)N | 25080296 | ||
| CHEMBL420 | 1888 | 38 | None | -18 | 21 | Human | 7.0 | pIC50 | = | 7.0 | Functional | Guide to Pharmacology | 230 | 2 | 2 | 2 | 1.6 | NC(=N/N=C\c1c(Cl)cccc1Cl)N | 36101495 | ||
| 11079 | 2733 | 63 | None | -13 | 7 | Human | 7.1 | pIC50 | = | 7.1 | Functional | Guide to Pharmacology | 210 | 2 | 1 | 2 | 2.4 | C1CN=C(N1)Cc1cccc2c1cccc2 | 36101495 | ||
| 3369 | 2733 | 63 | None | -13 | 7 | Human | 7.1 | pIC50 | = | 7.1 | Functional | Guide to Pharmacology | 210 | 2 | 1 | 2 | 2.4 | C1CN=C(N1)Cc1cccc2c1cccc2 | 36101495 | ||
| 4436 | 2733 | 63 | None | -13 | 7 | Human | 7.1 | pIC50 | = | 7.1 | Functional | Guide to Pharmacology | 210 | 2 | 1 | 2 | 2.4 | C1CN=C(N1)Cc1cccc2c1cccc2 | 36101495 | ||
| 5509 | 2733 | 63 | None | -13 | 7 | Human | 7.1 | pIC50 | = | 7.1 | Functional | Guide to Pharmacology | 210 | 2 | 1 | 2 | 2.4 | C1CN=C(N1)Cc1cccc2c1cccc2 | 36101495 | ||
| CHEMBL761 | 2733 | 63 | None | -13 | 7 | Human | 7.1 | pIC50 | = | 7.1 | Functional | Guide to Pharmacology | 210 | 2 | 1 | 2 | 2.4 | C1CN=C(N1)Cc1cccc2c1cccc2 | 36101495 | ||
| DB06711 | 2733 | 63 | None | -13 | 7 | Human | 7.1 | pIC50 | = | 7.1 | Functional | Guide to Pharmacology | 210 | 2 | 1 | 2 | 2.4 | C1CN=C(N1)Cc1cccc2c1cccc2 | 36101495 | ||
| 1343 | 1889 | 62 | None | -11 | 12 | Human | 7.2 | pIC50 | = | 7.2 | Functional | Guide to Pharmacology | 245 | 2 | 2 | 1 | 1.3 | O=C(Cc1c(Cl)cccc1Cl)N=C(N)N | 36101495 | ||
| 3519 | 1889 | 62 | None | -11 | 12 | Human | 7.2 | pIC50 | = | 7.2 | Functional | Guide to Pharmacology | 245 | 2 | 2 | 1 | 1.3 | O=C(Cc1c(Cl)cccc1Cl)N=C(N)N | 36101495 | ||
| 522 | 1889 | 62 | None | -11 | 12 | Human | 7.2 | pIC50 | = | 7.2 | Functional | Guide to Pharmacology | 245 | 2 | 2 | 1 | 1.3 | O=C(Cc1c(Cl)cccc1Cl)N=C(N)N | 36101495 | ||
| CHEMBL862 | 1889 | 62 | None | -11 | 12 | Human | 7.2 | pIC50 | = | 7.2 | Functional | Guide to Pharmacology | 245 | 2 | 2 | 1 | 1.3 | O=C(Cc1c(Cl)cccc1Cl)N=C(N)N | 36101495 | ||
| DB01018 | 1889 | 62 | None | -11 | 12 | Human | 7.2 | pIC50 | = | 7.2 | Functional | Guide to Pharmacology | 245 | 2 | 2 | 1 | 1.3 | O=C(Cc1c(Cl)cccc1Cl)N=C(N)N | 36101495 | ||
| 3658 | 4107 | 53 | None | -12 | 18 | Human | 7.2 | pIC50 | = | 7.2 | Functional | Guide to Pharmacology | 244 | 2 | 1 | 2 | 3.1 | Cc1cc(cc(c1CC1=NCCN1)C)C(C)(C)C | 36101495 | ||
| 517 | 4107 | 53 | None | -12 | 18 | Human | 7.2 | pIC50 | = | 7.2 | Functional | Guide to Pharmacology | 244 | 2 | 1 | 2 | 3.1 | Cc1cc(cc(c1CC1=NCCN1)C)C(C)(C)C | 36101495 | ||
| 5709 | 4107 | 53 | None | -12 | 18 | Human | 7.2 | pIC50 | = | 7.2 | Functional | Guide to Pharmacology | 244 | 2 | 1 | 2 | 3.1 | Cc1cc(cc(c1CC1=NCCN1)C)C(C)(C)C | 36101495 | ||
| CHEMBL312448 | 4107 | 53 | None | -12 | 18 | Human | 7.2 | pIC50 | = | 7.2 | Functional | Guide to Pharmacology | 244 | 2 | 1 | 2 | 3.1 | Cc1cc(cc(c1CC1=NCCN1)C)C(C)(C)C | 36101495 | ||
| DB06694 | 4107 | 53 | None | -12 | 18 | Human | 7.2 | pIC50 | = | 7.2 | Functional | Guide to Pharmacology | 244 | 2 | 1 | 2 | 3.1 | Cc1cc(cc(c1CC1=NCCN1)C)C(C)(C)C | 36101495 | ||
| 1960 | 2857 | 67 | None | -11 | 18 | Human | 7.6 | pIC50 | = | 7.6 | Functional | Guide to Pharmacology | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 25080296 | ||
| 1960 | 2857 | 67 | None | -11 | 18 | Human | 7.6 | pIC50 | = | 7.6 | Functional | Guide to Pharmacology | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 36101495 | ||
| 439260 | 2857 | 67 | None | -11 | 18 | Human | 7.6 | pIC50 | = | 7.6 | Functional | Guide to Pharmacology | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 25080296 | ||
| 439260 | 2857 | 67 | None | -11 | 18 | Human | 7.6 | pIC50 | = | 7.6 | Functional | Guide to Pharmacology | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 36101495 | ||
| 505 | 2857 | 67 | None | -11 | 18 | Human | 7.6 | pIC50 | = | 7.6 | Functional | Guide to Pharmacology | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 25080296 | ||
| 505 | 2857 | 67 | None | -11 | 18 | Human | 7.6 | pIC50 | = | 7.6 | Functional | Guide to Pharmacology | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 36101495 | ||
| CHEMBL1437 | 2857 | 67 | None | -11 | 18 | Human | 7.6 | pIC50 | = | 7.6 | Functional | Guide to Pharmacology | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 25080296 | ||
| CHEMBL1437 | 2857 | 67 | None | -11 | 18 | Human | 7.6 | pIC50 | = | 7.6 | Functional | Guide to Pharmacology | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 36101495 | ||
| DB00368 | 2857 | 67 | None | -11 | 18 | Human | 7.6 | pIC50 | = | 7.6 | Functional | Guide to Pharmacology | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 25080296 | ||
| DB00368 | 2857 | 67 | None | -11 | 18 | Human | 7.6 | pIC50 | = | 7.6 | Functional | Guide to Pharmacology | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 36101495 | ||
| 2803 | 955 | 58 | None | -15 | 14 | Human | 7.6 | pIC50 | = | 7.6 | Functional | Guide to Pharmacology | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | 25080296 | ||
| 2803 | 955 | 58 | None | -15 | 14 | Human | 7.6 | pIC50 | = | 7.6 | Functional | Guide to Pharmacology | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | 36101495 | ||
| 516 | 955 | 58 | None | -15 | 14 | Human | 7.6 | pIC50 | = | 7.6 | Functional | Guide to Pharmacology | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | 25080296 | ||
| 516 | 955 | 58 | None | -15 | 14 | Human | 7.6 | pIC50 | = | 7.6 | Functional | Guide to Pharmacology | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | 36101495 | ||
| 704 | 955 | 58 | None | -15 | 14 | Human | 7.6 | pIC50 | = | 7.6 | Functional | Guide to Pharmacology | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | 25080296 | ||
| 704 | 955 | 58 | None | -15 | 14 | Human | 7.6 | pIC50 | = | 7.6 | Functional | Guide to Pharmacology | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | 36101495 | ||
| CHEMBL134 | 955 | 58 | None | -15 | 14 | Human | 7.6 | pIC50 | = | 7.6 | Functional | Guide to Pharmacology | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | 25080296 | ||
| CHEMBL134 | 955 | 58 | None | -15 | 14 | Human | 7.6 | pIC50 | = | 7.6 | Functional | Guide to Pharmacology | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | 36101495 | ||
| DB00575 | 955 | 58 | None | -15 | 14 | Human | 7.6 | pIC50 | = | 7.6 | Functional | Guide to Pharmacology | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | 25080296 | ||
| DB00575 | 955 | 58 | None | -15 | 14 | Human | 7.6 | pIC50 | = | 7.6 | Functional | Guide to Pharmacology | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | 36101495 | ||
| 124 | 2981 | 47 | None | -144 | 24 | Human | 7.8 | pIC50 | = | 7.8 | Functional | Guide to Pharmacology | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | 25080296 | ||
| 124 | 2981 | 47 | None | -144 | 24 | Human | 7.8 | pIC50 | = | 7.8 | Functional | Guide to Pharmacology | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | 36101495 | ||
| 2032 | 2981 | 47 | None | -144 | 24 | Human | 7.8 | pIC50 | = | 7.8 | Functional | Guide to Pharmacology | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | 25080296 | ||
| 2032 | 2981 | 47 | None | -144 | 24 | Human | 7.8 | pIC50 | = | 7.8 | Functional | Guide to Pharmacology | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | 36101495 | ||
| 4636 | 2981 | 47 | None | -144 | 24 | Human | 7.8 | pIC50 | = | 7.8 | Functional | Guide to Pharmacology | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | 25080296 | ||
| 4636 | 2981 | 47 | None | -144 | 24 | Human | 7.8 | pIC50 | = | 7.8 | Functional | Guide to Pharmacology | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | 36101495 | ||
| CHEMBL762 | 2981 | 47 | None | -144 | 24 | Human | 7.8 | pIC50 | = | 7.8 | Functional | Guide to Pharmacology | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | 25080296 | ||
| CHEMBL762 | 2981 | 47 | None | -144 | 24 | Human | 7.8 | pIC50 | = | 7.8 | Functional | Guide to Pharmacology | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | 36101495 | ||
| DB00935 | 2981 | 47 | None | -144 | 24 | Human | 7.8 | pIC50 | = | 7.8 | Functional | Guide to Pharmacology | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | 25080296 | ||
| DB00935 | 2981 | 47 | None | -144 | 24 | Human | 7.8 | pIC50 | = | 7.8 | Functional | Guide to Pharmacology | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | 36101495 | ||
| 2435 | 722 | 100 | None | -7 | 10 | Human | 8.3 | pIC50 | = | 8.3 | Functional | Guide to Pharmacology | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | 25080296 | ||
| 2435 | 722 | 100 | None | -7 | 10 | Human | 8.3 | pIC50 | = | 8.3 | Functional | Guide to Pharmacology | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | 36101495 | ||
| 395 | 722 | 100 | None | -7 | 10 | Human | 8.3 | pIC50 | = | 8.3 | Functional | Guide to Pharmacology | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | 25080296 | ||
| 395 | 722 | 100 | None | -7 | 10 | Human | 8.3 | pIC50 | = | 8.3 | Functional | Guide to Pharmacology | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | 36101495 | ||
| 520 | 722 | 100 | None | -7 | 10 | Human | 8.3 | pIC50 | = | 8.3 | Functional | Guide to Pharmacology | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | 25080296 | ||
| 520 | 722 | 100 | None | -7 | 10 | Human | 8.3 | pIC50 | = | 8.3 | Functional | Guide to Pharmacology | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | 36101495 | ||
| 5386 | 722 | 100 | None | -7 | 10 | Human | 8.3 | pIC50 | = | 8.3 | Functional | Guide to Pharmacology | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | 25080296 | ||
| 5386 | 722 | 100 | None | -7 | 10 | Human | 8.3 | pIC50 | = | 8.3 | Functional | Guide to Pharmacology | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | 36101495 | ||
| CHEMBL844 | 722 | 100 | None | -7 | 10 | Human | 8.3 | pIC50 | = | 8.3 | Functional | Guide to Pharmacology | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | 25080296 | ||
| CHEMBL844 | 722 | 100 | None | -7 | 10 | Human | 8.3 | pIC50 | = | 8.3 | Functional | Guide to Pharmacology | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | 36101495 | ||
| DB00484 | 722 | 100 | None | -7 | 10 | Human | 8.3 | pIC50 | = | 8.3 | Functional | Guide to Pharmacology | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | 25080296 | ||
| DB00484 | 722 | 100 | None | -7 | 10 | Human | 8.3 | pIC50 | = | 8.3 | Functional | Guide to Pharmacology | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | 36101495 | ||
| 521 | 1404 | 69 | None | -4 | 5 | Human | 9.2 | pIC50 | = | 9.2 | Functional | Guide to Pharmacology | 200 | 2 | 1 | 1 | 3.2 | Cc1cccc(c1C)[C@@H](c1c[nH]cn1)C | 36101495 | ||
| 5311068 | 1404 | 69 | None | -4 | 5 | Human | 9.2 | pIC50 | = | 9.2 | Functional | Guide to Pharmacology | 200 | 2 | 1 | 1 | 3.2 | Cc1cccc(c1C)[C@@H](c1c[nH]cn1)C | 36101495 | ||
| 835 | 1404 | 69 | None | -4 | 5 | Human | 9.2 | pIC50 | = | 9.2 | Functional | Guide to Pharmacology | 200 | 2 | 1 | 1 | 3.2 | Cc1cccc(c1C)[C@@H](c1c[nH]cn1)C | 36101495 | ||
| CHEMBL778 | 1404 | 69 | None | -4 | 5 | Human | 9.2 | pIC50 | = | 9.2 | Functional | Guide to Pharmacology | 200 | 2 | 1 | 1 | 3.2 | Cc1cccc(c1C)[C@@H](c1c[nH]cn1)C | 36101495 | ||
| DB00633 | 1404 | 69 | None | -4 | 5 | Human | 9.2 | pIC50 | = | 9.2 | Functional | Guide to Pharmacology | 200 | 2 | 1 | 1 | 3.2 | Cc1cccc(c1C)[C@@H](c1c[nH]cn1)C | 36101495 | ||
| 3930 | 2151 | 43 | None | - | 1 | Human | 7.4 | pKB | = | 7.4 | Functional | Guide to Pharmacology | 368 | 3 | 1 | 4 | 4.9 | CN1CCN(CC1)c1ccc(cc1)Nc1c2ccccc2nc2c1cccc2 | 17220913 | ||
| 3930 | 2151 | 43 | None | - | 1 | Human | 7.4 | pKB | = | 7.4 | Functional | Guide to Pharmacology | 368 | 3 | 1 | 4 | 4.9 | CN1CCN(CC1)c1ccc(cc1)Nc1c2ccccc2nc2c1cccc2 | 35224877 | ||
| 540335 | 2151 | 43 | None | - | 1 | Human | 7.4 | pKB | = | 7.4 | Functional | Guide to Pharmacology | 368 | 3 | 1 | 4 | 4.9 | CN1CCN(CC1)c1ccc(cc1)Nc1c2ccccc2nc2c1cccc2 | 17220913 | ||
| 540335 | 2151 | 43 | None | - | 1 | Human | 7.4 | pKB | = | 7.4 | Functional | Guide to Pharmacology | 368 | 3 | 1 | 4 | 4.9 | CN1CCN(CC1)c1ccc(cc1)Nc1c2ccccc2nc2c1cccc2 | 35224877 | ||
| CHEMBL106525 | 2151 | 43 | None | - | 1 | Human | 7.4 | pKB | = | 7.4 | Functional | Guide to Pharmacology | 368 | 3 | 1 | 4 | 4.9 | CN1CCN(CC1)c1ccc(cc1)Nc1c2ccccc2nc2c1cccc2 | 17220913 | ||
| CHEMBL106525 | 2151 | 43 | None | - | 1 | Human | 7.4 | pKB | = | 7.4 | Functional | Guide to Pharmacology | 368 | 3 | 1 | 4 | 4.9 | CN1CCN(CC1)c1ccc(cc1)Nc1c2ccccc2nc2c1cccc2 | 35224877 | ||
| 13130 | 2965 | 0 | None | - | 1 | Human | 9.8 | pKB | = | 9.8 | Functional | Guide to Pharmacology | 285 | 2 | 0 | 3 | 3.9 | [H][C@@]12N(CCC[C@@]1(C)OCC)CCC3=C2OC4=C3C=CC=C4 | 23718812 | ||
| 171037438 | 2965 | 0 | None | - | 1 | Human | 9.8 | pKB | = | 9.8 | Functional | Guide to Pharmacology | 285 | 2 | 0 | 3 | 3.9 | [H][C@@]12N(CCC[C@@]1(C)OCC)CCC3=C2OC4=C3C=CC=C4 | 23718812 | ||
| 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 |
| 57345628 | 71183 | 0 | None | -26 | 4 | Human | 8.7 | pEC50 | = | 8.7 | Binding | ChEMBL | 244 | 5 | 1 | 3 | 2.4 | CC(Oc1ccccc1CC1CC1)C1=NCCN1 | 10.1021/ml400232p | |||
| CHEMBL1956195 | 71183 | 0 | None | -26 | 4 | Human | 8.7 | pEC50 | = | 8.7 | Binding | ChEMBL | 244 | 5 | 1 | 3 | 2.4 | CC(Oc1ccccc1CC1CC1)C1=NCCN1 | 10.1021/ml400232p | |||
| 70695474 | 77672 | 0 | None | -47 | 4 | Human | 8.7 | pEC50 | = | 8.7 | Binding | ChEMBL | 244 | 5 | 1 | 3 | 2.4 | C[C@H](Oc1ccccc1CC1CC1)C1=NCCN1 | 10.1021/ml400232p | |||
| CHEMBL2089156 | 77672 | 0 | None | -47 | 4 | Human | 8.7 | pEC50 | = | 8.7 | Binding | ChEMBL | 244 | 5 | 1 | 3 | 2.4 | C[C@H](Oc1ccccc1CC1CC1)C1=NCCN1 | 10.1021/ml400232p | |||
| 57345626 | 71180 | 2 | None | -12 | 4 | Human | 8.0 | pEC50 | = | 8 | Binding | ChEMBL | 268 | 3 | 1 | 3 | 2.2 | CC(Oc1ccccc1Br)C1=NCCN1 | 10.1021/ml400232p | |||
| CHEMBL1956192 | 71180 | 2 | None | -12 | 4 | Human | 8.0 | pEC50 | = | 8 | Binding | ChEMBL | 268 | 3 | 1 | 3 | 2.2 | CC(Oc1ccccc1Br)C1=NCCN1 | 10.1021/ml400232p | |||
| 72947315 | 92489 | 0 | None | -10 | 4 | Human | 6.0 | pEC50 | = | 6 | Binding | ChEMBL | 232 | 5 | 1 | 4 | 1.6 | c1ccc(OC2CC2)c(OCC2=NCCN2)c1 | 10.1021/ml400232p | |||
| CHEMBL2431280 | 92489 | 0 | None | -10 | 4 | Human | 6.0 | pEC50 | = | 6 | Binding | ChEMBL | 232 | 5 | 1 | 4 | 1.6 | c1ccc(OC2CC2)c(OCC2=NCCN2)c1 | 10.1021/ml400232p | |||
| 134137108 | 142727 | 0 | None | - | 0 | Human | 6.9 | pEC50 | = | 6.9 | Binding | ChEMBL | 217 | 5 | 2 | 3 | 2.1 | CCCc1ccccc1NCC1=NCCN1 | 10.1021/acsmedchemlett.6b00290 | |||
| CHEMBL3892351 | 142727 | 0 | None | - | 0 | Human | 6.9 | pEC50 | = | 6.9 | Binding | ChEMBL | 217 | 5 | 2 | 3 | 2.1 | CCCc1ccccc1NCC1=NCCN1 | 10.1021/acsmedchemlett.6b00290 | |||
| 49836304 | 18571 | 1 | None | -2 | 3 | Human | 6.9 | pEC50 | = | 6.9 | Binding | ChEMBL | 230 | 4 | 1 | 3 | 2.3 | C[C@@H](Oc1ccccc1C1CC1)C1=NCCN1 | 10.1021/ml400232p | |||
| CHEMBL1276219 | 18571 | 1 | None | -2 | 3 | Human | 6.9 | pEC50 | = | 6.9 | Binding | ChEMBL | 230 | 4 | 1 | 3 | 2.3 | C[C@@H](Oc1ccccc1C1CC1)C1=NCCN1 | 10.1021/ml400232p | |||
| 44352155 | 116808 | 0 | None | - | 0 | Human | 6.8 | pEC50 | = | 6.8 | Binding | ChEMBL | 251 | 4 | 2 | 3 | 2.8 | c1ccc(-c2ccccc2NCC2=NCCN2)cc1 | 10.1021/acsmedchemlett.6b00290 | |||
| CHEMBL337862 | 116808 | 0 | None | - | 0 | Human | 6.8 | pEC50 | = | 6.8 | Binding | ChEMBL | 251 | 4 | 2 | 3 | 2.8 | c1ccc(-c2ccccc2NCC2=NCCN2)cc1 | 10.1021/acsmedchemlett.6b00290 | |||
| 44269013 | 30342 | 1 | None | -10 | 4 | Human | 6.8 | pEC50 | = | 6.8 | Binding | ChEMBL | 218 | 5 | 1 | 3 | 2.0 | CCCc1ccccc1OCC1=NCCN1 | 10.1021/ml400232p | |||
| CHEMBL13917 | 30342 | 1 | None | -10 | 4 | Human | 6.8 | pEC50 | = | 6.8 | Binding | ChEMBL | 218 | 5 | 1 | 3 | 2.0 | CCCc1ccccc1OCC1=NCCN1 | 10.1021/ml400232p | |||
| 134156190 | 151365 | 0 | None | - | 0 | Human | 6.8 | pEC50 | = | 6.8 | Binding | ChEMBL | 215 | 5 | 2 | 3 | 1.8 | C=CCc1ccccc1NCC1=NCCN1 | 10.1021/acsmedchemlett.6b00290 | |||
| CHEMBL3961335 | 151365 | 0 | None | - | 0 | Human | 6.8 | pEC50 | = | 6.8 | Binding | ChEMBL | 215 | 5 | 2 | 3 | 1.8 | C=CCc1ccccc1NCC1=NCCN1 | 10.1021/acsmedchemlett.6b00290 | |||
| 49836302 | 18566 | 1 | None | -1 | 3 | Human | 6.7 | pEC50 | = | 6.7 | Binding | ChEMBL | 230 | 5 | 1 | 3 | 2.2 | C=CCc1ccccc1O[C@H](C)C1=NCCN1 | 10.1021/ml400232p | |||
| CHEMBL1276139 | 18566 | 1 | None | -1 | 3 | Human | 6.7 | pEC50 | = | 6.7 | Binding | ChEMBL | 230 | 5 | 1 | 3 | 2.2 | C=CCc1ccccc1O[C@H](C)C1=NCCN1 | 10.1021/ml400232p | |||
| 129928082 | 144194 | 1 | None | - | 0 | Human | 7.7 | pEC50 | = | 7.7 | Binding | ChEMBL | 189 | 3 | 2 | 3 | 1.4 | Cc1ccccc1NCC1=NCCN1 | 10.1021/acsmedchemlett.6b00290 | |||
| CHEMBL3904276 | 144194 | 1 | None | - | 0 | Human | 7.7 | pEC50 | = | 7.7 | Binding | ChEMBL | 189 | 3 | 2 | 3 | 1.4 | Cc1ccccc1NCC1=NCCN1 | 10.1021/acsmedchemlett.6b00290 | |||
| 13123534 | 189453 | 1 | None | - | 1 | Human | 6.7 | pEC50 | = | 6.7 | Binding | ChEMBL | 209 | 3 | 2 | 3 | 1.8 | Clc1ccccc1NCC1=NCCN1 | 10.1021/acsmedchemlett.6b00290 | |||
| CHEMBL51358 | 189453 | 1 | None | - | 1 | Human | 6.7 | pEC50 | = | 6.7 | Binding | ChEMBL | 209 | 3 | 2 | 3 | 1.8 | Clc1ccccc1NCC1=NCCN1 | 10.1021/acsmedchemlett.6b00290 | |||
| 72947314 | 92490 | 0 | None | -8 | 4 | Human | 6.6 | pEC50 | = | 6.6 | Binding | ChEMBL | 230 | 5 | 1 | 3 | 2.0 | c1ccc(OCC2=NCCN2)c(CC2CC2)c1 | 10.1021/ml400232p | |||
| CHEMBL2431281 | 92490 | 0 | None | -8 | 4 | Human | 6.6 | pEC50 | = | 6.6 | Binding | ChEMBL | 230 | 5 | 1 | 3 | 2.0 | c1ccc(OCC2=NCCN2)c(CC2CC2)c1 | 10.1021/ml400232p | |||
| 49836301 | 18567 | 1 | None | -1 | 4 | Human | 7.6 | pEC50 | = | 7.6 | Binding | ChEMBL | 230 | 5 | 1 | 3 | 2.2 | C=CCc1ccccc1O[C@@H](C)C1=NCCN1 | 10.1021/ml400232p | |||
| CHEMBL1276140 | 18567 | 1 | None | -1 | 4 | Human | 7.6 | pEC50 | = | 7.6 | Binding | ChEMBL | 230 | 5 | 1 | 3 | 2.2 | C=CCc1ccccc1O[C@@H](C)C1=NCCN1 | 10.1021/ml400232p | |||
| 73291731 | 92491 | 0 | None | -10 | 4 | Human | 7.6 | pEC50 | = | 7.6 | Binding | ChEMBL | 232 | 5 | 1 | 3 | 2.4 | CCCc1ccccc1OC(C)C1=NCCN1 | 10.1021/ml400232p | |||
| CHEMBL2431282 | 92491 | 0 | None | -10 | 4 | Human | 7.6 | pEC50 | = | 7.6 | Binding | ChEMBL | 232 | 5 | 1 | 3 | 2.4 | CCCc1ccccc1OC(C)C1=NCCN1 | 10.1021/ml400232p | |||
| 70693375 | 77671 | 0 | None | -5 | 4 | Human | 6.5 | pEC50 | = | 6.5 | Binding | ChEMBL | 244 | 5 | 1 | 3 | 2.4 | C[C@@H](Oc1ccccc1CC1CC1)C1=NCCN1 | 10.1021/ml400232p | |||
| CHEMBL2089155 | 77671 | 0 | None | -5 | 4 | Human | 6.5 | pEC50 | = | 6.5 | Binding | ChEMBL | 244 | 5 | 1 | 3 | 2.4 | C[C@@H](Oc1ccccc1CC1CC1)C1=NCCN1 | 10.1021/ml400232p | |||
| 49836303 | 18572 | 1 | None | -10 | 4 | Human | 7.5 | pEC50 | = | 7.5 | Binding | ChEMBL | 230 | 4 | 1 | 3 | 2.3 | C[C@H](Oc1ccccc1C1CC1)C1=NCCN1 | 10.1021/ml400232p | |||
| CHEMBL1276220 | 18572 | 1 | None | -10 | 4 | Human | 7.5 | pEC50 | = | 7.5 | Binding | ChEMBL | 230 | 4 | 1 | 3 | 2.3 | C[C@H](Oc1ccccc1C1CC1)C1=NCCN1 | 10.1021/ml400232p | |||
| 44549156 | 18570 | 0 | None | -10 | 4 | Human | 7.4 | pEC50 | = | 7.4 | Binding | ChEMBL | 230 | 4 | 1 | 3 | 2.3 | CC(Oc1ccccc1C1CC1)C1=NCCN1 | 10.1021/ml400232p | |||
| CHEMBL1276218 | 18570 | 0 | None | -10 | 4 | Human | 7.4 | pEC50 | = | 7.4 | Binding | ChEMBL | 230 | 4 | 1 | 3 | 2.3 | CC(Oc1ccccc1C1CC1)C1=NCCN1 | 10.1021/ml400232p | |||
| 2765 | 943 | 19 | None | -15 | 9 | Human | 6.4 | pEC50 | = | 6.4 | Binding | ChEMBL | 216 | 4 | 1 | 3 | 1.9 | C1CN=C(N1)COc1ccccc1C1CC1 | 10.1021/ml400232p | |||
| 515 | 943 | 19 | None | -15 | 9 | Human | 6.4 | pEC50 | = | 6.4 | Binding | ChEMBL | 216 | 4 | 1 | 3 | 1.9 | C1CN=C(N1)COc1ccccc1C1CC1 | 10.1021/ml400232p | |||
| CHEMBL13852 | 943 | 19 | None | -15 | 9 | Human | 6.4 | pEC50 | = | 6.4 | Binding | ChEMBL | 216 | 4 | 1 | 3 | 1.9 | C1CN=C(N1)COc1ccccc1C1CC1 | 10.1021/ml400232p | |||
| DB09202 | 943 | 19 | None | -15 | 9 | Human | 6.4 | pEC50 | = | 6.4 | Binding | ChEMBL | 216 | 4 | 1 | 3 | 1.9 | C1CN=C(N1)COc1ccccc1C1CC1 | 10.1021/ml400232p | |||
| 57345629 | 71185 | 0 | None | -45 | 4 | Human | 7.3 | pEC50 | = | 7.3 | Binding | ChEMBL | 246 | 5 | 1 | 4 | 2.0 | CC(Oc1ccccc1OC1CC1)C1=NCCN1 | 10.1021/ml400232p | |||
| CHEMBL1956197 | 71185 | 0 | None | -45 | 4 | Human | 7.3 | pEC50 | = | 7.3 | Binding | ChEMBL | 246 | 5 | 1 | 4 | 2.0 | CC(Oc1ccccc1OC1CC1)C1=NCCN1 | 10.1021/ml400232p | |||
| 24906198 | 187664 | 3 | None | -3 | 4 | Human | 7.3 | pEC50 | = | 7.3 | Binding | ChEMBL | 230 | 5 | 1 | 3 | 2.2 | C=CCc1ccccc1OC(C)C1=NCCN1 | 10.1021/ml400232p | |||
| CHEMBL495095 | 187664 | 3 | None | -3 | 4 | Human | 7.3 | pEC50 | = | 7.3 | Binding | ChEMBL | 230 | 5 | 1 | 3 | 2.2 | C=CCc1ccccc1OC(C)C1=NCCN1 | 10.1021/ml400232p | |||
| 44269006 | 32353 | 1 | None | -1 | 4 | Human | 7.2 | pEC50 | = | 7.2 | Binding | ChEMBL | 216 | 5 | 1 | 3 | 1.8 | C=CCc1ccccc1OCC1=NCCN1 | 10.1021/ml400232p | |||
| CHEMBL14107 | 32353 | 1 | None | -1 | 4 | Human | 7.2 | pEC50 | = | 7.2 | Binding | ChEMBL | 216 | 5 | 1 | 3 | 1.8 | C=CCc1ccccc1OCC1=NCCN1 | 10.1021/ml400232p | |||
| 28918670 | 92487 | 2 | None | -4 | 4 | Human | 7.0 | pEC50 | = | 7.0 | Binding | ChEMBL | 254 | 3 | 1 | 3 | 1.8 | Brc1ccccc1OCC1=NCCN1 | 10.1021/ml400232p | |||
| CHEMBL2431279 | 92487 | 2 | None | -4 | 4 | Human | 7.0 | pEC50 | = | 7.0 | Binding | ChEMBL | 254 | 3 | 1 | 3 | 1.8 | Brc1ccccc1OCC1=NCCN1 | 10.1021/ml400232p | |||
| 44376984 | 56223 | 0 | None | - | 0 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 485 | 3 | 0 | 5 | 4.0 | Cc1nc2ccc(I)cn2c(=O)c1CCN1CCc2oc3ccccc3c2C1 | 10.1016/s0960-894x(99)00591-0 | |||
| CHEMBL162682 | 56223 | 0 | None | - | 0 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 485 | 3 | 0 | 5 | 4.0 | Cc1nc2ccc(I)cn2c(=O)c1CCN1CCc2oc3ccccc3c2C1 | 10.1016/s0960-894x(99)00591-0 | |||
| 44377200 | 57420 | 1 | None | - | 0 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 437 | 3 | 0 | 5 | 4.1 | Cc1nc2ccc(Br)cn2c(=O)c1CCN1CCc2oc3ccccc3c2C1 | 10.1016/s0960-894x(99)00591-0 | |||
| CHEMBL165350 | 57420 | 1 | None | - | 0 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 437 | 3 | 0 | 5 | 4.1 | Cc1nc2ccc(Br)cn2c(=O)c1CCN1CCc2oc3ccccc3c2C1 | 10.1016/s0960-894x(99)00591-0 | |||
| 22120332 | 56045 | 0 | None | - | 0 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 389 | 4 | 0 | 6 | 3.4 | COc1cccn2c(=O)c(CCN3CCc4oc5ccccc5c4C3)c(C)nc12 | 10.1016/s0960-894x(99)00591-0 | |||
| CHEMBL162490 | 56045 | 0 | None | - | 0 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 389 | 4 | 0 | 6 | 3.4 | COc1cccn2c(=O)c(CCN3CCc4oc5ccccc5c4C3)c(C)nc12 | 10.1016/s0960-894x(99)00591-0 | |||
| 44377036 | 120156 | 0 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 393 | 3 | 0 | 5 | 4.0 | Cc1nc2ccc(Cl)cn2c(=O)c1CCN1CCc2oc3ccccc3c2C1 | 10.1016/s0960-894x(99)00591-0 | |||
| CHEMBL351483 | 120156 | 0 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 393 | 3 | 0 | 5 | 4.0 | Cc1nc2ccc(Cl)cn2c(=O)c1CCN1CCc2oc3ccccc3c2C1 | 10.1016/s0960-894x(99)00591-0 | |||
| 44376954 | 55740 | 0 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 387 | 3 | 0 | 5 | 4.0 | Cc1cc(C)n2c(=O)c(CCN3CCc4oc5ccccc5c4C3)c(C)nc2c1 | 10.1016/s0960-894x(99)00591-0 | |||
| CHEMBL162232 | 55740 | 0 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 387 | 3 | 0 | 5 | 4.0 | Cc1cc(C)n2c(=O)c(CCN3CCc4oc5ccccc5c4C3)c(C)nc2c1 | 10.1016/s0960-894x(99)00591-0 | |||
| 44376923 | 56427 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | 373 | 3 | 0 | 5 | 3.7 | Cc1nc2cccc(C)n2c(=O)c1CCN1CCc2oc3ccccc3c2C1 | 10.1016/s0960-894x(99)00591-0 | |||
| CHEMBL163190 | 56427 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | 373 | 3 | 0 | 5 | 3.7 | Cc1nc2cccc(C)n2c(=O)c1CCN1CCc2oc3ccccc3c2C1 | 10.1016/s0960-894x(99)00591-0 | |||
| 44376958 | 57479 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 373 | 3 | 0 | 5 | 3.7 | Cc1ccn2c(=O)c(CCN3CCc4oc5ccccc5c4C3)c(C)nc2c1 | 10.1016/s0960-894x(99)00591-0 | |||
| CHEMBL165796 | 57479 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 373 | 3 | 0 | 5 | 3.7 | Cc1ccn2c(=O)c(CCN3CCc4oc5ccccc5c4C3)c(C)nc2c1 | 10.1016/s0960-894x(99)00591-0 | |||
| 22120322 | 55921 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 373 | 3 | 0 | 5 | 3.7 | Cc1ccc2nc(C)c(CCN3CCc4oc5ccccc5c4C3)c(=O)n2c1 | 10.1016/s0960-894x(99)00591-0 | |||
| CHEMBL162370 | 55921 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 373 | 3 | 0 | 5 | 3.7 | Cc1ccc2nc(C)c(CCN3CCc4oc5ccccc5c4C3)c(=O)n2c1 | 10.1016/s0960-894x(99)00591-0 | |||
| 44377035 | 120130 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 373 | 3 | 0 | 5 | 3.7 | Cc1nc2c(C)cccn2c(=O)c1CCN1CCc2oc3ccccc3c2C1 | 10.1016/s0960-894x(99)00591-0 | |||
| CHEMBL351200 | 120130 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 373 | 3 | 0 | 5 | 3.7 | Cc1nc2c(C)cccn2c(=O)c1CCN1CCc2oc3ccccc3c2C1 | 10.1016/s0960-894x(99)00591-0 | |||
| 44376993 | 56484 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 427 | 3 | 0 | 5 | 4.7 | Cc1nc2c(Cl)cc(Cl)cn2c(=O)c1CCN1CCc2oc3ccccc3c2C1 | 10.1016/s0960-894x(99)00591-0 | |||
| CHEMBL163247 | 56484 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 427 | 3 | 0 | 5 | 4.7 | Cc1nc2c(Cl)cc(Cl)cn2c(=O)c1CCN1CCc2oc3ccccc3c2C1 | 10.1016/s0960-894x(99)00591-0 | |||
| 44376900 | 56268 | 0 | None | - | 0 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 375 | 3 | 1 | 6 | 3.1 | Cc1nc2c(O)cccn2c(=O)c1CCN1CCc2oc3ccccc3c2C1 | 10.1016/s0960-894x(99)00591-0 | |||
| CHEMBL162826 | 56268 | 0 | None | - | 0 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 375 | 3 | 1 | 6 | 3.1 | Cc1nc2c(O)cccn2c(=O)c1CCN1CCc2oc3ccccc3c2C1 | 10.1016/s0960-894x(99)00591-0 | |||
| 3045401 | 56059 | 32 | None | - | 0 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 359 | 3 | 0 | 5 | 3.4 | Cc1nc2ccccn2c(=O)c1CCN1CCc2oc3ccccc3c2C1 | 10.1016/s0960-894x(99)00591-0 | |||
| CHEMBL162501 | 56059 | 32 | None | - | 0 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 359 | 3 | 0 | 5 | 3.4 | Cc1nc2ccccn2c(=O)c1CCN1CCc2oc3ccccc3c2C1 | 10.1016/s0960-894x(99)00591-0 | |||
| 10531 | 1420 | 21 | None | -9 | 23 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 583 | 4 | 3 | 6 | 2.1 | CN1C[C@@H](C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3)C(=O)N[C@]1(C)O[C@@]2(N(C1=O)[C@@H](Cc1ccccc1)C(=O)N1[C@H]2CCC1)O | nan | |||
| 121 | 1420 | 21 | None | -9 | 23 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 583 | 4 | 3 | 6 | 2.1 | CN1C[C@@H](C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3)C(=O)N[C@]1(C)O[C@@]2(N(C1=O)[C@@H](Cc1ccccc1)C(=O)N1[C@H]2CCC1)O | nan | |||
| 888 | 1420 | 21 | None | -9 | 23 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 583 | 4 | 3 | 6 | 2.1 | CN1C[C@@H](C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3)C(=O)N[C@]1(C)O[C@@]2(N(C1=O)[C@@H](Cc1ccccc1)C(=O)N1[C@H]2CCC1)O | nan | |||
| CHEMBL1732 | 1420 | 21 | None | -9 | 23 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 583 | 4 | 3 | 6 | 2.1 | CN1C[C@@H](C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3)C(=O)N[C@]1(C)O[C@@]2(N(C1=O)[C@@H](Cc1ccccc1)C(=O)N1[C@H]2CCC1)O | nan | |||
| DB00320 | 1420 | 21 | None | -9 | 23 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 583 | 4 | 3 | 6 | 2.1 | CN1C[C@@H](C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3)C(=O)N[C@]1(C)O[C@@]2(N(C1=O)[C@@H](Cc1ccccc1)C(=O)N1[C@H]2CCC1)O | nan | |||
| 3151 | 1462 | 97 | None | -40 | 27 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 425 | 5 | 2 | 5 | 3.4 | Clc1ccc2c(c1)[nH]c(=O)n2C1CCN(CC1)CCCn1c(=O)[nH]c2c1cccc2 | nan | |||
| 945 | 1462 | 97 | None | -40 | 27 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 425 | 5 | 2 | 5 | 3.4 | Clc1ccc2c(c1)[nH]c(=O)n2C1CCN(CC1)CCCn1c(=O)[nH]c2c1cccc2 | nan | |||
| 965 | 1462 | 97 | None | -40 | 27 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 425 | 5 | 2 | 5 | 3.4 | Clc1ccc2c(c1)[nH]c(=O)n2C1CCN(CC1)CCCn1c(=O)[nH]c2c1cccc2 | nan | |||
| CHEMBL219916 | 1462 | 97 | None | -40 | 27 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 425 | 5 | 2 | 5 | 3.4 | Clc1ccc2c(c1)[nH]c(=O)n2C1CCN(CC1)CCCn1c(=O)[nH]c2c1cccc2 | nan | |||
| DB01184 | 1462 | 97 | None | -40 | 27 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 425 | 5 | 2 | 5 | 3.4 | Clc1ccc2c(c1)[nH]c(=O)n2C1CCN(CC1)CCCn1c(=O)[nH]c2c1cccc2 | nan | |||
| 3158 | 56267 | 27 | None | -1047 | 20 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 279 | 3 | 0 | 2 | 4.0 | CN(C)CCC=C1c2ccccc2COc2ccccc21 | nan | |||
| CHEMBL1628227 | 56267 | 27 | None | -1047 | 20 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 279 | 3 | 0 | 2 | 4.0 | CN(C)CCC=C1c2ccccc2COc2ccccc21 | nan | |||
| 16220269 | 189660 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 361 | 3 | 1 | 2 | 4.4 | CC[C@@H]1O[C@](/C=C/C2CC2)(C(F)(F)F)c2c(ccc(F)c2F)NC1=O | 10.1073/pnas.0605125104 | |||
| CHEMBL515170 | 189660 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 361 | 3 | 1 | 2 | 4.4 | CC[C@@H]1O[C@](/C=C/C2CC2)(C(F)(F)F)c2c(ccc(F)c2F)NC1=O | 10.1073/pnas.0605125104 | |||
| 2142 | 3096 | 58 | None | -7 | 36 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | nan | |||
| 4920903 | 3096 | 58 | None | -7 | 36 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | nan | |||
| 502 | 3096 | 58 | None | -7 | 36 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | nan | |||
| 5775 | 3096 | 58 | None | -7 | 36 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | nan | |||
| CHEMBL597 | 3096 | 58 | None | -7 | 36 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | nan | |||
| DB00692 | 3096 | 58 | None | -7 | 36 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | nan | |||
| 25014630 | 83539 | 1 | None | - | 0 | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 326 | 3 | 3 | 4 | 3.3 | N=C(Nc1ccc2c(c1)CCN2C1CCNCC1)c1cccs1 | 10.1016/j.ejmech.2012.07.006 | |||
| CHEMBL2203713 | 83539 | 1 | None | - | 0 | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 326 | 3 | 3 | 4 | 3.3 | N=C(Nc1ccc2c(c1)CCN2C1CCNCC1)c1cccs1 | 10.1016/j.ejmech.2012.07.006 | |||
| 3952 | 1888 | 38 | None | -19 | 12 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 230 | 2 | 2 | 2 | 1.6 | NC(=N/N=C\c1c(Cl)cccc1Cl)N | nan | |||
| 5353646 | 1888 | 38 | None | -19 | 12 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 230 | 2 | 2 | 2 | 1.6 | NC(=N/N=C\c1c(Cl)cccc1Cl)N | nan | |||
| 5443 | 1888 | 38 | None | -19 | 12 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 230 | 2 | 2 | 2 | 1.6 | NC(=N/N=C\c1c(Cl)cccc1Cl)N | nan | |||
| 5702063 | 1888 | 38 | None | -19 | 12 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 230 | 2 | 2 | 2 | 1.6 | NC(=N/N=C\c1c(Cl)cccc1Cl)N | nan | |||
| CHEMBL1331786 | 1888 | 38 | None | -19 | 12 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 230 | 2 | 2 | 2 | 1.6 | NC(=N/N=C\c1c(Cl)cccc1Cl)N | nan | |||
| CHEMBL420 | 1888 | 38 | None | -19 | 12 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 230 | 2 | 2 | 2 | 1.6 | NC(=N/N=C\c1c(Cl)cccc1Cl)N | nan | |||
| 44318454 | 206009 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 312 | 2 | 0 | 3 | 3.5 | CN(C)CC1CC2c3ccccc3Cc3ccc(F)cc3N2O1 | 10.1016/s0960-894x(01)00721-1 | |||
| CHEMBL84931 | 206009 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 312 | 2 | 0 | 3 | 3.5 | CN(C)CC1CC2c3ccccc3Cc3ccc(F)cc3N2O1 | 10.1016/s0960-894x(01)00721-1 | |||
| 5472 | 205818 | 75 | None | -1 | 3 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 263 | 2 | 0 | 2 | 4.0 | Clc1ccccc1CN1CCc2sccc2C1 | nan | |||
| CHEMBL1717 | 205818 | 75 | None | -1 | 3 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 263 | 2 | 0 | 2 | 4.0 | Clc1ccccc1CN1CCc2sccc2C1 | nan | |||
| CHEMBL833 | 205818 | 75 | None | -1 | 3 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 263 | 2 | 0 | 2 | 4.0 | Clc1ccccc1CN1CCc2sccc2C1 | nan | |||
| 1043 | 1582 | 14 | None | -19 | 28 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 581 | 4 | 3 | 6 | 2.0 | O=C([C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)N[C@]1(C)O[C@@]2(N(C1=O)[C@@H](Cc1ccccc1)C(=O)N1[C@H]2CCC1)O | nan | |||
| 149 | 1582 | 14 | None | -19 | 28 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 581 | 4 | 3 | 6 | 2.0 | O=C([C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)N[C@]1(C)O[C@@]2(N(C1=O)[C@@H](Cc1ccccc1)C(=O)N1[C@H]2CCC1)O | nan | |||
| 8223 | 1582 | 14 | None | -19 | 28 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 581 | 4 | 3 | 6 | 2.0 | O=C([C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)N[C@]1(C)O[C@@]2(N(C1=O)[C@@H](Cc1ccccc1)C(=O)N1[C@H]2CCC1)O | nan | |||
| CHEMBL442 | 1582 | 14 | None | -19 | 28 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 581 | 4 | 3 | 6 | 2.0 | O=C([C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)N[C@]1(C)O[C@@]2(N(C1=O)[C@@H](Cc1ccccc1)C(=O)N1[C@H]2CCC1)O | nan | |||
| DB00696 | 1582 | 14 | None | -19 | 28 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 581 | 4 | 3 | 6 | 2.0 | O=C([C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)N[C@]1(C)O[C@@]2(N(C1=O)[C@@H](Cc1ccccc1)C(=O)N1[C@H]2CCC1)O | nan | |||
| 277 | 1301 | 62 | None | -42 | 50 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 287 | 0 | 0 | 1 | 4.7 | CN1CCC(=C2c3ccccc3C=Cc3c2cccc3)CC1 | nan | |||
| 2913 | 1301 | 62 | None | -42 | 50 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 287 | 0 | 0 | 1 | 4.7 | CN1CCC(=C2c3ccccc3C=Cc3c2cccc3)CC1 | nan | |||
| 765 | 1301 | 62 | None | -42 | 50 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 287 | 0 | 0 | 1 | 4.7 | CN1CCC(=C2c3ccccc3C=Cc3c2cccc3)CC1 | nan | |||
| CHEMBL516 | 1301 | 62 | None | -42 | 50 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 287 | 0 | 0 | 1 | 4.7 | CN1CCC(=C2c3ccccc3C=Cc3c2cccc3)CC1 | nan | |||
| DB00434 | 1301 | 62 | None | -42 | 50 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 287 | 0 | 0 | 1 | 4.7 | CN1CCC(=C2c3ccccc3C=Cc3c2cccc3)CC1 | nan | |||
| CHEMBL5070958 | 214249 | 3 | None | - | 0 | Human | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | None | None | None | NCCCCN(C[C@H]1Cc2ncccc2CN1)[C@H]1CCCc2cccnc21 | 10.1021/acs.jmedchem.1c01564 | |||||
| 9951544 | 57376 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 375 | 3 | 0 | 5 | 3.8 | Cc1nc2ccccn2c(=O)c1CCN1CCc2sc3ccccc3c2C1 | 10.1016/s0960-894x(99)00591-0 | |||
| CHEMBL165181 | 57376 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 375 | 3 | 0 | 5 | 3.8 | Cc1nc2ccccn2c(=O)c1CCN1CCc2sc3ccccc3c2C1 | 10.1016/s0960-894x(99)00591-0 | |||
| 123132228 | 156306 | 53 | None | - | 0 | Human | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 369 | 5 | 1 | 8 | 2.4 | CS(=O)(=O)c1ccc(-c2cnc(NCc3ccco3)n3cnnc23)cc1 | 10.1021/acs.jmedchem.1c02148 | |||
| CHEMBL4065484 | 156306 | 53 | None | - | 0 | Human | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 369 | 5 | 1 | 8 | 2.4 | CS(=O)(=O)c1ccc(-c2cnc(NCc3ccco3)n3cnnc23)cc1 | 10.1021/acs.jmedchem.1c02148 | |||
| 10331436 | 324 | 10 | None | - | 6 | Human | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 230 | 2 | 2 | 2 | 2.4 | C[C@@H](Cc1c[nH]c2c1c1CCCOc1cc2)N | 10.1021/jm030205t | |||
| 160 | 324 | 10 | None | - | 6 | Human | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 230 | 2 | 2 | 2 | 2.4 | C[C@@H](Cc1c[nH]c2c1c1CCCOc1cc2)N | 10.1021/jm030205t | |||
| CHEMBL133455 | 324 | 10 | None | - | 6 | Human | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 230 | 2 | 2 | 2 | 2.4 | C[C@@H](Cc1c[nH]c2c1c1CCCOc1cc2)N | 10.1021/jm030205t | |||
| 2105 | 3054 | 37 | None | -81 | 33 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 314 | 4 | 1 | 2 | 4.3 | CCCN1C[C@H](CSC)C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3 | nan | |||
| 47811 | 3054 | 37 | None | -81 | 33 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 314 | 4 | 1 | 2 | 4.3 | CCCN1C[C@H](CSC)C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3 | nan | |||
| 48 | 3054 | 37 | None | -81 | 33 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 314 | 4 | 1 | 2 | 4.3 | CCCN1C[C@H](CSC)C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3 | nan | |||
| CHEMBL531 | 3054 | 37 | None | -81 | 33 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 314 | 4 | 1 | 2 | 4.3 | CCCN1C[C@H](CSC)C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3 | nan | |||
| DB01186 | 3054 | 37 | None | -81 | 33 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 314 | 4 | 1 | 2 | 4.3 | CCCN1C[C@H](CSC)C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3 | nan | |||
| 2398 | 954 | 62 | None | -4 | 29 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 314 | 4 | 0 | 2 | 4.5 | CN(CCCN1c2ccccc2CCc2c1cc(Cl)cc2)C | nan | |||
| 2801 | 954 | 62 | None | -4 | 29 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 314 | 4 | 0 | 2 | 4.5 | CN(CCCN1c2ccccc2CCc2c1cc(Cl)cc2)C | nan | |||
| 701 | 954 | 62 | None | -4 | 29 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 314 | 4 | 0 | 2 | 4.5 | CN(CCCN1c2ccccc2CCc2c1cc(Cl)cc2)C | nan | |||
| CHEMBL415 | 954 | 62 | None | -4 | 29 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 314 | 4 | 0 | 2 | 4.5 | CN(CCCN1c2ccccc2CCc2c1cc(Cl)cc2)C | nan | |||
| DB01242 | 954 | 62 | None | -4 | 29 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 314 | 4 | 0 | 2 | 4.5 | CN(CCCN1c2ccccc2CCc2c1cc(Cl)cc2)C | nan | |||
| 15730 | 71118 | 80 | None | 1 | 10 | Human | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 206 | 7 | 1 | 1 | 4.3 | CCCCCCCCc1ccc(O)cc1 | nan | |||
| CHEMBL195437 | 71118 | 80 | None | 1 | 10 | Human | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 206 | 7 | 1 | 1 | 4.3 | CCCCCCCCc1ccc(O)cc1 | nan | |||
| 1548953 | 207679 | 27 | None | 1 | 17 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 405 | 9 | 0 | 2 | 6.6 | CCN(CC)CCOc1ccc(/C(=C(/Cl)c2ccccc2)c2ccccc2)cc1 | nan | |||
| CHEMBL954 | 207679 | 27 | None | 1 | 17 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 405 | 9 | 0 | 2 | 6.6 | CCN(CC)CCOc1ccc(/C(=C(/Cl)c2ccccc2)c2ccccc2)cc1 | nan | |||
| 2683 | 102888 | 25 | None | -30 | 16 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 304 | 15 | 0 | 0 | 6.5 | CCCCCCCCCCCCCCCC[n+]1ccccc1 | nan | |||
| CHEMBL305906 | 102888 | 25 | None | -30 | 16 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 304 | 15 | 0 | 0 | 6.5 | CCCCCCCCCCCCCCCC[n+]1ccccc1 | nan | |||
| CHEMBL334255 | 102888 | 25 | None | -30 | 16 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 304 | 15 | 0 | 0 | 6.5 | CCCCCCCCCCCCCCCC[n+]1ccccc1 | nan | |||
| 448537 | 160250 | 89 | None | -21 | 25 | Human | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 268 | 4 | 2 | 2 | 4.8 | CC/C(=C(/CC)c1ccc(O)cc1)c1ccc(O)cc1 | nan | |||
| CHEMBL411 | 160250 | 89 | None | -21 | 25 | Human | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 268 | 4 | 2 | 2 | 4.8 | CC/C(=C(/CC)c1ccc(O)cc1)c1ccc(O)cc1 | nan | |||
| 1212 | 1662 | 50 | None | -54 | 65 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | nan | |||
| 204 | 1662 | 50 | None | -54 | 65 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | nan | |||
| 3372 | 1662 | 50 | None | -54 | 65 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | nan | |||
| CHEMBL726 | 1662 | 50 | None | -54 | 65 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | nan | |||
| DB00623 | 1662 | 50 | None | -54 | 65 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | nan | |||
| 138753276 | 177177 | 0 | None | - | 0 | Human | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 302 | 4 | 2 | 3 | 2.8 | CO[C@H]1CCN(Cc2c(C)cc(C)c3[nH]ccc23)[C@H](CO)C1 | 10.1021/acs.jmedchem.9b01870 | |||
| CHEMBL4634827 | 177177 | 0 | None | - | 0 | Human | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 302 | 4 | 2 | 3 | 2.8 | CO[C@H]1CCN(Cc2c(C)cc(C)c3[nH]ccc23)[C@H](CO)C1 | 10.1021/acs.jmedchem.9b01870 | |||
| 196129 | 67798 | 17 | None | -295 | 15 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 917 | 13 | 4 | 16 | 4.3 | CO[C@H]1C[C@@H](O[C@H]2C[C@H]([C@H]3O[C@](C)(O)[C@H](C)C[C@@H]3C)O[C@H]2[C@]2(C)CC[C@H]([C@]3(C)CC[C@]4(C[C@H](O)[C@@H](C)[C@@H]([C@@H](C)[C@@H]5O[C@](O)(CC(=O)O)[C@@H](C)[C@H](OC)[C@H]5OC)O4)O3)O2)O[C@@H](C)[C@@H]1OC | nan | |||
| CHEMBL1909065 | 67798 | 17 | None | -295 | 15 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 917 | 13 | 4 | 16 | 4.3 | CO[C@H]1C[C@@H](O[C@H]2C[C@H]([C@H]3O[C@](C)(O)[C@H](C)C[C@@H]3C)O[C@H]2[C@]2(C)CC[C@H]([C@]3(C)CC[C@]4(C[C@H](O)[C@@H](C)[C@@H]([C@@H](C)[C@@H]5O[C@](O)(CC(=O)O)[C@@H](C)[C@H](OC)[C@H]5OC)O4)O3)O2)O[C@@H](C)[C@@H]1OC | nan | |||
| 8447 | 188949 | 84 | None | -3 | 13 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 332 | 3 | 0 | 6 | 5.7 | c1ccc2sc(SSc3nc4ccccc4s3)nc2c1 | nan | |||
| CHEMBL508112 | 188949 | 84 | None | -3 | 13 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 332 | 3 | 0 | 6 | 5.7 | c1ccc2sc(SSc3nc4ccccc4s3)nc2c1 | nan | |||
| 73453 | 29616 | 24 | None | -3 | 17 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 561 | 4 | 3 | 6 | 2.0 | CC(C)[C@H]1C(=O)N2CCC[C@H]2[C@]2(O)O[C@](NC(=O)[C@@H]3C=C4c5cccc6[nH]cc(c56)C[C@H]4N(C)C3)(C(C)C)C(=O)N12 | nan | |||
| CHEMBL1385840 | 29616 | 24 | None | -3 | 17 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 561 | 4 | 3 | 6 | 2.0 | CC(C)[C@H]1C(=O)N2CCC[C@H]2[C@]2(O)O[C@](NC(=O)[C@@H]3C=C4c5cccc6[nH]cc(c56)C[C@H]4N(C)C3)(C(C)C)C(=O)N12 | nan | |||
| 100 | 3805 | 58 | None | -27 | 55 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | nan | |||
| 2637 | 3805 | 58 | None | -27 | 55 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | nan | |||
| 5452 | 3805 | 58 | None | -27 | 55 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | nan | |||
| CHEMBL479 | 3805 | 58 | None | -27 | 55 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | nan | |||
| DB00679 | 3805 | 58 | None | -27 | 55 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | nan | |||
| 3168 | 9262 | 92 | None | -63 | 21 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 379 | 6 | 1 | 4 | 3.7 | O=C(CCCN1CC=C(n2c(=O)[nH]c3ccccc32)CC1)c1ccc(F)cc1 | nan | |||
| CHEMBL1108 | 9262 | 92 | None | -63 | 21 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 379 | 6 | 1 | 4 | 3.7 | O=C(CCCN1CC=C(n2c(=O)[nH]c3ccccc32)CC1)c1ccc(F)cc1 | nan | |||
| 135 | 2532 | 43 | None | -6 | 58 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | nan | |||
| 1796 | 2532 | 43 | None | -6 | 58 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | nan | |||
| 4184 | 2532 | 43 | None | -6 | 58 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | nan | |||
| CHEMBL6437 | 2532 | 43 | None | -6 | 58 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | nan | |||
| DB06148 | 2532 | 43 | None | -6 | 58 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | nan | |||
| 138753277 | 177295 | 1 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 303 | 1 | 2 | 3 | 3.3 | Cc1cc(Br)c(NC2=NCCN2)c2ccccc12 | 10.1021/acs.jmedchem.9b01870 | |||
| CHEMBL4636550 | 177295 | 1 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 303 | 1 | 2 | 3 | 3.3 | Cc1cc(Br)c(NC2=NCCN2)c2ccccc12 | 10.1021/acs.jmedchem.9b01870 | |||
| 2162 | 41514 | 100 | None | -1 | 6 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 408 | 8 | 2 | 7 | 2.3 | CCOC(=O)C1=C(COCCN)NC(C)=C(C(=O)OC)C1c1ccccc1Cl | nan | |||
| CHEMBL1491 | 41514 | 100 | None | -1 | 6 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 408 | 8 | 2 | 7 | 2.3 | CCOC(=O)C1=C(COCCN)NC(C)=C(C(=O)OC)C1c1ccccc1Cl | nan | |||
| 10219 | 188796 | 37 | None | -2 | 5 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 480 | 7 | 1 | 6 | 4.9 | CC[C@H]1CN2CCc3cc(OC)c(OC)cc3[C@@H]2C[C@@H]1C[C@H]1NCCc2cc(OC)c(OC)cc21 | nan | |||
| CHEMBL493439 | 188796 | 37 | None | -2 | 5 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 480 | 7 | 1 | 6 | 4.9 | CC[C@H]1CN2CCc3cc(OC)c(OC)cc3[C@@H]2C[C@@H]1C[C@H]1NCCc2cc(OC)c(OC)cc21 | nan | |||
| CHEMBL50588 | 188796 | 37 | None | -2 | 5 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 480 | 7 | 1 | 6 | 4.9 | CC[C@H]1CN2CCc3cc(OC)c(OC)cc3[C@@H]2C[C@@H]1C[C@H]1NCCc2cc(OC)c(OC)cc21 | nan | |||
| 1353 | 1911 | 93 | None | -87 | 83 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | nan | |||
| 3559 | 1911 | 93 | None | -87 | 83 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | nan | |||
| 86 | 1911 | 93 | None | -87 | 83 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | nan | |||
| CHEMBL54 | 1911 | 93 | None | -87 | 83 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | nan | |||
| DB00502 | 1911 | 93 | None | -87 | 83 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | nan | |||
| 9904205 | 205850 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 294 | 2 | 0 | 3 | 3.4 | CN(C)CC1CC2c3ccccc3Cc3ccccc3N2O1 | 10.1016/s0960-894x(01)00721-1 | |||
| CHEMBL83658 | 205850 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 294 | 2 | 0 | 3 | 3.4 | CN(C)CC1CC2c3ccccc3Cc3ccccc3N2O1 | 10.1016/s0960-894x(01)00721-1 | |||
| 11057 | 176149 | 23 | None | -1 | 20 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 372 | 4 | 0 | 2 | 4.5 | CN(C)c1ccc(C(=C2C=CC(=[N+](C)C)C=C2)c2ccc(N(C)C)cc2)cc1 | nan | |||
| 3468 | 176149 | 23 | None | -1 | 20 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 372 | 4 | 0 | 2 | 4.5 | CN(C)c1ccc(C(=C2C=CC(=[N+](C)C)C=C2)c2ccc(N(C)C)cc2)cc1 | nan | |||
| CHEMBL459265 | 176149 | 23 | None | -1 | 20 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 372 | 4 | 0 | 2 | 4.5 | CN(C)c1ccc(C(=C2C=CC(=[N+](C)C)C=C2)c2ccc(N(C)C)cc2)cc1 | nan | |||
| CHEMBL64894 | 176149 | 23 | None | -1 | 20 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 372 | 4 | 0 | 2 | 4.5 | CN(C)c1ccc(C(=C2C=CC(=[N+](C)C)C=C2)c2ccc(N(C)C)cc2)cc1 | nan | |||
| 133 | 2496 | 52 | None | -26 | 42 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 403 | 4 | 1 | 4 | 4.1 | O=C(OCc1ccccc1)NC[C@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)cn3C | nan | |||
| 1723 | 2496 | 52 | None | -26 | 42 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 403 | 4 | 1 | 4 | 4.1 | O=C(OCc1ccccc1)NC[C@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)cn3C | nan | |||
| 28693 | 2496 | 52 | None | -26 | 42 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 403 | 4 | 1 | 4 | 4.1 | O=C(OCc1ccccc1)NC[C@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)cn3C | nan | |||
| CHEMBL19215 | 2496 | 52 | None | -26 | 42 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 403 | 4 | 1 | 4 | 4.1 | O=C(OCc1ccccc1)NC[C@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)cn3C | nan | |||
| DB13520 | 2496 | 52 | None | -26 | 42 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 403 | 4 | 1 | 4 | 4.1 | O=C(OCc1ccccc1)NC[C@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)cn3C | nan | |||
| 213 | 3853 | 55 | None | -6 | 44 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 371 | 5 | 0 | 6 | 2.4 | Clc1cccc(c1)N1CCN(CC1)CCCn1nc2n(c1=O)cccc2 | nan | |||
| 2717 | 3853 | 55 | None | -6 | 44 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 371 | 5 | 0 | 6 | 2.4 | Clc1cccc(c1)N1CCN(CC1)CCCn1nc2n(c1=O)cccc2 | nan | |||
| 5533 | 3853 | 55 | None | -6 | 44 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 371 | 5 | 0 | 6 | 2.4 | Clc1cccc(c1)N1CCN(CC1)CCCn1nc2n(c1=O)cccc2 | nan | |||
| CHEMBL621 | 3853 | 55 | None | -6 | 44 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 371 | 5 | 0 | 6 | 2.4 | Clc1cccc(c1)N1CCN(CC1)CCCn1nc2n(c1=O)cccc2 | nan | |||
| DB00656 | 3853 | 55 | None | -6 | 44 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 371 | 5 | 0 | 6 | 2.4 | Clc1cccc(c1)N1CCN(CC1)CCCn1nc2n(c1=O)cccc2 | nan | |||
| 2247 | 505 | 81 | None | -25 | 42 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | nan | |||
| 249 | 505 | 81 | None | -25 | 42 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | nan | |||
| 2603 | 505 | 81 | None | -25 | 42 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | nan | |||
| CHEMBL296419 | 505 | 81 | None | -25 | 42 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | nan | |||
| DB00637 | 505 | 81 | None | -25 | 42 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | nan | |||
| 2335 | 11848 | 22 | None | -2 | 12 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 412 | 11 | 0 | 2 | 6.1 | CC(C)(C)CC(C)(C)c1ccc(OCCOCC[N+](C)(C)Cc2ccccc2)cc1 | nan | |||
| 8478 | 11848 | 22 | None | -2 | 12 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 412 | 11 | 0 | 2 | 6.1 | CC(C)(C)CC(C)(C)c1ccc(OCCOCC[N+](C)(C)Cc2ccccc2)cc1 | nan | |||
| CHEMBL1182210 | 11848 | 22 | None | -2 | 12 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 412 | 11 | 0 | 2 | 6.1 | CC(C)(C)CC(C)(C)c1ccc(OCCOCC[N+](C)(C)Cc2ccccc2)cc1 | nan | |||
| CHEMBL221753 | 11848 | 22 | None | -2 | 12 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 412 | 11 | 0 | 2 | 6.1 | CC(C)(C)CC(C)(C)c1ccc(OCCOCC[N+](C)(C)Cc2ccccc2)cc1 | nan | |||
| 1816 | 2540 | 102 | None | -38 | 18 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 265 | 0 | 0 | 3 | 2.5 | CN1CCN2C(C1)c1ccccc1Cc1c2nccc1 | 10.1016/s0960-894x(99)00591-0 | |||
| 4205 | 2540 | 102 | None | -38 | 18 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 265 | 0 | 0 | 3 | 2.5 | CN1CCN2C(C1)c1ccccc1Cc1c2nccc1 | 10.1016/s0960-894x(99)00591-0 | |||
| 7241 | 2540 | 102 | None | -38 | 18 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 265 | 0 | 0 | 3 | 2.5 | CN1CCN2C(C1)c1ccccc1Cc1c2nccc1 | 10.1016/s0960-894x(99)00591-0 | |||
| CHEMBL654 | 2540 | 102 | None | -38 | 18 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 265 | 0 | 0 | 3 | 2.5 | CN1CCN2C(C1)c1ccccc1Cc1c2nccc1 | 10.1016/s0960-894x(99)00591-0 | |||
| DB00370 | 2540 | 102 | None | -38 | 18 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 265 | 0 | 0 | 3 | 2.5 | CN1CCN2C(C1)c1ccccc1Cc1c2nccc1 | 10.1016/s0960-894x(99)00591-0 | |||
| 44377007 | 57148 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 393 | 3 | 0 | 5 | 4.0 | Cc1nc2ccccn2c(=O)c1CCN1CCc2oc3c(Cl)cccc3c2C1 | 10.1016/s0960-894x(99)00591-0 | |||
| CHEMBL164612 | 57148 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 393 | 3 | 0 | 5 | 4.0 | Cc1nc2ccccn2c(=O)c1CCN1CCc2oc3c(Cl)cccc3c2C1 | 10.1016/s0960-894x(99)00591-0 | |||
| 44376975 | 55986 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 435 | 5 | 0 | 5 | 4.6 | O=c1c(CCN2CCc3oc4ccccc4c3C2)c(Cc2ccccc2)nc2ccccn12 | 10.1016/s0960-894x(99)00591-0 | |||
| CHEMBL162436 | 55986 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 435 | 5 | 0 | 5 | 4.6 | O=c1c(CCN2CCc3oc4ccccc4c3C2)c(Cc2ccccc2)nc2ccccn12 | 10.1016/s0960-894x(99)00591-0 | |||
| CHEMBL5082142 | 214787 | 0 | None | - | 0 | Human | 4.7 | pIC50 | = | 4.7 | Binding | ChEMBL | None | None | None | c1cnc2c(c1)CN[C@@H](CN(CCCCN1CCOCC1)[C@H]1CCCc3cccnc31)C2 | 10.1021/acs.jmedchem.1c01564 | |||||
| 1971 | 2866 | 38 | None | -3 | 30 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 263 | 3 | 1 | 1 | 3.8 | CNCCC=C1c2ccccc2CCc2c1cccc2 | nan | |||
| 2404 | 2866 | 38 | None | -3 | 30 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 263 | 3 | 1 | 1 | 3.8 | CNCCC=C1c2ccccc2CCc2c1cccc2 | nan | |||
| 4543 | 2866 | 38 | None | -3 | 30 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 263 | 3 | 1 | 1 | 3.8 | CNCCC=C1c2ccccc2CCc2c1cccc2 | nan | |||
| CHEMBL445 | 2866 | 38 | None | -3 | 30 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 263 | 3 | 1 | 1 | 3.8 | CNCCC=C1c2ccccc2CCc2c1cccc2 | nan | |||
| DB00540 | 2866 | 38 | None | -3 | 30 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 263 | 3 | 1 | 1 | 3.8 | CNCCC=C1c2ccccc2CCc2c1cccc2 | nan | |||
| 45482789 | 198925 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 428 | 4 | 2 | 2 | 4.5 | CCN(CC)C(=O)[C@@H]1C=C2c3cccc4[nH]cc(c34)C[C@H]2N(C(=O)Nc2ccccc2)C1 | 10.1016/j.bmcl.2009.09.002 | |||
| CHEMBL584554 | 198925 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 428 | 4 | 2 | 2 | 4.5 | CCN(CC)C(=O)[C@@H]1C=C2c3cccc4[nH]cc(c34)C[C@H]2N(C(=O)Nc2ccccc2)C1 | 10.1016/j.bmcl.2009.09.002 | |||
| CHEMBL5081505 | 214749 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | None | None | None | c1cnc2c(c1)CN[C@@H](CN(CCCC1CCNCC1)[C@H]1CCCc3cccnc31)C2 | 10.1021/acs.jmedchem.1c01564 | |||||
| 12488 | 1657 | 56 | None | -2 | 23 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 404 | 6 | 0 | 2 | 5.4 | C1CN(CCN1C/C=C/C2=CC=CC=C2)C(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F | nan | |||
| 941361 | 1657 | 56 | None | -2 | 23 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 404 | 6 | 0 | 2 | 5.4 | C1CN(CCN1C/C=C/C2=CC=CC=C2)C(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F | nan | |||
| CHEMBL30008 | 1657 | 56 | None | -2 | 23 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 404 | 6 | 0 | 2 | 5.4 | C1CN(CCN1C/C=C/C2=CC=CC=C2)C(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F | nan | |||
| DB04841 | 1657 | 56 | None | -2 | 23 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 404 | 6 | 0 | 2 | 5.4 | C1CN(CCN1C/C=C/C2=CC=CC=C2)C(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F | nan | |||
| 57345320 | 3832 | 9 | None | - | 0 | Human | 4.6 | pIC50 | = | 4.6 | Binding | ChEMBL | 364 | 7 | 2 | 4 | 3.2 | NCCCCN([C@H]1CCCc2c1nccc2)C[C@@H]1NCc2c(C1)cccc2 | 10.1021/acs.jmedchem.1c01564 | |||
| 9882 | 3832 | 9 | None | - | 0 | Human | 4.6 | pIC50 | = | 4.6 | Binding | ChEMBL | 364 | 7 | 2 | 4 | 3.2 | NCCCCN([C@H]1CCCc2c1nccc2)C[C@@H]1NCc2c(C1)cccc2 | 10.1021/acs.jmedchem.1c01564 | |||
| CHEMBL3091687 | 3832 | 9 | None | - | 0 | Human | 4.6 | pIC50 | = | 4.6 | Binding | ChEMBL | 364 | 7 | 2 | 4 | 3.2 | NCCCCN([C@H]1CCCc2c1nccc2)C[C@@H]1NCc2c(C1)cccc2 | 10.1021/acs.jmedchem.1c01564 | |||
| 28417 | 40039 | 49 | None | -1 | 12 | Human | 4.6 | pIC50 | = | 4.6 | Binding | ChEMBL | 337 | 0 | 1 | 3 | 4.2 | C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=Cc5oncc5C[C@]4(C)[C@H]3CC[C@@]21C | nan | |||
| CHEMBL1479 | 40039 | 49 | None | -1 | 12 | Human | 4.6 | pIC50 | = | 4.6 | Binding | ChEMBL | 337 | 0 | 1 | 3 | 4.2 | C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=Cc5oncc5C[C@]4(C)[C@H]3CC[C@@]21C | nan | |||
| 2286 | 3183 | 51 | None | -15 | 30 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 284 | 3 | 0 | 3 | 4.2 | CN(C(CN1c2ccccc2Sc2c1cccc2)C)C | nan | |||
| 4927 | 3183 | 51 | None | -15 | 30 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 284 | 3 | 0 | 3 | 4.2 | CN(C(CN1c2ccccc2Sc2c1cccc2)C)C | nan | |||
| 7282 | 3183 | 51 | None | -15 | 30 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 284 | 3 | 0 | 3 | 4.2 | CN(C(CN1c2ccccc2Sc2c1cccc2)C)C | nan | |||
| CHEMBL643 | 3183 | 51 | None | -15 | 30 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 284 | 3 | 0 | 3 | 4.2 | CN(C(CN1c2ccccc2Sc2c1cccc2)C)C | nan | |||
| DB01069 | 3183 | 51 | None | -15 | 30 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 284 | 3 | 0 | 3 | 4.2 | CN(C(CN1c2ccccc2Sc2c1cccc2)C)C | nan | |||
| 1028 | 291 | 71 | None | -67 | 30 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | nan | |||
| 139148732 | 291 | 71 | None | -67 | 30 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | nan | |||
| 479 | 291 | 71 | None | -67 | 30 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | nan | |||
| 5816 | 291 | 71 | None | -67 | 30 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | nan | |||
| CHEMBL679 | 291 | 71 | None | -67 | 30 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | nan | |||
| DB00668 | 291 | 71 | None | -67 | 30 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | nan | |||
| 222757 | 99376 | 73 | None | 1 | 3 | Human | 4.6 | pIC50 | = | 4.6 | Binding | ChEMBL | 376 | 2 | 1 | 3 | 5.1 | C[C@]12CC[C@@H]3c4ccc(OC(=O)c5ccccc5)cc4CC[C@H]3[C@@H]1CC[C@@H]2O | nan | |||
| CHEMBL282575 | 99376 | 73 | None | 1 | 3 | Human | 4.6 | pIC50 | = | 4.6 | Binding | ChEMBL | 376 | 2 | 1 | 3 | 5.1 | C[C@]12CC[C@@H]3c4ccc(OC(=O)c5ccccc5)cc4CC[C@H]3[C@@H]1CC[C@@H]2O | nan | |||
| 2284 | 3182 | 33 | None | -7 | 29 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 284 | 4 | 0 | 3 | 4.2 | CN(CCCN1c2ccccc2Sc2c1cccc2)C | nan | |||
| 4926 | 3182 | 33 | None | -7 | 29 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 284 | 4 | 0 | 3 | 4.2 | CN(CCCN1c2ccccc2Sc2c1cccc2)C | nan | |||
| 7281 | 3182 | 33 | None | -7 | 29 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 284 | 4 | 0 | 3 | 4.2 | CN(CCCN1c2ccccc2Sc2c1cccc2)C | nan | |||
| CHEMBL564 | 3182 | 33 | None | -7 | 29 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 284 | 4 | 0 | 3 | 4.2 | CN(CCCN1c2ccccc2Sc2c1cccc2)C | nan | |||
| DB00420 | 3182 | 33 | None | -7 | 29 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 284 | 4 | 0 | 3 | 4.2 | CN(CCCN1c2ccccc2Sc2c1cccc2)C | nan | |||
| 124 | 2981 | 47 | None | -60 | 33 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | nan | |||
| 2032 | 2981 | 47 | None | -60 | 33 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | nan | |||
| 4636 | 2981 | 47 | None | -60 | 33 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | nan | |||
| CHEMBL762 | 2981 | 47 | None | -60 | 33 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | nan | |||
| DB00935 | 2981 | 47 | None | -60 | 33 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | nan | |||
| 102 | 4127 | 48 | None | -2 | 49 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | 10.1021/jm900458r | |||
| 3659 | 4127 | 48 | None | -2 | 49 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | 10.1021/jm900458r | |||
| 8969 | 4127 | 48 | None | -2 | 49 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | 10.1021/jm900458r | |||
| CHEMBL15245 | 4127 | 48 | None | -2 | 49 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | 10.1021/jm900458r | |||
| DB01392 | 4127 | 48 | None | -2 | 49 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | 10.1021/jm900458r | |||
| 44377006 | 57463 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 393 | 3 | 0 | 5 | 4.0 | Cc1nc2ccccn2c(=O)c1CCN1CCc2oc3ccc(Cl)cc3c2C1 | 10.1016/s0960-894x(99)00591-0 | |||
| CHEMBL165677 | 57463 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 393 | 3 | 0 | 5 | 4.0 | Cc1nc2ccccn2c(=O)c1CCN1CCc2oc3ccc(Cl)cc3c2C1 | 10.1016/s0960-894x(99)00591-0 | |||
| 3191 | 102858 | 97 | None | -3 | 25 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 469 | 9 | 0 | 3 | 7.2 | CC(C)(C)c1ccc(C(=O)CCCN2CCC(OC(c3ccccc3)c3ccccc3)CC2)cc1 | nan | |||
| CHEMBL305660 | 102858 | 97 | None | -3 | 25 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 469 | 9 | 0 | 3 | 7.2 | CC(C)(C)c1ccc(C(=O)CCCN2CCC(OC(c3ccccc3)c3ccccc3)CC2)cc1 | nan | |||
| 2353 | 101112 | 82 | None | -1 | 4 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 336 | 2 | 0 | 4 | 3.1 | COc1ccc2cc3[n+](cc2c1OC)CCc1cc2c(cc1-3)OCO2 | nan | |||
| CHEMBL12089 | 101112 | 82 | None | -1 | 4 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 336 | 2 | 0 | 4 | 3.1 | COc1ccc2cc3[n+](cc2c1OC)CCc1cc2c(cc1-3)OCO2 | nan | |||
| CHEMBL295124 | 101112 | 82 | None | -1 | 4 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 336 | 2 | 0 | 4 | 3.1 | COc1ccc2cc3[n+](cc2c1OC)CCc1cc2c(cc1-3)OCO2 | nan | |||
| 44376927 | 55637 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 461 | 3 | 0 | 5 | 5.0 | Cc1nc2c(Cl)cc(C(F)(F)F)cn2c(=O)c1CCN1CCc2oc3ccccc3c2C1 | 10.1016/s0960-894x(99)00591-0 | |||
| CHEMBL162147 | 55637 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 461 | 3 | 0 | 5 | 5.0 | Cc1nc2c(Cl)cc(C(F)(F)F)cn2c(=O)c1CCN1CCc2oc3ccccc3c2C1 | 10.1016/s0960-894x(99)00591-0 | |||
| CHEMBL5076569 | 214449 | 0 | None | - | 0 | Human | 4.5 | pIC50 | = | 4.5 | Binding | ChEMBL | None | None | None | NCCCCN(C[C@H]1Cc2cccnc2CN1)[C@H]1CCCc2cccnc21 | 10.1021/acs.jmedchem.1c01564 | |||||
| 4011 | 82408 | 49 | None | -28 | 24 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 277 | 4 | 1 | 1 | 4.2 | CNCCCC12CCC(c3ccccc31)c1ccccc12 | nan | |||
| CHEMBL21731 | 82408 | 49 | None | -28 | 24 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 277 | 4 | 1 | 1 | 4.2 | CNCCCC12CCC(c3ccccc31)c1ccccc12 | nan | |||
| 6918276 | 15611 | 7 | None | -47 | 8 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 559 | 18 | 4 | 9 | 1.7 | CC[C@H](C)[C@@H](CO[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCS(C)(=O)=O)C(=O)OC(C)C)NC[C@@H](N)CS | nan | |||
| CHEMBL1221512 | 15611 | 7 | None | -47 | 8 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 559 | 18 | 4 | 9 | 1.7 | CC[C@H](C)[C@@H](CO[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCS(C)(=O)=O)C(=O)OC(C)C)NC[C@@H](N)CS | nan | |||
| 60838 | 183874 | 99 | None | -1 | 2 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 586 | 4 | 1 | 9 | 4.1 | CCc1c2c(nc3ccc(OC(=O)N4CCC(N5CCCCC5)CC4)cc13)-c1cc3c(c(=O)n1C2)COC(=O)[C@]3(O)CC | nan | |||
| CHEMBL481 | 183874 | 99 | None | -1 | 2 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 586 | 4 | 1 | 9 | 4.1 | CCc1c2c(nc3ccc(OC(=O)N4CCC(N5CCCCC5)CC4)cc13)-c1cc3c(c(=O)n1C2)COC(=O)[C@]3(O)CC | nan | |||
| 191 | 403 | 98 | None | -39 | 29 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 313 | 0 | 1 | 4 | 3.4 | Clc1ccc2c(c1)C(=Nc1c(O2)cccc1)N1CCNCC1 | nan | |||
| 201 | 403 | 98 | None | -39 | 29 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 313 | 0 | 1 | 4 | 3.4 | Clc1ccc2c(c1)C(=Nc1c(O2)cccc1)N1CCNCC1 | nan | |||
| 2170 | 403 | 98 | None | -39 | 29 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 313 | 0 | 1 | 4 | 3.4 | Clc1ccc2c(c1)C(=Nc1c(O2)cccc1)N1CCNCC1 | nan | |||
| CHEMBL1113 | 403 | 98 | None | -39 | 29 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 313 | 0 | 1 | 4 | 3.4 | Clc1ccc2c(c1)C(=Nc1c(O2)cccc1)N1CCNCC1 | nan | |||
| DB00543 | 403 | 98 | None | -39 | 29 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 313 | 0 | 1 | 4 | 3.4 | Clc1ccc2c(c1)C(=Nc1c(O2)cccc1)N1CCNCC1 | nan | |||
| 657255 | 199084 | 34 | None | -8 | 15 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 337 | 12 | 2 | 3 | 5.6 | CCCCCCCCN[C@H](C)[C@@H](O)c1ccc(SC(C)C)cc1 | nan | |||
| CHEMBL588119 | 199084 | 34 | None | -8 | 15 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 337 | 12 | 2 | 3 | 5.6 | CCCCCCCCN[C@H](C)[C@@H](O)c1ccc(SC(C)C)cc1 | nan | |||
| 102 | 4127 | 48 | None | -2 | 49 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | nan | |||
| 3659 | 4127 | 48 | None | -2 | 49 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | nan | |||
| 8969 | 4127 | 48 | None | -2 | 49 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | nan | |||
| CHEMBL15245 | 4127 | 48 | None | -2 | 49 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | nan | |||
| DB01392 | 4127 | 48 | None | -2 | 49 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | nan | |||
| 2726 | 919 | 68 | None | -31 | 72 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | nan | |||
| 621 | 919 | 68 | None | -31 | 72 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | nan | |||
| 83 | 919 | 68 | None | -31 | 72 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | nan | |||
| CHEMBL71 | 919 | 68 | None | -31 | 72 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | nan | |||
| DB00477 | 919 | 68 | None | -31 | 72 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | nan | |||
| 2600 | 3779 | 74 | None | -4 | 13 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 471 | 8 | 2 | 3 | 6.4 | OC(c1ccc(cc1)C(C)(C)C)CCCN1CCC(CC1)C(c1ccccc1)(c1ccccc1)O | nan | |||
| 2608 | 3779 | 74 | None | -4 | 13 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 471 | 8 | 2 | 3 | 6.4 | OC(c1ccc(cc1)C(C)(C)C)CCCN1CCC(CC1)C(c1ccccc1)(c1ccccc1)O | nan | |||
| 5405 | 3779 | 74 | None | -4 | 13 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 471 | 8 | 2 | 3 | 6.4 | OC(c1ccc(cc1)C(C)(C)C)CCCN1CCC(CC1)C(c1ccccc1)(c1ccccc1)O | nan | |||
| CHEMBL17157 | 3779 | 74 | None | -4 | 13 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 471 | 8 | 2 | 3 | 6.4 | OC(c1ccc(cc1)C(C)(C)C)CCCN1CCC(CC1)C(c1ccccc1)(c1ccccc1)O | nan | |||
| DB00342 | 3779 | 74 | None | -4 | 13 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 471 | 8 | 2 | 3 | 6.4 | OC(c1ccc(cc1)C(C)(C)C)CCCN1CCC(CC1)C(c1ccccc1)(c1ccccc1)O | nan | |||
| 134551 | 358 | 27 | None | -5 | 21 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 575 | 5 | 3 | 6 | 2.4 | CC(C[C@H]1C(=O)N2CCC[C@H]2[C@]2(N1C(=O)[C@@](O2)(NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)C(C)C)O)C | nan | |||
| 271 | 358 | 27 | None | -5 | 21 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 575 | 5 | 3 | 6 | 2.4 | CC(C[C@H]1C(=O)N2CCC[C@H]2[C@]2(N1C(=O)[C@@](O2)(NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)C(C)C)O)C | nan | |||
| 885 | 358 | 27 | None | -5 | 21 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 575 | 5 | 3 | 6 | 2.4 | CC(C[C@H]1C(=O)N2CCC[C@H]2[C@]2(N1C(=O)[C@@](O2)(NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)C(C)C)O)C | nan | |||
| CHEMBL1403281 | 358 | 27 | None | -5 | 21 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 575 | 5 | 3 | 6 | 2.4 | CC(C[C@H]1C(=O)N2CCC[C@H]2[C@]2(N1C(=O)[C@@](O2)(NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)C(C)C)O)C | nan | |||
| 237 | 204865 | 48 | None | -1 | 13 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 399 | 9 | 1 | 4 | 6.0 | CCN(CC)CCCC(C)Nc1c2ccc(Cl)cc2nc2ccc(OC)cc12 | nan | |||
| CHEMBL546257 | 204865 | 48 | None | -1 | 13 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 399 | 9 | 1 | 4 | 6.0 | CCN(CC)CCCC(C)Nc1c2ccc(Cl)cc2nc2ccc(OC)cc12 | nan | |||
| CHEMBL554190 | 204865 | 48 | None | -1 | 13 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 399 | 9 | 1 | 4 | 6.0 | CCN(CC)CCCC(C)Nc1c2ccc(Cl)cc2nc2ccc(OC)cc12 | nan | |||
| CHEMBL7568 | 204865 | 48 | None | -1 | 13 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 399 | 9 | 1 | 4 | 6.0 | CCN(CC)CCCC(C)Nc1c2ccc(Cl)cc2nc2ccc(OC)cc12 | nan | |||
| 121432827 | 192246 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 344 | 4 | 1 | 7 | 2.7 | c1cncc(-c2cnc(NCc3cccc4c3CCO4)n3cnnc23)c1 | 10.1021/acs.jmedchem.1c02148 | |||
| CHEMBL5205327 | 192246 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 344 | 4 | 1 | 7 | 2.7 | c1cncc(-c2cnc(NCc3cccc4c3CCO4)n3cnnc23)c1 | 10.1021/acs.jmedchem.1c02148 | |||
| CHEMBL1200633 | 208600 | 3 | None | -1 | 8 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H]1O[C@]2(CC[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)[C@@H](O[C@H]3C[C@H](OC)[C@@H](O[C@H]4C[C@H](OC)[C@@H](O)[C@H](C)O4)[C@H](C)O3)[C@@H](C)/C=C/C=C3\CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2.CO[C@H]1C[C@H](O[C@H]2[C@H](C)O[C@@H](O[C@@H]3/C(C)=C/C[C@@H]4C[C@@H](C[C@]5(CC[C@H](C)[C@@H](C(C)C)O5)O4)OC(=O)[C@@H]4C=C(C)[C@@H](O)[C@H]5OC/C(=C\C=C\[C@@H]3C)[C@@]45O)C[C@@H]2OC)O[C@@H](C)[C@@H]1O | nan | |||||
| 1201549 | 597 | 24 | None | -18 | 20 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 307 | 4 | 0 | 2 | 4.4 | CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(c1ccccc1)c1ccccc1 | nan | |||
| 333 | 597 | 24 | None | -18 | 20 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 307 | 4 | 0 | 2 | 4.4 | CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(c1ccccc1)c1ccccc1 | nan | |||
| 7601 | 597 | 24 | None | -18 | 20 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 307 | 4 | 0 | 2 | 4.4 | CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(c1ccccc1)c1ccccc1 | nan | |||
| CHEMBL1201203 | 597 | 24 | None | -18 | 20 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 307 | 4 | 0 | 2 | 4.4 | CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(c1ccccc1)c1ccccc1 | nan | |||
| CHEMBL438151 | 597 | 24 | None | -18 | 20 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 307 | 4 | 0 | 2 | 4.4 | CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(c1ccccc1)c1ccccc1 | nan | |||
| DB00245 | 597 | 24 | None | -18 | 20 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 307 | 4 | 0 | 2 | 4.4 | CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(c1ccccc1)c1ccccc1 | nan | |||
| 1588 | 2325 | 27 | None | -3 | 44 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 338 | 3 | 2 | 2 | 2.8 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | nan | |||
| 28864 | 2325 | 27 | None | -3 | 44 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 338 | 3 | 2 | 2 | 2.8 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | nan | |||
| 43 | 2325 | 27 | None | -3 | 44 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 338 | 3 | 2 | 2 | 2.8 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | nan | |||
| CHEMBL157138 | 2325 | 27 | None | -3 | 44 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 338 | 3 | 2 | 2 | 2.8 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | nan | |||
| DB00589 | 2325 | 27 | None | -3 | 44 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 338 | 3 | 2 | 2 | 2.8 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | nan | |||
| 3561 | 19077 | 39 | None | -2 | 11 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 360 | 2 | 0 | 1 | 4.4 | Clc1cc(Cl)c(OCC#CI)cc1Cl | nan | |||
| CHEMBL1289 | 19077 | 39 | None | -2 | 11 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 360 | 2 | 0 | 1 | 4.4 | Clc1cc(Cl)c(OCC#CI)cc1Cl | nan | |||
| 5353853 | 17986 | 47 | None | -11 | 15 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 427 | 6 | 0 | 4 | 6.1 | Clc1ccc(CO/N=C(\Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1 | nan | |||
| 9556529 | 17986 | 47 | None | -11 | 15 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 427 | 6 | 0 | 4 | 6.1 | Clc1ccc(CO/N=C(\Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1 | nan | |||
| CHEMBL1262 | 17986 | 47 | None | -11 | 15 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 427 | 6 | 0 | 4 | 6.1 | Clc1ccc(CO/N=C(\Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1 | nan | |||
| 441383 | 20333 | 57 | None | 2 | 16 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 531 | 8 | 0 | 8 | 4.5 | CC(C)N1CCN(c2ccc(OC[C@H]3CO[C@](Cn4cncn4)(c4ccc(Cl)cc4Cl)O3)cc2)CC1 | nan | |||
| CHEMBL1306 | 20333 | 57 | None | 2 | 16 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 531 | 8 | 0 | 8 | 4.5 | CC(C)N1CCN(c2ccc(OC[C@H]3CO[C@](Cn4cncn4)(c4ccc(Cl)cc4Cl)O3)cc2)CC1 | nan | |||
| 135 | 2532 | 43 | None | -6 | 58 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | 10.1016/s0960-894x(01)00721-1 | |||
| 1796 | 2532 | 43 | None | -6 | 58 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | 10.1016/s0960-894x(01)00721-1 | |||
| 4184 | 2532 | 43 | None | -6 | 58 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | 10.1016/s0960-894x(01)00721-1 | |||
| CHEMBL6437 | 2532 | 43 | None | -6 | 58 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | 10.1016/s0960-894x(01)00721-1 | |||
| DB06148 | 2532 | 43 | None | -6 | 58 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | 10.1016/s0960-894x(01)00721-1 | |||
| 2337 | 3256 | 77 | None | -10 | 62 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | nan | |||
| 50 | 3256 | 77 | None | -10 | 62 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | nan | |||
| 5002 | 3256 | 77 | None | -10 | 62 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | nan | |||
| CHEMBL716 | 3256 | 77 | None | -10 | 62 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | nan | |||
| DB01224 | 3256 | 77 | None | -10 | 62 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | nan | |||
| 2406 | 100404 | 89 | None | -11 | 12 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 354 | 2 | 2 | 3 | 5.9 | Oc1c(Cl)cc(Cl)cc1Sc1cc(Cl)cc(Cl)c1O | nan | |||
| CHEMBL290106 | 100404 | 89 | None | -11 | 12 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 354 | 2 | 2 | 3 | 5.9 | Oc1c(Cl)cc(Cl)cc1Sc1cc(Cl)cc(Cl)c1O | nan | |||
| 68617 | 205527 | 62 | None | -9 | 26 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 305 | 2 | 1 | 1 | 5.2 | CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc21 | nan | |||
| CHEMBL1709 | 205527 | 62 | None | -9 | 26 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 305 | 2 | 1 | 1 | 5.2 | CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc21 | nan | |||
| CHEMBL809 | 205527 | 62 | None | -9 | 26 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 305 | 2 | 1 | 1 | 5.2 | CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc21 | nan | |||
| 6761 | 67799 | 19 | None | -3 | 18 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 401 | 5 | 1 | 4 | 4.5 | NC(=O)C1CCN(CCCN2c3ccccc3Sc3ccc(Cl)cc32)CC1 | nan | |||
| CHEMBL1909072 | 67799 | 19 | None | -3 | 18 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 401 | 5 | 1 | 4 | 4.5 | NC(=O)C1CCN(CCCN2c3ccccc3Sc3ccc(Cl)cc32)CC1 | nan | |||
| 5318 | 15576 | 49 | None | -1 | 13 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 396 | 6 | 0 | 3 | 6.5 | Clc1ccc(CSC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1 | nan | |||
| CHEMBL1200348 | 15576 | 49 | None | -1 | 13 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 396 | 6 | 0 | 3 | 6.5 | Clc1ccc(CSC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1 | nan | |||
| CHEMBL1221 | 15576 | 49 | None | -1 | 13 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 396 | 6 | 0 | 3 | 6.5 | Clc1ccc(CSC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1 | nan | |||
| CHEMBL508338 | 188966 | 0 | None | -25 | 6 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | None | None | None | None | nan | |||||
| 31101 | 729 | 40 | None | -36 | 36 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 653 | 5 | 3 | 6 | 3.2 | CC(C[C@H]1C(=O)N2CCC[C@H]2[C@]2(N1C(=O)[C@@](O2)(NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c([nH]3)Br)C(C)C)O)C | nan | |||
| 35 | 729 | 40 | None | -36 | 36 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 653 | 5 | 3 | 6 | 3.2 | CC(C[C@H]1C(=O)N2CCC[C@H]2[C@]2(N1C(=O)[C@@](O2)(NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c([nH]3)Br)C(C)C)O)C | nan | |||
| 403 | 729 | 40 | None | -36 | 36 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 653 | 5 | 3 | 6 | 3.2 | CC(C[C@H]1C(=O)N2CCC[C@H]2[C@]2(N1C(=O)[C@@](O2)(NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c([nH]3)Br)C(C)C)O)C | nan | |||
| CHEMBL493 | 729 | 40 | None | -36 | 36 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 653 | 5 | 3 | 6 | 3.2 | CC(C[C@H]1C(=O)N2CCC[C@H]2[C@]2(N1C(=O)[C@@](O2)(NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c([nH]3)Br)C(C)C)O)C | nan | |||
| DB01200 | 729 | 40 | None | -36 | 36 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 653 | 5 | 3 | 6 | 3.2 | CC(C[C@H]1C(=O)N2CCC[C@H]2[C@]2(N1C(=O)[C@@](O2)(NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c([nH]3)Br)C(C)C)O)C | nan | |||
| 1836 | 2592 | 59 | None | -31 | 15 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 585 | 12 | 2 | 4 | 8.9 | OC(=O)CC1(CS[C@@H](c2cccc(c2)/C=C/c2ccc3c(n2)cc(cc3)Cl)CCc2ccccc2C(O)(C)C)CC1 | nan | |||
| 3340 | 2592 | 59 | None | -31 | 15 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 585 | 12 | 2 | 4 | 8.9 | OC(=O)CC1(CS[C@@H](c2cccc(c2)/C=C/c2ccc3c(n2)cc(cc3)Cl)CCc2ccccc2C(O)(C)C)CC1 | nan | |||
| 5281040 | 2592 | 59 | None | -31 | 15 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 585 | 12 | 2 | 4 | 8.9 | OC(=O)CC1(CS[C@@H](c2cccc(c2)/C=C/c2ccc3c(n2)cc(cc3)Cl)CCc2ccccc2C(O)(C)C)CC1 | nan | |||
| CHEMBL787 | 2592 | 59 | None | -31 | 15 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 585 | 12 | 2 | 4 | 8.9 | OC(=O)CC1(CS[C@@H](c2cccc(c2)/C=C/c2ccc3c(n2)cc(cc3)Cl)CCc2ccccc2C(O)(C)C)CC1 | nan | |||
| DB00471 | 2592 | 59 | None | -31 | 15 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 585 | 12 | 2 | 4 | 8.9 | OC(=O)CC1(CS[C@@H](c2cccc(c2)/C=C/c2ccc3c(n2)cc(cc3)Cl)CCc2ccccc2C(O)(C)C)CC1 | nan | |||
| 12575 | 1988 | 30 | None | -8 | 17 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 204 | 1 | 1 | 4 | 0.8 | C1CN=C(N1)C2COC3=CC=CC=C3O2 | 10.1016/s0960-894x(99)00591-0 | |||
| 54459 | 1988 | 30 | None | -8 | 17 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 204 | 1 | 1 | 4 | 0.8 | C1CN=C(N1)C2COC3=CC=CC=C3O2 | 10.1016/s0960-894x(99)00591-0 | |||
| CHEMBL10316 | 1988 | 30 | None | -8 | 17 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 204 | 1 | 1 | 4 | 0.8 | C1CN=C(N1)C2COC3=CC=CC=C3O2 | 10.1016/s0960-894x(99)00591-0 | |||
| 135398745 | 2914 | 112 | None | -30 | 65 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | nan | |||
| 47 | 2914 | 112 | None | -30 | 65 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | nan | |||
| CHEMBL715 | 2914 | 112 | None | -30 | 65 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | nan | |||
| DB00334 | 2914 | 112 | None | -30 | 65 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | nan | |||
| 11080 | 29085 | 79 | None | -3 | 6 | Human | 4.3 | pIC50 | = | 4.3 | Binding | ChEMBL | 185 | 1 | 0 | 2 | 3.6 | S=C=Nc1cccc2ccccc12 | nan | |||
| CHEMBL1381098 | 29085 | 79 | None | -3 | 6 | Human | 4.3 | pIC50 | = | 4.3 | Binding | ChEMBL | 185 | 1 | 0 | 2 | 3.6 | S=C=Nc1cccc2ccccc12 | nan | |||
| 44376845 | 55545 | 1 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 419 | 5 | 0 | 7 | 3.4 | COc1cc2nc(C)c(CCN3CCc4oc5ccccc5c4C3)c(=O)n2cc1OC | 10.1016/s0960-894x(99)00591-0 | |||
| CHEMBL162058 | 55545 | 1 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 419 | 5 | 0 | 7 | 3.4 | COc1cc2nc(C)c(CCN3CCc4oc5ccccc5c4C3)c(=O)n2cc1OC | 10.1016/s0960-894x(99)00591-0 | |||
| 180 | 401 | 56 | None | -16 | 40 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | nan | |||
| 200 | 401 | 56 | None | -16 | 40 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | nan | |||
| 2160 | 401 | 56 | None | -16 | 40 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | nan | |||
| CHEMBL629 | 401 | 56 | None | -16 | 40 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | nan | |||
| DB00321 | 401 | 56 | None | -16 | 40 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | nan | |||
| 44376936 | 57474 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 373 | 4 | 0 | 5 | 3.7 | Cc1nc2ccccn2c(=O)c1CCCN1CCc2oc3ccccc3c2C1 | 10.1016/s0960-894x(99)00591-0 | |||
| CHEMBL165776 | 57474 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 373 | 4 | 0 | 5 | 3.7 | Cc1nc2ccccn2c(=O)c1CCCN1CCc2oc3ccccc3c2C1 | 10.1016/s0960-894x(99)00591-0 | |||
| 3584 | 3777 | 64 | None | -50 | 13 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | nan | |||
| 5401 | 3777 | 64 | None | -50 | 13 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | nan | |||
| 7302 | 3777 | 64 | None | -50 | 13 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | nan | |||
| CHEMBL611 | 3777 | 64 | None | -50 | 13 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | nan | |||
| DB01162 | 3777 | 64 | None | -50 | 13 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | nan | |||
| 1343 | 1889 | 62 | None | -251 | 9 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 245 | 2 | 2 | 1 | 1.3 | O=C(Cc1c(Cl)cccc1Cl)N=C(N)N | nan | |||
| 3519 | 1889 | 62 | None | -251 | 9 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 245 | 2 | 2 | 1 | 1.3 | O=C(Cc1c(Cl)cccc1Cl)N=C(N)N | nan | |||
| 522 | 1889 | 62 | None | -251 | 9 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 245 | 2 | 2 | 1 | 1.3 | O=C(Cc1c(Cl)cccc1Cl)N=C(N)N | nan | |||
| CHEMBL862 | 1889 | 62 | None | -251 | 9 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 245 | 2 | 2 | 1 | 1.3 | O=C(Cc1c(Cl)cccc1Cl)N=C(N)N | nan | |||
| DB01018 | 1889 | 62 | None | -251 | 9 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 245 | 2 | 2 | 1 | 1.3 | O=C(Cc1c(Cl)cccc1Cl)N=C(N)N | nan | |||
| 4209 | 3163 | 75 | None | -181 | 33 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | nan | |||
| 4893 | 3163 | 75 | None | -181 | 33 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | nan | |||
| 503 | 3163 | 75 | None | -181 | 33 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | nan | |||
| 5385 | 3163 | 75 | None | -181 | 33 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | nan | |||
| CHEMBL2 | 3163 | 75 | None | -181 | 33 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | nan | |||
| DB00457 | 3163 | 75 | None | -181 | 33 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | nan | |||
| 1547484 | 940 | 74 | None | -4 | 20 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 368 | 6 | 0 | 2 | 5.1 | c1ccc(cc1)/C=C/CN1CCN(CC1)C(c1ccccc1)c1ccccc1 | nan | |||
| 654 | 940 | 74 | None | -4 | 20 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 368 | 6 | 0 | 2 | 5.1 | c1ccc(cc1)/C=C/CN1CCN(CC1)C(c1ccccc1)c1ccccc1 | nan | |||
| 9072 | 940 | 74 | None | -4 | 20 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 368 | 6 | 0 | 2 | 5.1 | c1ccc(cc1)/C=C/CN1CCN(CC1)C(c1ccccc1)c1ccccc1 | nan | |||
| CHEMBL43064 | 940 | 74 | None | -4 | 20 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 368 | 6 | 0 | 2 | 5.1 | c1ccc(cc1)/C=C/CN1CCN(CC1)C(c1ccccc1)c1ccccc1 | nan | |||
| DB00568 | 940 | 74 | None | -4 | 20 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 368 | 6 | 0 | 2 | 5.1 | c1ccc(cc1)/C=C/CN1CCN(CC1)C(c1ccccc1)c1ccccc1 | nan | |||
| 3598 | 187821 | 76 | None | -1 | 7 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 404 | 2 | 2 | 2 | 6.6 | Oc1c(Cl)cc(Cl)c(Cl)c1Cc1c(O)c(Cl)cc(Cl)c1Cl | nan | |||
| CHEMBL496 | 187821 | 76 | None | -1 | 7 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 404 | 2 | 2 | 2 | 6.6 | Oc1c(Cl)cc(Cl)c(Cl)c1Cc1c(O)c(Cl)cc(Cl)c1Cl | nan | |||
| 135398737 | 958 | 93 | None | -3 | 89 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | nan | |||
| 38 | 958 | 93 | None | -3 | 89 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | nan | |||
| 722 | 958 | 93 | None | -3 | 89 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | nan | |||
| CHEMBL42 | 958 | 93 | None | -3 | 89 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | nan | |||
| DB00363 | 958 | 93 | None | -3 | 89 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | nan | |||
| 42574 | 15287 | 90 | None | -18 | 3 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 662 | 4 | 2 | 3 | 7.1 | Cc1cc(C(C#N)c2ccc(Cl)cc2)c(Cl)cc1NC(=O)c1cc(I)cc(I)c1O | nan | |||
| CHEMBL12131 | 15287 | 90 | None | -18 | 3 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 662 | 4 | 2 | 3 | 7.1 | Cc1cc(C(C#N)c2ccc(Cl)cc2)c(Cl)cc1NC(=O)c1cc(I)cc(I)c1O | nan | |||
| 2351 | 3286 | 64 | None | -4 | 21 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 473 | 7 | 2 | 6 | 6.1 | Oc1ccc2c(c1)sc(c2C(=O)c1ccc(cc1)OCCN1CCCCC1)c1ccc(cc1)O | nan | |||
| 2820 | 3286 | 64 | None | -4 | 21 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 473 | 7 | 2 | 6 | 6.1 | Oc1ccc2c(c1)sc(c2C(=O)c1ccc(cc1)OCCN1CCCCC1)c1ccc(cc1)O | nan | |||
| 5035 | 3286 | 64 | None | -4 | 21 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 473 | 7 | 2 | 6 | 6.1 | Oc1ccc2c(c1)sc(c2C(=O)c1ccc(cc1)OCCN1CCCCC1)c1ccc(cc1)O | nan | |||
| CHEMBL81 | 3286 | 64 | None | -4 | 21 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 473 | 7 | 2 | 6 | 6.1 | Oc1ccc2c(c1)sc(c2C(=O)c1ccc(cc1)OCCN1CCCCC1)c1ccc(cc1)O | nan | |||
| DB00481 | 3286 | 64 | None | -4 | 21 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 473 | 7 | 2 | 6 | 6.1 | Oc1ccc2c(c1)sc(c2C(=O)c1ccc(cc1)OCCN1CCCCC1)c1ccc(cc1)O | nan | |||
| 42636941 | 178949 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 343 | 5 | 0 | 5 | 4.4 | CCCN1CCC(COc2nc3scc(C)c3n3cccc23)CC1 | 10.1016/j.bmc.2008.11.045 | |||
| CHEMBL470432 | 178949 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 343 | 5 | 0 | 5 | 4.4 | CCCN1CCC(COc2nc3scc(C)c3n3cccc23)CC1 | 10.1016/j.bmc.2008.11.045 | |||
| 240 | 944 | 43 | None | -5 | 24 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 465 | 9 | 2 | 6 | 3.4 | COC1CN(CCCOc2ccc(cc2)F)CCC1NC(=O)c1cc(Cl)c(cc1OC)N | nan | |||
| 2769 | 944 | 43 | None | -5 | 24 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 465 | 9 | 2 | 6 | 3.4 | COC1CN(CCCOc2ccc(cc2)F)CCC1NC(=O)c1cc(Cl)c(cc1OC)N | nan | |||
| 44279790 | 944 | 43 | None | -5 | 24 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 465 | 9 | 2 | 6 | 3.4 | COC1CN(CCCOc2ccc(cc2)F)CCC1NC(=O)c1cc(Cl)c(cc1OC)N | nan | |||
| 660 | 944 | 43 | None | -5 | 24 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 465 | 9 | 2 | 6 | 3.4 | COC1CN(CCCOc2ccc(cc2)F)CCC1NC(=O)c1cc(Cl)c(cc1OC)N | nan | |||
| CHEMBL1729 | 944 | 43 | None | -5 | 24 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 465 | 9 | 2 | 6 | 3.4 | COC1CN(CCCOc2ccc(cc2)F)CCC1NC(=O)c1cc(Cl)c(cc1OC)N | nan | |||
| CHEMBL560739 | 944 | 43 | None | -5 | 24 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 465 | 9 | 2 | 6 | 3.4 | COC1CN(CCCOc2ccc(cc2)F)CCC1NC(=O)c1cc(Cl)c(cc1OC)N | nan | |||
| DB00604 | 944 | 43 | None | -5 | 24 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 465 | 9 | 2 | 6 | 3.4 | COC1CN(CCCOc2ccc(cc2)F)CCC1NC(=O)c1cc(Cl)c(cc1OC)N | nan | |||
| 104903 | 56344 | 17 | None | -1 | 6 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 624 | 6 | 0 | 8 | 5.5 | C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)C3=CC[C@]2(C)[C@H]1C(=O)CN1CCN(c2cc(N3CCCC3)nc(N3CCCC3)n2)CC1 | nan | |||
| CHEMBL1630578 | 56344 | 17 | None | -1 | 6 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 624 | 6 | 0 | 8 | 5.5 | C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)C3=CC[C@]2(C)[C@H]1C(=O)CN1CCN(c2cc(N3CCCC3)nc(N3CCCC3)n2)CC1 | nan | |||
| 107715 | 200945 | 22 | None | -7 | 19 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 611 | 5 | 3 | 6 | 2.7 | CC(C)[C@@]1(NC(=O)[C@@H]2C[C@@H]3c4cccc5[nH]cc(c45)C[C@H]3N(C)C2)O[C@@]2(O)[C@@H]3CCCN3C(=O)[C@H](Cc3ccccc3)N2C1=O | nan | |||
| CHEMBL1255837 | 200945 | 22 | None | -7 | 19 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 611 | 5 | 3 | 6 | 2.7 | CC(C)[C@@]1(NC(=O)[C@@H]2C[C@@H]3c4cccc5[nH]cc(c45)C[C@H]3N(C)C2)O[C@@]2(O)[C@@H]3CCCN3C(=O)[C@H](Cc3ccccc3)N2C1=O | nan | |||
| CHEMBL601773 | 200945 | 22 | None | -7 | 19 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 611 | 5 | 3 | 6 | 2.7 | CC(C)[C@@]1(NC(=O)[C@@H]2C[C@@H]3c4cccc5[nH]cc(c45)C[C@H]3N(C)C2)O[C@@]2(O)[C@@H]3CCCN3C(=O)[C@H](Cc3ccccc3)N2C1=O | nan | |||
| 2274 | 3173 | 58 | None | -4 | 31 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 373 | 4 | 0 | 4 | 4.6 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(Cl)cc2 | nan | |||
| 4917 | 3173 | 58 | None | -4 | 31 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 373 | 4 | 0 | 4 | 4.6 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(Cl)cc2 | nan | |||
| 7279 | 3173 | 58 | None | -4 | 31 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 373 | 4 | 0 | 4 | 4.6 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(Cl)cc2 | nan | |||
| CHEMBL728 | 3173 | 58 | None | -4 | 31 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 373 | 4 | 0 | 4 | 4.6 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(Cl)cc2 | nan | |||
| DB00433 | 3173 | 58 | None | -4 | 31 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 373 | 4 | 0 | 4 | 4.6 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(Cl)cc2 | nan | |||
| CHEMBL5077132 | 214484 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | None | None | None | CN(CCCCN(C[C@H]1Cc2ncccc2CN1)[C@H]1CCCc2cccnc21)C1CCOCC1 | 10.1021/acs.jmedchem.1c01564 | |||||
| 10381889 | 107069 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 328 | 2 | 0 | 3 | 4.1 | CN(C)CC1CC2c3ccccc3Cc3ccc(Cl)cc3N2O1 | 10.1016/s0960-894x(01)00721-1 | |||
| CHEMBL315772 | 107069 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 328 | 2 | 0 | 3 | 4.1 | CN(C)CC1CC2c3ccccc3Cc3ccc(Cl)cc3N2O1 | 10.1016/s0960-894x(01)00721-1 | |||
| 132256889 | 190447 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 378 | 5 | 1 | 7 | 3.6 | COc1cccc(F)c1CNc1ccc(-c2cnc(C)nc2C)c2nncn12 | 10.1021/acs.jmedchem.1c02148 | |||
| CHEMBL5178464 | 190447 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 378 | 5 | 1 | 7 | 3.6 | COc1cccc(F)c1CNc1ccc(-c2cnc(C)nc2C)c2nncn12 | 10.1021/acs.jmedchem.1c02148 | |||
| CHEMBL5083458 | 214863 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | None | None | None | c1cnc2c(c1)CN[C@@H](CN(CCCCNC1COC1)[C@H]1CCCc3cccnc31)C2 | 10.1021/acs.jmedchem.1c01564 | |||||
| 2389 | 3331 | 118 | None | -10 | 67 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | nan | |||
| 5073 | 3331 | 118 | None | -10 | 67 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | nan | |||
| 96 | 3331 | 118 | None | -10 | 67 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | nan | |||
| CHEMBL85 | 3331 | 118 | None | -10 | 67 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | nan | |||
| DB00734 | 3331 | 118 | None | -10 | 67 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | nan | |||
| 2585 | 803 | 103 | None | -16 | 21 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 406 | 10 | 3 | 5 | 3.7 | COc1ccccc1OCCNCC(COc1cccc2c1c1ccccc1[nH]2)O | nan | |||
| 522 | 803 | 103 | None | -16 | 21 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 406 | 10 | 3 | 5 | 3.7 | COc1ccccc1OCCNCC(COc1cccc2c1c1ccccc1[nH]2)O | nan | |||
| 551 | 803 | 103 | None | -16 | 21 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 406 | 10 | 3 | 5 | 3.7 | COc1ccccc1OCCNCC(COc1cccc2c1c1ccccc1[nH]2)O | nan | |||
| CHEMBL723 | 803 | 103 | None | -16 | 21 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 406 | 10 | 3 | 5 | 3.7 | COc1ccccc1OCCNCC(COc1cccc2c1c1ccccc1[nH]2)O | nan | |||
| DB01136 | 803 | 103 | None | -16 | 21 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 406 | 10 | 3 | 5 | 3.7 | COc1ccccc1OCCNCC(COc1cccc2c1c1ccccc1[nH]2)O | nan | |||
| 26987 | 949 | 33 | None | -107 | 21 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 343 | 6 | 0 | 2 | 5.1 | Clc1ccc(cc1)[C@@](c1ccccc1)(OCC[C@H]1CCCN1C)C | nan | |||
| 6063 | 949 | 33 | None | -107 | 21 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 343 | 6 | 0 | 2 | 5.1 | Clc1ccc(cc1)[C@@](c1ccccc1)(OCC[C@H]1CCCN1C)C | nan | |||
| 671 | 949 | 33 | None | -107 | 21 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 343 | 6 | 0 | 2 | 5.1 | Clc1ccc(cc1)[C@@](c1ccccc1)(OCC[C@H]1CCCN1C)C | nan | |||
| CHEMBL1626 | 949 | 33 | None | -107 | 21 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 343 | 6 | 0 | 2 | 5.1 | Clc1ccc(cc1)[C@@](c1ccccc1)(OCC[C@H]1CCCN1C)C | nan | |||
| DB00283 | 949 | 33 | None | -107 | 21 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 343 | 6 | 0 | 2 | 5.1 | Clc1ccc(cc1)[C@@](c1ccccc1)(OCC[C@H]1CCCN1C)C | nan | |||
| 136019934 | 144530 | 0 | None | 7 | 3 | Human | 10.0 | pKi | = | 10 | Binding | ChEMBL | 462 | 7 | 1 | 7 | 3.6 | COc1cc2c(cc1OC)C1=NOC(CN3CCN(C/C(C)=C/c4ccccc4)CC3)C1CN2 | 10.1016/j.bmc.2007.03.053 | |||
| CHEMBL390718 | 144530 | 0 | None | 7 | 3 | Human | 10.0 | pKi | = | 10 | Binding | ChEMBL | 462 | 7 | 1 | 7 | 3.6 | COc1cc2c(cc1OC)C1=NOC(CN3CCN(C/C(C)=C/c4ccccc4)CC3)C1CN2 | 10.1016/j.bmc.2007.03.053 | |||
| 44324800 | 206948 | 0 | None | 5 | 7 | Human | 10.0 | pKi | = | 10 | Binding | ChEMBL | 463 | 7 | 0 | 7 | 3.5 | COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C(C)=C/c4ccccc4)CC3)[C@@H]1CO2 | 10.1016/s0960-894x(03)00525-0 | |||
| CHEMBL91157 | 206948 | 0 | None | 5 | 7 | Human | 10.0 | pKi | = | 10 | Binding | ChEMBL | 463 | 7 | 0 | 7 | 3.5 | COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C(C)=C/c4ccccc4)CC3)[C@@H]1CO2 | 10.1016/s0960-894x(03)00525-0 | |||
| 44324800 | 206948 | 0 | None | 5 | 7 | Human | 10.0 | pKi | = | 10 | Binding | ChEMBL | 463 | 7 | 0 | 7 | 3.5 | COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C(C)=C/c4ccccc4)CC3)[C@@H]1CO2 | 10.1021/jm049619s | |||
| CHEMBL91157 | 206948 | 0 | None | 5 | 7 | Human | 10.0 | pKi | = | 10 | Binding | ChEMBL | 463 | 7 | 0 | 7 | 3.5 | COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C(C)=C/c4ccccc4)CC3)[C@@H]1CO2 | 10.1021/jm049619s | |||
| 49781228 | 17205 | 1 | None | -3 | 4 | Human | 9.9 | pKi | = | 9.9 | Binding | ChEMBL | 196 | 1 | 1 | 1 | 2.4 | c1ccc2c(c1)C[C@]1(c3c[nH]cn3)C[C@H]21 | 10.1021/jm1006269 | |||
| CHEMBL1256414 | 17205 | 1 | None | -3 | 4 | Human | 9.9 | pKi | = | 9.9 | Binding | ChEMBL | 196 | 1 | 1 | 1 | 2.4 | c1ccc2c(c1)C[C@]1(c3c[nH]cn3)C[C@H]21 | 10.1021/jm1006269 | |||
| 52944548 | 17152 | 0 | None | -1 | 4 | Human | 9.8 | pKi | = | 9.8 | Binding | ChEMBL | 224 | 2 | 1 | 1 | 3.0 | CC[C@H]1[C@@H]2c3ccccc3C[C@]12c1c[nH]cn1 | 10.1021/jm1006269 | |||
| CHEMBL1255723 | 17152 | 0 | None | -1 | 4 | Human | 9.8 | pKi | = | 9.8 | Binding | ChEMBL | 224 | 2 | 1 | 1 | 3.0 | CC[C@H]1[C@@H]2c3ccccc3C[C@]12c1c[nH]cn1 | 10.1021/jm1006269 | |||
| 49781228 | 17205 | 1 | None | -3 | 4 | Human | 9.8 | pKi | = | 9.8 | Binding | ChEMBL | 196 | 1 | 1 | 1 | 2.4 | c1ccc2c(c1)C[C@]1(c3c[nH]cn3)C[C@H]21 | 10.1021/jm1006269 | |||
| CHEMBL1256414 | 17205 | 1 | None | -3 | 4 | Human | 9.8 | pKi | = | 9.8 | Binding | ChEMBL | 196 | 1 | 1 | 1 | 2.4 | c1ccc2c(c1)C[C@]1(c3c[nH]cn3)C[C@H]21 | 10.1021/jm1006269 | |||
| 44330168 | 4319 | 0 | None | 1 | 2 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 469 | 7 | 0 | 8 | 3.6 | COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C=C(\C)c4cccs4)CC3)[C@@H]1CO2 | 10.1016/j.bmcl.2004.03.031 | |||
| CHEMBL100879 | 4319 | 0 | None | 1 | 2 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 469 | 7 | 0 | 8 | 3.6 | COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C=C(\C)c4cccs4)CC3)[C@@H]1CO2 | 10.1016/j.bmcl.2004.03.031 | |||
| 44330668 | 4436 | 0 | None | 5 | 2 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 469 | 7 | 0 | 8 | 3.6 | COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C(C)=C/c4ccsc4)CC3)[C@@H]1CO2 | 10.1016/j.bmcl.2004.03.031 | |||
| CHEMBL101596 | 4436 | 0 | None | 5 | 2 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 469 | 7 | 0 | 8 | 3.6 | COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C(C)=C/c4ccsc4)CC3)[C@@H]1CO2 | 10.1016/j.bmcl.2004.03.031 | |||
| 44330617 | 96620 | 0 | None | 5 | 2 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 481 | 7 | 0 | 7 | 3.7 | COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C(C)=C/c4cccc(F)c4)CC3)[C@@H]1CO2 | 10.1016/j.bmcl.2004.03.031 | |||
| CHEMBL263424 | 96620 | 0 | None | 5 | 2 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 481 | 7 | 0 | 7 | 3.7 | COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C(C)=C/c4cccc(F)c4)CC3)[C@@H]1CO2 | 10.1016/j.bmcl.2004.03.031 | |||
| 11225779 | 107732 | 0 | None | 1 | 2 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 499 | 7 | 0 | 7 | 3.8 | COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C(C)=C/c4cc(F)ccc4F)CC3)[C@@H]1CO2 | 10.1016/j.bmcl.2004.03.031 | |||
| CHEMBL319119 | 107732 | 0 | None | 1 | 2 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 499 | 7 | 0 | 7 | 3.8 | COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C(C)=C/c4cc(F)ccc4F)CC3)[C@@H]1CO2 | 10.1016/j.bmcl.2004.03.031 | |||
| 44324972 | 163372 | 0 | None | 2 | 4 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 463 | 7 | 0 | 7 | 3.5 | COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C=C(\C)c4ccccc4)CC3)[C@@H]1CO2 | 10.1016/j.bmcl.2004.03.031 | |||
| CHEMBL419316 | 163372 | 0 | None | 2 | 4 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 463 | 7 | 0 | 7 | 3.5 | COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C=C(\C)c4ccccc4)CC3)[C@@H]1CO2 | 10.1016/j.bmcl.2004.03.031 | |||
| 44324800 | 206948 | 0 | None | 5 | 7 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 463 | 7 | 0 | 7 | 3.5 | COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C(C)=C/c4ccccc4)CC3)[C@@H]1CO2 | 10.1016/j.bmcl.2004.03.031 | |||
| CHEMBL91157 | 206948 | 0 | None | 5 | 7 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 463 | 7 | 0 | 7 | 3.5 | COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C(C)=C/c4ccccc4)CC3)[C@@H]1CO2 | 10.1016/j.bmcl.2004.03.031 | |||
| 44330653 | 208232 | 0 | None | 8 | 2 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 469 | 7 | 0 | 8 | 3.6 | COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C(C)=C/c4cccs4)CC3)[C@@H]1CO2 | 10.1016/j.bmcl.2004.03.031 | |||
| CHEMBL98646 | 208232 | 0 | None | 8 | 2 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 469 | 7 | 0 | 8 | 3.6 | COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C(C)=C/c4cccs4)CC3)[C@@H]1CO2 | 10.1016/j.bmcl.2004.03.031 | |||
| 44324972 | 163372 | 0 | None | 2 | 4 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 463 | 7 | 0 | 7 | 3.5 | COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C=C(\C)c4ccccc4)CC3)[C@@H]1CO2 | 10.1016/s0960-894x(03)00525-0 | |||
| CHEMBL419316 | 163372 | 0 | None | 2 | 4 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 463 | 7 | 0 | 7 | 3.5 | COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C=C(\C)c4ccccc4)CC3)[C@@H]1CO2 | 10.1016/s0960-894x(03)00525-0 | |||
| 44325050 | 207281 | 0 | None | 3 | 3 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 463 | 7 | 0 | 7 | 3.5 | COc1cc2c(cc1OC)C1=NOC(CN3CCN(C/C(C)=C/c4ccccc4)CC3)C1CO2 | 10.1016/s0960-894x(03)00525-0 | |||
| CHEMBL93171 | 207281 | 0 | None | 3 | 3 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 463 | 7 | 0 | 7 | 3.5 | COc1cc2c(cc1OC)C1=NOC(CN3CCN(C/C(C)=C/c4ccccc4)CC3)C1CO2 | 10.1016/s0960-894x(03)00525-0 | |||
| 44324972 | 163372 | 0 | None | 2 | 4 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 463 | 7 | 0 | 7 | 3.5 | COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C=C(\C)c4ccccc4)CC3)[C@@H]1CO2 | 10.1021/jm049619s | |||
| CHEMBL419316 | 163372 | 0 | None | 2 | 4 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 463 | 7 | 0 | 7 | 3.5 | COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C=C(\C)c4ccccc4)CC3)[C@@H]1CO2 | 10.1021/jm049619s | |||
| 49781228 | 17205 | 1 | None | -3 | 4 | Human | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 196 | 1 | 1 | 1 | 2.4 | c1ccc2c(c1)C[C@]1(c3c[nH]cn3)C[C@H]21 | 10.1021/jm1006269 | |||
| CHEMBL1256414 | 17205 | 1 | None | -3 | 4 | Human | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 196 | 1 | 1 | 1 | 2.4 | c1ccc2c(c1)C[C@]1(c3c[nH]cn3)C[C@H]21 | 10.1021/jm1006269 | |||
| 16655023 | 107441 | 2 | None | 5 | 7 | Human | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 481 | 7 | 0 | 7 | 3.7 | COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C(C)=C/c4ccc(F)cc4)CC3)[C@@H]1CO2 | 10.1016/j.bmc.2007.03.053 | |||
| CHEMBL318235 | 107441 | 2 | None | 5 | 7 | Human | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 481 | 7 | 0 | 7 | 3.7 | COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C(C)=C/c4ccc(F)cc4)CC3)[C@@H]1CO2 | 10.1016/j.bmc.2007.03.053 | |||
| 52941512 | 17198 | 0 | None | -1 | 4 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 210 | 1 | 1 | 1 | 2.6 | C[C@H]1[C@@H]2c3ccccc3C[C@]12c1c[nH]cn1 | 10.1021/jm1006269 | |||
| CHEMBL1256378 | 17198 | 0 | None | -1 | 4 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 210 | 1 | 1 | 1 | 2.6 | C[C@H]1[C@@H]2c3ccccc3C[C@]12c1c[nH]cn1 | 10.1021/jm1006269 | |||
| 44330369 | 111582 | 0 | None | 4 | 2 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 469 | 7 | 0 | 8 | 3.6 | COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C=C(\C)c4ccsc4)CC3)[C@@H]1CO2 | 10.1016/j.bmcl.2004.03.031 | |||
| CHEMBL328195 | 111582 | 0 | None | 4 | 2 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 469 | 7 | 0 | 8 | 3.6 | COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C=C(\C)c4ccsc4)CC3)[C@@H]1CO2 | 10.1016/j.bmcl.2004.03.031 | |||
| 10480357 | 208218 | 0 | None | 9 | 2 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 481 | 7 | 0 | 7 | 3.7 | COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C=C(\C)c4ccc(F)cc4)CC3)[C@@H]1CO2 | 10.1016/j.bmcl.2004.03.031 | |||
| CHEMBL98541 | 208218 | 0 | None | 9 | 2 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 481 | 7 | 0 | 7 | 3.7 | COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C=C(\C)c4ccc(F)cc4)CC3)[C@@H]1CO2 | 10.1016/j.bmcl.2004.03.031 | |||
| 44330114 | 108082 | 0 | None | 1 | 2 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 453 | 7 | 0 | 8 | 3.1 | COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C=C(\C)c4ccco4)CC3)[C@@H]1CO2 | 10.1016/j.bmcl.2004.03.031 | |||
| CHEMBL319530 | 108082 | 0 | None | 1 | 2 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 453 | 7 | 0 | 8 | 3.1 | COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C=C(\C)c4ccco4)CC3)[C@@H]1CO2 | 10.1016/j.bmcl.2004.03.031 | |||
| 44330635 | 208426 | 0 | None | 2 | 2 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 493 | 8 | 0 | 8 | 3.5 | COc1ccccc1/C=C(\C)CN1CCN(C[C@@H]2ON=C3c4cc(OC)c(OC)cc4OC[C@H]32)CC1 | 10.1016/j.bmcl.2004.03.031 | |||
| CHEMBL99868 | 208426 | 0 | None | 2 | 2 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 493 | 8 | 0 | 8 | 3.5 | COc1ccccc1/C=C(\C)CN1CCN(C[C@@H]2ON=C3c4cc(OC)c(OC)cc4OC[C@H]32)CC1 | 10.1016/j.bmcl.2004.03.031 | |||
| 52948958 | 17153 | 0 | None | -1 | 4 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 238 | 3 | 1 | 1 | 3.4 | CCC[C@H]1[C@@H]2c3ccccc3C[C@]12c1c[nH]cn1 | 10.1021/jm1006269 | |||
| CHEMBL1255724 | 17153 | 0 | None | -1 | 4 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 238 | 3 | 1 | 1 | 3.4 | CCC[C@H]1[C@@H]2c3ccccc3C[C@]12c1c[nH]cn1 | 10.1021/jm1006269 | |||
| 44579228 | 181654 | 0 | None | 13 | 3 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 467 | 7 | 2 | 7 | 2.9 | CC(C)(C)Nc1ncccc1C(=O)NCCN1CCCN(CC2COc3ccccc3O2)CC1 | 10.1016/j.bmcl.2008.08.055 | |||
| CHEMBL477608 | 181654 | 0 | None | 13 | 3 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 467 | 7 | 2 | 7 | 2.9 | CC(C)(C)Nc1ncccc1C(=O)NCCN1CCCN(CC2COc3ccccc3O2)CC1 | 10.1016/j.bmcl.2008.08.055 | |||
| 102 | 4127 | 48 | None | -2 | 49 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | 10.1016/j.ejmech.2014.12.045 | |||
| 3659 | 4127 | 48 | None | -2 | 49 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | 10.1016/j.ejmech.2014.12.045 | |||
| 8969 | 4127 | 48 | None | -2 | 49 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | 10.1016/j.ejmech.2014.12.045 | |||
| CHEMBL15245 | 4127 | 48 | None | -2 | 49 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | 10.1016/j.ejmech.2014.12.045 | |||
| DB01392 | 4127 | 48 | None | -2 | 49 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | 10.1016/j.ejmech.2014.12.045 | |||
| 102 | 4127 | 48 | None | -2 | 49 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | 10.1021/jm401895u | |||
| 3659 | 4127 | 48 | None | -2 | 49 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | 10.1021/jm401895u | |||
| 8969 | 4127 | 48 | None | -2 | 49 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | 10.1021/jm401895u | |||
| CHEMBL15245 | 4127 | 48 | None | -2 | 49 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | 10.1021/jm401895u | |||
| DB01392 | 4127 | 48 | None | -2 | 49 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | 10.1021/jm401895u | |||
| 44330645 | 208434 | 0 | None | 3 | 2 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 453 | 7 | 0 | 8 | 3.1 | COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C(C)=C/c4ccco4)CC3)[C@@H]1CO2 | 10.1016/j.bmcl.2004.03.031 | |||
| CHEMBL99916 | 208434 | 0 | None | 3 | 2 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 453 | 7 | 0 | 8 | 3.1 | COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C(C)=C/c4ccco4)CC3)[C@@H]1CO2 | 10.1016/j.bmcl.2004.03.031 | |||
| 44324765 | 111568 | 0 | None | 2 | 5 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 449 | 7 | 0 | 7 | 3.1 | COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C=C/c4ccccc4)CC3)[C@@H]1CO2 | 10.1016/s0960-894x(03)00525-0 | |||
| CHEMBL328114 | 111568 | 0 | None | 2 | 5 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 449 | 7 | 0 | 7 | 3.1 | COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C=C/c4ccccc4)CC3)[C@@H]1CO2 | 10.1016/s0960-894x(03)00525-0 | |||
| 44324765 | 111568 | 0 | None | 2 | 5 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 449 | 7 | 0 | 7 | 3.1 | COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C=C/c4ccccc4)CC3)[C@@H]1CO2 | 10.1021/jm049619s | |||
| CHEMBL328114 | 111568 | 0 | None | 2 | 5 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 449 | 7 | 0 | 7 | 3.1 | COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C=C/c4ccccc4)CC3)[C@@H]1CO2 | 10.1021/jm049619s | |||
| 49781222 | 17251 | 0 | None | -2 | 4 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 210 | 1 | 1 | 1 | 3.0 | C[C@H]1c2ccccc2[C@H]2C[C@@]12c1c[nH]cn1 | 10.1021/jm1006269 | |||
| CHEMBL1256609 | 17251 | 0 | None | -2 | 4 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 210 | 1 | 1 | 1 | 3.0 | C[C@H]1c2ccccc2[C@H]2C[C@@]12c1c[nH]cn1 | 10.1021/jm1006269 | |||
| 44579230 | 181544 | 0 | None | 8 | 3 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 468 | 10 | 1 | 7 | 2.8 | CCCCOc1cccc(C(=O)NCCN2CCCN(CC3COc4ccccc4O3)CC2)n1 | 10.1016/j.bmcl.2008.08.055 | |||
| CHEMBL476569 | 181544 | 0 | None | 8 | 3 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 468 | 10 | 1 | 7 | 2.8 | CCCCOc1cccc(C(=O)NCCN2CCCN(CC3COc4ccccc4O3)CC2)n1 | 10.1016/j.bmcl.2008.08.055 | |||
| 44330368 | 112192 | 0 | None | 3 | 2 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 479 | 7 | 1 | 8 | 3.2 | COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C=C(\C)c4ccc(O)cc4)CC3)[C@@H]1CO2 | 10.1016/j.bmcl.2004.03.031 | |||
| CHEMBL329065 | 112192 | 0 | None | 3 | 2 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 479 | 7 | 1 | 8 | 3.2 | COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C=C(\C)c4ccc(O)cc4)CC3)[C@@H]1CO2 | 10.1016/j.bmcl.2004.03.031 | |||
| 44325049 | 111523 | 0 | None | 2 | 3 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 463 | 7 | 0 | 7 | 3.5 | COc1cc2c(cc1OC)C1=NOC(CN3CCN(C/C=C(\C)c4ccccc4)CC3)C1CO2 | 10.1016/s0960-894x(03)00525-0 | |||
| CHEMBL327875 | 111523 | 0 | None | 2 | 3 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 463 | 7 | 0 | 7 | 3.5 | COc1cc2c(cc1OC)C1=NOC(CN3CCN(C/C=C(\C)c4ccccc4)CC3)C1CO2 | 10.1016/s0960-894x(03)00525-0 | |||
| 1588 | 2325 | 27 | None | -3 | 44 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 338 | 3 | 2 | 2 | 2.8 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | nan | |||
| 28864 | 2325 | 27 | None | -3 | 44 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 338 | 3 | 2 | 2 | 2.8 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | nan | |||
| 43 | 2325 | 27 | None | -3 | 44 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 338 | 3 | 2 | 2 | 2.8 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | nan | |||
| CHEMBL157138 | 2325 | 27 | None | -3 | 44 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 338 | 3 | 2 | 2 | 2.8 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | nan | |||
| DB00589 | 2325 | 27 | None | -3 | 44 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 338 | 3 | 2 | 2 | 2.8 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | nan | |||
| 11203101 | 71683 | 0 | None | 44 | 3 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 515 | 7 | 3 | 5 | 4.1 | O=C(CCCNC(=O)[C@@H]1C2C[C@H]3c4[nH]c5ccccc5c4CCN3C[C@@H]2CC[C@@H]1O)OCc1ccccc1 | 10.1016/j.bmcl.2005.03.116 | |||
| CHEMBL196451 | 71683 | 0 | None | 44 | 3 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 515 | 7 | 3 | 5 | 4.1 | O=C(CCCNC(=O)[C@@H]1C2C[C@H]3c4[nH]c5ccccc5c4CCN3C[C@@H]2CC[C@@H]1O)OCc1ccccc1 | 10.1016/j.bmcl.2005.03.116 | |||
| 16655023 | 107441 | 2 | None | 5 | 7 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 481 | 7 | 0 | 7 | 3.7 | COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C(C)=C/c4ccc(F)cc4)CC3)[C@@H]1CO2 | 10.1016/j.bmc.2007.03.053 | |||
| CHEMBL318235 | 107441 | 2 | None | 5 | 7 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 481 | 7 | 0 | 7 | 3.7 | COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C(C)=C/c4ccc(F)cc4)CC3)[C@@H]1CO2 | 10.1016/j.bmc.2007.03.053 | |||
| 16655023 | 107441 | 2 | None | 5 | 7 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 481 | 7 | 0 | 7 | 3.7 | COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C(C)=C/c4ccc(F)cc4)CC3)[C@@H]1CO2 | 10.1016/j.bmcl.2004.03.031 | |||
| CHEMBL318235 | 107441 | 2 | None | 5 | 7 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 481 | 7 | 0 | 7 | 3.7 | COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C(C)=C/c4ccc(F)cc4)CC3)[C@@H]1CO2 | 10.1016/j.bmcl.2004.03.031 | |||
| 44330427 | 163375 | 0 | None | 4 | 2 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 499 | 7 | 0 | 7 | 3.8 | COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C(C)=C/c4cccc(F)c4F)CC3)[C@@H]1CO2 | 10.1016/j.bmcl.2004.03.031 | |||
| CHEMBL419336 | 163375 | 0 | None | 4 | 2 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 499 | 7 | 0 | 7 | 3.8 | COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C(C)=C/c4cccc(F)c4F)CC3)[C@@H]1CO2 | 10.1016/j.bmcl.2004.03.031 | |||
| 44330598 | 207638 | 0 | None | 8 | 2 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 467 | 7 | 0 | 7 | 3.3 | COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C=C/c4cccc(F)c4)CC3)[C@@H]1CO2 | 10.1016/j.bmcl.2004.03.031 | |||
| CHEMBL95218 | 207638 | 0 | None | 8 | 2 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 467 | 7 | 0 | 7 | 3.3 | COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C=C/c4cccc(F)c4)CC3)[C@@H]1CO2 | 10.1016/j.bmcl.2004.03.031 | |||
| 108094 | 3423 | 27 | None | -2 | 4 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 234 | 2 | 1 | 5 | 0.8 | COC1(COc2c(O1)cccc2)C1=NCCN1 | 10.1021/jm800250z | |||
| 526 | 3423 | 27 | None | -2 | 4 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 234 | 2 | 1 | 5 | 0.8 | COC1(COc2c(O1)cccc2)C1=NCCN1 | 10.1021/jm800250z | |||
| 528 | 3423 | 27 | None | -2 | 4 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 234 | 2 | 1 | 5 | 0.8 | COC1(COc2c(O1)cccc2)C1=NCCN1 | 10.1021/jm800250z | |||
| CHEMBL10332 | 3423 | 27 | None | -2 | 4 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 234 | 2 | 1 | 5 | 0.8 | COC1(COc2c(O1)cccc2)C1=NCCN1 | 10.1021/jm800250z | |||
| 499 | 4077 | 18 | None | -3 | 14 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(c1OCCNCC1COc2c(O1)cccc2)OC | 10.1021/jm00018a001 | |||
| 5685 | 4077 | 18 | None | -3 | 14 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(c1OCCNCC1COc2c(O1)cccc2)OC | 10.1021/jm00018a001 | |||
| CHEMBL25554 | 4077 | 18 | None | -3 | 14 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(c1OCCNCC1COc2c(O1)cccc2)OC | 10.1021/jm00018a001 | |||
| 44579229 | 189616 | 0 | None | 6 | 3 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 468 | 10 | 1 | 7 | 2.8 | CCCCOc1ncccc1C(=O)NCCN1CCCN(CC2COc3ccccc3O2)CC1 | 10.1016/j.bmcl.2008.08.055 | |||
| CHEMBL514837 | 189616 | 0 | None | 6 | 3 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 468 | 10 | 1 | 7 | 2.8 | CCCCOc1ncccc1C(=O)NCCN1CCCN(CC2COc3ccccc3O2)CC1 | 10.1016/j.bmcl.2008.08.055 | |||
| 44579187 | 189679 | 0 | None | 25 | 3 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 513 | 8 | 1 | 8 | 3.3 | N#Cc1cccc(Oc2ncccc2C(=O)NCCN2CCCN(CC3COc4ccccc4O3)CC2)c1 | 10.1016/j.bmcl.2008.08.055 | |||
| CHEMBL515331 | 189679 | 0 | None | 25 | 3 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 513 | 8 | 1 | 8 | 3.3 | N#Cc1cccc(Oc2ncccc2C(=O)NCCN2CCCN(CC3COc4ccccc4O3)CC2)c1 | 10.1016/j.bmcl.2008.08.055 | |||
| 44438167 | 148970 | 0 | None | 52 | 3 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 505 | 7 | 1 | 7 | 3.8 | COc1cc2c(cc1OC)CN(Cc1ccc(OC)c3oc(C(=O)NC4CN5CCC4CC5)cc13)CC2 | 10.1016/j.bmcl.2006.12.094 | |||
| CHEMBL394218 | 148970 | 0 | None | 52 | 3 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 505 | 7 | 1 | 7 | 3.8 | COc1cc2c(cc1OC)CN(Cc1ccc(OC)c3oc(C(=O)NC4CN5CCC4CC5)cc13)CC2 | 10.1016/j.bmcl.2006.12.094 | |||
| 102 | 4127 | 48 | None | -2 | 49 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | 10.1021/acs.jmedchem.9b01465 | |||
| 3659 | 4127 | 48 | None | -2 | 49 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | 10.1021/acs.jmedchem.9b01465 | |||
| 8969 | 4127 | 48 | None | -2 | 49 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | 10.1021/acs.jmedchem.9b01465 | |||
| CHEMBL15245 | 4127 | 48 | None | -2 | 49 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | 10.1021/acs.jmedchem.9b01465 | |||
| DB01392 | 4127 | 48 | None | -2 | 49 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | 10.1021/acs.jmedchem.9b01465 | |||
| 10028898 | 111655 | 0 | None | 11 | 2 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 499 | 7 | 0 | 7 | 3.8 | COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C=C(\C)c4ccc(F)cc4F)CC3)[C@@H]1CO2 | 10.1016/j.bmcl.2004.03.031 | |||
| CHEMBL328631 | 111655 | 0 | None | 11 | 2 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 499 | 7 | 0 | 7 | 3.8 | COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C=C(\C)c4ccc(F)cc4F)CC3)[C@@H]1CO2 | 10.1016/j.bmcl.2004.03.031 | |||
| 44324737 | 207238 | 0 | None | 2 | 5 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 473 | 6 | 0 | 7 | 3.8 | COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(Cc4ccc5ccccc5c4)CC3)[C@@H]1CO2 | 10.1016/s0960-894x(03)00525-0 | |||
| CHEMBL92860 | 207238 | 0 | None | 2 | 5 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 473 | 6 | 0 | 7 | 3.8 | COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(Cc4ccc5ccccc5c4)CC3)[C@@H]1CO2 | 10.1016/s0960-894x(03)00525-0 | |||
| 44324737 | 207238 | 0 | None | 2 | 5 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 473 | 6 | 0 | 7 | 3.8 | COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(Cc4ccc5ccccc5c4)CC3)[C@@H]1CO2 | 10.1021/jm049619s | |||
| CHEMBL92860 | 207238 | 0 | None | 2 | 5 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 473 | 6 | 0 | 7 | 3.8 | COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(Cc4ccc5ccccc5c4)CC3)[C@@H]1CO2 | 10.1021/jm049619s | |||
| 102 | 4127 | 48 | None | -2 | 49 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | 10.1016/j.bmcl.2005.03.116 | |||
| 3659 | 4127 | 48 | None | -2 | 49 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | 10.1016/j.bmcl.2005.03.116 | |||
| 8969 | 4127 | 48 | None | -2 | 49 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | 10.1016/j.bmcl.2005.03.116 | |||
| CHEMBL15245 | 4127 | 48 | None | -2 | 49 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | 10.1016/j.bmcl.2005.03.116 | |||
| DB01392 | 4127 | 48 | None | -2 | 49 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | 10.1016/j.bmcl.2005.03.116 | |||
| 25110718 | 193309 | 0 | None | 16 | 3 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 488 | 8 | 1 | 7 | 3.5 | O=C(NCCN1CCCN(C[C@H]2COc3ccccc3O2)CC1)c1cccnc1Oc1ccccc1 | 10.1016/j.bmcl.2008.08.055 | |||
| CHEMBL524153 | 193309 | 0 | None | 16 | 3 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 488 | 8 | 1 | 7 | 3.5 | O=C(NCCN1CCCN(C[C@H]2COc3ccccc3O2)CC1)c1cccnc1Oc1ccccc1 | 10.1016/j.bmcl.2008.08.055 | |||
| 44330857 | 4394 | 0 | None | 5 | 2 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 493 | 8 | 0 | 8 | 3.5 | COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C=C(\C)c4ccccc4OC)CC3)[C@@H]1CO2 | 10.1016/j.bmcl.2004.03.031 | |||
| CHEMBL101361 | 4394 | 0 | None | 5 | 2 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 493 | 8 | 0 | 8 | 3.5 | COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C=C(\C)c4ccccc4OC)CC3)[C@@H]1CO2 | 10.1016/j.bmcl.2004.03.031 | |||
| 136019934 | 144530 | 0 | None | 7 | 3 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 462 | 7 | 1 | 7 | 3.6 | COc1cc2c(cc1OC)C1=NOC(CN3CCN(C/C(C)=C/c4ccccc4)CC3)C1CN2 | 10.1016/j.bmc.2007.03.053 | |||
| CHEMBL390718 | 144530 | 0 | None | 7 | 3 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 462 | 7 | 1 | 7 | 3.6 | COc1cc2c(cc1OC)C1=NOC(CN3CCN(C/C(C)=C/c4ccccc4)CC3)C1CN2 | 10.1016/j.bmc.2007.03.053 | |||
| 124 | 2981 | 47 | None | -60 | 33 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | 10.1016/j.bmcl.2013.12.024 | |||
| 2032 | 2981 | 47 | None | -60 | 33 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | 10.1016/j.bmcl.2013.12.024 | |||
| 4636 | 2981 | 47 | None | -60 | 33 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | 10.1016/j.bmcl.2013.12.024 | |||
| CHEMBL762 | 2981 | 47 | None | -60 | 33 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | 10.1016/j.bmcl.2013.12.024 | |||
| DB00935 | 2981 | 47 | None | -60 | 33 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | 10.1016/j.bmcl.2013.12.024 | |||
| 136 | 3292 | 32 | None | 3 | 15 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@@H]1[C@@H](O)CC[C@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | 10.1021/jm00019a001 | |||
| 223 | 3292 | 32 | None | 3 | 15 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@@H]1[C@@H](O)CC[C@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | 10.1021/jm00019a001 | |||
| 643606 | 3292 | 32 | None | 3 | 15 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@@H]1[C@@H](O)CC[C@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | 10.1021/jm00019a001 | |||
| CHEMBL10347 | 3292 | 32 | None | 3 | 15 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@@H]1[C@@H](O)CC[C@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | 10.1021/jm00019a001 | |||
| 44402346 | 132739 | 0 | None | - | 1 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 530 | 7 | 4 | 5 | 3.9 | O=C(NCCCNC(=O)[C@@H]1C2C[C@H]3c4[nH]c5ccccc5c4CCN3C[C@@H]2CC[C@@H]1O)OCc1ccccc1 | 10.1016/j.bmcl.2005.03.116 | |||
| CHEMBL369938 | 132739 | 0 | None | - | 1 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 530 | 7 | 4 | 5 | 3.9 | O=C(NCCCNC(=O)[C@@H]1C2C[C@H]3c4[nH]c5ccccc5c4CCN3C[C@@H]2CC[C@@H]1O)OCc1ccccc1 | 10.1016/j.bmcl.2005.03.116 | |||
| 135398737 | 958 | 93 | None | -3 | 89 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | nan | |||
| 38 | 958 | 93 | None | -3 | 89 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | nan | |||
| 722 | 958 | 93 | None | -3 | 89 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | nan | |||
| CHEMBL42 | 958 | 93 | None | -3 | 89 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | nan | |||
| DB00363 | 958 | 93 | None | -3 | 89 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | nan | |||
| 52950140 | 17158 | 0 | None | -1 | 4 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 224 | 1 | 1 | 1 | 3.0 | CC1(C)[C@@H]2c3ccccc3C[C@@]21c1c[nH]cn1 | 10.1021/jm1006269 | |||
| CHEMBL1255770 | 17158 | 0 | None | -1 | 4 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 224 | 1 | 1 | 1 | 3.0 | CC1(C)[C@@H]2c3ccccc3C[C@@]21c1c[nH]cn1 | 10.1021/jm1006269 | |||
| 107715 | 200945 | 22 | None | -7 | 19 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 611 | 5 | 3 | 6 | 2.7 | CC(C)[C@@]1(NC(=O)[C@@H]2C[C@@H]3c4cccc5[nH]cc(c45)C[C@H]3N(C)C2)O[C@@]2(O)[C@@H]3CCCN3C(=O)[C@H](Cc3ccccc3)N2C1=O | nan | |||
| CHEMBL1255837 | 200945 | 22 | None | -7 | 19 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 611 | 5 | 3 | 6 | 2.7 | CC(C)[C@@]1(NC(=O)[C@@H]2C[C@@H]3c4cccc5[nH]cc(c45)C[C@H]3N(C)C2)O[C@@]2(O)[C@@H]3CCCN3C(=O)[C@H](Cc3ccccc3)N2C1=O | nan | |||
| CHEMBL601773 | 200945 | 22 | None | -7 | 19 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 611 | 5 | 3 | 6 | 2.7 | CC(C)[C@@]1(NC(=O)[C@@H]2C[C@@H]3c4cccc5[nH]cc(c45)C[C@H]3N(C)C2)O[C@@]2(O)[C@@H]3CCCN3C(=O)[C@H](Cc3ccccc3)N2C1=O | nan | |||
| 49781223 | 17252 | 0 | None | -2 | 4 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 224 | 2 | 1 | 1 | 3.3 | CC[C@H]1c2ccccc2[C@H]2C[C@@]12c1c[nH]cn1 | 10.1021/jm1006269 | |||
| CHEMBL1256610 | 17252 | 0 | None | -2 | 4 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 224 | 2 | 1 | 1 | 3.3 | CC[C@H]1c2ccccc2[C@H]2C[C@@]12c1c[nH]cn1 | 10.1021/jm1006269 | |||
| 2389 | 3331 | 118 | None | -10 | 67 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | nan | |||
| 5073 | 3331 | 118 | None | -10 | 67 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | nan | |||
| 96 | 3331 | 118 | None | -10 | 67 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | nan | |||
| CHEMBL85 | 3331 | 118 | None | -10 | 67 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | nan | |||
| DB00734 | 3331 | 118 | None | -10 | 67 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | nan | |||
| 10824121 | 120481 | 1 | None | - | 1 | Rat | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 242 | 2 | 1 | 2 | 2.8 | Brc1csc(Cc2c[nH]cn2)c1 | 10.1021/jm0003891 | |||
| CHEMBL1203852 | 120481 | 1 | None | - | 1 | Rat | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 242 | 2 | 1 | 2 | 2.8 | Brc1csc(Cc2c[nH]cn2)c1 | 10.1021/jm0003891 | |||
| CHEMBL354272 | 120481 | 1 | None | - | 1 | Rat | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 242 | 2 | 1 | 2 | 2.8 | Brc1csc(Cc2c[nH]cn2)c1 | 10.1021/jm0003891 | |||
| 44324800 | 206948 | 0 | None | 5 | 7 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 463 | 7 | 0 | 7 | 3.5 | COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C(C)=C/c4ccccc4)CC3)[C@@H]1CO2 | 10.1016/s0960-894x(03)00525-0 | |||
| CHEMBL91157 | 206948 | 0 | None | 5 | 7 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 463 | 7 | 0 | 7 | 3.5 | COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C(C)=C/c4ccccc4)CC3)[C@@H]1CO2 | 10.1016/s0960-894x(03)00525-0 | |||
| 49781224 | 17143 | 0 | None | -1 | 4 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 238 | 3 | 1 | 1 | 3.7 | CCC[C@H]1c2ccccc2[C@H]2C[C@@]12c1c[nH]cn1 | 10.1021/jm1006269 | |||
| CHEMBL1255616 | 17143 | 0 | None | -1 | 4 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 238 | 3 | 1 | 1 | 3.7 | CCC[C@H]1c2ccccc2[C@H]2C[C@@]12c1c[nH]cn1 | 10.1021/jm1006269 | |||
| 10531 | 1420 | 21 | None | -9 | 23 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 583 | 4 | 3 | 6 | 2.1 | CN1C[C@@H](C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3)C(=O)N[C@]1(C)O[C@@]2(N(C1=O)[C@@H](Cc1ccccc1)C(=O)N1[C@H]2CCC1)O | nan | |||
| 121 | 1420 | 21 | None | -9 | 23 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 583 | 4 | 3 | 6 | 2.1 | CN1C[C@@H](C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3)C(=O)N[C@]1(C)O[C@@]2(N(C1=O)[C@@H](Cc1ccccc1)C(=O)N1[C@H]2CCC1)O | nan | |||
| 888 | 1420 | 21 | None | -9 | 23 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 583 | 4 | 3 | 6 | 2.1 | CN1C[C@@H](C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3)C(=O)N[C@]1(C)O[C@@]2(N(C1=O)[C@@H](Cc1ccccc1)C(=O)N1[C@H]2CCC1)O | nan | |||
| CHEMBL1732 | 1420 | 21 | None | -9 | 23 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 583 | 4 | 3 | 6 | 2.1 | CN1C[C@@H](C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3)C(=O)N[C@]1(C)O[C@@]2(N(C1=O)[C@@H](Cc1ccccc1)C(=O)N1[C@H]2CCC1)O | nan | |||
| DB00320 | 1420 | 21 | None | -9 | 23 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 583 | 4 | 3 | 6 | 2.1 | CN1C[C@@H](C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3)C(=O)N[C@]1(C)O[C@@]2(N(C1=O)[C@@H](Cc1ccccc1)C(=O)N1[C@H]2CCC1)O | nan | |||
| 49781007 | 17241 | 0 | None | 2 | 4 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 254 | 4 | 1 | 2 | 3.3 | CCCO[C@H]1c2ccccc2[C@H]2C[C@@]12c1c[nH]cn1 | 10.1021/jm1006269 | |||
| CHEMBL1256566 | 17241 | 0 | None | 2 | 4 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 254 | 4 | 1 | 2 | 3.3 | CCCO[C@H]1c2ccccc2[C@H]2C[C@@]12c1c[nH]cn1 | 10.1021/jm1006269 | |||
| 44324937 | 206913 | 0 | None | -1 | 3 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 389 | 5 | 0 | 5 | 3.1 | C(=C/c1ccccc1)\CN1CCN(CC2ON=C3c4ccccc4OCC32)CC1 | 10.1016/s0960-894x(03)00525-0 | |||
| CHEMBL90943 | 206913 | 0 | None | -1 | 3 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 389 | 5 | 0 | 5 | 3.1 | C(=C/c1ccccc1)\CN1CCN(CC2ON=C3c4ccccc4OCC32)CC1 | 10.1016/s0960-894x(03)00525-0 | |||
| 1043 | 1582 | 14 | None | -19 | 28 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 581 | 4 | 3 | 6 | 2.0 | O=C([C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)N[C@]1(C)O[C@@]2(N(C1=O)[C@@H](Cc1ccccc1)C(=O)N1[C@H]2CCC1)O | nan | |||
| 149 | 1582 | 14 | None | -19 | 28 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 581 | 4 | 3 | 6 | 2.0 | O=C([C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)N[C@]1(C)O[C@@]2(N(C1=O)[C@@H](Cc1ccccc1)C(=O)N1[C@H]2CCC1)O | nan | |||
| 8223 | 1582 | 14 | None | -19 | 28 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 581 | 4 | 3 | 6 | 2.0 | O=C([C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)N[C@]1(C)O[C@@]2(N(C1=O)[C@@H](Cc1ccccc1)C(=O)N1[C@H]2CCC1)O | nan | |||
| CHEMBL442 | 1582 | 14 | None | -19 | 28 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 581 | 4 | 3 | 6 | 2.0 | O=C([C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)N[C@]1(C)O[C@@]2(N(C1=O)[C@@H](Cc1ccccc1)C(=O)N1[C@H]2CCC1)O | nan | |||
| DB00696 | 1582 | 14 | None | -19 | 28 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 581 | 4 | 3 | 6 | 2.0 | O=C([C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)N[C@]1(C)O[C@@]2(N(C1=O)[C@@H](Cc1ccccc1)C(=O)N1[C@H]2CCC1)O | nan | |||
| 44579272 | 187095 | 0 | None | 5 | 3 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 499 | 7 | 0 | 9 | 4.3 | c1ccc(Oc2ncccc2-c2noc(CN3CCCN(CC4COc5ccccc5O4)CC3)n2)cc1 | 10.1016/j.bmcl.2008.08.055 | |||
| CHEMBL491420 | 187095 | 0 | None | 5 | 3 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 499 | 7 | 0 | 9 | 4.3 | c1ccc(Oc2ncccc2-c2noc(CN3CCCN(CC4COc5ccccc5O4)CC3)n2)cc1 | 10.1016/j.bmcl.2008.08.055 | |||
| 102 | 4127 | 48 | None | -2 | 49 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | 10.1016/j.bmcl.2006.12.094 | |||
| 3659 | 4127 | 48 | None | -2 | 49 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | 10.1016/j.bmcl.2006.12.094 | |||
| 8969 | 4127 | 48 | None | -2 | 49 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | 10.1016/j.bmcl.2006.12.094 | |||
| CHEMBL15245 | 4127 | 48 | None | -2 | 49 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | 10.1016/j.bmcl.2006.12.094 | |||
| DB01392 | 4127 | 48 | None | -2 | 49 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | 10.1016/j.bmcl.2006.12.094 | |||
| 56944383 | 112119 | 0 | None | -3 | 12 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 487 | 8 | 1 | 6 | 5.1 | O=S(=O)(NCCCCN1CCC(c2noc3cc(F)ccc23)CC1)c1cc2ccccc2s1 | 10.1021/jm401895u | |||
| CHEMBL3290012 | 112119 | 0 | None | -3 | 12 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 487 | 8 | 1 | 6 | 5.1 | O=S(=O)(NCCCCN1CCC(c2noc3cc(F)ccc23)CC1)c1cc2ccccc2s1 | 10.1021/jm401895u | |||
| 44324906 | 206787 | 0 | None | -3 | 3 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 419 | 6 | 0 | 6 | 3.1 | COc1ccc2c(c1)OCC1C2=NOC1CN1CCN(C/C=C/c2ccccc2)CC1 | 10.1016/s0960-894x(03)00525-0 | |||
| CHEMBL90247 | 206787 | 0 | None | -3 | 3 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 419 | 6 | 0 | 6 | 3.1 | COc1ccc2c(c1)OCC1C2=NOC1CN1CCN(C/C=C/c2ccccc2)CC1 | 10.1016/s0960-894x(03)00525-0 | |||
| 44324725 | 206817 | 0 | None | 13 | 3 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 451 | 8 | 0 | 7 | 3.1 | COc1cc2c(cc1OC)C1=NOC(CN3CCN(CCCc4ccccc4)CC3)C1CO2 | 10.1016/s0960-894x(03)00525-0 | |||
| CHEMBL90419 | 206817 | 0 | None | 13 | 3 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 451 | 8 | 0 | 7 | 3.1 | COc1cc2c(cc1OC)C1=NOC(CN3CCN(CCCc4ccccc4)CC3)C1CO2 | 10.1016/s0960-894x(03)00525-0 | |||
| 49781005 | 17214 | 0 | None | -3 | 4 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 226 | 2 | 1 | 2 | 2.5 | CO[C@H]1c2ccccc2[C@H]2C[C@@]12c1c[nH]cn1 | 10.1021/jm1006269 | |||
| CHEMBL1256503 | 17214 | 0 | None | -3 | 4 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 226 | 2 | 1 | 2 | 2.5 | CO[C@H]1c2ccccc2[C@H]2C[C@@]12c1c[nH]cn1 | 10.1021/jm1006269 | |||
| 2389 | 3331 | 118 | None | -10 | 67 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | 10.1039/C2MD00311B | |||
| 5073 | 3331 | 118 | None | -10 | 67 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | 10.1039/C2MD00311B | |||
| 96 | 3331 | 118 | None | -10 | 67 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | 10.1039/C2MD00311B | |||
| CHEMBL85 | 3331 | 118 | None | -10 | 67 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | 10.1039/C2MD00311B | |||
| DB00734 | 3331 | 118 | None | -10 | 67 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | 10.1039/C2MD00311B | |||
| 16655023 | 107441 | 2 | None | 5 | 7 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 481 | 7 | 0 | 7 | 3.7 | COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C(C)=C/c4ccc(F)cc4)CC3)[C@@H]1CO2 | 10.1016/j.bmc.2007.03.053 | |||
| CHEMBL318235 | 107441 | 2 | None | 5 | 7 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 481 | 7 | 0 | 7 | 3.7 | COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C(C)=C/c4ccc(F)cc4)CC3)[C@@H]1CO2 | 10.1016/j.bmc.2007.03.053 | |||
| 44330621 | 4402 | 0 | None | 6 | 2 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 483 | 7 | 0 | 7 | 3.8 | COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C=C/c4ccc(Cl)cc4)CC3)[C@@H]1CO2 | 10.1016/j.bmcl.2004.03.031 | |||
| CHEMBL101411 | 4402 | 0 | None | 6 | 2 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 483 | 7 | 0 | 7 | 3.8 | COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C=C/c4ccc(Cl)cc4)CC3)[C@@H]1CO2 | 10.1016/j.bmcl.2004.03.031 | |||
| 44324972 | 163372 | 0 | None | 2 | 4 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 463 | 7 | 0 | 7 | 3.5 | COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C=C(\C)c4ccccc4)CC3)[C@@H]1CO2 | 10.1016/s0960-894x(03)00525-0 | |||
| CHEMBL419316 | 163372 | 0 | None | 2 | 4 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 463 | 7 | 0 | 7 | 3.5 | COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C=C(\C)c4ccccc4)CC3)[C@@H]1CO2 | 10.1016/s0960-894x(03)00525-0 | |||
| 49781006 | 17240 | 0 | None | -3 | 4 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 240 | 3 | 1 | 2 | 2.9 | CCO[C@H]1c2ccccc2[C@H]2C[C@@]12c1c[nH]cn1 | 10.1021/jm1006269 | |||
| CHEMBL1256565 | 17240 | 0 | None | -3 | 4 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 240 | 3 | 1 | 2 | 2.9 | CCO[C@H]1c2ccccc2[C@H]2C[C@@]12c1c[nH]cn1 | 10.1021/jm1006269 | |||
| 441082 | 1163 | 48 | None | -2 | 8 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 356 | 1 | 0 | 2 | 4.8 | CN([C@H]1CC[C@]2(C(=CC[C@@H]3[C@@H]2CC[C@]24[C@H]3CC[C@@H]4[C@@H](N(C2)C)C)C1)C)C | 10.1021/jm8003625 | |||
| 8981 | 1163 | 48 | None | -2 | 8 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 356 | 1 | 0 | 2 | 4.8 | CN([C@H]1CC[C@]2(C(=CC[C@@H]3[C@@H]2CC[C@]24[C@H]3CC[C@@H]4[C@@H](N(C2)C)C)C1)C)C | 10.1021/jm8003625 | |||
| CHEMBL191703 | 1163 | 48 | None | -2 | 8 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 356 | 1 | 0 | 2 | 4.8 | CN([C@H]1CC[C@]2(C(=CC[C@@H]3[C@@H]2CC[C@]24[C@H]3CC[C@@H]4[C@@H](N(C2)C)C)C1)C)C | 10.1021/jm8003625 | |||
| 441082 | 1163 | 48 | None | -2 | 8 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 356 | 1 | 0 | 2 | 4.8 | CN([C@H]1CC[C@]2(C(=CC[C@@H]3[C@@H]2CC[C@]24[C@H]3CC[C@@H]4[C@@H](N(C2)C)C)C1)C)C | 10.1021/jm8003625 | |||
| 8981 | 1163 | 48 | None | -2 | 8 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 356 | 1 | 0 | 2 | 4.8 | CN([C@H]1CC[C@]2(C(=CC[C@@H]3[C@@H]2CC[C@]24[C@H]3CC[C@@H]4[C@@H](N(C2)C)C)C1)C)C | 10.1021/jm8003625 | |||
| CHEMBL191703 | 1163 | 48 | None | -2 | 8 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 356 | 1 | 0 | 2 | 4.8 | CN([C@H]1CC[C@]2(C(=CC[C@@H]3[C@@H]2CC[C@]24[C@H]3CC[C@@H]4[C@@H](N(C2)C)C)C1)C)C | 10.1021/jm8003625 | |||
| 10707358 | 179285 | 0 | None | -7 | 3 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 272 | 4 | 1 | 3 | 3.2 | c1ccc(CC[C@H]2CCCC[C@@H]2NC2=NCCO2)cc1 | 10.1021/jm9905256 | |||
| CHEMBL47313 | 179285 | 0 | None | -7 | 3 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 272 | 4 | 1 | 3 | 3.2 | c1ccc(CC[C@H]2CCCC[C@@H]2NC2=NCCO2)cc1 | 10.1021/jm9905256 | |||
| 242 | 470 | 124 | None | -23 | 51 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | 10.1039/C2MD00311B | |||
| 34 | 470 | 124 | None | -23 | 51 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | 10.1039/C2MD00311B | |||
| 60795 | 470 | 124 | None | -23 | 51 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | 10.1039/C2MD00311B | |||
| CHEMBL1112 | 470 | 124 | None | -23 | 51 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | 10.1039/C2MD00311B | |||
| DB01238 | 470 | 124 | None | -23 | 51 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | 10.1039/C2MD00311B | |||
| 135398737 | 958 | 93 | None | -3 | 89 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 10.1039/C2MD00311B | |||
| 38 | 958 | 93 | None | -3 | 89 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 10.1039/C2MD00311B | |||
| 722 | 958 | 93 | None | -3 | 89 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 10.1039/C2MD00311B | |||
| CHEMBL42 | 958 | 93 | None | -3 | 89 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 10.1039/C2MD00311B | |||
| DB00363 | 958 | 93 | None | -3 | 89 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 10.1039/C2MD00311B | |||
| 135398745 | 2914 | 112 | None | -30 | 65 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | 10.1039/C2MD00311B | |||
| 47 | 2914 | 112 | None | -30 | 65 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | 10.1039/C2MD00311B | |||
| CHEMBL715 | 2914 | 112 | None | -30 | 65 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | 10.1039/C2MD00311B | |||
| DB00334 | 2914 | 112 | None | -30 | 65 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | 10.1039/C2MD00311B | |||
| 2337 | 3256 | 77 | None | -10 | 62 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | 10.1039/C2MD00311B | |||
| 50 | 3256 | 77 | None | -10 | 62 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | 10.1039/C2MD00311B | |||
| 5002 | 3256 | 77 | None | -10 | 62 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | 10.1039/C2MD00311B | |||
| CHEMBL716 | 3256 | 77 | None | -10 | 62 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | 10.1039/C2MD00311B | |||
| DB01224 | 3256 | 77 | None | -10 | 62 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | 10.1039/C2MD00311B | |||
| 16090600 | 169181 | 0 | None | 10 | 3 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 360 | 6 | 2 | 4 | 5.1 | Cc1nc2ccccc2c(Nc2ccc(NCCN3CCCC3)cc2)c1C | 10.1016/j.ejmech.2010.12.026 | |||
| CHEMBL440594 | 169181 | 0 | None | 10 | 3 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 360 | 6 | 2 | 4 | 5.1 | Cc1nc2ccccc2c(Nc2ccc(NCCN3CCCC3)cc2)c1C | 10.1016/j.ejmech.2010.12.026 | |||
| 9982218 | 101764 | 6 | None | -12 | 6 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 471 | 9 | 2 | 5 | 4.1 | O=[N+]([O-])c1ccccc1S(=O)(=O)NC[C@H]1CC[C@H](CNCC2CCc3ccccc3C2)CC1 | 10.1016/s0960-894x(02)00287-1 | |||
| CHEMBL1435188 | 101764 | 6 | None | -12 | 6 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 471 | 9 | 2 | 5 | 4.1 | O=[N+]([O-])c1ccccc1S(=O)(=O)NC[C@H]1CC[C@H](CNCC2CCc3ccccc3C2)CC1 | 10.1016/s0960-894x(02)00287-1 | |||
| CHEMBL299879 | 101764 | 6 | None | -12 | 6 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 471 | 9 | 2 | 5 | 4.1 | O=[N+]([O-])c1ccccc1S(=O)(=O)NC[C@H]1CC[C@H](CNCC2CCc3ccccc3C2)CC1 | 10.1016/s0960-894x(02)00287-1 | |||
| 16090600 | 169181 | 0 | None | 10 | 3 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 360 | 6 | 2 | 4 | 5.1 | Cc1nc2ccccc2c(Nc2ccc(NCCN3CCCC3)cc2)c1C | 10.1021/jm060262x | |||
| CHEMBL440594 | 169181 | 0 | None | 10 | 3 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 360 | 6 | 2 | 4 | 5.1 | Cc1nc2ccccc2c(Nc2ccc(NCCN3CCCC3)cc2)c1C | 10.1021/jm060262x | |||
| 10793665 | 106952 | 0 | None | -562 | 6 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 597 | 9 | 2 | 5 | 7.2 | CO/C(O)=C1\C(C)=NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc(Cl)cc1 | 10.1021/jm980077m | |||
| CHEMBL314960 | 106952 | 0 | None | -562 | 6 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 597 | 9 | 2 | 5 | 7.2 | CO/C(O)=C1\C(C)=NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc(Cl)cc1 | 10.1021/jm980077m | |||
| 42574 | 15287 | 90 | None | -18 | 3 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 662 | 4 | 2 | 3 | 7.1 | Cc1cc(C(C#N)c2ccc(Cl)cc2)c(Cl)cc1NC(=O)c1cc(I)cc(I)c1O | nan | |||
| CHEMBL12131 | 15287 | 90 | None | -18 | 3 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 662 | 4 | 2 | 3 | 7.1 | Cc1cc(C(C#N)c2ccc(Cl)cc2)c(Cl)cc1NC(=O)c1cc(I)cc(I)c1O | nan | |||
| 153287553 | 171104 | 0 | None | -158 | 6 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 264 | 1 | 1 | 2 | 3.7 | C[C@@]12CN(c3ccccc3)c3ccccc3[C@@H]1CCN2 | 10.1021/acsmedchemlett.9b00225 | |||
| CHEMBL4457754 | 171104 | 0 | None | -158 | 6 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 264 | 1 | 1 | 2 | 3.7 | C[C@@]12CN(c3ccccc3)c3ccccc3[C@@H]1CCN2 | 10.1021/acsmedchemlett.9b00225 | |||
| 2719 | 917 | 74 | None | -6 | 11 | Human | 5.0 | pKi | = | 5 | Binding | ChEMBL | 319 | 8 | 1 | 3 | 4.8 | CCN(CCCC(Nc1ccnc2c1ccc(c2)Cl)C)CC | 10.1038/s41586-020-2286-9 | |||
| 5535 | 917 | 74 | None | -6 | 11 | Human | 5.0 | pKi | = | 5 | Binding | ChEMBL | 319 | 8 | 1 | 3 | 4.8 | CCN(CCCC(Nc1ccnc2c1ccc(c2)Cl)C)CC | 10.1038/s41586-020-2286-9 | |||
| 607 | 917 | 74 | None | -6 | 11 | Human | 5.0 | pKi | = | 5 | Binding | ChEMBL | 319 | 8 | 1 | 3 | 4.8 | CCN(CCCC(Nc1ccnc2c1ccc(c2)Cl)C)CC | 10.1038/s41586-020-2286-9 | |||
| CHEMBL76 | 917 | 74 | None | -6 | 11 | Human | 5.0 | pKi | = | 5 | Binding | ChEMBL | 319 | 8 | 1 | 3 | 4.8 | CCN(CCCC(Nc1ccnc2c1ccc(c2)Cl)C)CC | 10.1038/s41586-020-2286-9 | |||
| DB00608 | 917 | 74 | None | -6 | 11 | Human | 5.0 | pKi | = | 5 | Binding | ChEMBL | 319 | 8 | 1 | 3 | 4.8 | CCN(CCCC(Nc1ccnc2c1ccc(c2)Cl)C)CC | 10.1038/s41586-020-2286-9 | |||
| 9817231 | 158236 | 22 | None | -1 | 7 | Human | 5.0 | pKi | = | 5 | Binding | ChEMBL | 282 | 4 | 0 | 3 | 4.1 | CCCN1CCC=C(c2cc(-c3ccc(C)cc3)no2)C1 | 10.1038/s41586-020-2286-9 | |||
| CHEMBL4088272 | 158236 | 22 | None | -1 | 7 | Human | 5.0 | pKi | = | 5 | Binding | ChEMBL | 282 | 4 | 0 | 3 | 4.1 | CCCN1CCC=C(c2cc(-c3ccc(C)cc3)no2)C1 | 10.1038/s41586-020-2286-9 | |||
| 3598 | 187821 | 76 | None | -1 | 7 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 404 | 2 | 2 | 2 | 6.6 | Oc1c(Cl)cc(Cl)c(Cl)c1Cc1c(O)c(Cl)cc(Cl)c1Cl | nan | |||
| CHEMBL496 | 187821 | 76 | None | -1 | 7 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 404 | 2 | 2 | 2 | 6.6 | Oc1c(Cl)cc(Cl)c(Cl)c1Cc1c(O)c(Cl)cc(Cl)c1Cl | nan | |||
| 11801828 | 206544 | 0 | None | -63 | 6 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 606 | 9 | 3 | 6 | 5.0 | CNC(=O)C1=C(C)NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc2c(c1)OCO2 | 10.1021/jm980077m | |||
| CHEMBL88628 | 206544 | 0 | None | -63 | 6 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 606 | 9 | 3 | 6 | 5.0 | CNC(=O)C1=C(C)NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc2c(c1)OCO2 | 10.1021/jm980077m | |||
| 132584404 | 143349 | 0 | None | -2 | 5 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 416 | 3 | 0 | 2 | 6.7 | CCCN1CC[C@H]2c3cc4ccc(C(F)(F)F)cc4nc3[C@H](CC)[C@H]3CCC[C@@H]1[C@@H]32 | 10.1016/j.bmcl.2016.10.065 | |||
| CHEMBL3897499 | 143349 | 0 | None | -2 | 5 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 416 | 3 | 0 | 2 | 6.7 | CCCN1CC[C@H]2c3cc4ccc(C(F)(F)F)cc4nc3[C@H](CC)[C@H]3CCC[C@@H]1[C@@H]32 | 10.1016/j.bmcl.2016.10.065 | |||
| 11333552 | 121715 | 5 | None | - | 1 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 223 | 4 | 1 | 4 | 1.1 | COc1ccccc1OCC1CNCCO1 | 10.1016/j.bmc.2015.01.013 | |||
| CHEMBL3588908 | 121715 | 5 | None | - | 1 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 223 | 4 | 1 | 4 | 1.1 | COc1ccccc1OCC1CNCCO1 | 10.1016/j.bmc.2015.01.013 | |||
| 2351 | 3286 | 64 | None | -4 | 21 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 473 | 7 | 2 | 6 | 6.1 | Oc1ccc2c(c1)sc(c2C(=O)c1ccc(cc1)OCCN1CCCCC1)c1ccc(cc1)O | nan | |||
| 2820 | 3286 | 64 | None | -4 | 21 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 473 | 7 | 2 | 6 | 6.1 | Oc1ccc2c(c1)sc(c2C(=O)c1ccc(cc1)OCCN1CCCCC1)c1ccc(cc1)O | nan | |||
| 5035 | 3286 | 64 | None | -4 | 21 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 473 | 7 | 2 | 6 | 6.1 | Oc1ccc2c(c1)sc(c2C(=O)c1ccc(cc1)OCCN1CCCCC1)c1ccc(cc1)O | nan | |||
| CHEMBL81 | 3286 | 64 | None | -4 | 21 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 473 | 7 | 2 | 6 | 6.1 | Oc1ccc2c(c1)sc(c2C(=O)c1ccc(cc1)OCCN1CCCCC1)c1ccc(cc1)O | nan | |||
| DB00481 | 3286 | 64 | None | -4 | 21 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 473 | 7 | 2 | 6 | 6.1 | Oc1ccc2c(c1)sc(c2C(=O)c1ccc(cc1)OCCN1CCCCC1)c1ccc(cc1)O | nan | |||
| 122180567 | 121711 | 0 | None | - | 1 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 261 | 4 | 1 | 3 | 3.8 | c1cncc(-c2ccccc2NCc2ccncc2)c1 | 10.1016/j.bmc.2015.01.013 | |||
| CHEMBL3588904 | 121711 | 0 | None | - | 1 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 261 | 4 | 1 | 3 | 3.8 | c1cncc(-c2ccccc2NCc2ccncc2)c1 | 10.1016/j.bmc.2015.01.013 | |||
| 11948707 | 166167 | 0 | None | -269 | 13 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 373 | 7 | 0 | 8 | 0.6 | COc1cccc(N2CCN(CCCCn3ncc(=O)n(C)c3=O)CC2)c1 | 10.1016/j.bmcl.2006.01.052 | |||
| CHEMBL426317 | 166167 | 0 | None | -269 | 13 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 373 | 7 | 0 | 8 | 0.6 | COc1cccc(N2CCN(CCCCn3ncc(=O)n(C)c3=O)CC2)c1 | 10.1016/j.bmcl.2006.01.052 | |||
| 16090635 | 82515 | 0 | None | 5 | 3 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 378 | 4 | 1 | 4 | 4.7 | CCc1c(C)nc2c(c1Nc1ccc(N3CCN(C)C(C)C3)cc1)CCCC2 | 10.1016/j.ejmech.2010.12.026 | |||
| CHEMBL217768 | 82515 | 0 | None | 5 | 3 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 378 | 4 | 1 | 4 | 4.7 | CCc1c(C)nc2c(c1Nc1ccc(N3CCN(C)C(C)C3)cc1)CCCC2 | 10.1016/j.ejmech.2010.12.026 | |||
| 44289035 | 100514 | 0 | None | -575 | 7 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 524 | 7 | 1 | 4 | 4.4 | CC1=C(C(=O)NCCCN2CCC(C#N)(c3ccc(F)cc3)CC2)[C@@H](c2ccc(F)c(F)c2)CC(=O)N1C | 10.1016/s0960-894x(99)00696-4 | |||
| CHEMBL291166 | 100514 | 0 | None | -575 | 7 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 524 | 7 | 1 | 4 | 4.4 | CC1=C(C(=O)NCCCN2CCC(C#N)(c3ccc(F)cc3)CC2)[C@@H](c2ccc(F)c(F)c2)CC(=O)N1C | 10.1016/s0960-894x(99)00696-4 | |||
| 127036186 | 137414 | 0 | None | -34 | 19 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 254 | 7 | 1 | 1 | 3.7 | C=CCN(CC=C)CCc1c[nH]c2ccc(C)cc12 | 10.1016/j.bmcl.2015.12.053 | |||
| CHEMBL3753318 | 137414 | 0 | None | -34 | 19 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 254 | 7 | 1 | 1 | 3.7 | C=CCN(CC=C)CCc1c[nH]c2ccc(C)cc12 | 10.1016/j.bmcl.2015.12.053 | |||
| 44210114 | 192716 | 19 | None | -6 | 3 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 492 | 5 | 0 | 6 | 4.3 | O=C1C2C3CCC(C3)C2C(=O)N1CC1CCCCC1CN1CCN(c2nsc3ccccc23)CC1 | 10.1016/j.bmcl.2021.128275 | |||
| CHEMBL5219924 | 192716 | 19 | None | -6 | 3 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 492 | 5 | 0 | 6 | 4.3 | O=C1C2C3CCC(C3)C2C(=O)N1CC1CCCCC1CN1CCN(c2nsc3ccccc23)CC1 | 10.1016/j.bmcl.2021.128275 | |||
| 11293787 | 148213 | 0 | None | 27 | 3 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 447 | 6 | 0 | 5 | 5.8 | COc1cc2c(cc1OC)CN(Cc1ccc(OC)c3oc(-c4ccccc4F)cc13)CC2 | 10.1016/j.bmcl.2006.12.094 | |||
| CHEMBL393597 | 148213 | 0 | None | 27 | 3 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 447 | 6 | 0 | 5 | 5.8 | COc1cc2c(cc1OC)CN(Cc1ccc(OC)c3oc(-c4ccccc4F)cc13)CC2 | 10.1016/j.bmcl.2006.12.094 | |||
| 1393724 | 121903 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 222 | 3 | 1 | 2 | 2.7 | N#Cc1cccc(-c2ccccc2CCN)c1 | 10.1016/j.bmc.2015.01.013 | |||
| CHEMBL3590203 | 121903 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 222 | 3 | 1 | 2 | 2.7 | N#Cc1cccc(-c2ccccc2CCN)c1 | 10.1016/j.bmc.2015.01.013 | |||
| 16090635 | 82515 | 0 | None | 5 | 3 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 378 | 4 | 1 | 4 | 4.7 | CCc1c(C)nc2c(c1Nc1ccc(N3CCN(C)C(C)C3)cc1)CCCC2 | 10.1021/jm060262x | |||
| CHEMBL217768 | 82515 | 0 | None | 5 | 3 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 378 | 4 | 1 | 4 | 4.7 | CCc1c(C)nc2c(c1Nc1ccc(N3CCN(C)C(C)C3)cc1)CCCC2 | 10.1021/jm060262x | |||
| 46869265 | 16257 | 0 | None | -5 | 7 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 295 | 1 | 3 | 3 | 3.1 | Oc1ccc2c(c1O)C[C@@H](c1ccccc1)[C@@H]1CCNC[C@@H]21 | 10.1016/j.bmc.2010.07.052 | |||
| CHEMBL1224527 | 16257 | 0 | None | -5 | 7 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 295 | 1 | 3 | 3 | 3.1 | Oc1ccc2c(c1O)C[C@@H](c1ccccc1)[C@@H]1CCNC[C@@H]21 | 10.1016/j.bmc.2010.07.052 | |||
| CHEMBL5274312 | 193809 | 0 | None | 1 | 5 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 383 | 4 | 0 | 3 | 5.0 | CC[Si](C#Cc1cccc2c1OC(C(F)(F)F)C([N+](=O)[O-])=C2)(CC)CC | 10.1016/j.bmcl.2022.128981 | |||
| 10489502 | 4518 | 2 | None | -11 | 3 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 227 | 2 | 2 | 2 | 3.5 | Clc1cccc(Cl)c1Nc1ncc[nH]1 | 10.1021/jm9605142 | |||
| CHEMBL1022 | 4518 | 2 | None | -11 | 3 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 227 | 2 | 2 | 2 | 3.5 | Clc1cccc(Cl)c1Nc1ncc[nH]1 | 10.1021/jm9605142 | |||
| 49836307 | 18785 | 0 | None | -1 | 3 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 282 | 4 | 2 | 4 | 2.8 | C[C@H](Oc1ccccc1-c1cccc(O)c1)C1=NCCN1 | 10.1021/jm100977d | |||
| CHEMBL1278085 | 18785 | 0 | None | -1 | 3 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 282 | 4 | 2 | 4 | 2.8 | C[C@H](Oc1ccccc1-c1cccc(O)c1)C1=NCCN1 | 10.1021/jm100977d | |||
| 240 | 944 | 43 | None | -5 | 24 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 465 | 9 | 2 | 6 | 3.4 | COC1CN(CCCOc2ccc(cc2)F)CCC1NC(=O)c1cc(Cl)c(cc1OC)N | nan | |||
| 2769 | 944 | 43 | None | -5 | 24 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 465 | 9 | 2 | 6 | 3.4 | COC1CN(CCCOc2ccc(cc2)F)CCC1NC(=O)c1cc(Cl)c(cc1OC)N | nan | |||
| 44279790 | 944 | 43 | None | -5 | 24 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 465 | 9 | 2 | 6 | 3.4 | COC1CN(CCCOc2ccc(cc2)F)CCC1NC(=O)c1cc(Cl)c(cc1OC)N | nan | |||
| 660 | 944 | 43 | None | -5 | 24 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 465 | 9 | 2 | 6 | 3.4 | COC1CN(CCCOc2ccc(cc2)F)CCC1NC(=O)c1cc(Cl)c(cc1OC)N | nan | |||
| CHEMBL1729 | 944 | 43 | None | -5 | 24 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 465 | 9 | 2 | 6 | 3.4 | COC1CN(CCCOc2ccc(cc2)F)CCC1NC(=O)c1cc(Cl)c(cc1OC)N | nan | |||
| CHEMBL560739 | 944 | 43 | None | -5 | 24 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 465 | 9 | 2 | 6 | 3.4 | COC1CN(CCCOc2ccc(cc2)F)CCC1NC(=O)c1cc(Cl)c(cc1OC)N | nan | |||
| DB00604 | 944 | 43 | None | -5 | 24 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 465 | 9 | 2 | 6 | 3.4 | COC1CN(CCCOc2ccc(cc2)F)CCC1NC(=O)c1cc(Cl)c(cc1OC)N | nan | |||
| 11386747 | 75491 | 9 | None | -1 | 2 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 513 | 4 | 1 | 5 | 6.4 | CC(=O)Nc1c(C(C)=O)c(=O)n(C)c2nc(-c3ccc(Cl)cc3Cl)c(-c3ccc(Cl)cc3)cc12 | 10.6019/CHEMBL5212743 | |||
| CHEMBL204232 | 75491 | 9 | None | -1 | 2 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 513 | 4 | 1 | 5 | 6.4 | CC(=O)Nc1c(C(C)=O)c(=O)n(C)c2nc(-c3ccc(Cl)cc3Cl)c(-c3ccc(Cl)cc3)cc12 | 10.6019/CHEMBL5212743 | |||
| 11140347 | 204533 | 1 | None | -18 | 6 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 239 | 4 | 2 | 4 | 2.0 | CSc1ccc(F)cc1NCC1=NCCN1 | 10.1021/jm000542r | |||
| CHEMBL72768 | 204533 | 1 | None | -18 | 6 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 239 | 4 | 2 | 4 | 2.0 | CSc1ccc(F)cc1NCC1=NCCN1 | 10.1021/jm000542r | |||
| 71455894 | 83802 | 0 | None | 1 | 12 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 325 | 4 | 1 | 4 | 2.0 | COc1ccc(CN2C3C4C5CC6C7C5C3C7C2(O)C64)cc1OC | 10.1016/j.bmcl.2012.08.046 | |||
| CHEMBL2205827 | 83802 | 0 | None | 1 | 12 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 325 | 4 | 1 | 4 | 2.0 | COc1ccc(CN2C3C4C5CC6C7C5C3C7C2(O)C64)cc1OC | 10.1016/j.bmcl.2012.08.046 | |||
| 71455894 | 83802 | 0 | None | 1 | 12 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 325 | 4 | 1 | 4 | 2.0 | COc1ccc(CN2C3C4C5CC6C7C5C3C7C2(O)C64)cc1OC | 10.1016/j.bmc.2013.07.045 | |||
| CHEMBL2205827 | 83802 | 0 | None | 1 | 12 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 325 | 4 | 1 | 4 | 2.0 | COc1ccc(CN2C3C4C5CC6C7C5C3C7C2(O)C64)cc1OC | 10.1016/j.bmc.2013.07.045 | |||
| 104903 | 56344 | 17 | None | -1 | 6 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 624 | 6 | 0 | 8 | 5.5 | C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)C3=CC[C@]2(C)[C@H]1C(=O)CN1CCN(c2cc(N3CCCC3)nc(N3CCCC3)n2)CC1 | nan | |||
| CHEMBL1630578 | 56344 | 17 | None | -1 | 6 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 624 | 6 | 0 | 8 | 5.5 | C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)C3=CC[C@]2(C)[C@H]1C(=O)CN1CCN(c2cc(N3CCCC3)nc(N3CCCC3)n2)CC1 | nan | |||
| 10841190 | 107042 | 0 | None | -162 | 6 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 593 | 10 | 2 | 6 | 6.5 | CO/C(O)=C1\C(C)=NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc(OC)cc1 | 10.1021/jm980077m | |||
| CHEMBL315538 | 107042 | 0 | None | -162 | 6 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 593 | 10 | 2 | 6 | 6.5 | CO/C(O)=C1\C(C)=NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc(OC)cc1 | 10.1021/jm980077m | |||
| 44311789 | 204735 | 0 | None | 1 | 5 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 345 | 1 | 2 | 5 | 3.1 | Brc1c(NC2=N[C@@H]3CCCC[C@@H]3N2)ccc2nccnc12 | 10.1016/0960-894X(95)00391-6 | |||
| CHEMBL74342 | 204735 | 0 | None | 1 | 5 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 345 | 1 | 2 | 5 | 3.1 | Brc1c(NC2=N[C@@H]3CCCC[C@@H]3N2)ccc2nccnc12 | 10.1016/0960-894X(95)00391-6 | |||
| 10220337 | 200451 | 53 | None | - | 1 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 236 | 2 | 0 | 2 | 2.7 | Brc1cccc(Cn2ccnc2)c1 | 10.1016/j.bmc.2015.01.013 | |||
| CHEMBL598391 | 200451 | 53 | None | - | 1 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 236 | 2 | 0 | 2 | 2.7 | Brc1cccc(Cn2ccnc2)c1 | 10.1016/j.bmc.2015.01.013 | |||
| 2274 | 3173 | 58 | None | -4 | 31 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 373 | 4 | 0 | 4 | 4.6 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(Cl)cc2 | nan | |||
| 4917 | 3173 | 58 | None | -4 | 31 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 373 | 4 | 0 | 4 | 4.6 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(Cl)cc2 | nan | |||
| 7279 | 3173 | 58 | None | -4 | 31 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 373 | 4 | 0 | 4 | 4.6 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(Cl)cc2 | nan | |||
| CHEMBL728 | 3173 | 58 | None | -4 | 31 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 373 | 4 | 0 | 4 | 4.6 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(Cl)cc2 | nan | |||
| DB00433 | 3173 | 58 | None | -4 | 31 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 373 | 4 | 0 | 4 | 4.6 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(Cl)cc2 | nan | |||
| 218362 | 204800 | 5 | None | -5 | 4 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 216 | 1 | 1 | 3 | 2.0 | c1ccc2c(c1)CCCC2NC1=NCCO1 | 10.1016/0960-894X(94)85032-1 | |||
| CHEMBL75030 | 204800 | 5 | None | -5 | 4 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 216 | 1 | 1 | 3 | 2.0 | c1ccc2c(c1)CCCC2NC1=NCCO1 | 10.1016/0960-894X(94)85032-1 | |||
| 68712 | 100338 | 60 | None | -1 | 5 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 180 | 3 | 1 | 3 | 1.2 | C1COC(NC(C2CC2)C2CC2)=N1 | 10.1016/j.bmc.2012.06.008 | |||
| CHEMBL289480 | 100338 | 60 | None | -1 | 5 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 180 | 3 | 1 | 3 | 1.2 | C1COC(NC(C2CC2)C2CC2)=N1 | 10.1016/j.bmc.2012.06.008 | |||
| 9883506 | 70564 | 0 | None | 1 | 6 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 282 | 3 | 3 | 5 | 2.3 | Cc1ccc(N(NC2=NCCN2)c2cccc(O)c2)cc1 | 10.1016/j.bmcl.2005.07.083 | |||
| CHEMBL194849 | 70564 | 0 | None | 1 | 6 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 282 | 3 | 3 | 5 | 2.3 | Cc1ccc(N(NC2=NCCN2)c2cccc(O)c2)cc1 | 10.1016/j.bmcl.2005.07.083 | |||
| 9816048 | 187278 | 0 | None | -12 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 231 | 1 | 4 | 5 | 1.2 | Cc1c(NC2=NCCN2)ccc2c1NCCN2 | 10.1021/jm960359r | |||
| CHEMBL49284 | 187278 | 0 | None | -12 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 231 | 1 | 4 | 5 | 1.2 | Cc1c(NC2=NCCN2)ccc2c1NCCN2 | 10.1021/jm960359r | |||
| 118717249 | 115125 | 0 | None | -18 | 3 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 219 | 1 | 2 | 3 | 0.5 | Fc1cccc2cnn(N=C3NCCN3)c12 | 10.1016/j.ejmech.2014.09.083 | |||
| CHEMBL3343700 | 115125 | 0 | None | -18 | 3 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 219 | 1 | 2 | 3 | 0.5 | Fc1cccc2cnn(N=C3NCCN3)c12 | 10.1016/j.ejmech.2014.09.083 | |||
| 50985821 | 176218 | 31 | None | 2 | 3 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 474 | 5 | 2 | 5 | 6.2 | N=c1c2c(-c3ccccc3)c(-c3ccccc3)n(Cc3ccccc3)c2ncn1[C@H]1CC[C@H](O)CC1 | 10.1021/acs.jmedchem.2c00204 | |||
| CHEMBL4594433 | 176218 | 31 | None | 2 | 3 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 474 | 5 | 2 | 5 | 6.2 | N=c1c2c(-c3ccccc3)c(-c3ccccc3)n(Cc3ccccc3)c2ncn1[C@H]1CC[C@H](O)CC1 | 10.1021/acs.jmedchem.2c00204 | |||
| 44292232 | 101321 | 0 | None | -4 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 222 | 3 | 1 | 3 | 2.2 | CCC[C@H]1C2CCC(C2)[C@H]1NC1=NCCO1 | 10.1021/jm9905256 | |||
| CHEMBL296660 | 101321 | 0 | None | -4 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 222 | 3 | 1 | 3 | 2.2 | CCC[C@H]1C2CCC(C2)[C@H]1NC1=NCCO1 | 10.1021/jm9905256 | |||
| 9971924 | 184226 | 0 | None | -3 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 298 | 5 | 1 | 3 | 3.4 | c1ccc(CCC[C@H]2C3CCC(C3)[C@H]2NC2=NCCO2)cc1 | 10.1021/jm9905256 | |||
| CHEMBL48341 | 184226 | 0 | None | -3 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 298 | 5 | 1 | 3 | 3.4 | c1ccc(CCC[C@H]2C3CCC(C3)[C@H]2NC2=NCCO2)cc1 | 10.1021/jm9905256 | |||
| 11221758 | 84617 | 0 | None | -7 | 3 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 311 | 5 | 1 | 5 | 3.0 | CC(Oc1ccccc1-c1ccccc1[N+](=O)[O-])C1=NCCN1 | 10.1021/jm0408215 | |||
| CHEMBL222138 | 84617 | 0 | None | -7 | 3 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 311 | 5 | 1 | 5 | 3.0 | CC(Oc1ccccc1-c1ccccc1[N+](=O)[O-])C1=NCCN1 | 10.1021/jm0408215 | |||
| 49836304 | 18571 | 1 | None | -2 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 230 | 4 | 1 | 3 | 2.3 | C[C@@H](Oc1ccccc1C1CC1)C1=NCCN1 | 10.1021/ml400232p | |||
| CHEMBL1276219 | 18571 | 1 | None | -2 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 230 | 4 | 1 | 3 | 2.3 | C[C@@H](Oc1ccccc1C1CC1)C1=NCCN1 | 10.1021/ml400232p | |||
| 49836304 | 18571 | 1 | None | -2 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 230 | 4 | 1 | 3 | 2.3 | C[C@@H](Oc1ccccc1C1CC1)C1=NCCN1 | 10.1021/jm100977d | |||
| CHEMBL1276219 | 18571 | 1 | None | -2 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 230 | 4 | 1 | 3 | 2.3 | C[C@@H](Oc1ccccc1C1CC1)C1=NCCN1 | 10.1021/jm100977d | |||
| 49836305 | 18576 | 0 | None | -2 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 272 | 4 | 1 | 4 | 3.2 | C[C@H](Oc1ccccc1-c1ccsc1)C1=NCCN1 | 10.1021/jm100977d | |||
| CHEMBL1276248 | 18576 | 0 | None | -2 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 272 | 4 | 1 | 4 | 3.2 | C[C@H](Oc1ccccc1-c1ccsc1)C1=NCCN1 | 10.1021/jm100977d | |||
| 56852956 | 112043 | 1 | None | -32 | 9 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 339 | 5 | 0 | 6 | 2.8 | c1cnc(N2CCN(CCCc3nc4ccccc4s3)CC2)nc1 | 10.1016/j.bmc.2014.04.026 | |||
| CHEMBL3289656 | 112043 | 1 | None | -32 | 9 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 339 | 5 | 0 | 6 | 2.8 | c1cnc(N2CCN(CCCc3nc4ccccc4s3)CC2)nc1 | 10.1016/j.bmc.2014.04.026 | |||
| 24906203 | 187218 | 0 | None | -3 | 3 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 280 | 2 | 1 | 4 | 2.5 | c1ccc(-c2ccc3c(c2)OC(C2=NCCN2)CO3)cc1 | 10.1021/jm800250z | |||
| CHEMBL492445 | 187218 | 0 | None | -3 | 3 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 280 | 2 | 1 | 4 | 2.5 | c1ccc(-c2ccc3c(c2)OC(C2=NCCN2)CO3)cc1 | 10.1021/jm800250z | |||
| 11380132 | 84419 | 0 | None | -1 | 3 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 267 | 4 | 1 | 4 | 2.5 | CC(Oc1ccccc1-c1ccccn1)C1=NCCN1 | 10.1021/jm0408215 | |||
| CHEMBL221989 | 84419 | 0 | None | -1 | 3 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 267 | 4 | 1 | 4 | 2.5 | CC(Oc1ccccc1-c1ccccn1)C1=NCCN1 | 10.1021/jm0408215 | |||
| 56852956 | 112043 | 1 | None | -32 | 9 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 339 | 5 | 0 | 6 | 2.8 | c1cnc(N2CCN(CCCc3nc4ccccc4s3)CC2)nc1 | 10.1016/j.bmc.2014.04.026 | |||
| CHEMBL3289656 | 112043 | 1 | None | -32 | 9 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 339 | 5 | 0 | 6 | 2.8 | c1cnc(N2CCN(CCCc3nc4ccccc4s3)CC2)nc1 | 10.1016/j.bmc.2014.04.026 | |||
| 44371744 | 50321 | 0 | None | -7 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 270 | 7 | 1 | 3 | 2.9 | C=CCc1cccc(CC=C)c1OC(C)C1=NCCN1 | 10.1016/j.bmc.2012.01.035 | |||
| CHEMBL157206 | 50321 | 0 | None | -7 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 270 | 7 | 1 | 3 | 2.9 | C=CCc1cccc(CC=C)c1OC(C)C1=NCCN1 | 10.1016/j.bmc.2012.01.035 | |||
| 2585 | 803 | 103 | None | -16 | 21 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 406 | 10 | 3 | 5 | 3.7 | COc1ccccc1OCCNCC(COc1cccc2c1c1ccccc1[nH]2)O | nan | |||
| 522 | 803 | 103 | None | -16 | 21 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 406 | 10 | 3 | 5 | 3.7 | COc1ccccc1OCCNCC(COc1cccc2c1c1ccccc1[nH]2)O | nan | |||
| 551 | 803 | 103 | None | -16 | 21 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 406 | 10 | 3 | 5 | 3.7 | COc1ccccc1OCCNCC(COc1cccc2c1c1ccccc1[nH]2)O | nan | |||
| CHEMBL723 | 803 | 103 | None | -16 | 21 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 406 | 10 | 3 | 5 | 3.7 | COc1ccccc1OCCNCC(COc1cccc2c1c1ccccc1[nH]2)O | nan | |||
| DB01136 | 803 | 103 | None | -16 | 21 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 406 | 10 | 3 | 5 | 3.7 | COc1ccccc1OCCNCC(COc1cccc2c1c1ccccc1[nH]2)O | nan | |||
| 44325044 | 207383 | 0 | None | 5 | 3 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 479 | 6 | 0 | 8 | 3.8 | COc1cc2c(cc1OC)C1=NOC(CN3CCN(Cc4csc5ccccc45)CC3)C1CO2 | 10.1016/s0960-894x(03)00525-0 | |||
| CHEMBL93801 | 207383 | 0 | None | 5 | 3 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 479 | 6 | 0 | 8 | 3.8 | COc1cc2c(cc1OC)C1=NOC(CN3CCN(Cc4csc5ccccc45)CC3)C1CO2 | 10.1016/s0960-894x(03)00525-0 | |||
| 213041 | 17133 | 28 | None | -2 | 4 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 230 | 2 | 1 | 1 | 3.0 | CCC1(c2c[nH]cn2)Cc2ccc(F)cc2C1 | 10.1021/jm1006269 | |||
| CHEMBL1255582 | 17133 | 28 | None | -2 | 4 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 230 | 2 | 1 | 1 | 3.0 | CCC1(c2c[nH]cn2)Cc2ccc(F)cc2C1 | 10.1021/jm1006269 | |||
| CHEMBL4535474 | 213988 | 39 | None | -1 | 6 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | None | None | None | CNCc1ccccc1-c1csc([C@@H](C)Nc2nc(C)nc3cc(OC)c(OC)cc23)c1 | 10.6019/CHEMBL5212743 | |||||
| 489 | 145 | 28 | None | -380 | 12 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 401 | 7 | 1 | 8 | 1.0 | COc1ccccc1N1CCN(CC1)CCCNc1c(C)c(=O)n(c(=O)n1C)C | 10.1021/jm00018a001 | |||
| 5640 | 145 | 28 | None | -380 | 12 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 401 | 7 | 1 | 8 | 1.0 | COc1ccccc1N1CCN(CC1)CCCNc1c(C)c(=O)n(c(=O)n1C)C | 10.1021/jm00018a001 | |||
| CHEMBL420060 | 145 | 28 | None | -380 | 12 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 401 | 7 | 1 | 8 | 1.0 | COc1ccccc1N1CCN(CC1)CCCNc1c(C)c(=O)n(c(=O)n1C)C | 10.1021/jm00018a001 | |||
| 11371902 | 141638 | 0 | None | -2 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 272 | 4 | 1 | 4 | 3.2 | CC(Oc1ccccc1-c1ccsc1)C1=NCCN1 | 10.1021/jm100977d | |||
| CHEMBL385310 | 141638 | 0 | None | -2 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 272 | 4 | 1 | 4 | 3.2 | CC(Oc1ccccc1-c1ccsc1)C1=NCCN1 | 10.1021/jm100977d | |||
| 11371902 | 141638 | 0 | None | -2 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 272 | 4 | 1 | 4 | 3.2 | CC(Oc1ccccc1-c1ccsc1)C1=NCCN1 | 10.1021/jm0408215 | |||
| CHEMBL385310 | 141638 | 0 | None | -2 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 272 | 4 | 1 | 4 | 3.2 | CC(Oc1ccccc1-c1ccsc1)C1=NCCN1 | 10.1021/jm0408215 | |||
| 11741010 | 83251 | 0 | None | 4 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 388 | 3 | 1 | 4 | 5.4 | Cc1cc(C)c2c(Nc3ccc(N4CCN(C)C(C)C4)cc3)c(C)c(C)nc2c1 | 10.1021/jm060262x | |||
| CHEMBL218730 | 83251 | 0 | None | 4 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 388 | 3 | 1 | 4 | 5.4 | Cc1cc(C)c2c(Nc3ccc(N4CCN(C)C(C)C4)cc3)c(C)c(C)nc2c1 | 10.1021/jm060262x | |||
| 11741010 | 83251 | 0 | None | 4 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 388 | 3 | 1 | 4 | 5.4 | Cc1cc(C)c2c(Nc3ccc(N4CCN(C)C(C)C4)cc3)c(C)c(C)nc2c1 | 10.1016/j.ejmech.2010.12.026 | |||
| CHEMBL218730 | 83251 | 0 | None | 4 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 388 | 3 | 1 | 4 | 5.4 | Cc1cc(C)c2c(Nc3ccc(N4CCN(C)C(C)C4)cc3)c(C)c(C)nc2c1 | 10.1016/j.ejmech.2010.12.026 | |||
| 135356876 | 174074 | 0 | None | -7 | 3 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 464 | 5 | 2 | 6 | 5.5 | O=C(O)c1cc(-c2ccc(C3CCNCC3)cc2)cc(-n2cc(-c3ccc(Cl)s3)nn2)c1 | 10.1021/acs.jmedchem.6b00044 | |||
| CHEMBL4544251 | 174074 | 0 | None | -7 | 3 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 464 | 5 | 2 | 6 | 5.5 | O=C(O)c1cc(-c2ccc(C3CCNCC3)cc2)cc(-n2cc(-c3ccc(Cl)s3)nn2)c1 | 10.1021/acs.jmedchem.6b00044 | |||
| 9809007 | 172564 | 8 | None | -724 | 6 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 608 | 10 | 2 | 7 | 5.6 | COC(=O)C1=C(C)NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1 | 10.1021/jm00019a001 | |||
| CHEMBL448620 | 172564 | 8 | None | -724 | 6 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 608 | 10 | 2 | 7 | 5.6 | COC(=O)C1=C(C)NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1 | 10.1021/jm00019a001 | |||
| 16090598 | 82455 | 0 | None | 5 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 394 | 3 | 1 | 4 | 5.4 | Cc1nc2cccc(Cl)c2c(Nc2ccc(N3CCN(C)C(C)C3)cc2)c1C | 10.1016/j.ejmech.2010.12.026 | |||
| CHEMBL217568 | 82455 | 0 | None | 5 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 394 | 3 | 1 | 4 | 5.4 | Cc1nc2cccc(Cl)c2c(Nc2ccc(N3CCN(C)C(C)C3)cc2)c1C | 10.1016/j.ejmech.2010.12.026 | |||
| 16090598 | 82455 | 0 | None | 5 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 394 | 3 | 1 | 4 | 5.4 | Cc1nc2cccc(Cl)c2c(Nc2ccc(N3CCN(C)C(C)C3)cc2)c1C | 10.1021/jm060262x | |||
| CHEMBL217568 | 82455 | 0 | None | 5 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 394 | 3 | 1 | 4 | 5.4 | Cc1nc2cccc(Cl)c2c(Nc2ccc(N3CCN(C)C(C)C3)cc2)c1C | 10.1021/jm060262x | |||
| 71450548 | 83800 | 0 | None | 1 | 3 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 295 | 3 | 1 | 3 | 2.0 | COc1cccc(CN2C3C4C5CC6C7C5C3C7C2(O)C64)c1 | 10.1016/j.bmcl.2012.08.046 | |||
| CHEMBL2205824 | 83800 | 0 | None | 1 | 3 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 295 | 3 | 1 | 3 | 2.0 | COc1cccc(CN2C3C4C5CC6C7C5C3C7C2(O)C64)c1 | 10.1016/j.bmcl.2012.08.046 | |||
| 42656257 | 121719 | 0 | None | - | 1 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 242 | 2 | 1 | 3 | 2.6 | COc1ccc(C2NCCCn3cccc32)cc1 | 10.1016/j.bmc.2015.01.013 | |||
| CHEMBL3588912 | 121719 | 0 | None | - | 1 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 242 | 2 | 1 | 3 | 2.6 | COc1ccc(C2NCCCn3cccc32)cc1 | 10.1016/j.bmc.2015.01.013 | |||
| 26987 | 949 | 33 | None | -107 | 21 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 343 | 6 | 0 | 2 | 5.1 | Clc1ccc(cc1)[C@@](c1ccccc1)(OCC[C@H]1CCCN1C)C | nan | |||
| 6063 | 949 | 33 | None | -107 | 21 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 343 | 6 | 0 | 2 | 5.1 | Clc1ccc(cc1)[C@@](c1ccccc1)(OCC[C@H]1CCCN1C)C | nan | |||
| 671 | 949 | 33 | None | -107 | 21 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 343 | 6 | 0 | 2 | 5.1 | Clc1ccc(cc1)[C@@](c1ccccc1)(OCC[C@H]1CCCN1C)C | nan | |||
| CHEMBL1626 | 949 | 33 | None | -107 | 21 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 343 | 6 | 0 | 2 | 5.1 | Clc1ccc(cc1)[C@@](c1ccccc1)(OCC[C@H]1CCCN1C)C | nan | |||
| DB00283 | 949 | 33 | None | -107 | 21 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 343 | 6 | 0 | 2 | 5.1 | Clc1ccc(cc1)[C@@](c1ccccc1)(OCC[C@H]1CCCN1C)C | nan | |||
| 10198248 | 187449 | 40 | None | -6 | 6 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 213 | 1 | 2 | 5 | 1.0 | c1cnc2cc(NC3=NCCN3)ccc2n1 | 10.1016/0960-894X(95)00391-6 | |||
| CHEMBL49395 | 187449 | 40 | None | -6 | 6 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 213 | 1 | 2 | 5 | 1.0 | c1cnc2cc(NC3=NCCN3)ccc2n1 | 10.1016/0960-894X(95)00391-6 | |||
| 13091268 | 78224 | 0 | None | -158 | 14 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 401 | 6 | 1 | 3 | 5.0 | O=C(CCCN1C2CCC1CC(O)(c1ccc(Cl)cc1)C2)c1ccc(F)cc1 | 10.1016/j.bmcl.2006.03.057 | |||
| CHEMBL210578 | 78224 | 0 | None | -158 | 14 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 401 | 6 | 1 | 3 | 5.0 | O=C(CCCN1C2CCC1CC(O)(c1ccc(Cl)cc1)C2)c1ccc(F)cc1 | 10.1016/j.bmcl.2006.03.057 | |||
| 44582678 | 181574 | 0 | None | 3 | 10 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 401 | 9 | 1 | 4 | 4.3 | COc1c(OCCF)cccc1C(O)C1CCN(CCc2ccc(C)cc2)CC1 | 10.1016/j.bmc.2009.03.021 | |||
| CHEMBL476839 | 181574 | 0 | None | 3 | 10 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 401 | 9 | 1 | 4 | 4.3 | COc1c(OCCF)cccc1C(O)C1CCN(CCc2ccc(C)cc2)CC1 | 10.1016/j.bmc.2009.03.021 | |||
| 11108001 | 10872 | 2 | None | -12 | 6 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 221 | 4 | 2 | 4 | 1.8 | CSc1ccccc1NCC1=NCCN1 | 10.1021/jm000542r | |||
| CHEMBL117248 | 10872 | 2 | None | -12 | 6 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 221 | 4 | 2 | 4 | 1.8 | CSc1ccccc1NCC1=NCCN1 | 10.1021/jm000542r | |||
| CHEMBL540542 | 10872 | 2 | None | -12 | 6 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 221 | 4 | 2 | 4 | 1.8 | CSc1ccccc1NCC1=NCCN1 | 10.1021/jm000542r | |||
| 11380133 | 169367 | 0 | None | -5 | 3 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 267 | 4 | 1 | 4 | 2.5 | CC(Oc1ccccc1-c1ccncc1)C1=NCCN1 | 10.1021/jm0408215 | |||
| CHEMBL442045 | 169367 | 0 | None | -5 | 3 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 267 | 4 | 1 | 4 | 2.5 | CC(Oc1ccccc1-c1ccncc1)C1=NCCN1 | 10.1021/jm0408215 | |||
| 3151 | 1462 | 97 | None | -40 | 27 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 425 | 5 | 2 | 5 | 3.4 | Clc1ccc2c(c1)[nH]c(=O)n2C1CCN(CC1)CCCn1c(=O)[nH]c2c1cccc2 | nan | |||
| 945 | 1462 | 97 | None | -40 | 27 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 425 | 5 | 2 | 5 | 3.4 | Clc1ccc2c(c1)[nH]c(=O)n2C1CCN(CC1)CCCn1c(=O)[nH]c2c1cccc2 | nan | |||
| 965 | 1462 | 97 | None | -40 | 27 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 425 | 5 | 2 | 5 | 3.4 | Clc1ccc2c(c1)[nH]c(=O)n2C1CCN(CC1)CCCn1c(=O)[nH]c2c1cccc2 | nan | |||
| CHEMBL219916 | 1462 | 97 | None | -40 | 27 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 425 | 5 | 2 | 5 | 3.4 | Clc1ccc2c(c1)[nH]c(=O)n2C1CCN(CC1)CCCn1c(=O)[nH]c2c1cccc2 | nan | |||
| DB01184 | 1462 | 97 | None | -40 | 27 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 425 | 5 | 2 | 5 | 3.4 | Clc1ccc2c(c1)[nH]c(=O)n2C1CCN(CC1)CCCn1c(=O)[nH]c2c1cccc2 | nan | |||
| 73291731 | 92491 | 0 | None | -10 | 4 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 232 | 5 | 1 | 3 | 2.4 | CCCc1ccccc1OC(C)C1=NCCN1 | 10.1021/ml400232p | |||
| CHEMBL2431282 | 92491 | 0 | None | -10 | 4 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 232 | 5 | 1 | 3 | 2.4 | CCCc1ccccc1OC(C)C1=NCCN1 | 10.1021/ml400232p | |||
| 45487955 | 198310 | 0 | None | -2 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 232 | 4 | 1 | 3 | 2.7 | CCCc1ccccc1C(C)OC1=NCCN1 | 10.1021/jm901262f | |||
| CHEMBL576078 | 198310 | 0 | None | -2 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 232 | 4 | 1 | 3 | 2.7 | CCCc1ccccc1C(C)OC1=NCCN1 | 10.1021/jm901262f | |||
| 9827677 | 168422 | 0 | None | -7413 | 7 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 510 | 7 | 2 | 4 | 4.2 | CC1=C(C(=O)NCCCN2CCC(c3ccc(F)cc3C#N)CC2)[C@@H](c2ccc(F)c(F)c2)CC(=O)N1 | 10.1016/s0960-894x(99)00696-4 | |||
| CHEMBL43491 | 168422 | 0 | None | -7413 | 7 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 510 | 7 | 2 | 4 | 4.2 | CC1=C(C(=O)NCCCN2CCC(c3ccc(F)cc3C#N)CC2)[C@@H](c2ccc(F)c(F)c2)CC(=O)N1 | 10.1016/s0960-894x(99)00696-4 | |||
| 50878551 | 90745 | 61 | None | -22 | 18 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 270 | 8 | 1 | 2 | 3.4 | C=CCN(CC=C)CCc1c[nH]c2ccc(OC)cc12 | 10.1016/j.bmcl.2015.12.053 | |||
| CHEMBL2391541 | 90745 | 61 | None | -22 | 18 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 270 | 8 | 1 | 2 | 3.4 | C=CCN(CC=C)CCc1c[nH]c2ccc(OC)cc12 | 10.1016/j.bmcl.2015.12.053 | |||
| 44455426 | 155149 | 0 | None | -2 | 12 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 405 | 9 | 1 | 4 | 4.2 | COc1c(OCCF)cccc1C(O)C1CCN(CCc2ccc(F)cc2)CC1 | 10.1016/j.bmc.2009.03.021 | |||
| CHEMBL402143 | 155149 | 0 | None | -2 | 12 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 405 | 9 | 1 | 4 | 4.2 | COc1c(OCCF)cccc1C(O)C1CCN(CCc2ccc(F)cc2)CC1 | 10.1016/j.bmc.2009.03.021 | |||
| 144852560 | 170936 | 0 | None | -85 | 4 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 343 | 2 | 2 | 5 | 3.8 | Clc1ccc(C#Cc2nc(NC3CCCC3)c3nc[nH]c3n2)s1 | 10.1039/C8MD00317C | |||
| CHEMBL4455344 | 170936 | 0 | None | -85 | 4 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 343 | 2 | 2 | 5 | 3.8 | Clc1ccc(C#Cc2nc(NC3CCCC3)c3nc[nH]c3n2)s1 | 10.1039/C8MD00317C | |||
| 71463063 | 83801 | 0 | None | -2 | 8 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 295 | 3 | 1 | 3 | 2.0 | COc1ccc(CN2C3C4C5CC6C7C5C3C7C2(O)C64)cc1 | 10.1016/j.bmcl.2012.08.046 | |||
| CHEMBL2205825 | 83801 | 0 | None | -2 | 8 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 295 | 3 | 1 | 3 | 2.0 | COc1ccc(CN2C3C4C5CC6C7C5C3C7C2(O)C64)cc1 | 10.1016/j.bmcl.2012.08.046 | |||
| 21830793 | 91835 | 10 | None | -100 | 45 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 373 | 7 | 0 | 8 | 0.6 | COc1ccccc1N1CCN(CCCCn2ncc(=O)n(C)c2=O)CC1 | 10.1016/j.bmc.2013.05.050 | |||
| CHEMBL2413154 | 91835 | 10 | None | -100 | 45 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 373 | 7 | 0 | 8 | 0.6 | COc1ccccc1N1CCN(CCCCn2ncc(=O)n(C)c2=O)CC1 | 10.1016/j.bmc.2013.05.050 | |||
| 10044968 | 96545 | 0 | None | 54 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 374 | 3 | 1 | 4 | 5.0 | Cc1ccc2c(Nc3ccc(N4CCN(C)C(C)C4)cc3)c(C)c(C)nc2c1 | 10.1016/j.ejmech.2010.12.026 | |||
| CHEMBL262901 | 96545 | 0 | None | 54 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 374 | 3 | 1 | 4 | 5.0 | Cc1ccc2c(Nc3ccc(N4CCN(C)C(C)C4)cc3)c(C)c(C)nc2c1 | 10.1016/j.ejmech.2010.12.026 | |||
| 10044968 | 96545 | 0 | None | 54 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 374 | 3 | 1 | 4 | 5.0 | Cc1ccc2c(Nc3ccc(N4CCN(C)C(C)C4)cc3)c(C)c(C)nc2c1 | 10.1021/jm060262x | |||
| CHEMBL262901 | 96545 | 0 | None | 54 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 374 | 3 | 1 | 4 | 5.0 | Cc1ccc2c(Nc3ccc(N4CCN(C)C(C)C4)cc3)c(C)c(C)nc2c1 | 10.1021/jm060262x | |||
| 44579231 | 181567 | 0 | None | 1 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 396 | 6 | 1 | 6 | 1.7 | O=C(NCCN1CCCN(CC2COc3ccccc3O2)CC1)c1cccnc1 | 10.1016/j.bmcl.2008.08.055 | |||
| CHEMBL476774 | 181567 | 0 | None | 1 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 396 | 6 | 1 | 6 | 1.7 | O=C(NCCN1CCCN(CC2COc3ccccc3O2)CC1)c1cccnc1 | 10.1016/j.bmcl.2008.08.055 | |||
| 3158 | 56267 | 27 | None | -1047 | 20 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 279 | 3 | 0 | 2 | 4.0 | CN(C)CCC=C1c2ccccc2COc2ccccc21 | nan | |||
| CHEMBL1628227 | 56267 | 27 | None | -1047 | 20 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 279 | 3 | 0 | 2 | 4.0 | CN(C)CCC=C1c2ccccc2COc2ccccc21 | nan | |||
| 10609673 | 103776 | 0 | None | -11 | 3 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 233 | 4 | 2 | 4 | 2.5 | COc1ccc(Nc2ncc[nH]2)c(C)c1OC | 10.1021/jm9605142 | |||
| CHEMBL308863 | 103776 | 0 | None | -11 | 3 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 233 | 4 | 2 | 4 | 2.5 | COc1ccc(Nc2ncc[nH]2)c(C)c1OC | 10.1021/jm9605142 | |||
| 118734875 | 118737 | 0 | None | -489 | 3 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 327 | 6 | 1 | 4 | 2.4 | C[C@@H]1CCCN1CCCOc1ccc(C2=NNC(=O)[C@@H]3C[C@H]23)cc1 | 10.1016/j.ejmech.2015.03.054 | |||
| CHEMBL3417585 | 118737 | 0 | None | -489 | 3 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 327 | 6 | 1 | 4 | 2.4 | C[C@@H]1CCCN1CCCOc1ccc(C2=NNC(=O)[C@@H]3C[C@H]23)cc1 | 10.1016/j.ejmech.2015.03.054 | |||
| 73352414 | 92532 | 0 | None | -2 | 5 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 257 | 3 | 1 | 1 | 3.3 | C1CCC(CN[C@H]2C3C4CC5C6C4CC3C6C52)CC1 | 10.1016/j.bmc.2013.07.045 | |||
| CHEMBL2432038 | 92532 | 0 | None | -2 | 5 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 257 | 3 | 1 | 1 | 3.3 | C1CCC(CN[C@H]2C3C4CC5C6C4CC3C6C52)CC1 | 10.1016/j.bmc.2013.07.045 | |||
| 737253 | 118503 | 139 | None | - | 1 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 191 | 1 | 1 | 3 | 1.0 | CN1CCN(c2ccc(N)cc2)CC1 | 10.1016/j.bmc.2015.01.013 | |||
| CHEMBL341473 | 118503 | 139 | None | - | 1 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 191 | 1 | 1 | 3 | 1.0 | CN1CCN(c2ccc(N)cc2)CC1 | 10.1016/j.bmc.2015.01.013 | |||
| 32238 | 22655 | 114 | None | - | 1 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 256 | 3 | 1 | 3 | 2.9 | OC(Cn1ccnc1)c1ccc(Cl)cc1Cl | 10.1016/j.bmc.2015.01.013 | |||
| CHEMBL1327 | 22655 | 114 | None | - | 1 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 256 | 3 | 1 | 3 | 2.9 | OC(Cn1ccnc1)c1ccc(Cl)cc1Cl | 10.1016/j.bmc.2015.01.013 | |||
| 44582705 | 186996 | 0 | None | 3 | 13 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 399 | 9 | 0 | 4 | 4.5 | COc1c(OCCF)cccc1C(=O)C1CCN(CCc2ccc(C)cc2)CC1 | 10.1016/j.bmc.2009.03.021 | |||
| CHEMBL490632 | 186996 | 0 | None | 3 | 13 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 399 | 9 | 0 | 4 | 4.5 | COc1c(OCCF)cccc1C(=O)C1CCN(CCc2ccc(C)cc2)CC1 | 10.1016/j.bmc.2009.03.021 | |||
| 71463022 | 83698 | 7 | None | -1 | 4 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 436 | 8 | 0 | 5 | 5.3 | COc1cc2oc(C(=O)N(CCCN3CCCCC3)c3ccccc3)c(C)c2cc1OC | 10.1016/j.bmc.2012.09.044 | |||
| CHEMBL2205362 | 83698 | 7 | None | -1 | 4 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 436 | 8 | 0 | 5 | 5.3 | COc1cc2oc(C(=O)N(CCCN3CCCCC3)c3ccccc3)c(C)c2cc1OC | 10.1016/j.bmc.2012.09.044 | |||
| 770500 | 121716 | 3 | None | - | 1 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 242 | 4 | 2 | 3 | 2.4 | NCC(=O)Nc1ccccc1Oc1ccccc1 | 10.1016/j.bmc.2015.01.013 | |||
| CHEMBL3588909 | 121716 | 3 | None | - | 1 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 242 | 4 | 2 | 3 | 2.4 | NCC(=O)Nc1ccccc1Oc1ccccc1 | 10.1016/j.bmc.2015.01.013 | |||
| 4306793 | 121717 | 1 | None | - | 1 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 282 | 3 | 1 | 3 | 2.6 | O=C(CCC1CCCC1)N1CCSC12CCNCC2 | 10.1016/j.bmc.2015.01.013 | |||
| CHEMBL3588910 | 121717 | 1 | None | - | 1 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 282 | 3 | 1 | 3 | 2.6 | O=C(CCC1CCCC1)N1CCSC12CCNCC2 | 10.1016/j.bmc.2015.01.013 | |||
| 10651654 | 111483 | 0 | None | -85 | 6 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 631 | 9 | 2 | 5 | 7.8 | CO/C(O)=C1\C(C)=NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc(Cl)c(Cl)c1 | 10.1021/jm980077m | |||
| CHEMBL327712 | 111483 | 0 | None | -85 | 6 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 631 | 9 | 2 | 5 | 7.8 | CO/C(O)=C1\C(C)=NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc(Cl)c(Cl)c1 | 10.1021/jm980077m | |||
| 24906202 | 187217 | 0 | None | -5 | 3 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 280 | 2 | 1 | 4 | 2.5 | c1ccc(-c2ccc3c(c2)OCC(C2=NCCN2)O3)cc1 | 10.1021/jm800250z | |||
| CHEMBL492444 | 187217 | 0 | None | -5 | 3 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 280 | 2 | 1 | 4 | 2.5 | c1ccc(-c2ccc3c(c2)OCC(C2=NCCN2)O3)cc1 | 10.1021/jm800250z | |||
| 3652 | 46244 | 70 | None | -2 | 9 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 335 | 9 | 2 | 4 | 3.8 | CCN(CCO)CCCC(C)Nc1ccnc2cc(Cl)ccc12 | 10.1038/s41586-020-2286-9 | |||
| CHEMBL1535 | 46244 | 70 | None | -2 | 9 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 335 | 9 | 2 | 4 | 3.8 | CCN(CCO)CCCC(C)Nc1ccnc2cc(Cl)ccc12 | 10.1038/s41586-020-2286-9 | |||
| 16090626 | 82135 | 0 | None | 77 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 378 | 3 | 1 | 4 | 4.9 | Cc1nc2ccc(F)cc2c(Nc2ccc(N3CCN(C)C(C)C3)cc2)c1C | 10.1016/j.ejmech.2010.12.026 | |||
| CHEMBL216727 | 82135 | 0 | None | 77 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 378 | 3 | 1 | 4 | 4.9 | Cc1nc2ccc(F)cc2c(Nc2ccc(N3CCN(C)C(C)C3)cc2)c1C | 10.1016/j.ejmech.2010.12.026 | |||
| 2142 | 3096 | 58 | None | -7 | 36 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | nan | |||
| 4920903 | 3096 | 58 | None | -7 | 36 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | nan | |||
| 502 | 3096 | 58 | None | -7 | 36 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | nan | |||
| 5775 | 3096 | 58 | None | -7 | 36 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | nan | |||
| CHEMBL597 | 3096 | 58 | None | -7 | 36 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | nan | |||
| DB00692 | 3096 | 58 | None | -7 | 36 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | nan | |||
| 16090626 | 82135 | 0 | None | 77 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 378 | 3 | 1 | 4 | 4.9 | Cc1nc2ccc(F)cc2c(Nc2ccc(N3CCN(C)C(C)C3)cc2)c1C | 10.1021/jm060262x | |||
| CHEMBL216727 | 82135 | 0 | None | 77 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 378 | 3 | 1 | 4 | 4.9 | Cc1nc2ccc(F)cc2c(Nc2ccc(N3CCN(C)C(C)C3)cc2)c1C | 10.1021/jm060262x | |||
| 9906978 | 42711 | 2 | None | -1 | 12 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 361 | 6 | 1 | 3 | 4.0 | O=C(CCCN1CCC(O)(c2ccc(Cl)cc2)C1)c1ccc(F)cc1 | 10.1016/j.bmcl.2006.03.057 | |||
| CHEMBL150161 | 42711 | 2 | None | -1 | 12 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 361 | 6 | 1 | 3 | 4.0 | O=C(CCCN1CCC(O)(c2ccc(Cl)cc2)C1)c1ccc(F)cc1 | 10.1016/j.bmcl.2006.03.057 | |||
| 10527469 | 156265 | 3 | None | -35 | 15 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 448 | 4 | 1 | 7 | 3.0 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(sc5cccnc54)c3=O)C[C@@H]21 | 10.1021/jm970364a | |||
| CHEMBL40650 | 156265 | 3 | None | -35 | 15 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 448 | 4 | 1 | 7 | 3.0 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(sc5cccnc54)c3=O)C[C@@H]21 | 10.1021/jm970364a | |||
| 11211035 | 85003 | 0 | None | -1 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 284 | 4 | 1 | 3 | 3.3 | CC(Oc1ccccc1-c1cccc(F)c1)C1=NCCN1 | 10.1021/jm061487a | |||
| CHEMBL223836 | 85003 | 0 | None | -1 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 284 | 4 | 1 | 3 | 3.3 | CC(Oc1ccccc1-c1cccc(F)c1)C1=NCCN1 | 10.1021/jm061487a | |||
| 11211035 | 85003 | 0 | None | -1 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 284 | 4 | 1 | 3 | 3.3 | CC(Oc1ccccc1-c1cccc(F)c1)C1=NCCN1 | 10.1021/jm0408215 | |||
| CHEMBL223836 | 85003 | 0 | None | -1 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 284 | 4 | 1 | 3 | 3.3 | CC(Oc1ccccc1-c1cccc(F)c1)C1=NCCN1 | 10.1021/jm0408215 | |||
| 2803 | 955 | 58 | None | -4 | 19 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | 10.1021/jm990569e | |||
| 516 | 955 | 58 | None | -4 | 19 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | 10.1021/jm990569e | |||
| 704 | 955 | 58 | None | -4 | 19 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | 10.1021/jm990569e | |||
| CHEMBL134 | 955 | 58 | None | -4 | 19 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | 10.1021/jm990569e | |||
| DB00575 | 955 | 58 | None | -4 | 19 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | 10.1021/jm990569e | |||
| 11393666 | 192986 | 0 | None | -407 | 19 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 340 | 2 | 1 | 2 | 4.6 | CC1(C)CN([C@@H]2C[C@@H](c3ccccc3)c3ccc(Cl)cc32)CCN1 | 10.1016/j.bmcl.2022.128879 | |||
| CHEMBL5201983 | 192986 | 0 | None | -407 | 19 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 340 | 2 | 1 | 2 | 4.6 | CC1(C)CN([C@@H]2C[C@@H](c3ccccc3)c3ccc(Cl)cc32)CCN1 | 10.1016/j.bmcl.2022.128879 | |||
| CHEMBL5222597 | 192986 | 0 | None | -407 | 19 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 340 | 2 | 1 | 2 | 4.6 | CC1(C)CN([C@@H]2C[C@@H](c3ccccc3)c3ccc(Cl)cc32)CCN1 | 10.1016/j.bmcl.2022.128879 | |||
| 3952 | 1888 | 38 | None | -19 | 12 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 230 | 2 | 2 | 2 | 1.6 | NC(=N/N=C\c1c(Cl)cccc1Cl)N | nan | |||
| 5353646 | 1888 | 38 | None | -19 | 12 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 230 | 2 | 2 | 2 | 1.6 | NC(=N/N=C\c1c(Cl)cccc1Cl)N | nan | |||
| 5443 | 1888 | 38 | None | -19 | 12 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 230 | 2 | 2 | 2 | 1.6 | NC(=N/N=C\c1c(Cl)cccc1Cl)N | nan | |||
| 5702063 | 1888 | 38 | None | -19 | 12 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 230 | 2 | 2 | 2 | 1.6 | NC(=N/N=C\c1c(Cl)cccc1Cl)N | nan | |||
| CHEMBL1331786 | 1888 | 38 | None | -19 | 12 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 230 | 2 | 2 | 2 | 1.6 | NC(=N/N=C\c1c(Cl)cccc1Cl)N | nan | |||
| CHEMBL420 | 1888 | 38 | None | -19 | 12 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 230 | 2 | 2 | 2 | 1.6 | NC(=N/N=C\c1c(Cl)cccc1Cl)N | nan | |||
| 92766 | 106542 | 35 | None | -1 | 6 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@H]12 | 10.1021/jm00019a001 | |||
| CHEMBL31410 | 106542 | 35 | None | -1 | 6 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@H]12 | 10.1021/jm00019a001 | |||
| 44275807 | 98970 | 0 | None | -1479 | 10 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 422 | 7 | 0 | 4 | 4.5 | C[C@H]1CC[C@H](C)N1CCCOc1ccc(-c2ccc(C(=O)N3CCOCC3)cc2)cc1 | 10.1016/s0960-894x(03)00118-5 | |||
| CHEMBL27979 | 98970 | 0 | None | -1479 | 10 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 422 | 7 | 0 | 4 | 4.5 | C[C@H]1CC[C@H](C)N1CCCOc1ccc(-c2ccc(C(=O)N3CCOCC3)cc2)cc1 | 10.1016/s0960-894x(03)00118-5 | |||
| 11199581 | 136559 | 0 | None | -5 | 3 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 282 | 4 | 2 | 4 | 2.8 | CC(Oc1ccccc1-c1ccccc1O)C1=NCCN1 | 10.1021/jm0408215 | |||
| CHEMBL373830 | 136559 | 0 | None | -5 | 3 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 282 | 4 | 2 | 4 | 2.8 | CC(Oc1ccccc1-c1ccccc1O)C1=NCCN1 | 10.1021/jm0408215 | |||
| 132060746 | 163070 | 0 | None | -9 | 5 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 405 | 4 | 0 | 4 | 4.4 | O=C(OCc1ccccc1)N1Cc2ccc(N3CCN(C4CCCC4)CC3)cc2C1 | 10.1016/j.ejmech.2018.02.024 | |||
| CHEMBL4176474 | 163070 | 0 | None | -9 | 5 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 405 | 4 | 0 | 4 | 4.4 | O=C(OCc1ccccc1)N1Cc2ccc(N3CCN(C4CCCC4)CC3)cc2C1 | 10.1016/j.ejmech.2018.02.024 | |||
| 9894818 | 98925 | 0 | None | -93 | 7 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 593 | 10 | 3 | 6 | 4.9 | CC1=C(C(N)=O)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)=C(C)N1 | 10.1021/jm00019a001 | |||
| CHEMBL279436 | 98925 | 0 | None | -93 | 7 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 593 | 10 | 3 | 6 | 4.9 | CC1=C(C(N)=O)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)=C(C)N1 | 10.1021/jm00019a001 | |||
| 10859076 | 13682 | 0 | None | -2 | 6 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 249 | 5 | 2 | 4 | 2.6 | CC(C)Sc1ccccc1NCC1=NCCN1 | 10.1021/jm000542r | |||
| CHEMBL1194763 | 13682 | 0 | None | -2 | 6 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 249 | 5 | 2 | 4 | 2.6 | CC(C)Sc1ccccc1NCC1=NCCN1 | 10.1021/jm000542r | |||
| CHEMBL553276 | 13682 | 0 | None | -2 | 6 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 249 | 5 | 2 | 4 | 2.6 | CC(C)Sc1ccccc1NCC1=NCCN1 | 10.1021/jm000542r | |||
| 9894818 | 98925 | 0 | None | -93 | 7 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 593 | 10 | 3 | 6 | 4.9 | CC1=C(C(N)=O)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)=C(C)N1 | 10.1021/jm980077m | |||
| CHEMBL279436 | 98925 | 0 | None | -93 | 7 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 593 | 10 | 3 | 6 | 4.9 | CC1=C(C(N)=O)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)=C(C)N1 | 10.1021/jm980077m | |||
| 21392988 | 204817 | 4 | None | -1 | 3 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 156 | 0 | 0 | 4 | -0.3 | C1COC(N2CCOCC2)=N1 | 10.1016/0960-894X(94)85032-1 | |||
| CHEMBL75201 | 204817 | 4 | None | -1 | 3 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 156 | 0 | 0 | 4 | -0.3 | C1COC(N2CCOCC2)=N1 | 10.1016/0960-894X(94)85032-1 | |||
| 11109088 | 204180 | 0 | None | -36 | 6 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 255 | 4 | 2 | 4 | 2.5 | CSc1ccc(Cl)cc1NCC1=NCCN1 | 10.1021/jm000542r | |||
| CHEMBL70751 | 204180 | 0 | None | -36 | 6 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 255 | 4 | 2 | 4 | 2.5 | CSc1ccc(Cl)cc1NCC1=NCCN1 | 10.1021/jm000542r | |||
| 4567175 | 82476 | 5 | None | -2 | 3 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 318 | 3 | 1 | 4 | 3.7 | CN1CCN(c2ccc(Nc3ccnc4ccccc34)cc2)CC1 | 10.1016/j.ejmech.2010.12.026 | |||
| CHEMBL217665 | 82476 | 5 | None | -2 | 3 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 318 | 3 | 1 | 4 | 3.7 | CN1CCN(c2ccc(Nc3ccnc4ccccc34)cc2)CC1 | 10.1016/j.ejmech.2010.12.026 | |||
| 12575 | 1988 | 30 | None | -8 | 17 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 204 | 1 | 1 | 4 | 0.8 | C1CN=C(N1)C2COC3=CC=CC=C3O2 | 10.1021/jm800250z | |||
| 54459 | 1988 | 30 | None | -8 | 17 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 204 | 1 | 1 | 4 | 0.8 | C1CN=C(N1)C2COC3=CC=CC=C3O2 | 10.1021/jm800250z | |||
| CHEMBL10316 | 1988 | 30 | None | -8 | 17 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 204 | 1 | 1 | 4 | 0.8 | C1CN=C(N1)C2COC3=CC=CC=C3O2 | 10.1021/jm800250z | |||
| 11346584 | 136984 | 0 | None | 1 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 282 | 4 | 2 | 4 | 2.8 | CC(Oc1ccccc1-c1cccc(O)c1)C1=NCCN1 | 10.1021/jm061487a | |||
| CHEMBL374584 | 136984 | 0 | None | 1 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 282 | 4 | 2 | 4 | 2.8 | CC(Oc1ccccc1-c1cccc(O)c1)C1=NCCN1 | 10.1021/jm061487a | |||
| 12575 | 1988 | 30 | None | -8 | 17 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 204 | 1 | 1 | 4 | 0.8 | C1CN=C(N1)C2COC3=CC=CC=C3O2 | 10.1016/j.bmc.2012.02.016 | |||
| 54459 | 1988 | 30 | None | -8 | 17 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 204 | 1 | 1 | 4 | 0.8 | C1CN=C(N1)C2COC3=CC=CC=C3O2 | 10.1016/j.bmc.2012.02.016 | |||
| CHEMBL10316 | 1988 | 30 | None | -8 | 17 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 204 | 1 | 1 | 4 | 0.8 | C1CN=C(N1)C2COC3=CC=CC=C3O2 | 10.1016/j.bmc.2012.02.016 | |||
| 11346584 | 136984 | 0 | None | 1 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 282 | 4 | 2 | 4 | 2.8 | CC(Oc1ccccc1-c1cccc(O)c1)C1=NCCN1 | 10.1021/jm100977d | |||
| CHEMBL374584 | 136984 | 0 | None | 1 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 282 | 4 | 2 | 4 | 2.8 | CC(Oc1ccccc1-c1cccc(O)c1)C1=NCCN1 | 10.1021/jm100977d | |||
| 11346584 | 136984 | 0 | None | 1 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 282 | 4 | 2 | 4 | 2.8 | CC(Oc1ccccc1-c1cccc(O)c1)C1=NCCN1 | 10.1021/jm0408215 | |||
| CHEMBL374584 | 136984 | 0 | None | 1 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 282 | 4 | 2 | 4 | 2.8 | CC(Oc1ccccc1-c1cccc(O)c1)C1=NCCN1 | 10.1021/jm0408215 | |||
| 3584 | 3777 | 64 | None | -50 | 13 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1021/jm00010a001 | |||
| 5401 | 3777 | 64 | None | -50 | 13 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1021/jm00010a001 | |||
| 7302 | 3777 | 64 | None | -50 | 13 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1021/jm00010a001 | |||
| CHEMBL611 | 3777 | 64 | None | -50 | 13 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1021/jm00010a001 | |||
| DB01162 | 3777 | 64 | None | -50 | 13 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1021/jm00010a001 | |||
| 4567175 | 82476 | 5 | None | -2 | 3 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 318 | 3 | 1 | 4 | 3.7 | CN1CCN(c2ccc(Nc3ccnc4ccccc34)cc2)CC1 | 10.1021/jm060262x | |||
| CHEMBL217665 | 82476 | 5 | None | -2 | 3 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 318 | 3 | 1 | 4 | 3.7 | CN1CCN(c2ccc(Nc3ccnc4ccccc34)cc2)CC1 | 10.1021/jm060262x | |||
| 9960497 | 117075 | 0 | None | -512 | 6 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 609 | 10 | 1 | 8 | 6.0 | COC(=O)C1=C(C)NC(C)=C(C(=O)OCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1 | 10.1021/jm00019a001 | |||
| CHEMBL3392246 | 117075 | 0 | None | -512 | 6 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 609 | 10 | 1 | 8 | 6.0 | COC(=O)C1=C(C)NC(C)=C(C(=O)OCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1 | 10.1021/jm00019a001 | |||
| CHEMBL5273955 | 193788 | 0 | None | -1 | 2 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 305 | 3 | 2 | 2 | 4.1 | C#Cc1cc(Nc2ccccc2C(=O)O)cc(C(F)(F)F)c1 | 10.1021/acs.jmedchem.2c01997 | |||
| 71452382 | 83794 | 0 | None | -53 | 10 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 309 | 4 | 1 | 3 | 2.0 | COc1ccc(CCN2C3C4C5CC6C7C5C3C7C2(O)C64)cc1 | 10.1016/j.bmcl.2012.08.046 | |||
| CHEMBL2205812 | 83794 | 0 | None | -53 | 10 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 309 | 4 | 1 | 3 | 2.0 | COc1ccc(CCN2C3C4C5CC6C7C5C3C7C2(O)C64)cc1 | 10.1016/j.bmcl.2012.08.046 | |||
| 5472 | 205818 | 75 | None | -1 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 263 | 2 | 0 | 2 | 4.0 | Clc1ccccc1CN1CCc2sccc2C1 | nan | |||
| CHEMBL1717 | 205818 | 75 | None | -1 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 263 | 2 | 0 | 2 | 4.0 | Clc1ccccc1CN1CCc2sccc2C1 | nan | |||
| CHEMBL833 | 205818 | 75 | None | -1 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 263 | 2 | 0 | 2 | 4.0 | Clc1ccccc1CN1CCc2sccc2C1 | nan | |||
| 9815633 | 99635 | 3 | None | -44 | 6 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 204 | 1 | 1 | 2 | 2.9 | c1nc(C2CCCc3sccc32)c[nH]1 | 10.1021/jm990569e | |||
| CHEMBL284213 | 99635 | 3 | None | -44 | 6 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 204 | 1 | 1 | 2 | 2.9 | c1nc(C2CCCc3sccc32)c[nH]1 | 10.1021/jm990569e | |||
| 9815633 | 99635 | 3 | None | -44 | 6 | Rat | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 204 | 1 | 1 | 2 | 2.9 | c1nc(C2CCCc3sccc32)c[nH]1 | 10.1021/jm000128r | |||
| CHEMBL284213 | 99635 | 3 | None | -44 | 6 | Rat | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 204 | 1 | 1 | 2 | 2.9 | c1nc(C2CCCc3sccc32)c[nH]1 | 10.1021/jm000128r | |||
| 21509921 | 104458 | 0 | None | -16 | 24 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 288 | 0 | 0 | 2 | 3.7 | CN1CCc2c(c3cccc4c3n2-c2ccccc2CC4)C1 | 10.1016/j.bmcl.2013.12.024 | |||
| CHEMBL3104091 | 104458 | 0 | None | -16 | 24 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 288 | 0 | 0 | 2 | 3.7 | CN1CCc2c(c3cccc4c3n2-c2ccccc2CC4)C1 | 10.1016/j.bmcl.2013.12.024 | |||
| 73346042 | 91834 | 5 | None | -1737 | 17 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 405 | 9 | 0 | 8 | 0.9 | Cn1c(=O)cnn(CCCCN2CCN(c3ccccc3OCCF)CC2)c1=O | 10.1016/j.bmc.2013.05.050 | |||
| CHEMBL2413153 | 91834 | 5 | None | -1737 | 17 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 405 | 9 | 0 | 8 | 0.9 | Cn1c(=O)cnn(CCCCN2CCN(c3ccccc3OCCF)CC2)c1=O | 10.1016/j.bmc.2013.05.050 | |||
| 21509921 | 104458 | 0 | None | -16 | 24 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 288 | 0 | 0 | 2 | 3.7 | CN1CCc2c(c3cccc4c3n2-c2ccccc2CC4)C1 | 10.1016/j.bmcl.2013.12.024 | |||
| CHEMBL3104091 | 104458 | 0 | None | -16 | 24 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 288 | 0 | 0 | 2 | 3.7 | CN1CCc2c(c3cccc4c3n2-c2ccccc2CC4)C1 | 10.1016/j.bmcl.2013.12.024 | |||
| 599482 | 202984 | 9 | None | -12 | 5 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 202 | 1 | 2 | 2 | 1.8 | COc1ccc2c3c([nH]c2c1)CNCC3 | 10.1016/j.bmcl.2003.09.027 | |||
| CHEMBL6310 | 202984 | 9 | None | -12 | 5 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 202 | 1 | 2 | 2 | 1.8 | COc1ccc2c3c([nH]c2c1)CNCC3 | 10.1016/j.bmcl.2003.09.027 | |||
| 49836302 | 18566 | 1 | None | -1 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 230 | 5 | 1 | 3 | 2.2 | C=CCc1ccccc1O[C@H](C)C1=NCCN1 | 10.1021/ml400232p | |||
| CHEMBL1276139 | 18566 | 1 | None | -1 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 230 | 5 | 1 | 3 | 2.2 | C=CCc1ccccc1O[C@H](C)C1=NCCN1 | 10.1021/ml400232p | |||
| 49836302 | 18566 | 1 | None | -1 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 230 | 5 | 1 | 3 | 2.2 | C=CCc1ccccc1O[C@H](C)C1=NCCN1 | 10.1021/jm100977d | |||
| CHEMBL1276139 | 18566 | 1 | None | -1 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 230 | 5 | 1 | 3 | 2.2 | C=CCc1ccccc1O[C@H](C)C1=NCCN1 | 10.1021/jm100977d | |||
| 49836302 | 18566 | 1 | None | -1 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 230 | 5 | 1 | 3 | 2.2 | C=CCc1ccccc1O[C@H](C)C1=NCCN1 | 10.1021/ml300064v | |||
| CHEMBL1276139 | 18566 | 1 | None | -1 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 230 | 5 | 1 | 3 | 2.2 | C=CCc1ccccc1O[C@H](C)C1=NCCN1 | 10.1021/ml300064v | |||
| 71452387 | 83803 | 0 | None | -1 | 7 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 309 | 2 | 1 | 4 | 1.7 | OC12C3C4CC5C6C4C1C6C(C53)N2Cc1ccc2c(c1)OCO2 | 10.1016/j.bmcl.2012.08.046 | |||
| CHEMBL2205829 | 83803 | 0 | None | -1 | 7 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 309 | 2 | 1 | 4 | 1.7 | OC12C3C4CC5C6C4C1C6C(C53)N2Cc1ccc2c(c1)OCO2 | 10.1016/j.bmcl.2012.08.046 | |||
| 71452387 | 83803 | 0 | None | -1 | 7 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 309 | 2 | 1 | 4 | 1.7 | OC12C3C4CC5C6C4C1C6C(C53)N2Cc1ccc2c(c1)OCO2 | 10.1016/j.bmc.2013.07.045 | |||
| CHEMBL2205829 | 83803 | 0 | None | -1 | 7 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 309 | 2 | 1 | 4 | 1.7 | OC12C3C4CC5C6C4C1C6C(C53)N2Cc1ccc2c(c1)OCO2 | 10.1016/j.bmc.2013.07.045 | |||
| 11225732 | 93657 | 0 | None | 16 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 497 | 6 | 0 | 5 | 6.7 | COc1cc2c(cc1OC)CN(Cc1ccc(OC)c3oc(-c4ccccc4C(F)(F)F)cc13)CC2 | 10.1016/j.bmcl.2006.12.094 | |||
| CHEMBL246852 | 93657 | 0 | None | 16 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 497 | 6 | 0 | 5 | 6.7 | COc1cc2c(cc1OC)CN(Cc1ccc(OC)c3oc(-c4ccccc4C(F)(F)F)cc13)CC2 | 10.1016/j.bmcl.2006.12.094 | |||
| 1816 | 2540 | 102 | None | -38 | 18 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 265 | 0 | 0 | 3 | 2.5 | CN1CCN2C(C1)c1ccccc1Cc1c2nccc1 | 10.1021/jm049632c | |||
| 4205 | 2540 | 102 | None | -38 | 18 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 265 | 0 | 0 | 3 | 2.5 | CN1CCN2C(C1)c1ccccc1Cc1c2nccc1 | 10.1021/jm049632c | |||
| 7241 | 2540 | 102 | None | -38 | 18 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 265 | 0 | 0 | 3 | 2.5 | CN1CCN2C(C1)c1ccccc1Cc1c2nccc1 | 10.1021/jm049632c | |||
| CHEMBL654 | 2540 | 102 | None | -38 | 18 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 265 | 0 | 0 | 3 | 2.5 | CN1CCN2C(C1)c1ccccc1Cc1c2nccc1 | 10.1021/jm049632c | |||
| DB00370 | 2540 | 102 | None | -38 | 18 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 265 | 0 | 0 | 3 | 2.5 | CN1CCN2C(C1)c1ccccc1Cc1c2nccc1 | 10.1021/jm049632c | |||
| 118734876 | 118738 | 0 | None | -398 | 3 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 327 | 6 | 1 | 4 | 2.4 | C[C@@H]1CCCN1CCCOc1ccc(C2=NNC(=O)[C@H]3C[C@@H]23)cc1 | 10.1016/j.ejmech.2015.03.054 | |||
| CHEMBL3417586 | 118738 | 0 | None | -398 | 3 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 327 | 6 | 1 | 4 | 2.4 | C[C@@H]1CCCN1CCCOc1ccc(C2=NNC(=O)[C@H]3C[C@@H]23)cc1 | 10.1016/j.ejmech.2015.03.054 | |||
| 181743 | 178572 | 5 | None | -91 | 22 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 339 | 2 | 0 | 5 | 3.2 | COc1cc2c3c(c1OC)-c1cc4c(cc1CC3N(C)CC2)OCO4 | 10.1016/j.bmcl.2009.11.053 | |||
| CHEMBL467094 | 178572 | 5 | None | -91 | 22 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 339 | 2 | 0 | 5 | 3.2 | COc1cc2c3c(c1OC)-c1cc4c(cc1CC3N(C)CC2)OCO4 | 10.1016/j.bmcl.2009.11.053 | |||
| 71452384 | 83797 | 0 | None | -8 | 5 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 280 | 3 | 1 | 3 | 1.4 | OC12C3C4CC5C6C4C1C6C(C53)N2CCc1ccccn1 | 10.1016/j.bmcl.2012.08.046 | |||
| CHEMBL2205816 | 83797 | 0 | None | -8 | 5 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 280 | 3 | 1 | 3 | 1.4 | OC12C3C4CC5C6C4C1C6C(C53)N2CCc1ccccn1 | 10.1016/j.bmcl.2012.08.046 | |||
| 71452384 | 83797 | 0 | None | -8 | 5 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 280 | 3 | 1 | 3 | 1.4 | OC12C3C4CC5C6C4C1C6C(C53)N2CCc1ccccn1 | 10.1016/j.bmc.2013.07.045 | |||
| CHEMBL2205816 | 83797 | 0 | None | -8 | 5 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 280 | 3 | 1 | 3 | 1.4 | OC12C3C4CC5C6C4C1C6C(C53)N2CCc1ccccn1 | 10.1016/j.bmc.2013.07.045 | |||
| 277 | 1301 | 62 | None | -42 | 50 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 287 | 0 | 0 | 1 | 4.7 | CN1CCC(=C2c3ccccc3C=Cc3c2cccc3)CC1 | nan | |||
| 2913 | 1301 | 62 | None | -42 | 50 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 287 | 0 | 0 | 1 | 4.7 | CN1CCC(=C2c3ccccc3C=Cc3c2cccc3)CC1 | nan | |||
| 765 | 1301 | 62 | None | -42 | 50 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 287 | 0 | 0 | 1 | 4.7 | CN1CCC(=C2c3ccccc3C=Cc3c2cccc3)CC1 | nan | |||
| CHEMBL516 | 1301 | 62 | None | -42 | 50 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 287 | 0 | 0 | 1 | 4.7 | CN1CCC(=C2c3ccccc3C=Cc3c2cccc3)CC1 | nan | |||
| DB00434 | 1301 | 62 | None | -42 | 50 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 287 | 0 | 0 | 1 | 4.7 | CN1CCC(=C2c3ccccc3C=Cc3c2cccc3)CC1 | nan | |||
| 71452383 | 83796 | 0 | None | -1 | 3 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 339 | 5 | 1 | 4 | 2.0 | COc1ccc(CCN2C3C4C5CC6C7C5C3C7C2(O)C64)cc1OC | 10.1016/j.bmcl.2012.08.046 | |||
| CHEMBL2205814 | 83796 | 0 | None | -1 | 3 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 339 | 5 | 1 | 4 | 2.0 | COc1ccc(CCN2C3C4C5CC6C7C5C3C7C2(O)C64)cc1OC | 10.1016/j.bmcl.2012.08.046 | |||
| 12575 | 1988 | 30 | None | -8 | 17 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 204 | 1 | 1 | 4 | 0.8 | C1CN=C(N1)C2COC3=CC=CC=C3O2 | 10.1016/j.bmcl.2006.12.094 | |||
| 54459 | 1988 | 30 | None | -8 | 17 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 204 | 1 | 1 | 4 | 0.8 | C1CN=C(N1)C2COC3=CC=CC=C3O2 | 10.1016/j.bmcl.2006.12.094 | |||
| CHEMBL10316 | 1988 | 30 | None | -8 | 17 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 204 | 1 | 1 | 4 | 0.8 | C1CN=C(N1)C2COC3=CC=CC=C3O2 | 10.1016/j.bmcl.2006.12.094 | |||
| 44438147 | 93489 | 0 | None | 19 | 3 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 406 | 5 | 1 | 9 | 2.5 | COc1cc2c(cc1OC)CN(Cc1cnc(N)n3nc(-c4ccco4)nc13)CC2 | 10.1016/j.bmcl.2006.12.094 | |||
| CHEMBL246228 | 93489 | 0 | None | 19 | 3 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 406 | 5 | 1 | 9 | 2.5 | COc1cc2c(cc1OC)CN(Cc1cnc(N)n3nc(-c4ccco4)nc13)CC2 | 10.1016/j.bmcl.2006.12.094 | |||
| 44438152 | 93608 | 0 | None | 42 | 3 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 459 | 7 | 0 | 6 | 5.7 | COc1cccc(-c2cc3c(CN4CCc5cc(OC)c(OC)cc5C4)ccc(OC)c3o2)c1 | 10.1016/j.bmcl.2006.12.094 | |||
| CHEMBL246639 | 93608 | 0 | None | 42 | 3 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 459 | 7 | 0 | 6 | 5.7 | COc1cccc(-c2cc3c(CN4CCc5cc(OC)c(OC)cc5C4)ccc(OC)c3o2)c1 | 10.1016/j.bmcl.2006.12.094 | |||
| 10176999 | 103554 | 21 | None | -11 | 3 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 231 | 2 | 2 | 4 | 2.2 | Cc1c(Nc2ncc[nH]2)ccc2c1OCCO2 | 10.1021/jm9605142 | |||
| CHEMBL308570 | 103554 | 21 | None | -11 | 3 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 231 | 2 | 2 | 4 | 2.2 | Cc1c(Nc2ncc[nH]2)ccc2c1OCCO2 | 10.1021/jm9605142 | |||
| 44402344 | 140959 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 340 | 1 | 3 | 3 | 2.6 | O=C(O)[C@@H]1C2C[C@H]3c4[nH]c5ccccc5c4CCN3C[C@@H]2CC[C@@H]1O | 10.1016/j.bmcl.2005.03.116 | |||
| CHEMBL382310 | 140959 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 340 | 1 | 3 | 3 | 2.6 | O=C(O)[C@@H]1C2C[C@H]3c4[nH]c5ccccc5c4CCN3C[C@@H]2CC[C@@H]1O | 10.1016/j.bmcl.2005.03.116 | |||
| 10220053 | 206920 | 0 | None | -3 | 3 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 218 | 2 | 1 | 2 | 1.9 | Fc1ccc2c(c1)CC(CC1CN=CN1)C2 | 10.1016/s0960-894x(03)00525-0 | |||
| CHEMBL90997 | 206920 | 0 | None | -3 | 3 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 218 | 2 | 1 | 2 | 1.9 | Fc1ccc2c(c1)CC(CC1CN=CN1)C2 | 10.1016/s0960-894x(03)00525-0 | |||
| 10220053 | 206920 | 0 | None | -3 | 3 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 218 | 2 | 1 | 2 | 1.9 | Fc1ccc2c(c1)CC(CC1CN=CN1)C2 | 10.1021/jm049619s | |||
| CHEMBL90997 | 206920 | 0 | None | -3 | 3 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 218 | 2 | 1 | 2 | 1.9 | Fc1ccc2c(c1)CC(CC1CN=CN1)C2 | 10.1021/jm049619s | |||
| 10758200 | 63417 | 0 | None | -5 | 5 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 322 | 4 | 0 | 3 | 3.2 | c1ccc(CN2CCN(CC3CCc4ccccc4O3)CC2)cc1 | 10.1016/j.bmcl.2008.08.055 | |||
| CHEMBL179648 | 63417 | 0 | None | -5 | 5 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 322 | 4 | 0 | 3 | 3.2 | c1ccc(CN2CCN(CC3CCc4ccccc4O3)CC2)cc1 | 10.1016/j.bmcl.2008.08.055 | |||
| 71151588 | 118258 | 0 | None | -1905 | 10 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 518 | 9 | 1 | 7 | 3.6 | NC(=O)c1ccccc1OCCCN1CCN(c2cccc3c2ccn3S(=O)(=O)c2ccccc2)CC1 | 10.1016/j.ejmech.2014.12.045 | |||
| CHEMBL3409256 | 118258 | 0 | None | -1905 | 10 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 518 | 9 | 1 | 7 | 3.6 | NC(=O)c1ccccc1OCCCN1CCN(c2cccc3c2ccn3S(=O)(=O)c2ccccc2)CC1 | 10.1016/j.ejmech.2014.12.045 | |||
| 9895326 | 207027 | 0 | None | -177 | 6 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 621 | 12 | 3 | 6 | 5.7 | CCC1=C(C(N)=O)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)=C(CC)N1 | 10.1021/jm980077m | |||
| CHEMBL91550 | 207027 | 0 | None | -177 | 6 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 621 | 12 | 3 | 6 | 5.7 | CCC1=C(C(N)=O)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)=C(CC)N1 | 10.1021/jm980077m | |||
| 44288769 | 101148 | 0 | None | -1737 | 7 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 542 | 7 | 1 | 4 | 4.5 | CC1=C(C(=O)NCCCN2CCC(C#N)(c3ccc(F)cc3F)CC2)[C@@H](c2ccc(F)c(F)c2)CC(=O)N1C | 10.1016/s0960-894x(99)00696-4 | |||
| CHEMBL295395 | 101148 | 0 | None | -1737 | 7 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 542 | 7 | 1 | 4 | 4.5 | CC1=C(C(=O)NCCCN2CCC(C#N)(c3ccc(F)cc3F)CC2)[C@@H](c2ccc(F)c(F)c2)CC(=O)N1C | 10.1016/s0960-894x(99)00696-4 | |||
| 11301655 | 200 | 37 | None | -1258 | 4 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 320 | 3 | 1 | 3 | 3.5 | Cc1ccc(cc1C)N1CCN(CC1)Cc1nc2c([nH]1)cccc2 | 10.1021/acs.jmedchem.7b00151 | |||
| 8441 | 200 | 37 | None | -1258 | 4 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 320 | 3 | 1 | 3 | 3.5 | Cc1ccc(cc1C)N1CCN(CC1)Cc1nc2c([nH]1)cccc2 | 10.1021/acs.jmedchem.7b00151 | |||
| CHEMBL127257 | 200 | 37 | None | -1258 | 4 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 320 | 3 | 1 | 3 | 3.5 | Cc1ccc(cc1C)N1CCN(CC1)Cc1nc2c([nH]1)cccc2 | 10.1021/acs.jmedchem.7b00151 | |||
| 44209472 | 70172 | 2 | None | -107 | 11 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 315 | 6 | 0 | 4 | 2.8 | Fc1ccc(OCCCN2CCN(c3ccccn3)CC2)cc1 | 10.1016/j.bmc.2011.12.019 | |||
| CHEMBL1940420 | 70172 | 2 | None | -107 | 11 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 315 | 6 | 0 | 4 | 2.8 | Fc1ccc(OCCCN2CCN(c3ccccn3)CC2)cc1 | 10.1016/j.bmc.2011.12.019 | |||
| 3086326 | 204531 | 22 | None | -5 | 6 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 247 | 1 | 2 | 5 | 1.7 | Clc1c(NC2=NCCN2)ccc2nccnc12 | 10.1016/0960-894X(95)00391-6 | |||
| CHEMBL72753 | 204531 | 22 | None | -5 | 6 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 247 | 1 | 2 | 5 | 1.7 | Clc1c(NC2=NCCN2)ccc2nccnc12 | 10.1016/0960-894X(95)00391-6 | |||
| 49781005 | 17214 | 0 | None | -3 | 4 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 226 | 2 | 1 | 2 | 2.5 | CO[C@H]1c2ccccc2[C@H]2C[C@@]12c1c[nH]cn1 | 10.1021/jm1006269 | |||
| CHEMBL1256503 | 17214 | 0 | None | -3 | 4 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 226 | 2 | 1 | 2 | 2.5 | CO[C@H]1c2ccccc2[C@H]2C[C@@]12c1c[nH]cn1 | 10.1021/jm1006269 | |||
| 10934575 | 204486 | 0 | None | -11 | 6 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 235 | 4 | 2 | 4 | 2.1 | CSc1ccc(C)cc1NCC1=NCCN1 | 10.1021/jm000542r | |||
| CHEMBL72441 | 204486 | 0 | None | -11 | 6 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 235 | 4 | 2 | 4 | 2.1 | CSc1ccc(C)cc1NCC1=NCCN1 | 10.1021/jm000542r | |||
| 44352207 | 18856 | 1 | None | -4 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 266 | 4 | 1 | 3 | 3.1 | CC(Oc1ccccc1-c1ccccc1)C1=NCCN1 | 10.1021/jm800250z | |||
| CHEMBL128168 | 18856 | 1 | None | -4 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 266 | 4 | 1 | 3 | 3.1 | CC(Oc1ccccc1-c1ccccc1)C1=NCCN1 | 10.1021/jm800250z | |||
| 44352207 | 18856 | 1 | None | -4 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 266 | 4 | 1 | 3 | 3.1 | CC(Oc1ccccc1-c1ccccc1)C1=NCCN1 | 10.1021/jm061487a | |||
| CHEMBL128168 | 18856 | 1 | None | -4 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 266 | 4 | 1 | 3 | 3.1 | CC(Oc1ccccc1-c1ccccc1)C1=NCCN1 | 10.1021/jm061487a | |||
| 44352207 | 18856 | 1 | None | -4 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 266 | 4 | 1 | 3 | 3.1 | CC(Oc1ccccc1-c1ccccc1)C1=NCCN1 | 10.1021/jm100977d | |||
| CHEMBL128168 | 18856 | 1 | None | -4 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 266 | 4 | 1 | 3 | 3.1 | CC(Oc1ccccc1-c1ccccc1)C1=NCCN1 | 10.1021/jm100977d | |||
| 44352207 | 18856 | 1 | None | -4 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 266 | 4 | 1 | 3 | 3.1 | CC(Oc1ccccc1-c1ccccc1)C1=NCCN1 | 10.1021/jm0408215 | |||
| CHEMBL128168 | 18856 | 1 | None | -4 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 266 | 4 | 1 | 3 | 3.1 | CC(Oc1ccccc1-c1ccccc1)C1=NCCN1 | 10.1021/jm0408215 | |||
| 44288874 | 101095 | 0 | None | -1995 | 7 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 528 | 7 | 2 | 4 | 4.2 | CC1=C(C(=O)NCCCN2CCC(C#N)(c3ccc(F)cc3F)CC2)[C@@H](c2ccc(F)c(F)c2)CC(=O)N1 | 10.1016/s0960-894x(99)00696-4 | |||
| CHEMBL295001 | 101095 | 0 | None | -1995 | 7 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 528 | 7 | 2 | 4 | 4.2 | CC1=C(C(=O)NCCCN2CCC(C#N)(c3ccc(F)cc3F)CC2)[C@@H](c2ccc(F)c(F)c2)CC(=O)N1 | 10.1016/s0960-894x(99)00696-4 | |||
| 25142456 | 82406 | 2 | None | 3 | 9 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 269 | 0 | 3 | 4 | 2.1 | Oc1cc2c(cc1O)C1c3ccccc3CNC1CO2 | 10.1021/jm0604979 | |||
| CHEMBL217299 | 82406 | 2 | None | 3 | 9 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 269 | 0 | 3 | 4 | 2.1 | Oc1cc2c(cc1O)C1c3ccccc3CNC1CO2 | 10.1021/jm0604979 | |||
| 44330679 | 208274 | 0 | None | 10 | 2 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 464 | 7 | 0 | 8 | 2.9 | COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C(C)=C/c4cccnc4)CC3)[C@@H]1CO2 | 10.1016/j.bmcl.2004.03.031 | |||
| CHEMBL98889 | 208274 | 0 | None | 10 | 2 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 464 | 7 | 0 | 8 | 2.9 | COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C(C)=C/c4cccnc4)CC3)[C@@H]1CO2 | 10.1016/j.bmcl.2004.03.031 | |||
| 9928332 | 97180 | 5 | None | -1 | 9 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 349 | 6 | 0 | 3 | 5.0 | COc1cccc2c1CCC[C@H]2CN(C)CCc1ccc2ccoc2c1 | 10.1016/s0960-894x(03)00525-0 | |||
| CHEMBL268258 | 97180 | 5 | None | -1 | 9 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 349 | 6 | 0 | 3 | 5.0 | COc1cccc2c1CCC[C@H]2CN(C)CCc1ccc2ccoc2c1 | 10.1016/s0960-894x(03)00525-0 | |||
| 9928332 | 97180 | 5 | None | -1 | 9 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 349 | 6 | 0 | 3 | 5.0 | COc1cccc2c1CCC[C@H]2CN(C)CCc1ccc2ccoc2c1 | 10.1021/jm049619s | |||
| CHEMBL268258 | 97180 | 5 | None | -1 | 9 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 349 | 6 | 0 | 3 | 5.0 | COc1cccc2c1CCC[C@H]2CN(C)CCc1ccc2ccoc2c1 | 10.1021/jm049619s | |||
| 49781887 | 17144 | 0 | None | -5 | 4 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 222 | 1 | 1 | 1 | 2.9 | c1ccc2c(c1)[C@H]1C[C@@]1(c1c[nH]cn1)C21CC1 | 10.1021/jm1006269 | |||
| CHEMBL1255617 | 17144 | 0 | None | -5 | 4 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 222 | 1 | 1 | 1 | 2.9 | c1ccc2c(c1)[C@H]1C[C@@]1(c1c[nH]cn1)C21CC1 | 10.1021/jm1006269 | |||
| 11079 | 2733 | 63 | None | -2 | 5 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 210 | 2 | 1 | 2 | 2.4 | C1CN=C(N1)Cc1cccc2c1cccc2 | 10.1016/j.bmc.2015.01.013 | |||
| 3369 | 2733 | 63 | None | -2 | 5 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 210 | 2 | 1 | 2 | 2.4 | C1CN=C(N1)Cc1cccc2c1cccc2 | 10.1016/j.bmc.2015.01.013 | |||
| 4436 | 2733 | 63 | None | -2 | 5 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 210 | 2 | 1 | 2 | 2.4 | C1CN=C(N1)Cc1cccc2c1cccc2 | 10.1016/j.bmc.2015.01.013 | |||
| 5509 | 2733 | 63 | None | -2 | 5 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 210 | 2 | 1 | 2 | 2.4 | C1CN=C(N1)Cc1cccc2c1cccc2 | 10.1016/j.bmc.2015.01.013 | |||
| CHEMBL761 | 2733 | 63 | None | -2 | 5 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 210 | 2 | 1 | 2 | 2.4 | C1CN=C(N1)Cc1cccc2c1cccc2 | 10.1016/j.bmc.2015.01.013 | |||
| DB06711 | 2733 | 63 | None | -2 | 5 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 210 | 2 | 1 | 2 | 2.4 | C1CN=C(N1)Cc1cccc2c1cccc2 | 10.1016/j.bmc.2015.01.013 | |||
| 10045713 | 166105 | 0 | None | 309 | 3 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 386 | 3 | 1 | 4 | 5.3 | Cc1nc2ccccc2c(Nc2ccc(N3CCN4CCCCC4C3)cc2)c1C | 10.1021/jm060262x | |||
| CHEMBL425983 | 166105 | 0 | None | 309 | 3 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 386 | 3 | 1 | 4 | 5.3 | Cc1nc2ccccc2c(Nc2ccc(N3CCN4CCCCC4C3)cc2)c1C | 10.1021/jm060262x | |||
| 44324887 | 165015 | 0 | None | -2 | 3 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 419 | 6 | 0 | 6 | 3.1 | COc1ccc2c(c1)C1=NOC(CN3CCN(C/C=C/c4ccccc4)CC3)C1CO2 | 10.1016/s0960-894x(03)00525-0 | |||
| CHEMBL422597 | 165015 | 0 | None | -2 | 3 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 419 | 6 | 0 | 6 | 3.1 | COc1ccc2c(c1)C1=NOC(CN3CCN(C/C=C/c4ccccc4)CC3)C1CO2 | 10.1016/s0960-894x(03)00525-0 | |||
| 102 | 4127 | 48 | None | -2 | 49 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | 10.1021/jm00019a001 | |||
| 3659 | 4127 | 48 | None | -2 | 49 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | 10.1021/jm00019a001 | |||
| 8969 | 4127 | 48 | None | -2 | 49 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | 10.1021/jm00019a001 | |||
| CHEMBL15245 | 4127 | 48 | None | -2 | 49 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | 10.1021/jm00019a001 | |||
| DB01392 | 4127 | 48 | None | -2 | 49 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | 10.1021/jm00019a001 | |||
| 10045713 | 166105 | 0 | None | 309 | 3 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 386 | 3 | 1 | 4 | 5.3 | Cc1nc2ccccc2c(Nc2ccc(N3CCN4CCCCC4C3)cc2)c1C | 10.1016/j.ejmech.2010.12.026 | |||
| CHEMBL425983 | 166105 | 0 | None | 309 | 3 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 386 | 3 | 1 | 4 | 5.3 | Cc1nc2ccccc2c(Nc2ccc(N3CCN4CCCCC4C3)cc2)c1C | 10.1016/j.ejmech.2010.12.026 | |||
| 9805944 | 56227 | 37 | None | -3 | 9 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 462 | 7 | 2 | 3 | 4.7 | CNC(=O)C(CCN1CCC(O)(c2ccc(Cl)cc2)CC1)(c1ccccc1)c1ccccc1 | 10.1021/jm800510m | |||
| CHEMBL1627 | 56227 | 37 | None | -3 | 9 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 462 | 7 | 2 | 3 | 4.7 | CNC(=O)C(CCN1CCC(O)(c2ccc(Cl)cc2)CC1)(c1ccccc1)c1ccccc1 | 10.1021/jm800510m | |||
| 73453 | 29616 | 24 | None | -3 | 17 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 561 | 4 | 3 | 6 | 2.0 | CC(C)[C@H]1C(=O)N2CCC[C@H]2[C@]2(O)O[C@](NC(=O)[C@@H]3C=C4c5cccc6[nH]cc(c56)C[C@H]4N(C)C3)(C(C)C)C(=O)N12 | nan | |||
| CHEMBL1385840 | 29616 | 24 | None | -3 | 17 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 561 | 4 | 3 | 6 | 2.0 | CC(C)[C@H]1C(=O)N2CCC[C@H]2[C@]2(O)O[C@](NC(=O)[C@@H]3C=C4c5cccc6[nH]cc(c56)C[C@H]4N(C)C3)(C(C)C)C(=O)N12 | nan | |||
| 44579271 | 187094 | 0 | None | 22 | 3 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 475 | 9 | 0 | 7 | 4.2 | c1ccc(Oc2ncccc2COCCN2CCCN(CC3COc4ccccc4O3)CC2)cc1 | 10.1016/j.bmcl.2008.08.055 | |||
| CHEMBL491419 | 187094 | 0 | None | 22 | 3 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 475 | 9 | 0 | 7 | 4.2 | c1ccc(Oc2ncccc2COCCN2CCCN(CC3COc4ccccc4O3)CC2)cc1 | 10.1016/j.bmcl.2008.08.055 | |||
| 49781887 | 17144 | 0 | None | -5 | 4 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 222 | 1 | 1 | 1 | 2.9 | c1ccc2c(c1)[C@H]1C[C@@]1(c1c[nH]cn1)C21CC1 | 10.1021/jm1006269 | |||
| CHEMBL1255617 | 17144 | 0 | None | -5 | 4 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 222 | 1 | 1 | 1 | 2.9 | c1ccc2c(c1)[C@H]1C[C@@]1(c1c[nH]cn1)C21CC1 | 10.1021/jm1006269 | |||
| 44402345 | 71431 | 0 | None | - | 1 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 496 | 5 | 4 | 5 | 3.5 | CC(C)(C)OC(=O)NCCCNC(=O)[C@@H]1C2C[C@H]3c4[nH]c5ccccc5c4CCN3C[C@@H]2CC[C@@H]1O | 10.1016/j.bmcl.2005.03.116 | |||
| CHEMBL196064 | 71431 | 0 | None | - | 1 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 496 | 5 | 4 | 5 | 3.5 | CC(C)(C)OC(=O)NCCCNC(=O)[C@@H]1C2C[C@H]3c4[nH]c5ccccc5c4CCN3C[C@@H]2CC[C@@H]1O | 10.1016/j.bmcl.2005.03.116 | |||
| 44330584 | 108119 | 0 | None | 1 | 2 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 467 | 7 | 0 | 7 | 3.3 | COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C=C/c4ccccc4F)CC3)[C@@H]1CO2 | 10.1016/j.bmcl.2004.03.031 | |||
| CHEMBL319573 | 108119 | 0 | None | 1 | 2 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 467 | 7 | 0 | 7 | 3.3 | COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C=C/c4ccccc4F)CC3)[C@@H]1CO2 | 10.1016/j.bmcl.2004.03.031 | |||
| 52943739 | 17159 | 0 | None | -6 | 4 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 210 | 1 | 1 | 1 | 2.6 | C[C@]12C[C@@]1(c1c[nH]cn1)Cc1ccccc12 | 10.1021/jm1006269 | |||
| CHEMBL1255771 | 17159 | 0 | None | -6 | 4 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 210 | 1 | 1 | 1 | 2.6 | C[C@]12C[C@@]1(c1c[nH]cn1)Cc1ccccc12 | 10.1021/jm1006269 | |||
| 135398737 | 958 | 93 | None | -3 | 89 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 10.1021/jm049632c | |||
| 38 | 958 | 93 | None | -3 | 89 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 10.1021/jm049632c | |||
| 722 | 958 | 93 | None | -3 | 89 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 10.1021/jm049632c | |||
| CHEMBL42 | 958 | 93 | None | -3 | 89 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 10.1021/jm049632c | |||
| DB00363 | 958 | 93 | None | -3 | 89 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 10.1021/jm049632c | |||
| 46225029 | 199333 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 297 | 4 | 1 | 2 | 2.4 | Fc1cccc(CCNC23OC4C5C6CC(C7C6C4C72)C53)c1 | 10.1016/j.bmcl.2009.11.019 | |||
| CHEMBL590615 | 199333 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 297 | 4 | 1 | 2 | 2.4 | Fc1cccc(CCNC23OC4C5C6CC(C7C6C4C72)C53)c1 | 10.1016/j.bmcl.2009.11.019 | |||
| 16725934 | 147423 | 0 | None | 38 | 3 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 429 | 6 | 0 | 5 | 5.7 | COc1cc2c(cc1OC)CN(Cc1ccc(OC)c3oc(-c4ccccc4)cc13)CC2 | 10.1016/j.bmcl.2006.12.094 | |||
| CHEMBL392992 | 147423 | 0 | None | 38 | 3 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 429 | 6 | 0 | 5 | 5.7 | COc1cc2c(cc1OC)CN(Cc1ccc(OC)c3oc(-c4ccccc4)cc13)CC2 | 10.1016/j.bmcl.2006.12.094 | |||
| 123981 | 16459 | 22 | None | -4 | 8 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 195 | 0 | 0 | 1 | 2.4 | CN1CCc2cccc(Cl)c2CC1 | 10.1021/jm00019a001 | |||
| CHEMBL123349 | 16459 | 22 | None | -4 | 8 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 195 | 0 | 0 | 1 | 2.4 | CN1CCc2cccc(Cl)c2CC1 | 10.1021/jm00019a001 | |||
| CHEMBL536803 | 16459 | 22 | None | -4 | 8 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 195 | 0 | 0 | 1 | 2.4 | CN1CCc2cccc(Cl)c2CC1 | 10.1021/jm00019a001 | |||
| 49781887 | 17144 | 0 | None | -5 | 4 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 222 | 1 | 1 | 1 | 2.9 | c1ccc2c(c1)[C@H]1C[C@@]1(c1c[nH]cn1)C21CC1 | 10.1021/jm1006269 | |||
| CHEMBL1255617 | 17144 | 0 | None | -5 | 4 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 222 | 1 | 1 | 1 | 2.9 | c1ccc2c(c1)[C@H]1C[C@@]1(c1c[nH]cn1)C21CC1 | 10.1021/jm1006269 | |||
| 118656529 | 120690 | 0 | None | 2 | 4 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 325 | 8 | 1 | 5 | 2.6 | Fc1cccc(CCCNCCc2ccnc(-n3ccnc3)n2)c1 | 10.1021/jm501719e | |||
| CHEMBL3407810 | 120690 | 0 | None | 2 | 4 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 325 | 8 | 1 | 5 | 2.6 | Fc1cccc(CCCNCCc2ccnc(-n3ccnc3)n2)c1 | 10.1021/jm501719e | |||
| CHEMBL3547107 | 120690 | 0 | None | 2 | 4 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 325 | 8 | 1 | 5 | 2.6 | Fc1cccc(CCCNCCc2ccnc(-n3ccnc3)n2)c1 | 10.1021/jm501719e | |||
| 44401041 | 70487 | 0 | None | -46 | 7 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 313 | 2 | 0 | 3 | 4.1 | CN(C)C[C@H]1CC2c3ccccc3Oc3ccc(F)cc3[C@H]2O1 | 10.1021/jm049632c | |||
| CHEMBL194659 | 70487 | 0 | None | -46 | 7 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 313 | 2 | 0 | 3 | 4.1 | CN(C)C[C@H]1CC2c3ccccc3Oc3ccc(F)cc3[C@H]2O1 | 10.1021/jm049632c | |||
| 12574 | 2605 | 88 | None | -87 | 6 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 241 | 2 | 2 | 6 | 0.8 | CC1=NC(=C(C(=N1)Cl)NC2=NCCN2)OC | 10.1021/jm960012o | |||
| 4810 | 2605 | 88 | None | -87 | 6 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 241 | 2 | 2 | 6 | 0.8 | CC1=NC(=C(C(=N1)Cl)NC2=NCCN2)OC | 10.1021/jm960012o | |||
| CHEMBL19236 | 2605 | 88 | None | -87 | 6 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 241 | 2 | 2 | 6 | 0.8 | CC1=NC(=C(C(=N1)Cl)NC2=NCCN2)OC | 10.1021/jm960012o | |||
| DB09242 | 2605 | 88 | None | -87 | 6 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 241 | 2 | 2 | 6 | 0.8 | CC1=NC(=C(C(=N1)Cl)NC2=NCCN2)OC | 10.1021/jm960012o | |||
| 10032383 | 110110 | 0 | None | -194 | 6 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 666 | 15 | 4 | 8 | 4.2 | CCC1=C(C(N)=O)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)=C(COCCN)N1 | 10.1016/s0960-894x(99)00484-9 | |||
| 136680387 | 110110 | 0 | None | -194 | 6 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 666 | 15 | 4 | 8 | 4.2 | CCC1=C(C(N)=O)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)=C(COCCN)N1 | 10.1016/s0960-894x(99)00484-9 | |||
| CHEMBL323579 | 110110 | 0 | None | -194 | 6 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 666 | 15 | 4 | 8 | 4.2 | CCC1=C(C(N)=O)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)=C(COCCN)N1 | 10.1016/s0960-894x(99)00484-9 | |||
| 24906200 | 193156 | 0 | None | 1 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 328 | 5 | 1 | 3 | 4.5 | c1ccc(-c2ccccc2OC(C2=NCCN2)c2ccccc2)cc1 | 10.1021/jm800250z | |||
| CHEMBL523048 | 193156 | 0 | None | 1 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 328 | 5 | 1 | 3 | 4.5 | c1ccc(-c2ccccc2OC(C2=NCCN2)c2ccccc2)cc1 | 10.1021/jm800250z | |||
| 9816063 | 103074 | 0 | None | -14 | 6 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 232 | 1 | 1 | 2 | 3.6 | Cc1sc(C)c2c1CCCC2c1c[nH]cn1 | 10.1021/jm990569e | |||
| CHEMBL30739 | 103074 | 0 | None | -14 | 6 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 232 | 1 | 1 | 2 | 3.6 | Cc1sc(C)c2c1CCCC2c1c[nH]cn1 | 10.1021/jm990569e | |||
| 2398 | 954 | 62 | None | -4 | 29 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 314 | 4 | 0 | 2 | 4.5 | CN(CCCN1c2ccccc2CCc2c1cc(Cl)cc2)C | nan | |||
| 2801 | 954 | 62 | None | -4 | 29 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 314 | 4 | 0 | 2 | 4.5 | CN(CCCN1c2ccccc2CCc2c1cc(Cl)cc2)C | nan | |||
| 701 | 954 | 62 | None | -4 | 29 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 314 | 4 | 0 | 2 | 4.5 | CN(CCCN1c2ccccc2CCc2c1cc(Cl)cc2)C | nan | |||
| CHEMBL415 | 954 | 62 | None | -4 | 29 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 314 | 4 | 0 | 2 | 4.5 | CN(CCCN1c2ccccc2CCc2c1cc(Cl)cc2)C | nan | |||
| DB01242 | 954 | 62 | None | -4 | 29 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 314 | 4 | 0 | 2 | 4.5 | CN(CCCN1c2ccccc2CCc2c1cc(Cl)cc2)C | nan | |||
| 2105 | 3054 | 37 | None | -81 | 33 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 314 | 4 | 1 | 2 | 4.3 | CCCN1C[C@H](CSC)C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3 | nan | |||
| 47811 | 3054 | 37 | None | -81 | 33 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 314 | 4 | 1 | 2 | 4.3 | CCCN1C[C@H](CSC)C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3 | nan | |||
| 48 | 3054 | 37 | None | -81 | 33 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 314 | 4 | 1 | 2 | 4.3 | CCCN1C[C@H](CSC)C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3 | nan | |||
| CHEMBL531 | 3054 | 37 | None | -81 | 33 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 314 | 4 | 1 | 2 | 4.3 | CCCN1C[C@H](CSC)C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3 | nan | |||
| DB01186 | 3054 | 37 | None | -81 | 33 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 314 | 4 | 1 | 2 | 4.3 | CCCN1C[C@H](CSC)C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3 | nan | |||
| 16090632 | 141716 | 0 | None | 46 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 348 | 4 | 3 | 5 | 3.3 | C[C@@H]1CN(c2ccc(Nc3c(CO)cnc4ccccc34)cc2)CCN1 | 10.1021/jm060262x | |||
| CHEMBL385722 | 141716 | 0 | None | 46 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 348 | 4 | 3 | 5 | 3.3 | C[C@@H]1CN(c2ccc(Nc3c(CO)cnc4ccccc34)cc2)CCN1 | 10.1021/jm060262x | |||
| 9816063 | 103074 | 0 | None | -14 | 6 | Rat | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 232 | 1 | 1 | 2 | 3.6 | Cc1sc(C)c2c1CCCC2c1c[nH]cn1 | 10.1021/jm000128r | |||
| CHEMBL30739 | 103074 | 0 | None | -14 | 6 | Rat | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 232 | 1 | 1 | 2 | 3.6 | Cc1sc(C)c2c1CCCC2c1c[nH]cn1 | 10.1021/jm000128r | |||
| 16090632 | 141716 | 0 | None | 46 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 348 | 4 | 3 | 5 | 3.3 | C[C@@H]1CN(c2ccc(Nc3c(CO)cnc4ccccc34)cc2)CCN1 | 10.1016/j.ejmech.2010.12.026 | |||
| CHEMBL385722 | 141716 | 0 | None | 46 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 348 | 4 | 3 | 5 | 3.3 | C[C@@H]1CN(c2ccc(Nc3c(CO)cnc4ccccc34)cc2)CCN1 | 10.1016/j.ejmech.2010.12.026 | |||
| 15730 | 71118 | 80 | None | 1 | 10 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 206 | 7 | 1 | 1 | 4.3 | CCCCCCCCc1ccc(O)cc1 | nan | |||
| CHEMBL195437 | 71118 | 80 | None | 1 | 10 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 206 | 7 | 1 | 1 | 4.3 | CCCCCCCCc1ccc(O)cc1 | nan | |||
| 53325861 | 56856 | 0 | None | 2 | 3 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 297 | 4 | 0 | 1 | 3.4 | CN(CCc1cccc(F)c1)[C@H]1C2C3CC4C5C3CC2C5C41 | 10.1016/j.bmcl.2010.11.075 | |||
| CHEMBL1643902 | 56856 | 0 | None | 2 | 3 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 297 | 4 | 0 | 1 | 3.4 | CN(CCc1cccc(F)c1)[C@H]1C2C3CC4C5C3CC2C5C41 | 10.1016/j.bmcl.2010.11.075 | |||
| 53325861 | 56856 | 0 | None | 2 | 3 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 297 | 4 | 0 | 1 | 3.4 | CN(CCc1cccc(F)c1)[C@H]1C2C3CC4C5C3CC2C5C41 | 10.1016/j.bmc.2013.07.045 | |||
| CHEMBL1643902 | 56856 | 0 | None | 2 | 3 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 297 | 4 | 0 | 1 | 3.4 | CN(CCc1cccc(F)c1)[C@H]1C2C3CC4C5C3CC2C5C41 | 10.1016/j.bmc.2013.07.045 | |||
| 126225 | 94976 | 5 | None | -9 | 8 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 263 | 1 | 0 | 2 | 4.2 | C=Cc1sc2ccc(Cl)c3c2c1CN(C)CC3 | 10.1021/jm00019a001 | |||
| CHEMBL25467 | 94976 | 5 | None | -9 | 8 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 263 | 1 | 0 | 2 | 4.2 | C=Cc1sc2ccc(Cl)c3c2c1CN(C)CC3 | 10.1021/jm00019a001 | |||
| 3584 | 3777 | 64 | None | -50 | 13 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1021/jm00018a001 | |||
| 5401 | 3777 | 64 | None | -50 | 13 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1021/jm00018a001 | |||
| 7302 | 3777 | 64 | None | -50 | 13 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1021/jm00018a001 | |||
| CHEMBL611 | 3777 | 64 | None | -50 | 13 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1021/jm00018a001 | |||
| DB01162 | 3777 | 64 | None | -50 | 13 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1021/jm00018a001 | |||
| 131829 | 204727 | 15 | None | -33 | 6 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 295 | 1 | 4 | 5 | 1.7 | Brc1c(NC2=NCCN2)ccc2c1NCCN2 | 10.1016/0960-894X(95)00391-6 | |||
| CHEMBL74283 | 204727 | 15 | None | -33 | 6 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 295 | 1 | 4 | 5 | 1.7 | Brc1c(NC2=NCCN2)ccc2c1NCCN2 | 10.1016/0960-894X(95)00391-6 | |||
| 1548953 | 207679 | 27 | None | 1 | 17 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 405 | 9 | 0 | 2 | 6.6 | CCN(CC)CCOc1ccc(/C(=C(/Cl)c2ccccc2)c2ccccc2)cc1 | nan | |||
| CHEMBL954 | 207679 | 27 | None | 1 | 17 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 405 | 9 | 0 | 2 | 6.6 | CCN(CC)CCOc1ccc(/C(=C(/Cl)c2ccccc2)c2ccccc2)cc1 | nan | |||
| 2683 | 102888 | 25 | None | -30 | 16 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 304 | 15 | 0 | 0 | 6.5 | CCCCCCCCCCCCCCCC[n+]1ccccc1 | nan | |||
| CHEMBL305906 | 102888 | 25 | None | -30 | 16 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 304 | 15 | 0 | 0 | 6.5 | CCCCCCCCCCCCCCCC[n+]1ccccc1 | nan | |||
| CHEMBL334255 | 102888 | 25 | None | -30 | 16 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 304 | 15 | 0 | 0 | 6.5 | CCCCCCCCCCCCCCCC[n+]1ccccc1 | nan | |||
| 11097789 | 102998 | 1 | None | -43 | 6 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 239 | 4 | 2 | 4 | 2.0 | CSc1cc(F)ccc1NCC1=NCCN1 | 10.1021/jm000542r | |||
| CHEMBL306792 | 102998 | 1 | None | -43 | 6 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 239 | 4 | 2 | 4 | 2.0 | CSc1cc(F)ccc1NCC1=NCCN1 | 10.1021/jm000542r | |||
| 11140345 | 204171 | 0 | None | -1 | 6 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 239 | 4 | 2 | 4 | 2.0 | CSc1c(F)cccc1NCC1=NCCN1 | 10.1021/jm000542r | |||
| CHEMBL70692 | 204171 | 0 | None | -1 | 6 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 239 | 4 | 2 | 4 | 2.0 | CSc1c(F)cccc1NCC1=NCCN1 | 10.1021/jm000542r | |||
| 44401194 | 71295 | 0 | None | -28 | 7 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 313 | 2 | 0 | 3 | 4.1 | CN(C)C[C@@H]1CC2c3ccccc3Oc3ccc(F)cc3[C@H]2O1 | 10.1021/jm049632c | |||
| CHEMBL195706 | 71295 | 0 | None | -28 | 7 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 313 | 2 | 0 | 3 | 4.1 | CN(C)C[C@@H]1CC2c3ccccc3Oc3ccc(F)cc3[C@H]2O1 | 10.1021/jm049632c | |||
| 1212 | 1662 | 50 | None | -54 | 65 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | nan | |||
| 204 | 1662 | 50 | None | -54 | 65 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | nan | |||
| 3372 | 1662 | 50 | None | -54 | 65 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | nan | |||
| CHEMBL726 | 1662 | 50 | None | -54 | 65 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | nan | |||
| DB00623 | 1662 | 50 | None | -54 | 65 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | nan | |||
| 448537 | 160250 | 89 | None | -21 | 25 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 268 | 4 | 2 | 2 | 4.8 | CC/C(=C(/CC)c1ccc(O)cc1)c1ccc(O)cc1 | nan | |||
| CHEMBL411 | 160250 | 89 | None | -21 | 25 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 268 | 4 | 2 | 2 | 4.8 | CC/C(=C(/CC)c1ccc(O)cc1)c1ccc(O)cc1 | nan | |||
| 26987 | 949 | 33 | None | -107 | 21 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 343 | 6 | 0 | 2 | 5.1 | Clc1ccc(cc1)[C@@](c1ccccc1)(OCC[C@H]1CCCN1C)C | 10.1038/s41586-020-2286-9 | |||
| 6063 | 949 | 33 | None | -107 | 21 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 343 | 6 | 0 | 2 | 5.1 | Clc1ccc(cc1)[C@@](c1ccccc1)(OCC[C@H]1CCCN1C)C | 10.1038/s41586-020-2286-9 | |||
| 671 | 949 | 33 | None | -107 | 21 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 343 | 6 | 0 | 2 | 5.1 | Clc1ccc(cc1)[C@@](c1ccccc1)(OCC[C@H]1CCCN1C)C | 10.1038/s41586-020-2286-9 | |||
| CHEMBL1626 | 949 | 33 | None | -107 | 21 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 343 | 6 | 0 | 2 | 5.1 | Clc1ccc(cc1)[C@@](c1ccccc1)(OCC[C@H]1CCCN1C)C | 10.1038/s41586-020-2286-9 | |||
| DB00283 | 949 | 33 | None | -107 | 21 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 343 | 6 | 0 | 2 | 5.1 | Clc1ccc(cc1)[C@@](c1ccccc1)(OCC[C@H]1CCCN1C)C | 10.1038/s41586-020-2286-9 | |||
| 3584 | 3777 | 64 | None | -50 | 13 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1021/jm980077m | |||
| 5401 | 3777 | 64 | None | -50 | 13 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1021/jm980077m | |||
| 7302 | 3777 | 64 | None | -50 | 13 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1021/jm980077m | |||
| CHEMBL611 | 3777 | 64 | None | -50 | 13 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1021/jm980077m | |||
| DB01162 | 3777 | 64 | None | -50 | 13 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1021/jm980077m | |||
| 42669828 | 121718 | 2 | None | - | 1 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 243 | 5 | 1 | 3 | 2.7 | Cc1ccccc1Cn1ccnc1CNC(C)C | 10.1016/j.bmc.2015.01.013 | |||
| CHEMBL3588911 | 121718 | 2 | None | - | 1 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 243 | 5 | 1 | 3 | 2.7 | Cc1ccccc1Cn1ccnc1CNC(C)C | 10.1016/j.bmc.2015.01.013 | |||
| 15853467 | 208134 | 0 | None | -67 | 6 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 692 | 16 | 3 | 8 | 5.6 | CCC1=C(C(N)=O)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)=C(COCCN=[N+]=[N-])N1 | 10.1016/s0960-894x(99)00484-9 | |||
| CHEMBL98063 | 208134 | 0 | None | -67 | 6 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 692 | 16 | 3 | 8 | 5.6 | CCC1=C(C(N)=O)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)=C(COCCN=[N+]=[N-])N1 | 10.1016/s0960-894x(99)00484-9 | |||
| 10326069 | 39296 | 1 | None | -125 | 9 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 589 | 10 | 3 | 8 | 3.3 | CNC(=O)C1=C(C)NC(C)=C(C(=O)NCCCN2CCC(C(=O)OC)(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1 | 10.1021/jm980506g | |||
| CHEMBL147077 | 39296 | 1 | None | -125 | 9 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 589 | 10 | 3 | 8 | 3.3 | CNC(=O)C1=C(C)NC(C)=C(C(=O)NCCCN2CCC(C(=O)OC)(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1 | 10.1021/jm980506g | |||
| 73349359 | 92543 | 0 | None | -3 | 8 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 341 | 6 | 1 | 4 | 2.9 | COc1cc(CN[C@H]2C3C4CC5C6C4CC3C6C52)cc(OC)c1OC | 10.1016/j.bmc.2013.07.045 | |||
| CHEMBL2432051 | 92543 | 0 | None | -3 | 8 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 341 | 6 | 1 | 4 | 2.9 | COc1cc(CN[C@H]2C3C4CC5C6C4CC3C6C52)cc(OC)c1OC | 10.1016/j.bmc.2013.07.045 | |||
| 44424855 | 85454 | 0 | None | 1 | 3 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 467 | 7 | 0 | 7 | 3.3 | COc1cc2c(cc1OC)C1=NOC(CN3CCN(C/C=C/c4ccc(F)cc4)CC3)C1CO2 | 10.1016/j.bmc.2007.03.053 | |||
| CHEMBL226636 | 85454 | 0 | None | 1 | 3 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 467 | 7 | 0 | 7 | 3.3 | COc1cc2c(cc1OC)C1=NOC(CN3CCN(C/C=C/c4ccc(F)cc4)CC3)C1CO2 | 10.1016/j.bmc.2007.03.053 | |||
| 44330609 | 163452 | 0 | None | -2 | 2 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 467 | 7 | 0 | 7 | 3.3 | COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C=C/c4ccc(F)cc4)CC3)[C@@H]1CO2 | 10.1016/j.bmcl.2004.03.031 | |||
| CHEMBL419894 | 163452 | 0 | None | -2 | 2 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 467 | 7 | 0 | 7 | 3.3 | COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C=C/c4ccc(F)cc4)CC3)[C@@H]1CO2 | 10.1016/j.bmcl.2004.03.031 | |||
| 10324985 | 76781 | 8 | None | -17 | 17 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 423 | 7 | 0 | 8 | 1.7 | COc1ccc2cccc(N3CCN(CCCCn4ncc(=O)n(C)c4=O)CC3)c2c1 | 10.1021/jm050725j | |||
| CHEMBL199824 | 76781 | 8 | None | -17 | 17 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 423 | 7 | 0 | 8 | 1.7 | COc1ccc2cccc(N3CCN(CCCCn4ncc(=O)n(C)c4=O)CC3)c2c1 | 10.1021/jm050725j | |||
| CHEMBL2068762 | 76781 | 8 | None | -17 | 17 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 423 | 7 | 0 | 8 | 1.7 | COc1ccc2cccc(N3CCN(CCCCn4ncc(=O)n(C)c4=O)CC3)c2c1 | 10.1021/jm050725j | |||
| 9859437 | 168022 | 0 | None | -38 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 230 | 2 | 3 | 4 | 2.3 | Cc1c(Nc2ncc[nH]2)ccc2c1NCCO2 | 10.1021/jm9605142 | |||
| CHEMBL432155 | 168022 | 0 | None | -38 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 230 | 2 | 3 | 4 | 2.3 | Cc1c(Nc2ncc[nH]2)ccc2c1NCCO2 | 10.1021/jm9605142 | |||
| 3303 | 2244 | 46 | None | -338 | 15 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 326 | 3 | 1 | 3 | 3.5 | Clc1ccc(cc1)N1CCN(CC1)Cc1c[nH]c2c1cccn2 | 10.1021/acs.jmedchem.7b00151 | |||
| 5311200 | 2244 | 46 | None | -338 | 15 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 326 | 3 | 1 | 3 | 3.5 | Clc1ccc(cc1)N1CCN(CC1)Cc1c[nH]c2c1cccn2 | 10.1021/acs.jmedchem.7b00151 | |||
| CHEMBL267014 | 2244 | 46 | None | -338 | 15 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 326 | 3 | 1 | 3 | 3.5 | Clc1ccc(cc1)N1CCN(CC1)Cc1c[nH]c2c1cccn2 | 10.1021/acs.jmedchem.7b00151 | |||
| 13149 | 2545 | 36 | None | -38 | 17 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 398 | 5 | 1 | 5 | 3.8 | CC[C@@H]1CN2CCC3=C([C@@H]2C[C@@H]1/C(=C\OC)/C(=O)OC)NC4=C3C(=CC=C4)OC | 10.1021/acs.jmedchem.9b01465 | |||
| 3034396 | 2545 | 36 | None | -38 | 17 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 398 | 5 | 1 | 5 | 3.8 | CC[C@@H]1CN2CCC3=C([C@@H]2C[C@@H]1/C(=C\OC)/C(=O)OC)NC4=C3C(=CC=C4)OC | 10.1021/acs.jmedchem.9b01465 | |||
| CHEMBL299031 | 2545 | 36 | None | -38 | 17 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 398 | 5 | 1 | 5 | 3.8 | CC[C@@H]1CN2CCC3=C([C@@H]2C[C@@H]1/C(=C\OC)/C(=O)OC)NC4=C3C(=CC=C4)OC | 10.1021/acs.jmedchem.9b01465 | |||
| 196129 | 67798 | 17 | None | -295 | 15 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 917 | 13 | 4 | 16 | 4.3 | CO[C@H]1C[C@@H](O[C@H]2C[C@H]([C@H]3O[C@](C)(O)[C@H](C)C[C@@H]3C)O[C@H]2[C@]2(C)CC[C@H]([C@]3(C)CC[C@]4(C[C@H](O)[C@@H](C)[C@@H]([C@@H](C)[C@@H]5O[C@](O)(CC(=O)O)[C@@H](C)[C@H](OC)[C@H]5OC)O4)O3)O2)O[C@@H](C)[C@@H]1OC | nan | |||
| CHEMBL1909065 | 67798 | 17 | None | -295 | 15 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 917 | 13 | 4 | 16 | 4.3 | CO[C@H]1C[C@@H](O[C@H]2C[C@H]([C@H]3O[C@](C)(O)[C@H](C)C[C@@H]3C)O[C@H]2[C@]2(C)CC[C@H]([C@]3(C)CC[C@]4(C[C@H](O)[C@@H](C)[C@@H]([C@@H](C)[C@@H]5O[C@](O)(CC(=O)O)[C@@H](C)[C@H](OC)[C@H]5OC)O4)O3)O2)O[C@@H](C)[C@@H]1OC | nan | |||
| 70693375 | 77671 | 0 | None | -5 | 4 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 244 | 5 | 1 | 3 | 2.4 | C[C@@H](Oc1ccccc1CC1CC1)C1=NCCN1 | 10.1021/ml400232p | |||
| CHEMBL2089155 | 77671 | 0 | None | -5 | 4 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 244 | 5 | 1 | 3 | 2.4 | C[C@@H](Oc1ccccc1CC1CC1)C1=NCCN1 | 10.1021/ml400232p | |||
| 11361608 | 84745 | 1 | None | -3 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 311 | 5 | 1 | 5 | 3.0 | CC(Oc1ccccc1-c1cccc([N+](=O)[O-])c1)C1=NCCN1 | 10.1021/jm061487a | |||
| CHEMBL222928 | 84745 | 1 | None | -3 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 311 | 5 | 1 | 5 | 3.0 | CC(Oc1ccccc1-c1cccc([N+](=O)[O-])c1)C1=NCCN1 | 10.1021/jm061487a | |||
| 11361608 | 84745 | 1 | None | -3 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 311 | 5 | 1 | 5 | 3.0 | CC(Oc1ccccc1-c1cccc([N+](=O)[O-])c1)C1=NCCN1 | 10.1021/jm100977d | |||
| CHEMBL222928 | 84745 | 1 | None | -3 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 311 | 5 | 1 | 5 | 3.0 | CC(Oc1ccccc1-c1cccc([N+](=O)[O-])c1)C1=NCCN1 | 10.1021/jm100977d | |||
| 11361608 | 84745 | 1 | None | -3 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 311 | 5 | 1 | 5 | 3.0 | CC(Oc1ccccc1-c1cccc([N+](=O)[O-])c1)C1=NCCN1 | 10.1021/jm0408215 | |||
| CHEMBL222928 | 84745 | 1 | None | -3 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 311 | 5 | 1 | 5 | 3.0 | CC(Oc1ccccc1-c1cccc([N+](=O)[O-])c1)C1=NCCN1 | 10.1021/jm0408215 | |||
| 11300487 | 85002 | 0 | None | -5 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 280 | 4 | 1 | 3 | 3.4 | Cc1ccccc1-c1ccccc1OC(C)C1=NCCN1 | 10.1021/jm0408215 | |||
| CHEMBL223830 | 85002 | 0 | None | -5 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 280 | 4 | 1 | 3 | 3.4 | Cc1ccccc1-c1ccccc1OC(C)C1=NCCN1 | 10.1021/jm0408215 | |||
| 70693375 | 77671 | 0 | None | -5 | 4 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 244 | 5 | 1 | 3 | 2.4 | C[C@@H](Oc1ccccc1CC1CC1)C1=NCCN1 | 10.1021/ml300064v | |||
| CHEMBL2089155 | 77671 | 0 | None | -5 | 4 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 244 | 5 | 1 | 3 | 2.4 | C[C@@H](Oc1ccccc1CC1CC1)C1=NCCN1 | 10.1021/ml300064v | |||
| 286547 | 67241 | 112 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 191 | 1 | 1 | 3 | 1.0 | CN1CCN(c2ccccc2N)CC1 | 10.1016/j.bmc.2015.01.013 | |||
| CHEMBL1879790 | 67241 | 112 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 191 | 1 | 1 | 3 | 1.0 | CN1CCN(c2ccccc2N)CC1 | 10.1016/j.bmc.2015.01.013 | |||
| 4209 | 3163 | 75 | None | -181 | 33 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm00010a001 | |||
| 4893 | 3163 | 75 | None | -181 | 33 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm00010a001 | |||
| 503 | 3163 | 75 | None | -181 | 33 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm00010a001 | |||
| 5385 | 3163 | 75 | None | -181 | 33 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm00010a001 | |||
| CHEMBL2 | 3163 | 75 | None | -181 | 33 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm00010a001 | |||
| DB00457 | 3163 | 75 | None | -181 | 33 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm00010a001 | |||
| 44314198 | 104412 | 0 | None | -8 | 4 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 210 | 3 | 1 | 3 | 2.3 | CCC[C@H]1CCCCC1NC1=NCCO1 | 10.1016/0960-894X(94)85032-1 | |||
| CHEMBL310335 | 104412 | 0 | None | -8 | 4 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 210 | 3 | 1 | 3 | 2.3 | CCC[C@H]1CCCCC1NC1=NCCO1 | 10.1016/0960-894X(94)85032-1 | |||
| 9815707 | 101469 | 0 | None | -8 | 3 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 210 | 3 | 1 | 3 | 2.3 | CCC[C@H]1CCCC[C@@H]1NC1=NCCO1 | 10.1021/jm9905256 | |||
| CHEMBL297752 | 101469 | 0 | None | -8 | 3 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 210 | 3 | 1 | 3 | 2.3 | CCC[C@H]1CCCC[C@@H]1NC1=NCCO1 | 10.1021/jm9905256 | |||
| 10490084 | 204958 | 1 | None | -11 | 3 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 237 | 2 | 2 | 2 | 2.9 | Brc1ccccc1Nc1ncc[nH]1 | 10.1021/jm9605142 | |||
| CHEMBL76457 | 204958 | 1 | None | -11 | 3 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 237 | 2 | 2 | 2 | 2.9 | Brc1ccccc1Nc1ncc[nH]1 | 10.1021/jm9605142 | |||
| 8447 | 188949 | 84 | None | -3 | 13 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 332 | 3 | 0 | 6 | 5.7 | c1ccc2sc(SSc3nc4ccccc4s3)nc2c1 | nan | |||
| CHEMBL508112 | 188949 | 84 | None | -3 | 13 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 332 | 3 | 0 | 6 | 5.7 | c1ccc2sc(SSc3nc4ccccc4s3)nc2c1 | nan | |||
| 10603951 | 206516 | 0 | None | -12 | 6 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 622 | 10 | 1 | 7 | 6.8 | CO/C(O)=C1\C(C)=NC(C)=C(C(=O)N(C)CCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1 | 10.1021/jm980077m | |||
| CHEMBL88448 | 206516 | 0 | None | -12 | 6 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 622 | 10 | 1 | 7 | 6.8 | CO/C(O)=C1\C(C)=NC(C)=C(C(=O)N(C)CCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1 | 10.1021/jm980077m | |||
| 10531532 | 207094 | 0 | None | -28 | 6 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 594 | 9 | 2 | 7 | 6.0 | CO/C(O)=C1\C(C)=NC(C)=C(C(=O)NCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1 | 10.1021/jm980077m | |||
| CHEMBL91956 | 207094 | 0 | None | -28 | 6 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 594 | 9 | 2 | 7 | 6.0 | CO/C(O)=C1\C(C)=NC(C)=C(C(=O)NCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1 | 10.1021/jm980077m | |||
| 24906243 | 187248 | 0 | None | -1 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 310 | 3 | 1 | 5 | 2.5 | COC1(C2=NCCN2)COc2cccc(-c3ccccc3)c2O1 | 10.1021/jm800250z | |||
| CHEMBL492648 | 187248 | 0 | None | -1 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 310 | 3 | 1 | 5 | 2.5 | COC1(C2=NCCN2)COc2cccc(-c3ccccc3)c2O1 | 10.1021/jm800250z | |||
| 11277479 | 84750 | 0 | None | -4 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 280 | 4 | 1 | 3 | 3.4 | Cc1cccc(-c2ccccc2OC(C)C2=NCCN2)c1 | 10.1021/jm0408215 | |||
| CHEMBL222973 | 84750 | 0 | None | -4 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 280 | 4 | 1 | 3 | 3.4 | Cc1cccc(-c2ccccc2OC(C)C2=NCCN2)c1 | 10.1021/jm0408215 | |||
| 132060733 | 162124 | 0 | None | -1 | 3 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 294 | 3 | 0 | 3 | 3.0 | c1ccc(CN2Cc3ccc(N4CCOCC4)cc3C2)cc1 | 10.1016/j.ejmech.2018.02.024 | |||
| CHEMBL4161503 | 162124 | 0 | None | -1 | 3 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 294 | 3 | 0 | 3 | 3.0 | c1ccc(CN2Cc3ccc(N4CCOCC4)cc3C2)cc1 | 10.1016/j.ejmech.2018.02.024 | |||
| 71452341 | 83697 | 7 | None | 3 | 4 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 376 | 6 | 0 | 3 | 5.3 | Cc1c(C(=O)N(CCCN2CCCCC2)c2ccccc2)oc2ccccc12 | 10.1016/j.bmc.2012.09.044 | |||
| CHEMBL2205361 | 83697 | 7 | None | 3 | 4 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 376 | 6 | 0 | 3 | 5.3 | Cc1c(C(=O)N(CCCN2CCCCC2)c2ccccc2)oc2ccccc12 | 10.1016/j.bmc.2012.09.044 | |||
| 10109188 | 166075 | 0 | None | 43 | 2 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 360 | 4 | 1 | 4 | 4.6 | CCc1c(C)nc2ccccc2c1Nc1ccc(N2CCN(C)CC2)cc1 | 10.1016/j.ejmech.2010.12.026 | |||
| CHEMBL425803 | 166075 | 0 | None | 43 | 2 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 360 | 4 | 1 | 4 | 4.6 | CCc1c(C)nc2ccccc2c1Nc1ccc(N2CCN(C)CC2)cc1 | 10.1016/j.ejmech.2010.12.026 | |||
| 100 | 3805 | 58 | None | -27 | 55 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | nan | |||
| 2637 | 3805 | 58 | None | -27 | 55 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | nan | |||
| 5452 | 3805 | 58 | None | -27 | 55 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | nan | |||
| CHEMBL479 | 3805 | 58 | None | -27 | 55 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | nan | |||
| DB00679 | 3805 | 58 | None | -27 | 55 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | nan | |||
| 10109188 | 166075 | 0 | None | 43 | 2 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 360 | 4 | 1 | 4 | 4.6 | CCc1c(C)nc2ccccc2c1Nc1ccc(N2CCN(C)CC2)cc1 | 10.1021/jm060262x | |||
| CHEMBL425803 | 166075 | 0 | None | 43 | 2 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 360 | 4 | 1 | 4 | 4.6 | CCc1c(C)nc2ccccc2c1Nc1ccc(N2CCN(C)CC2)cc1 | 10.1021/jm060262x | |||
| 44371755 | 48777 | 0 | None | -21 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 218 | 3 | 1 | 3 | 2.1 | Cc1cccc(C)c1OC(C)C1=NCCN1 | 10.1016/j.bmc.2012.01.035 | |||
| CHEMBL155866 | 48777 | 0 | None | -21 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 218 | 3 | 1 | 3 | 2.1 | Cc1cccc(C)c1OC(C)C1=NCCN1 | 10.1016/j.bmc.2012.01.035 | |||
| 11173544 | 166261 | 0 | None | -6 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 280 | 4 | 1 | 3 | 3.4 | Cc1ccc(-c2ccccc2OC(C)C2=NCCN2)cc1 | 10.1021/jm0408215 | |||
| CHEMBL426900 | 166261 | 0 | None | -6 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 280 | 4 | 1 | 3 | 3.4 | Cc1ccc(-c2ccccc2OC(C)C2=NCCN2)cc1 | 10.1021/jm0408215 | |||
| 10221004 | 204231 | 0 | None | -2 | 5 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 267 | 5 | 2 | 5 | 0.9 | CCS(=O)(=O)c1ccccc1NCC1=NCCN1 | 10.1021/jm000542r | |||
| CHEMBL70973 | 204231 | 0 | None | -2 | 5 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 267 | 5 | 2 | 5 | 0.9 | CCS(=O)(=O)c1ccccc1NCC1=NCCN1 | 10.1021/jm000542r | |||
| 73355420 | 92551 | 0 | None | 2 | 2 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 355 | 6 | 0 | 4 | 3.3 | COc1cc(CN(C)[C@H]2C3C4CC5C6C4CC3C6C52)cc(OC)c1OC | 10.1016/j.bmc.2013.07.045 | |||
| CHEMBL2432061 | 92551 | 0 | None | 2 | 2 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 355 | 6 | 0 | 4 | 3.3 | COc1cc(CN(C)[C@H]2C3C4CC5C6C4CC3C6C52)cc(OC)c1OC | 10.1016/j.bmc.2013.07.045 | |||
| 132060743 | 162236 | 0 | None | 1 | 13 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 351 | 3 | 0 | 4 | 3.1 | CN1CCN(c2ccc3c(c2)CN(C(=O)OCc2ccccc2)C3)CC1 | 10.1016/j.ejmech.2018.02.024 | |||
| CHEMBL4163428 | 162236 | 0 | None | 1 | 13 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 351 | 3 | 0 | 4 | 3.1 | CN1CCN(c2ccc3c(c2)CN(C(=O)OCc2ccccc2)C3)CC1 | 10.1016/j.ejmech.2018.02.024 | |||
| 3168 | 9262 | 92 | None | -63 | 21 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 379 | 6 | 1 | 4 | 3.7 | O=C(CCCN1CC=C(n2c(=O)[nH]c3ccccc32)CC1)c1ccc(F)cc1 | nan | |||
| CHEMBL1108 | 9262 | 92 | None | -63 | 21 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 379 | 6 | 1 | 4 | 3.7 | O=C(CCCN1CC=C(n2c(=O)[nH]c3ccccc32)CC1)c1ccc(F)cc1 | nan | |||
| 11090351 | 163391 | 0 | None | 2 | 4 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 271 | 4 | 2 | 5 | 0.6 | CS(=O)(=O)c1c(F)cccc1NCC1=NCCN1 | 10.1021/jm000542r | |||
| CHEMBL419448 | 163391 | 0 | None | 2 | 4 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 271 | 4 | 2 | 5 | 0.6 | CS(=O)(=O)c1c(F)cccc1NCC1=NCCN1 | 10.1021/jm000542r | |||
| 16757089 | 92291 | 1 | None | -3 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 311 | 5 | 1 | 5 | 3.0 | C[C@@H](Oc1ccccc1-c1cccc([N+](=O)[O-])c1)C1=NCCN1 | 10.1021/jm061487a | |||
| CHEMBL242693 | 92291 | 1 | None | -3 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 311 | 5 | 1 | 5 | 3.0 | C[C@@H](Oc1ccccc1-c1cccc([N+](=O)[O-])c1)C1=NCCN1 | 10.1021/jm061487a | |||
| 16757089 | 92291 | 1 | None | -3 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 311 | 5 | 1 | 5 | 3.0 | C[C@@H](Oc1ccccc1-c1cccc([N+](=O)[O-])c1)C1=NCCN1 | 10.1021/jm100977d | |||
| CHEMBL242693 | 92291 | 1 | None | -3 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 311 | 5 | 1 | 5 | 3.0 | C[C@@H](Oc1ccccc1-c1cccc([N+](=O)[O-])c1)C1=NCCN1 | 10.1021/jm100977d | |||
| 10220232 | 99721 | 6 | None | -1 | 6 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 230 | 1 | 1 | 2 | 3.5 | Cc1sc(C)c2c1CCC=C2c1c[nH]cn1 | 10.1021/jm990569e | |||
| CHEMBL284795 | 99721 | 6 | None | -1 | 6 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 230 | 1 | 1 | 2 | 3.5 | Cc1sc(C)c2c1CCC=C2c1c[nH]cn1 | 10.1021/jm990569e | |||
| 135 | 2532 | 43 | None | -6 | 58 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | nan | |||
| 1796 | 2532 | 43 | None | -6 | 58 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | nan | |||
| 4184 | 2532 | 43 | None | -6 | 58 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | nan | |||
| CHEMBL6437 | 2532 | 43 | None | -6 | 58 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | nan | |||
| DB06148 | 2532 | 43 | None | -6 | 58 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | nan | |||
| 10219 | 188796 | 37 | None | -2 | 5 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 480 | 7 | 1 | 6 | 4.9 | CC[C@H]1CN2CCc3cc(OC)c(OC)cc3[C@@H]2C[C@@H]1C[C@H]1NCCc2cc(OC)c(OC)cc21 | nan | |||
| CHEMBL493439 | 188796 | 37 | None | -2 | 5 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 480 | 7 | 1 | 6 | 4.9 | CC[C@H]1CN2CCc3cc(OC)c(OC)cc3[C@@H]2C[C@@H]1C[C@H]1NCCc2cc(OC)c(OC)cc21 | nan | |||
| CHEMBL50588 | 188796 | 37 | None | -2 | 5 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 480 | 7 | 1 | 6 | 4.9 | CC[C@H]1CN2CCc3cc(OC)c(OC)cc3[C@@H]2C[C@@H]1C[C@H]1NCCc2cc(OC)c(OC)cc21 | nan | |||
| 44401243 | 168494 | 0 | None | -10 | 9 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 329 | 2 | 0 | 3 | 4.6 | CN(C)C[C@H]1CC2c3ccccc3Oc3ccc(Cl)cc3[C@H]2O1 | 10.1021/jm049632c | |||
| CHEMBL435301 | 168494 | 0 | None | -10 | 9 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 329 | 2 | 0 | 3 | 4.6 | CN(C)C[C@H]1CC2c3ccccc3Oc3ccc(Cl)cc3[C@H]2O1 | 10.1021/jm049632c | |||
| 10220232 | 99721 | 6 | None | -1 | 6 | Rat | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 230 | 1 | 1 | 2 | 3.5 | Cc1sc(C)c2c1CCC=C2c1c[nH]cn1 | 10.1021/jm000128r | |||
| CHEMBL284795 | 99721 | 6 | None | -1 | 6 | Rat | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 230 | 1 | 1 | 2 | 3.5 | Cc1sc(C)c2c1CCC=C2c1c[nH]cn1 | 10.1021/jm000128r | |||
| 24906199 | 187665 | 15 | None | 1 | 3 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 258 | 4 | 1 | 3 | 3.1 | CC(Oc1ccccc1C1CCCC1)C1=NCCN1 | 10.1021/jm800250z | |||
| CHEMBL495096 | 187665 | 15 | None | 1 | 3 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 258 | 4 | 1 | 3 | 3.1 | CC(Oc1ccccc1C1CCCC1)C1=NCCN1 | 10.1021/jm800250z | |||
| 164615845 | 185190 | 0 | None | -2 | 6 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 389 | 2 | 1 | 4 | 3.7 | O=C(O)c1ccc(C#Cc2ccc3c(c2)C=C([N+](=O)[O-])C(C(F)(F)F)O3)cc1 | 10.1016/j.bmcl.2021.128008 | |||
| CHEMBL4857492 | 185190 | 0 | None | -2 | 6 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 389 | 2 | 1 | 4 | 3.7 | O=C(O)c1ccc(C#Cc2ccc3c(c2)C=C([N+](=O)[O-])C(C(F)(F)F)O3)cc1 | 10.1016/j.bmcl.2021.128008 | |||
| 2162 | 41514 | 100 | None | -1 | 6 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 408 | 8 | 2 | 7 | 2.3 | CCOC(=O)C1=C(COCCN)NC(C)=C(C(=O)OC)C1c1ccccc1Cl | nan | |||
| CHEMBL1491 | 41514 | 100 | None | -1 | 6 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 408 | 8 | 2 | 7 | 2.3 | CCOC(=O)C1=C(COCCN)NC(C)=C(C(=O)OC)C1c1ccccc1Cl | nan | |||
| 44269122 | 98109 | 2 | None | -9 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 190 | 3 | 1 | 3 | 1.5 | CC(Oc1ccccc1)C1=NCCN1 | 10.1021/jm800250z | |||
| CHEMBL273485 | 98109 | 2 | None | -9 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 190 | 3 | 1 | 3 | 1.5 | CC(Oc1ccccc1)C1=NCCN1 | 10.1021/jm800250z | |||
| 45487144 | 197701 | 0 | None | -9 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 190 | 2 | 1 | 3 | 1.7 | CC(OC1=NCCN1)c1ccccc1 | 10.1021/jm901262f | |||
| CHEMBL571314 | 197701 | 0 | None | -9 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 190 | 2 | 1 | 3 | 1.7 | CC(OC1=NCCN1)c1ccccc1 | 10.1021/jm901262f | |||
| 44269122 | 98109 | 2 | None | -9 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 190 | 3 | 1 | 3 | 1.5 | CC(Oc1ccccc1)C1=NCCN1 | 10.1021/jm100977d | |||
| CHEMBL273485 | 98109 | 2 | None | -9 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 190 | 3 | 1 | 3 | 1.5 | CC(Oc1ccccc1)C1=NCCN1 | 10.1021/jm100977d | |||
| 10903226 | 13770 | 0 | None | -3 | 4 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 281 | 6 | 2 | 5 | 1.3 | CCCS(=O)(=O)c1ccccc1NCC1=NCCN1 | 10.1021/jm000542r | |||
| CHEMBL1195368 | 13770 | 0 | None | -3 | 4 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 281 | 6 | 2 | 5 | 1.3 | CCCS(=O)(=O)c1ccccc1NCC1=NCCN1 | 10.1021/jm000542r | |||
| CHEMBL554416 | 13770 | 0 | None | -3 | 4 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 281 | 6 | 2 | 5 | 1.3 | CCCS(=O)(=O)c1ccccc1NCC1=NCCN1 | 10.1021/jm000542r | |||
| 1353 | 1911 | 93 | None | -87 | 83 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | nan | |||
| 3559 | 1911 | 93 | None | -87 | 83 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | nan | |||
| 86 | 1911 | 93 | None | -87 | 83 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | nan | |||
| CHEMBL54 | 1911 | 93 | None | -87 | 83 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | nan | |||
| DB00502 | 1911 | 93 | None | -87 | 83 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | nan | |||
| 11000184 | 13052 | 0 | None | -6 | 6 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 235 | 5 | 2 | 4 | 2.2 | CCSc1ccccc1NCC1=NCCN1 | 10.1021/jm000542r | |||
| CHEMBL1190038 | 13052 | 0 | None | -6 | 6 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 235 | 5 | 2 | 4 | 2.2 | CCSc1ccccc1NCC1=NCCN1 | 10.1021/jm000542r | |||
| CHEMBL540035 | 13052 | 0 | None | -6 | 6 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 235 | 5 | 2 | 4 | 2.2 | CCSc1ccccc1NCC1=NCCN1 | 10.1021/jm000542r | |||
| 45487089 | 197640 | 0 | None | -10 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 204 | 2 | 1 | 3 | 2.0 | Cc1ccccc1C(C)OC1=NCCN1 | 10.1021/jm901262f | |||
| CHEMBL570863 | 197640 | 0 | None | -10 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 204 | 2 | 1 | 3 | 2.0 | Cc1ccccc1C(C)OC1=NCCN1 | 10.1021/jm901262f | |||
| 10923927 | 204178 | 0 | None | -4 | 4 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 279 | 3 | 2 | 5 | 0.8 | O=S1(=O)CCCc2cccc(NCC3=NCCN3)c21 | 10.1021/jm000542r | |||
| CHEMBL70740 | 204178 | 0 | None | -4 | 4 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 279 | 3 | 2 | 5 | 0.8 | O=S1(=O)CCCc2cccc(NCC3=NCCN3)c21 | 10.1021/jm000542r | |||
| 3080926 | 155595 | 21 | None | -10 | 3 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 186 | 1 | 1 | 3 | 1.8 | c1ccc2oc(C3=NCCN3)cc2c1 | 10.1021/ml400232p | |||
| CHEMBL404505 | 155595 | 21 | None | -10 | 3 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 186 | 1 | 1 | 3 | 1.8 | c1ccc2oc(C3=NCCN3)cc2c1 | 10.1021/ml400232p | |||
| 185076 | 187090 | 5 | None | -7 | 7 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 227 | 1 | 2 | 5 | 1.3 | Cc1c(NC2=NCCN2)ccc2nccnc12 | 10.1021/jm960359r | |||
| CHEMBL49137 | 187090 | 5 | None | -7 | 7 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 227 | 1 | 2 | 5 | 1.3 | Cc1c(NC2=NCCN2)ccc2nccnc12 | 10.1021/jm960359r | |||
| 133 | 2496 | 52 | None | -26 | 42 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 403 | 4 | 1 | 4 | 4.1 | O=C(OCc1ccccc1)NC[C@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)cn3C | nan | |||
| 1723 | 2496 | 52 | None | -26 | 42 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 403 | 4 | 1 | 4 | 4.1 | O=C(OCc1ccccc1)NC[C@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)cn3C | nan | |||
| 28693 | 2496 | 52 | None | -26 | 42 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 403 | 4 | 1 | 4 | 4.1 | O=C(OCc1ccccc1)NC[C@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)cn3C | nan | |||
| CHEMBL19215 | 2496 | 52 | None | -26 | 42 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 403 | 4 | 1 | 4 | 4.1 | O=C(OCc1ccccc1)NC[C@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)cn3C | nan | |||
| DB13520 | 2496 | 52 | None | -26 | 42 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 403 | 4 | 1 | 4 | 4.1 | O=C(OCc1ccccc1)NC[C@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)cn3C | nan | |||
| 185076 | 187090 | 5 | None | -7 | 7 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 227 | 1 | 2 | 5 | 1.3 | Cc1c(NC2=NCCN2)ccc2nccnc12 | 10.1021/jm9605142 | |||
| CHEMBL49137 | 187090 | 5 | None | -7 | 7 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 227 | 1 | 2 | 5 | 1.3 | Cc1c(NC2=NCCN2)ccc2nccnc12 | 10.1021/jm9605142 | |||
| 3930 | 2151 | 43 | None | 53 | 3 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 368 | 3 | 1 | 4 | 4.9 | CN1CCN(CC1)c1ccc(cc1)Nc1c2ccccc2nc2c1cccc2 | 10.1016/j.ejmech.2010.12.026 | |||
| 540335 | 2151 | 43 | None | 53 | 3 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 368 | 3 | 1 | 4 | 4.9 | CN1CCN(CC1)c1ccc(cc1)Nc1c2ccccc2nc2c1cccc2 | 10.1016/j.ejmech.2010.12.026 | |||
| CHEMBL106525 | 2151 | 43 | None | 53 | 3 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 368 | 3 | 1 | 4 | 4.9 | CN1CCN(CC1)c1ccc(cc1)Nc1c2ccccc2nc2c1cccc2 | 10.1016/j.ejmech.2010.12.026 | |||
| 139406787 | 177145 | 0 | None | -2 | 4 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 492 | 5 | 2 | 5 | 5.8 | O=C(O)c1cc(-c2ccc(C3CCNCC3)cc2)cc(-c2cn(-c3ccc(C(F)(F)F)cc3)nn2)c1 | 10.1021/acs.jmedchem.0c00745 | |||
| CHEMBL4633982 | 177145 | 0 | None | -2 | 4 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 492 | 5 | 2 | 5 | 5.8 | O=C(O)c1cc(-c2ccc(C3CCNCC3)cc2)cc(-c2cn(-c3ccc(C(F)(F)F)cc3)nn2)c1 | 10.1021/acs.jmedchem.0c00745 | |||
| 11057 | 176149 | 23 | None | -1 | 20 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 372 | 4 | 0 | 2 | 4.5 | CN(C)c1ccc(C(=C2C=CC(=[N+](C)C)C=C2)c2ccc(N(C)C)cc2)cc1 | nan | |||
| 3468 | 176149 | 23 | None | -1 | 20 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 372 | 4 | 0 | 2 | 4.5 | CN(C)c1ccc(C(=C2C=CC(=[N+](C)C)C=C2)c2ccc(N(C)C)cc2)cc1 | nan | |||
| CHEMBL459265 | 176149 | 23 | None | -1 | 20 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 372 | 4 | 0 | 2 | 4.5 | CN(C)c1ccc(C(=C2C=CC(=[N+](C)C)C=C2)c2ccc(N(C)C)cc2)cc1 | nan | |||
| CHEMBL64894 | 176149 | 23 | None | -1 | 20 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 372 | 4 | 0 | 2 | 4.5 | CN(C)c1ccc(C(=C2C=CC(=[N+](C)C)C=C2)c2ccc(N(C)C)cc2)cc1 | nan | |||
| 57345628 | 71183 | 0 | None | -26 | 4 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 244 | 5 | 1 | 3 | 2.4 | CC(Oc1ccccc1CC1CC1)C1=NCCN1 | 10.1021/ml400232p | |||
| CHEMBL1956195 | 71183 | 0 | None | -26 | 4 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 244 | 5 | 1 | 3 | 2.4 | CC(Oc1ccccc1CC1CC1)C1=NCCN1 | 10.1021/ml400232p | |||
| 70695474 | 77672 | 0 | None | -47 | 4 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 244 | 5 | 1 | 3 | 2.4 | C[C@H](Oc1ccccc1CC1CC1)C1=NCCN1 | 10.1021/ml400232p | |||
| CHEMBL2089156 | 77672 | 0 | None | -47 | 4 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 244 | 5 | 1 | 3 | 2.4 | C[C@H](Oc1ccccc1CC1CC1)C1=NCCN1 | 10.1021/ml400232p | |||
| 122442272 | 138348 | 0 | None | -9 | 15 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 239 | 5 | 1 | 2 | 2.6 | C=CCOc1cc(F)c(F)cc1C1CC1CN | 10.1021/acs.jmedchem.5b01153 | |||
| CHEMBL3769968 | 138348 | 0 | None | -9 | 15 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 239 | 5 | 1 | 2 | 2.6 | C=CCOc1cc(F)c(F)cc1C1CC1CN | 10.1021/acs.jmedchem.5b01153 | |||
| CHEMBL3771384 | 138348 | 0 | None | -9 | 15 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 239 | 5 | 1 | 2 | 2.6 | C=CCOc1cc(F)c(F)cc1C1CC1CN | 10.1021/acs.jmedchem.5b01153 | |||
| 44371864 | 51141 | 0 | None | -8 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 246 | 5 | 1 | 3 | 2.6 | CCc1cccc(CC)c1OC(C)C1=NCCN1 | 10.1016/j.bmc.2012.01.035 | |||
| CHEMBL157955 | 51141 | 0 | None | -8 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 246 | 5 | 1 | 3 | 2.6 | CCc1cccc(CC)c1OC(C)C1=NCCN1 | 10.1016/j.bmc.2012.01.035 | |||
| 57345628 | 71183 | 0 | None | -26 | 4 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 244 | 5 | 1 | 3 | 2.4 | CC(Oc1ccccc1CC1CC1)C1=NCCN1 | 10.1016/j.bmc.2012.01.035 | |||
| CHEMBL1956195 | 71183 | 0 | None | -26 | 4 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 244 | 5 | 1 | 3 | 2.4 | CC(Oc1ccccc1CC1CC1)C1=NCCN1 | 10.1016/j.bmc.2012.01.035 | |||
| 57345628 | 71183 | 0 | None | -26 | 4 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 244 | 5 | 1 | 3 | 2.4 | CC(Oc1ccccc1CC1CC1)C1=NCCN1 | 10.1021/ml300064v | |||
| CHEMBL1956195 | 71183 | 0 | None | -26 | 4 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 244 | 5 | 1 | 3 | 2.4 | CC(Oc1ccccc1CC1CC1)C1=NCCN1 | 10.1021/ml300064v | |||
| 70695474 | 77672 | 0 | None | -47 | 4 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 244 | 5 | 1 | 3 | 2.4 | C[C@H](Oc1ccccc1CC1CC1)C1=NCCN1 | 10.1021/ml300064v | |||
| CHEMBL2089156 | 77672 | 0 | None | -47 | 4 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 244 | 5 | 1 | 3 | 2.4 | C[C@H](Oc1ccccc1CC1CC1)C1=NCCN1 | 10.1021/ml300064v | |||
| 122442272 | 138348 | 0 | None | -9 | 15 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 239 | 5 | 1 | 2 | 2.6 | C=CCOc1cc(F)c(F)cc1C1CC1CN | 10.1021/acs.jmedchem.5b01153 | |||
| CHEMBL3769968 | 138348 | 0 | None | -9 | 15 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 239 | 5 | 1 | 2 | 2.6 | C=CCOc1cc(F)c(F)cc1C1CC1CN | 10.1021/acs.jmedchem.5b01153 | |||
| CHEMBL3771384 | 138348 | 0 | None | -9 | 15 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 239 | 5 | 1 | 2 | 2.6 | C=CCOc1cc(F)c(F)cc1C1CC1CN | 10.1021/acs.jmedchem.5b01153 | |||
| 73346336 | 92545 | 0 | None | -5 | 6 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 325 | 5 | 0 | 2 | 3.0 | CN(CCCc1cccc(F)c1)[C@H]1C2C3CC4C2C(=O)C2C4C3C21 | 10.1016/j.bmc.2013.07.045 | |||
| CHEMBL2432054 | 92545 | 0 | None | -5 | 6 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 325 | 5 | 0 | 2 | 3.0 | CN(CCCc1cccc(F)c1)[C@H]1C2C3CC4C2C(=O)C2C4C3C21 | 10.1016/j.bmc.2013.07.045 | |||
| 3930 | 2151 | 43 | None | 53 | 3 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 368 | 3 | 1 | 4 | 4.9 | CN1CCN(CC1)c1ccc(cc1)Nc1c2ccccc2nc2c1cccc2 | 10.1021/jm060262x | |||
| 540335 | 2151 | 43 | None | 53 | 3 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 368 | 3 | 1 | 4 | 4.9 | CN1CCN(CC1)c1ccc(cc1)Nc1c2ccccc2nc2c1cccc2 | 10.1021/jm060262x | |||
| CHEMBL106525 | 2151 | 43 | None | 53 | 3 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 368 | 3 | 1 | 4 | 4.9 | CN1CCN(CC1)c1ccc(cc1)Nc1c2ccccc2nc2c1cccc2 | 10.1021/jm060262x | |||
| 518 | 3612 | 1 | None | -1 | 6 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 299 | 0 | 0 | 2 | 3.8 | CN1CCc2c3c(C1)c(Br)oc3ccc2Cl | 10.1021/jm00019a001 | |||
| 9839317 | 3612 | 1 | None | -1 | 6 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 299 | 0 | 0 | 2 | 3.8 | CN1CCc2c3c(C1)c(Br)oc3ccc2Cl | 10.1021/jm00019a001 | |||
| CHEMBL123138 | 3612 | 1 | None | -1 | 6 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 299 | 0 | 0 | 2 | 3.8 | CN1CCc2c3c(C1)c(Br)oc3ccc2Cl | 10.1021/jm00019a001 | |||
| 1268096 | 16165 | 26 | None | 3 | 4 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 352 | 1 | 1 | 4 | 3.2 | COC(=O)C1=CO[C@@H](C)[C@@H]2CN3CCc4c([nH]c5ccccc45)[C@H]3C[C@H]12 | 10.1021/jm00019a001 | |||
| CHEMBL122404 | 16165 | 26 | None | 3 | 4 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 352 | 1 | 1 | 4 | 3.2 | COC(=O)C1=CO[C@@H](C)[C@@H]2CN3CCc4c([nH]c5ccccc45)[C@H]3C[C@H]12 | 10.1021/jm00019a001 | |||
| 185076 | 187090 | 5 | None | -7 | 7 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 227 | 1 | 2 | 5 | 1.3 | Cc1c(NC2=NCCN2)ccc2nccnc12 | 10.1016/0960-894X(95)00391-6 | |||
| CHEMBL49137 | 187090 | 5 | None | -7 | 7 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 227 | 1 | 2 | 5 | 1.3 | Cc1c(NC2=NCCN2)ccc2nccnc12 | 10.1016/0960-894X(95)00391-6 | |||
| 3157 | 1470 | 71 | None | -39 | 10 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 451 | 4 | 2 | 8 | 1.5 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1COc2c(O1)cccc2 | 10.1021/jm00018a001 | |||
| 7170 | 1470 | 71 | None | -39 | 10 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 451 | 4 | 2 | 8 | 1.5 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1COc2c(O1)cccc2 | 10.1021/jm00018a001 | |||
| 954 | 1470 | 71 | None | -39 | 10 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 451 | 4 | 2 | 8 | 1.5 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1COc2c(O1)cccc2 | 10.1021/jm00018a001 | |||
| CHEMBL707 | 1470 | 71 | None | -39 | 10 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 451 | 4 | 2 | 8 | 1.5 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1COc2c(O1)cccc2 | 10.1021/jm00018a001 | |||
| DB00590 | 1470 | 71 | None | -39 | 10 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 451 | 4 | 2 | 8 | 1.5 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1COc2c(O1)cccc2 | 10.1021/jm00018a001 | |||
| 10793963 | 99672 | 0 | None | -30 | 6 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 622 | 11 | 2 | 7 | 6.8 | CO/C(O)=C1\C(C)=NC(C)=C(C(=O)NCCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1 | 10.1021/jm980077m | |||
| CHEMBL284470 | 99672 | 0 | None | -30 | 6 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 622 | 11 | 2 | 7 | 6.8 | CO/C(O)=C1\C(C)=NC(C)=C(C(=O)NCCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1 | 10.1021/jm980077m | |||
| 57345626 | 71180 | 2 | None | -12 | 4 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 268 | 3 | 1 | 3 | 2.2 | CC(Oc1ccccc1Br)C1=NCCN1 | 10.1021/ml400232p | |||
| CHEMBL1956192 | 71180 | 2 | None | -12 | 4 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 268 | 3 | 1 | 3 | 2.2 | CC(Oc1ccccc1Br)C1=NCCN1 | 10.1021/ml400232p | |||
| 57345626 | 71180 | 2 | None | -12 | 4 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 268 | 3 | 1 | 3 | 2.2 | CC(Oc1ccccc1Br)C1=NCCN1 | 10.1016/j.bmc.2012.01.035 | |||
| CHEMBL1956192 | 71180 | 2 | None | -12 | 4 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 268 | 3 | 1 | 3 | 2.2 | CC(Oc1ccccc1Br)C1=NCCN1 | 10.1016/j.bmc.2012.01.035 | |||
| 44312037 | 204619 | 1 | None | -2 | 6 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 308 | 1 | 1 | 5 | 2.9 | Brc1c(NC2=NCCS2)ccc2nccnc12 | 10.1016/0960-894X(95)00391-6 | |||
| CHEMBL73392 | 204619 | 1 | None | -2 | 6 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 308 | 1 | 1 | 5 | 2.9 | Brc1c(NC2=NCCS2)ccc2nccnc12 | 10.1016/0960-894X(95)00391-6 | |||
| 213 | 3853 | 55 | None | -6 | 44 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 371 | 5 | 0 | 6 | 2.4 | Clc1cccc(c1)N1CCN(CC1)CCCn1nc2n(c1=O)cccc2 | nan | |||
| 2717 | 3853 | 55 | None | -6 | 44 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 371 | 5 | 0 | 6 | 2.4 | Clc1cccc(c1)N1CCN(CC1)CCCn1nc2n(c1=O)cccc2 | nan | |||
| 5533 | 3853 | 55 | None | -6 | 44 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 371 | 5 | 0 | 6 | 2.4 | Clc1cccc(c1)N1CCN(CC1)CCCn1nc2n(c1=O)cccc2 | nan | |||
| CHEMBL621 | 3853 | 55 | None | -6 | 44 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 371 | 5 | 0 | 6 | 2.4 | Clc1cccc(c1)N1CCN(CC1)CCCn1nc2n(c1=O)cccc2 | nan | |||
| DB00656 | 3853 | 55 | None | -6 | 44 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 371 | 5 | 0 | 6 | 2.4 | Clc1cccc(c1)N1CCN(CC1)CCCn1nc2n(c1=O)cccc2 | nan | |||
| 2247 | 505 | 81 | None | -25 | 42 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | nan | |||
| 249 | 505 | 81 | None | -25 | 42 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | nan | |||
| 2603 | 505 | 81 | None | -25 | 42 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | nan | |||
| CHEMBL296419 | 505 | 81 | None | -25 | 42 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | nan | |||
| DB00637 | 505 | 81 | None | -25 | 42 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | nan | |||
| 2335 | 11848 | 22 | None | -2 | 12 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 412 | 11 | 0 | 2 | 6.1 | CC(C)(C)CC(C)(C)c1ccc(OCCOCC[N+](C)(C)Cc2ccccc2)cc1 | nan | |||
| 8478 | 11848 | 22 | None | -2 | 12 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 412 | 11 | 0 | 2 | 6.1 | CC(C)(C)CC(C)(C)c1ccc(OCCOCC[N+](C)(C)Cc2ccccc2)cc1 | nan | |||
| CHEMBL1182210 | 11848 | 22 | None | -2 | 12 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 412 | 11 | 0 | 2 | 6.1 | CC(C)(C)CC(C)(C)c1ccc(OCCOCC[N+](C)(C)Cc2ccccc2)cc1 | nan | |||
| CHEMBL221753 | 11848 | 22 | None | -2 | 12 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 412 | 11 | 0 | 2 | 6.1 | CC(C)(C)CC(C)(C)c1ccc(OCCOCC[N+](C)(C)Cc2ccccc2)cc1 | nan | |||
| 136680386 | 207703 | 0 | None | -60 | 6 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 680 | 16 | 4 | 8 | 4.6 | CCC1=C(C(N)=O)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)=C(COCCCN)N1 | 10.1016/s0960-894x(99)00484-9 | |||
| 44328801 | 207703 | 0 | None | -60 | 6 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 680 | 16 | 4 | 8 | 4.6 | CCC1=C(C(N)=O)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)=C(COCCCN)N1 | 10.1016/s0960-894x(99)00484-9 | |||
| CHEMBL95578 | 207703 | 0 | None | -60 | 6 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 680 | 16 | 4 | 8 | 4.6 | CCC1=C(C(N)=O)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)=C(COCCCN)N1 | 10.1016/s0960-894x(99)00484-9 | |||
| 132060720 | 162489 | 0 | None | -7 | 9 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 315 | 4 | 0 | 2 | 4.9 | COc1cccc(-c2ccc3c(c2)CN(Cc2ccccc2)C3)c1 | 10.1016/j.ejmech.2018.02.024 | |||
| CHEMBL4167315 | 162489 | 0 | None | -7 | 9 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 315 | 4 | 0 | 2 | 4.9 | COc1cccc(-c2ccc3c(c2)CN(Cc2ccccc2)C3)c1 | 10.1016/j.ejmech.2018.02.024 | |||
| 68712 | 100338 | 60 | None | -1 | 5 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 180 | 3 | 1 | 3 | 1.2 | C1COC(NC(C2CC2)C2CC2)=N1 | 10.1016/0960-894X(94)85032-1 | |||
| CHEMBL289480 | 100338 | 60 | None | -1 | 5 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 180 | 3 | 1 | 3 | 1.2 | C1COC(NC(C2CC2)C2CC2)=N1 | 10.1016/0960-894X(94)85032-1 | |||
| 44371745 | 49289 | 0 | None | -12 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 218 | 4 | 1 | 3 | 2.0 | CCc1ccccc1OC(C)C1=NCCN1 | 10.1016/j.bmc.2012.01.035 | |||
| CHEMBL156336 | 49289 | 0 | None | -12 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 218 | 4 | 1 | 3 | 2.0 | CCc1ccccc1OC(C)C1=NCCN1 | 10.1016/j.bmc.2012.01.035 | |||
| 25130235 | 187587 | 1 | None | -8 | 11 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 294 | 2 | 1 | 6 | 1.3 | CN1CCN(c2cc(-c3ccc(C#N)cc3)nc(N)n2)CC1 | 10.1021/jm8005959 | |||
| CHEMBL494678 | 187587 | 1 | None | -8 | 11 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 294 | 2 | 1 | 6 | 1.3 | CN1CCN(c2cc(-c3ccc(C#N)cc3)nc(N)n2)CC1 | 10.1021/jm8005959 | |||
| 10682720 | 205162 | 0 | None | -7 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 259 | 3 | 2 | 3 | 3.8 | COc1cc(C)c(Nc2ncc[nH]2)cc1C(C)(C)C | 10.1021/jm9605142 | |||
| CHEMBL78190 | 205162 | 0 | None | -7 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 259 | 3 | 2 | 3 | 3.8 | COc1cc(C)c(Nc2ncc[nH]2)cc1C(C)(C)C | 10.1021/jm9605142 | |||
| 44579186 | 181976 | 0 | None | 2 | 3 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 474 | 8 | 1 | 7 | 3.1 | O=C(NCCN1CCN(CC2COc3ccccc3O2)CC1)c1cccnc1Oc1ccccc1 | 10.1016/j.bmcl.2008.08.055 | |||
| CHEMBL478026 | 181976 | 0 | None | 2 | 3 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 474 | 8 | 1 | 7 | 3.1 | O=C(NCCN1CCN(CC2COc3ccccc3O2)CC1)c1cccnc1Oc1ccccc1 | 10.1016/j.bmcl.2008.08.055 | |||
| 44402583 | 71414 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 425 | 5 | 4 | 4 | 2.5 | O=C(O)CCCNC(=O)[C@@H]1C2C[C@H]3c4[nH]c5ccccc5c4CCN3C[C@@H]2CC[C@@H]1O | 10.1016/j.bmcl.2005.03.116 | |||
| CHEMBL195925 | 71414 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 425 | 5 | 4 | 4 | 2.5 | O=C(O)CCCNC(=O)[C@@H]1C2C[C@H]3c4[nH]c5ccccc5c4CCN3C[C@@H]2CC[C@@H]1O | 10.1016/j.bmcl.2005.03.116 | |||
| 44215744 | 207442 | 0 | None | 1 | 3 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 473 | 6 | 0 | 7 | 3.8 | COc1cc2c(cc1OC)C1=NOC(CN3CCN(Cc4ccc5ccccc5c4)CC3)C1CO2 | 10.1016/s0960-894x(03)00525-0 | |||
| CHEMBL94129 | 207442 | 0 | None | 1 | 3 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 473 | 6 | 0 | 7 | 3.8 | COc1cc2c(cc1OC)C1=NOC(CN3CCN(Cc4ccc5ccccc5c4)CC3)C1CO2 | 10.1016/s0960-894x(03)00525-0 | |||
| 2389 | 3331 | 118 | None | -10 | 67 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | 10.1021/jm049632c | |||
| 5073 | 3331 | 118 | None | -10 | 67 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | 10.1021/jm049632c | |||
| 96 | 3331 | 118 | None | -10 | 67 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | 10.1021/jm049632c | |||
| CHEMBL85 | 3331 | 118 | None | -10 | 67 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | 10.1021/jm049632c | |||
| DB00734 | 3331 | 118 | None | -10 | 67 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | 10.1021/jm049632c | |||
| 44438168 | 93818 | 0 | None | 53 | 3 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 533 | 7 | 0 | 7 | 4.7 | COc1cc2c(cc1OC)CN(Cc1ccc(OC)c3oc(C(=O)N4CCC(N5CCCC5)CC4)cc13)CC2 | 10.1016/j.bmcl.2006.12.094 | |||
| CHEMBL247665 | 93818 | 0 | None | 53 | 3 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 533 | 7 | 0 | 7 | 4.7 | COc1cc2c(cc1OC)CN(Cc1ccc(OC)c3oc(C(=O)N4CCC(N5CCCC5)CC4)cc13)CC2 | 10.1016/j.bmcl.2006.12.094 | |||
| 11653915 | 124012 | 0 | None | 1 | 6 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 296 | 4 | 2 | 5 | 2.6 | COc1cccc(N(NC2=NCCN2)c2ccc(C)cc2)c1 | 10.1016/j.bmcl.2005.07.083 | |||
| CHEMBL362954 | 124012 | 0 | None | 1 | 6 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 296 | 4 | 2 | 5 | 2.6 | COc1cccc(N(NC2=NCCN2)c2ccc(C)cc2)c1 | 10.1016/j.bmcl.2005.07.083 | |||
| 16090630 | 83237 | 0 | None | 309 | 3 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 390 | 4 | 2 | 5 | 4.3 | Cc1nc2ccccc2c(Nc2ccc(N3CCN(C)C(C)(C)C3)cc2)c1CO | 10.1021/jm060262x | |||
| CHEMBL218675 | 83237 | 0 | None | 309 | 3 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 390 | 4 | 2 | 5 | 4.3 | Cc1nc2ccccc2c(Nc2ccc(N3CCN(C)C(C)(C)C3)cc2)c1CO | 10.1021/jm060262x | |||
| 135 | 2532 | 43 | None | -6 | 58 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | 10.1021/jm049632c | |||
| 1796 | 2532 | 43 | None | -6 | 58 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | 10.1021/jm049632c | |||
| 4184 | 2532 | 43 | None | -6 | 58 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | 10.1021/jm049632c | |||
| CHEMBL6437 | 2532 | 43 | None | -6 | 58 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | 10.1021/jm049632c | |||
| DB06148 | 2532 | 43 | None | -6 | 58 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | 10.1021/jm049632c | |||
| 16090630 | 83237 | 0 | None | 309 | 3 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 390 | 4 | 2 | 5 | 4.3 | Cc1nc2ccccc2c(Nc2ccc(N3CCN(C)C(C)(C)C3)cc2)c1CO | 10.1016/j.ejmech.2010.12.026 | |||
| CHEMBL218675 | 83237 | 0 | None | 309 | 3 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 390 | 4 | 2 | 5 | 4.3 | Cc1nc2ccccc2c(Nc2ccc(N3CCN(C)C(C)(C)C3)cc2)c1CO | 10.1016/j.ejmech.2010.12.026 | |||
| 2803 | 955 | 58 | None | -4 | 19 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | 10.1021/jm960012o | |||
| 516 | 955 | 58 | None | -4 | 19 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | 10.1021/jm960012o | |||
| 704 | 955 | 58 | None | -4 | 19 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | 10.1021/jm960012o | |||
| CHEMBL134 | 955 | 58 | None | -4 | 19 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | 10.1021/jm960012o | |||
| DB00575 | 955 | 58 | None | -4 | 19 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | 10.1021/jm960012o | |||
| 2216 | 446 | 50 | None | -3 | 6 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 244 | 1 | 3 | 4 | 1.9 | Nc1cc(Cl)c(c(c1)Cl)NC1=NCCN1 | 10.1021/jm960359r | |||
| 229 | 446 | 50 | None | -3 | 6 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 244 | 1 | 3 | 4 | 1.9 | Nc1cc(Cl)c(c(c1)Cl)NC1=NCCN1 | 10.1021/jm960359r | |||
| 7117 | 446 | 50 | None | -3 | 6 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 244 | 1 | 3 | 4 | 1.9 | Nc1cc(Cl)c(c(c1)Cl)NC1=NCCN1 | 10.1021/jm960359r | |||
| CHEMBL647 | 446 | 50 | None | -3 | 6 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 244 | 1 | 3 | 4 | 1.9 | Nc1cc(Cl)c(c(c1)Cl)NC1=NCCN1 | 10.1021/jm960359r | |||
| DB00964 | 446 | 50 | None | -3 | 6 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 244 | 1 | 3 | 4 | 1.9 | Nc1cc(Cl)c(c(c1)Cl)NC1=NCCN1 | 10.1021/jm960359r | |||
| 2803 | 955 | 58 | None | -4 | 19 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | 10.1021/jm960359r | |||
| 516 | 955 | 58 | None | -4 | 19 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | 10.1021/jm960359r | |||
| 704 | 955 | 58 | None | -4 | 19 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | 10.1021/jm960359r | |||
| CHEMBL134 | 955 | 58 | None | -4 | 19 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | 10.1021/jm960359r | |||
| DB00575 | 955 | 58 | None | -4 | 19 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | 10.1021/jm960359r | |||
| 1971 | 2866 | 38 | None | -3 | 30 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 263 | 3 | 1 | 1 | 3.8 | CNCCC=C1c2ccccc2CCc2c1cccc2 | nan | |||
| 2404 | 2866 | 38 | None | -3 | 30 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 263 | 3 | 1 | 1 | 3.8 | CNCCC=C1c2ccccc2CCc2c1cccc2 | nan | |||
| 4543 | 2866 | 38 | None | -3 | 30 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 263 | 3 | 1 | 1 | 3.8 | CNCCC=C1c2ccccc2CCc2c1cccc2 | nan | |||
| CHEMBL445 | 2866 | 38 | None | -3 | 30 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 263 | 3 | 1 | 1 | 3.8 | CNCCC=C1c2ccccc2CCc2c1cccc2 | nan | |||
| DB00540 | 2866 | 38 | None | -3 | 30 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 263 | 3 | 1 | 1 | 3.8 | CNCCC=C1c2ccccc2CCc2c1cccc2 | nan | |||
| 44325027 | 207074 | 0 | None | 1 | 2 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 474 | 6 | 0 | 8 | 3.2 | COc1cc2c(cc1OC)C1=NOC(CN3CCN(Cc4cnc5ccccc5c4)CC3)C1CO2 | 10.1016/s0960-894x(03)00525-0 | |||
| CHEMBL91824 | 207074 | 0 | None | 1 | 2 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 474 | 6 | 0 | 8 | 3.2 | COc1cc2c(cc1OC)C1=NOC(CN3CCN(Cc4cnc5ccccc5c4)CC3)C1CO2 | 10.1016/s0960-894x(03)00525-0 | |||
| 521 | 1404 | 69 | None | -30 | 7 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 200 | 2 | 1 | 1 | 3.2 | Cc1cccc(c1C)[C@@H](c1c[nH]cn1)C | 10.1021/jm061487a | |||
| 5311068 | 1404 | 69 | None | -30 | 7 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 200 | 2 | 1 | 1 | 3.2 | Cc1cccc(c1C)[C@@H](c1c[nH]cn1)C | 10.1021/jm061487a | |||
| 835 | 1404 | 69 | None | -30 | 7 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 200 | 2 | 1 | 1 | 3.2 | Cc1cccc(c1C)[C@@H](c1c[nH]cn1)C | 10.1021/jm061487a | |||
| CHEMBL778 | 1404 | 69 | None | -30 | 7 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 200 | 2 | 1 | 1 | 3.2 | Cc1cccc(c1C)[C@@H](c1c[nH]cn1)C | 10.1021/jm061487a | |||
| DB00633 | 1404 | 69 | None | -30 | 7 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 200 | 2 | 1 | 1 | 3.2 | Cc1cccc(c1C)[C@@H](c1c[nH]cn1)C | 10.1021/jm061487a | |||
| 9960497 | 100476 | 0 | None | -933 | 6 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 609 | 10 | 1 | 8 | 6.9 | CO/C(O)=C1\C(C)=NC(C)=C(C(=O)OCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1 | 10.1021/jm00010a001 | |||
| CHEMBL290860 | 100476 | 0 | None | -933 | 6 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 609 | 10 | 1 | 8 | 6.9 | CO/C(O)=C1\C(C)=NC(C)=C(C(=O)OCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1 | 10.1021/jm00010a001 | |||
| 9894818 | 98925 | 0 | None | -93 | 7 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 593 | 10 | 3 | 6 | 4.9 | CC1=C(C(N)=O)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)=C(C)N1 | 10.1021/jm980077m | |||
| CHEMBL279436 | 98925 | 0 | None | -93 | 7 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 593 | 10 | 3 | 6 | 4.9 | CC1=C(C(N)=O)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)=C(C)N1 | 10.1021/jm980077m | |||
| 10333157 | 151238 | 0 | None | -3 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 266 | 4 | 1 | 3 | 3.1 | C[C@H](Oc1ccccc1-c1ccccc1)C1=NCCN1 | 10.1021/jm061487a | |||
| CHEMBL396013 | 151238 | 0 | None | -3 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 266 | 4 | 1 | 3 | 3.1 | C[C@H](Oc1ccccc1-c1ccccc1)C1=NCCN1 | 10.1021/jm061487a | |||
| 10333157 | 151238 | 0 | None | -3 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 266 | 4 | 1 | 3 | 3.1 | C[C@H](Oc1ccccc1-c1ccccc1)C1=NCCN1 | 10.1021/jm100977d | |||
| CHEMBL396013 | 151238 | 0 | None | -3 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 266 | 4 | 1 | 3 | 3.1 | C[C@H](Oc1ccccc1-c1ccccc1)C1=NCCN1 | 10.1021/jm100977d | |||
| 11246610 | 84312 | 0 | None | -2 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 311 | 5 | 1 | 5 | 3.0 | CC(Oc1ccccc1-c1ccc([N+](=O)[O-])cc1)C1=NCCN1 | 10.1021/jm0408215 | |||
| CHEMBL221523 | 84312 | 0 | None | -2 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 311 | 5 | 1 | 5 | 3.0 | CC(Oc1ccccc1-c1ccc([N+](=O)[O-])cc1)C1=NCCN1 | 10.1021/jm0408215 | |||
| 44209480 | 70170 | 0 | None | -281 | 11 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 313 | 6 | 0 | 3 | 3.4 | Fc1ccc(CCCCN2CCN(c3ccccn3)CC2)cc1 | 10.1016/j.bmc.2011.12.019 | |||
| CHEMBL1940418 | 70170 | 0 | None | -281 | 11 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 313 | 6 | 0 | 3 | 3.4 | Fc1ccc(CCCCN2CCN(c3ccccn3)CC2)cc1 | 10.1016/j.bmc.2011.12.019 | |||
| 73353884 | 92322 | 0 | None | -2 | 8 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 295 | 3 | 1 | 3 | 2.7 | c1cc2c(cc1CN[C@H]1C3C4CC5C6C4CC3C6C51)OCO2 | 10.1016/j.bmc.2013.07.045 | |||
| CHEMBL2429890 | 92322 | 0 | None | -2 | 8 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 295 | 3 | 1 | 3 | 2.7 | c1cc2c(cc1CN[C@H]1C3C4CC5C6C4CC3C6C51)OCO2 | 10.1016/j.bmc.2013.07.045 | |||
| 11173568 | 84641 | 0 | None | -8 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 281 | 4 | 2 | 4 | 2.7 | CC(Oc1ccccc1-c1cccc(N)c1)C1=NCCN1 | 10.1021/jm0408215 | |||
| CHEMBL222371 | 84641 | 0 | None | -8 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 281 | 4 | 2 | 4 | 2.7 | CC(Oc1ccccc1-c1cccc(N)c1)C1=NCCN1 | 10.1021/jm0408215 | |||
| 24906160 | 169456 | 0 | None | -4 | 3 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 247 | 5 | 1 | 5 | 1.4 | CO/N=C/c1ccccc1OC(C)C1=NCCN1 | 10.1021/jm800250z | |||
| CHEMBL442815 | 169456 | 0 | None | -4 | 3 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 247 | 5 | 1 | 5 | 1.4 | CO/N=C/c1ccccc1OC(C)C1=NCCN1 | 10.1021/jm800250z | |||
| 75306277 | 109254 | 0 | None | -15 | 23 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 308 | 0 | 0 | 3 | 4.2 | CN1CCC2C(C1)c1cccc3c1N2c1ccccc1CS3 | 10.1039/C2MD00311B | |||
| CHEMBL3217984 | 109254 | 0 | None | -15 | 23 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 308 | 0 | 0 | 3 | 4.2 | CN1CCC2C(C1)c1cccc3c1N2c1ccccc1CS3 | 10.1039/C2MD00311B | |||
| 49836308 | 18784 | 0 | None | 1 | 3 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 282 | 4 | 2 | 4 | 2.8 | C[C@@H](Oc1ccccc1-c1cccc(O)c1)C1=NCCN1 | 10.1021/jm100977d | |||
| CHEMBL1278084 | 18784 | 0 | None | 1 | 3 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 282 | 4 | 2 | 4 | 2.8 | C[C@@H](Oc1ccccc1-c1cccc(O)c1)C1=NCCN1 | 10.1021/jm100977d | |||
| 44288945 | 168915 | 0 | None | -794 | 7 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 485 | 7 | 2 | 3 | 4.4 | CC1=C(C(=O)NCCCN2CCC(c3ccc(F)cc3)CC2)[C@@H](c2ccc(F)c(F)c2)CC(=O)N1 | 10.1016/s0960-894x(99)00696-4 | |||
| CHEMBL43860 | 168915 | 0 | None | -794 | 7 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 485 | 7 | 2 | 3 | 4.4 | CC1=C(C(=O)NCCCN2CCC(c3ccc(F)cc3)CC2)[C@@H](c2ccc(F)c(F)c2)CC(=O)N1 | 10.1016/s0960-894x(99)00696-4 | |||
| 49836306 | 18575 | 0 | None | -1 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 272 | 4 | 1 | 4 | 3.2 | C[C@@H](Oc1ccccc1-c1ccsc1)C1=NCCN1 | 10.1021/jm100977d | |||
| CHEMBL1276247 | 18575 | 0 | None | -1 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 272 | 4 | 1 | 4 | 3.2 | C[C@@H](Oc1ccccc1-c1ccsc1)C1=NCCN1 | 10.1021/jm100977d | |||
| 12488 | 1657 | 56 | None | -2 | 23 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 404 | 6 | 0 | 2 | 5.4 | C1CN(CCN1C/C=C/C2=CC=CC=C2)C(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F | nan | |||
| 941361 | 1657 | 56 | None | -2 | 23 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 404 | 6 | 0 | 2 | 5.4 | C1CN(CCN1C/C=C/C2=CC=CC=C2)C(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F | nan | |||
| CHEMBL30008 | 1657 | 56 | None | -2 | 23 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 404 | 6 | 0 | 2 | 5.4 | C1CN(CCN1C/C=C/C2=CC=CC=C2)C(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F | nan | |||
| DB04841 | 1657 | 56 | None | -2 | 23 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 404 | 6 | 0 | 2 | 5.4 | C1CN(CCN1C/C=C/C2=CC=CC=C2)C(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F | nan | |||
| 44402352 | 71626 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 396 | 4 | 4 | 4 | 1.9 | NCCCNC(=O)[C@@H]1C2C[C@H]3c4[nH]c5ccccc5c4CCN3C[C@@H]2CC[C@@H]1O | 10.1016/j.bmcl.2005.03.116 | |||
| CHEMBL196344 | 71626 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 396 | 4 | 4 | 4 | 1.9 | NCCCNC(=O)[C@@H]1C2C[C@H]3c4[nH]c5ccccc5c4CCN3C[C@@H]2CC[C@@H]1O | 10.1016/j.bmcl.2005.03.116 | |||
| 10266032 | 188881 | 0 | None | -2 | 3 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 286 | 5 | 1 | 3 | 3.5 | c1ccc(CCC[C@H]2CCCC[C@@H]2NC2=NCCO2)cc1 | 10.1021/jm9905256 | |||
| CHEMBL50720 | 188881 | 0 | None | -2 | 3 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 286 | 5 | 1 | 3 | 3.5 | c1ccc(CCC[C@H]2CCCC[C@@H]2NC2=NCCO2)cc1 | 10.1021/jm9905256 | |||
| 10841387 | 99618 | 0 | None | -91 | 6 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 607 | 10 | 3 | 6 | 5.2 | CNC(=O)C1=C(C)NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1 | 10.1021/jm00019a001 | |||
| CHEMBL284103 | 99618 | 0 | None | -91 | 6 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 607 | 10 | 3 | 6 | 5.2 | CNC(=O)C1=C(C)NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1 | 10.1021/jm00019a001 | |||
| 9894818 | 98925 | 0 | None | -93 | 7 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 593 | 10 | 3 | 6 | 4.9 | CC1=C(C(N)=O)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)=C(C)N1 | 10.1021/jm980077m | |||
| CHEMBL279436 | 98925 | 0 | None | -93 | 7 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 593 | 10 | 3 | 6 | 4.9 | CC1=C(C(N)=O)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)=C(C)N1 | 10.1021/jm980077m | |||
| 10841387 | 99618 | 0 | None | -91 | 6 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 607 | 10 | 3 | 6 | 5.2 | CNC(=O)C1=C(C)NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1 | 10.1021/jm980077m | |||
| CHEMBL284103 | 99618 | 0 | None | -91 | 6 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 607 | 10 | 3 | 6 | 5.2 | CNC(=O)C1=C(C)NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1 | 10.1021/jm980077m | |||
| 44390749 | 63910 | 0 | None | -173 | 6 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 607 | 11 | 3 | 6 | 5.3 | CC1=C(C(N)=O)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)=C(C)N1 | 10.1016/s0960-894x(99)00484-9 | |||
| CHEMBL180561 | 63910 | 0 | None | -173 | 6 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 607 | 11 | 3 | 6 | 5.3 | CC1=C(C(N)=O)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)=C(C)N1 | 10.1016/s0960-894x(99)00484-9 | |||
| 44579184 | 190953 | 4 | None | 2 | 3 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 340 | 4 | 0 | 5 | 2.7 | COc1ccccc1N1CCN(CC2COc3ccccc3O2)CC1 | 10.1016/j.bmcl.2008.08.055 | |||
| CHEMBL518592 | 190953 | 4 | None | 2 | 3 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 340 | 4 | 0 | 5 | 2.7 | COc1ccccc1N1CCN(CC2COc3ccccc3O2)CC1 | 10.1016/j.bmcl.2008.08.055 | |||
| 294234 | 102893 | 3 | None | -6 | 4 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 182 | 1 | 1 | 3 | 1.7 | C1CCCC(NC2=NCCO2)CC1 | 10.1016/0960-894X(94)85032-1 | |||
| CHEMBL305928 | 102893 | 3 | None | -6 | 4 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 182 | 1 | 1 | 3 | 1.7 | C1CCCC(NC2=NCCO2)CC1 | 10.1016/0960-894X(94)85032-1 | |||
| 487 | 3634 | 21 | None | -912 | 11 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 609 | 10 | 1 | 8 | 6.0 | COC(=O)C1=C(C)NC(=C([C@H]1c1cccc(c1)[N+](=O)[O-])C(=O)OCCCN1CCC(CC1)(c1ccccc1)c1ccccc1)C | 10.1021/jm00010a001 | |||
| 60602 | 3634 | 21 | None | -912 | 11 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 609 | 10 | 1 | 8 | 6.0 | COC(=O)C1=C(C)NC(=C([C@H]1c1cccc(c1)[N+](=O)[O-])C(=O)OCCCN1CCC(CC1)(c1ccccc1)c1ccccc1)C | 10.1021/jm00010a001 | |||
| CHEMBL405355 | 3634 | 21 | None | -912 | 11 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 609 | 10 | 1 | 8 | 6.0 | COC(=O)C1=C(C)NC(=C([C@H]1c1cccc(c1)[N+](=O)[O-])C(=O)OCCCN1CCC(CC1)(c1ccccc1)c1ccccc1)C | 10.1021/jm00010a001 | |||
| DB09239 | 3634 | 21 | None | -912 | 11 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 609 | 10 | 1 | 8 | 6.0 | COC(=O)C1=C(C)NC(=C([C@H]1c1cccc(c1)[N+](=O)[O-])C(=O)OCCCN1CCC(CC1)(c1ccccc1)c1ccccc1)C | 10.1021/jm00010a001 | |||
| 11186227 | 84722 | 0 | None | -9 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 282 | 4 | 2 | 4 | 2.8 | CC(Oc1ccccc1-c1ccc(O)cc1)C1=NCCN1 | 10.1021/jm0408215 | |||
| CHEMBL222798 | 84722 | 0 | None | -9 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 282 | 4 | 2 | 4 | 2.8 | CC(Oc1ccccc1-c1ccc(O)cc1)C1=NCCN1 | 10.1021/jm0408215 | |||
| 44582676 | 189779 | 0 | None | -2 | 17 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 403 | 9 | 0 | 4 | 4.3 | COc1c(OCCF)cccc1C(=O)C1CCN(CCc2ccc(F)cc2)CC1 | 10.1016/j.bmc.2009.03.021 | |||
| CHEMBL516088 | 189779 | 0 | None | -2 | 17 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 403 | 9 | 0 | 4 | 4.3 | COc1c(OCCF)cccc1C(=O)C1CCN(CCc2ccc(F)cc2)CC1 | 10.1016/j.bmc.2009.03.021 | |||
| 9884781 | 38674 | 1 | None | -1 | 5 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 350 | 3 | 0 | 4 | 3.0 | c1ccc2c(c1)CC(CN1CCN(c3ccc4c(c3)OCCO4)CC1)C2 | 10.1021/acs.jmedchem.7b00151 | |||
| CHEMBL146556 | 38674 | 1 | None | -1 | 5 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 350 | 3 | 0 | 4 | 3.0 | c1ccc2c(c1)CC(CN1CCN(c3ccc4c(c3)OCCO4)CC1)C2 | 10.1021/acs.jmedchem.7b00151 | |||
| 24906196 | 187246 | 0 | None | 1 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 261 | 6 | 1 | 5 | 1.8 | CCO/N=C/c1ccccc1OC(C)C1=NCCN1 | 10.1021/jm800250z | |||
| CHEMBL492639 | 187246 | 0 | None | 1 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 261 | 6 | 1 | 5 | 1.8 | CCO/N=C/c1ccccc1OC(C)C1=NCCN1 | 10.1021/jm800250z | |||
| CHEMBL4778870 | 214047 | 8 | None | -9 | 5 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | None | None | None | CC1CCN(c2ccnc(NCc3cn(C)cn3)n2)CC1 | 10.6019/CHEMBL4800732 | |||||
| 10319299 | 81587 | 0 | None | 48 | 2 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 408 | 4 | 1 | 4 | 5.7 | Cc1nc2ccccc2c(Nc2ccc(N3CCN(C)CC3)cc2)c1-c1ccccc1 | 10.1016/j.ejmech.2010.12.026 | |||
| CHEMBL216290 | 81587 | 0 | None | 48 | 2 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 408 | 4 | 1 | 4 | 5.7 | Cc1nc2ccccc2c(Nc2ccc(N3CCN(C)CC3)cc2)c1-c1ccccc1 | 10.1016/j.ejmech.2010.12.026 | |||
| 10132386 | 97098 | 2 | None | 63 | 2 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 346 | 3 | 1 | 4 | 4.3 | Cc1nc2ccccc2c(Nc2ccc(N3CCN(C)CC3)cc2)c1C | 10.1016/j.ejmech.2010.12.026 | |||
| CHEMBL267464 | 97098 | 2 | None | 63 | 2 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 346 | 3 | 1 | 4 | 4.3 | Cc1nc2ccccc2c(Nc2ccc(N3CCN(C)CC3)cc2)c1C | 10.1016/j.ejmech.2010.12.026 | |||
| 16090621 | 141575 | 0 | None | 2 | 3 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 422 | 5 | 1 | 4 | 5.6 | Cc1nc2ccccc2c(Nc2ccc(N3CCN(C)CC3)cc2)c1Cc1ccccc1 | 10.1016/j.ejmech.2010.12.026 | |||
| CHEMBL384925 | 141575 | 0 | None | 2 | 3 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 422 | 5 | 1 | 4 | 5.6 | Cc1nc2ccccc2c(Nc2ccc(N3CCN(C)CC3)cc2)c1Cc1ccccc1 | 10.1016/j.ejmech.2010.12.026 | |||
| 9794524 | 204843 | 2 | None | -10 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 225 | 2 | 2 | 4 | 2.4 | Cc1c(Nc2ncc[nH]2)ccc2nccnc12 | 10.1021/jm9605142 | |||
| CHEMBL75491 | 204843 | 2 | None | -10 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 225 | 2 | 2 | 4 | 2.4 | Cc1c(Nc2ncc[nH]2)ccc2nccnc12 | 10.1021/jm9605142 | |||
| CHEMBL4778870 | 214047 | 8 | None | -9 | 5 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | None | None | None | CC1CCN(c2ccnc(NCc3cn(C)cn3)n2)CC1 | 10.6019/CHEMBL4800732 | |||||
| 28417 | 40039 | 49 | None | -1 | 12 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 337 | 0 | 1 | 3 | 4.2 | C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=Cc5oncc5C[C@]4(C)[C@H]3CC[C@@]21C | nan | |||
| CHEMBL1479 | 40039 | 49 | None | -1 | 12 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 337 | 0 | 1 | 3 | 4.2 | C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=Cc5oncc5C[C@]4(C)[C@H]3CC[C@@]21C | nan | |||
| 1267 | 3804 | 49 | None | -144 | 26 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 292 | 2 | 2 | 2 | 2.8 | S=C(N1CCC(CC1)c1cnc[nH]1)NC1CCCCC1 | 10.1021/jm8003625 | |||
| 3035905 | 3804 | 49 | None | -144 | 26 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 292 | 2 | 2 | 2 | 2.8 | S=C(N1CCC(CC1)c1cnc[nH]1)NC1CCCCC1 | 10.1021/jm8003625 | |||
| CHEMBL260374 | 3804 | 49 | None | -144 | 26 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 292 | 2 | 2 | 2 | 2.8 | S=C(N1CCC(CC1)c1cnc[nH]1)NC1CCCCC1 | 10.1021/jm8003625 | |||
| CHEMBL4798829 | 214053 | 7 | None | -6 | 2 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | None | None | None | c1ccc2oc(-c3csc(C4CCN(Cc5nc6ncccc6[nH]5)CC4)n3)cc2c1 | 10.6019/CHEMBL5212743 | |||||
| 10319299 | 81587 | 0 | None | 48 | 2 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 408 | 4 | 1 | 4 | 5.7 | Cc1nc2ccccc2c(Nc2ccc(N3CCN(C)CC3)cc2)c1-c1ccccc1 | 10.1021/jm060262x | |||
| CHEMBL216290 | 81587 | 0 | None | 48 | 2 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 408 | 4 | 1 | 4 | 5.7 | Cc1nc2ccccc2c(Nc2ccc(N3CCN(C)CC3)cc2)c1-c1ccccc1 | 10.1021/jm060262x | |||
| 10132386 | 97098 | 2 | None | 63 | 2 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 346 | 3 | 1 | 4 | 4.3 | Cc1nc2ccccc2c(Nc2ccc(N3CCN(C)CC3)cc2)c1C | 10.1021/jm060262x | |||
| CHEMBL267464 | 97098 | 2 | None | 63 | 2 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 346 | 3 | 1 | 4 | 4.3 | Cc1nc2ccccc2c(Nc2ccc(N3CCN(C)CC3)cc2)c1C | 10.1021/jm060262x | |||
| 16090621 | 141575 | 0 | None | 2 | 3 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 422 | 5 | 1 | 4 | 5.6 | Cc1nc2ccccc2c(Nc2ccc(N3CCN(C)CC3)cc2)c1Cc1ccccc1 | 10.1021/jm060262x | |||
| CHEMBL384925 | 141575 | 0 | None | 2 | 3 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 422 | 5 | 1 | 4 | 5.6 | Cc1nc2ccccc2c(Nc2ccc(N3CCN(C)CC3)cc2)c1Cc1ccccc1 | 10.1021/jm060262x | |||
| 10946567 | 16469 | 0 | None | -28 | 6 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 265 | 1 | 0 | 2 | 4.1 | CCc1sc2ccc(Cl)c3c2c1CN(C)CC3 | 10.1021/jm00019a001 | |||
| CHEMBL123448 | 16469 | 0 | None | -28 | 6 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 265 | 1 | 0 | 2 | 4.1 | CCc1sc2ccc(Cl)c3c2c1CN(C)CC3 | 10.1021/jm00019a001 | |||
| 155561439 | 175666 | 0 | None | -2 | 2 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 411 | 4 | 4 | 7 | 3.5 | Oc1ccc(CCNc2nc(C#Cc3ccc(Cl)s3)nc3[nH]cnc23)cc1O | 10.1039/C8MD00317C | |||
| CHEMBL4581568 | 175666 | 0 | None | -2 | 2 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 411 | 4 | 4 | 7 | 3.5 | Oc1ccc(CCNc2nc(C#Cc3ccc(Cl)s3)nc3[nH]cnc23)cc1O | 10.1039/C8MD00317C | |||
| 2286 | 3183 | 51 | None | -15 | 30 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 284 | 3 | 0 | 3 | 4.2 | CN(C(CN1c2ccccc2Sc2c1cccc2)C)C | nan | |||
| 4927 | 3183 | 51 | None | -15 | 30 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 284 | 3 | 0 | 3 | 4.2 | CN(C(CN1c2ccccc2Sc2c1cccc2)C)C | nan | |||
| 7282 | 3183 | 51 | None | -15 | 30 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 284 | 3 | 0 | 3 | 4.2 | CN(C(CN1c2ccccc2Sc2c1cccc2)C)C | nan | |||
| CHEMBL643 | 3183 | 51 | None | -15 | 30 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 284 | 3 | 0 | 3 | 4.2 | CN(C(CN1c2ccccc2Sc2c1cccc2)C)C | nan | |||
| DB01069 | 3183 | 51 | None | -15 | 30 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 284 | 3 | 0 | 3 | 4.2 | CN(C(CN1c2ccccc2Sc2c1cccc2)C)C | nan | |||
| 44329026 | 208425 | 0 | None | -69 | 6 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 679 | 16 | 3 | 7 | 6.1 | CCC1=C(C(N)=O)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)=C(CCCCOC)N1 | 10.1016/s0960-894x(99)00484-9 | |||
| CHEMBL99864 | 208425 | 0 | None | -69 | 6 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 679 | 16 | 3 | 7 | 6.1 | CCC1=C(C(N)=O)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)=C(CCCCOC)N1 | 10.1016/s0960-894x(99)00484-9 | |||
| 1028 | 291 | 71 | None | -67 | 30 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | nan | |||
| 139148732 | 291 | 71 | None | -67 | 30 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | nan | |||
| 479 | 291 | 71 | None | -67 | 30 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | nan | |||
| 5816 | 291 | 71 | None | -67 | 30 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | nan | |||
| CHEMBL679 | 291 | 71 | None | -67 | 30 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | nan | |||
| DB00668 | 291 | 71 | None | -67 | 30 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | nan | |||
| 222757 | 99376 | 73 | None | 1 | 3 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 376 | 2 | 1 | 3 | 5.1 | C[C@]12CC[C@@H]3c4ccc(OC(=O)c5ccccc5)cc4CC[C@H]3[C@@H]1CC[C@@H]2O | nan | |||
| CHEMBL282575 | 99376 | 73 | None | 1 | 3 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 376 | 2 | 1 | 3 | 5.1 | C[C@]12CC[C@@H]3c4ccc(OC(=O)c5ccccc5)cc4CC[C@H]3[C@@H]1CC[C@@H]2O | nan | |||
| 44325038 | 206916 | 0 | None | 3 | 3 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 474 | 6 | 0 | 8 | 3.2 | COc1cc2c(cc1OC)C1=NOC(CN3CCN(Cc4ccc5ncccc5c4)CC3)C1CO2 | 10.1016/s0960-894x(03)00525-0 | |||
| CHEMBL90966 | 206916 | 0 | None | 3 | 3 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 474 | 6 | 0 | 8 | 3.2 | COc1cc2c(cc1OC)C1=NOC(CN3CCN(Cc4ccc5ncccc5c4)CC3)C1CO2 | 10.1016/s0960-894x(03)00525-0 | |||
| 3072540 | 82415 | 13 | None | 32 | 3 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 382 | 4 | 1 | 4 | 5.3 | CCN1CCN(c2ccc(Nc3c4ccccc4nc4ccccc34)cc2)CC1 | 10.1016/j.ejmech.2010.12.026 | |||
| CHEMBL217366 | 82415 | 13 | None | 32 | 3 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 382 | 4 | 1 | 4 | 5.3 | CCN1CCN(c2ccc(Nc3c4ccccc4nc4ccccc34)cc2)CC1 | 10.1016/j.ejmech.2010.12.026 | |||
| 16757089 | 92291 | 1 | None | -3 | 3 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 311 | 5 | 1 | 5 | 3.0 | C[C@@H](Oc1ccccc1-c1cccc([N+](=O)[O-])c1)C1=NCCN1 | 10.1021/jm061487a | |||
| CHEMBL242693 | 92291 | 1 | None | -3 | 3 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 311 | 5 | 1 | 5 | 3.0 | C[C@@H](Oc1ccccc1-c1cccc([N+](=O)[O-])c1)C1=NCCN1 | 10.1021/jm061487a | |||
| 2284 | 3182 | 33 | None | -7 | 29 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 284 | 4 | 0 | 3 | 4.2 | CN(CCCN1c2ccccc2Sc2c1cccc2)C | nan | |||
| 4926 | 3182 | 33 | None | -7 | 29 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 284 | 4 | 0 | 3 | 4.2 | CN(CCCN1c2ccccc2Sc2c1cccc2)C | nan | |||
| 7281 | 3182 | 33 | None | -7 | 29 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 284 | 4 | 0 | 3 | 4.2 | CN(CCCN1c2ccccc2Sc2c1cccc2)C | nan | |||
| CHEMBL564 | 3182 | 33 | None | -7 | 29 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 284 | 4 | 0 | 3 | 4.2 | CN(CCCN1c2ccccc2Sc2c1cccc2)C | nan | |||
| DB00420 | 3182 | 33 | None | -7 | 29 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 284 | 4 | 0 | 3 | 4.2 | CN(CCCN1c2ccccc2Sc2c1cccc2)C | nan | |||
| 3072540 | 82415 | 13 | None | 32 | 3 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 382 | 4 | 1 | 4 | 5.3 | CCN1CCN(c2ccc(Nc3c4ccccc4nc4ccccc34)cc2)CC1 | 10.1021/jm060262x | |||
| CHEMBL217366 | 82415 | 13 | None | 32 | 3 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 382 | 4 | 1 | 4 | 5.3 | CCN1CCN(c2ccc(Nc3c4ccccc4nc4ccccc34)cc2)CC1 | 10.1021/jm060262x | |||
| 242 | 470 | 124 | None | -23 | 51 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | 10.1016/j.ejmech.2021.113931 | |||
| 34 | 470 | 124 | None | -23 | 51 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | 10.1016/j.ejmech.2021.113931 | |||
| 60795 | 470 | 124 | None | -23 | 51 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | 10.1016/j.ejmech.2021.113931 | |||
| CHEMBL1112 | 470 | 124 | None | -23 | 51 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | 10.1016/j.ejmech.2021.113931 | |||
| DB01238 | 470 | 124 | None | -23 | 51 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | 10.1016/j.ejmech.2021.113931 | |||
| 9809007 | 172564 | 8 | None | -724 | 6 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 608 | 10 | 2 | 7 | 5.6 | COC(=O)C1=C(C)NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1 | 10.1021/jm00010a001 | |||
| CHEMBL448620 | 172564 | 8 | None | -724 | 6 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 608 | 10 | 2 | 7 | 5.6 | COC(=O)C1=C(C)NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1 | 10.1021/jm00010a001 | |||
| 487 | 3634 | 21 | None | -912 | 11 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 609 | 10 | 1 | 8 | 6.0 | COC(=O)C1=C(C)NC(=C([C@H]1c1cccc(c1)[N+](=O)[O-])C(=O)OCCCN1CCC(CC1)(c1ccccc1)c1ccccc1)C | 10.1021/jm00019a001 | |||
| 60602 | 3634 | 21 | None | -912 | 11 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 609 | 10 | 1 | 8 | 6.0 | COC(=O)C1=C(C)NC(=C([C@H]1c1cccc(c1)[N+](=O)[O-])C(=O)OCCCN1CCC(CC1)(c1ccccc1)c1ccccc1)C | 10.1021/jm00019a001 | |||
| CHEMBL405355 | 3634 | 21 | None | -912 | 11 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 609 | 10 | 1 | 8 | 6.0 | COC(=O)C1=C(C)NC(=C([C@H]1c1cccc(c1)[N+](=O)[O-])C(=O)OCCCN1CCC(CC1)(c1ccccc1)c1ccccc1)C | 10.1021/jm00019a001 | |||
| DB09239 | 3634 | 21 | None | -912 | 11 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 609 | 10 | 1 | 8 | 6.0 | COC(=O)C1=C(C)NC(=C([C@H]1c1cccc(c1)[N+](=O)[O-])C(=O)OCCCN1CCC(CC1)(c1ccccc1)c1ccccc1)C | 10.1021/jm00019a001 | |||
| 4150 | 788 | 39 | None | -95 | 11 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 314 | 6 | 2 | 2 | 5.8 | CCCCCc1cc(O)c(c(c1)O)[C@@H]1C=C(C)CC[C@H]1C(=C)C | 10.1021/acs.jmedchem.0c00724 | |||
| 5288 | 788 | 39 | None | -95 | 11 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 314 | 6 | 2 | 2 | 5.8 | CCCCCc1cc(O)c(c(c1)O)[C@@H]1C=C(C)CC[C@H]1C(=C)C | 10.1021/acs.jmedchem.0c00724 | |||
| 644019 | 788 | 39 | None | -95 | 11 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 314 | 6 | 2 | 2 | 5.8 | CCCCCc1cc(O)c(c(c1)O)[C@@H]1C=C(C)CC[C@H]1C(=C)C | 10.1021/acs.jmedchem.0c00724 | |||
| CHEMBL190461 | 788 | 39 | None | -95 | 11 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 314 | 6 | 2 | 2 | 5.8 | CCCCCc1cc(O)c(c(c1)O)[C@@H]1C=C(C)CC[C@H]1C(=C)C | 10.1021/acs.jmedchem.0c00724 | |||
| DB09061 | 788 | 39 | None | -95 | 11 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 314 | 6 | 2 | 2 | 5.8 | CCCCCc1cc(O)c(c(c1)O)[C@@H]1C=C(C)CC[C@H]1C(=C)C | 10.1021/acs.jmedchem.0c00724 | |||
| 9809007 | 172564 | 8 | None | -724 | 6 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 608 | 10 | 2 | 7 | 5.6 | COC(=O)C1=C(C)NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1 | 10.1021/jm980077m | |||
| CHEMBL448620 | 172564 | 8 | None | -724 | 6 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 608 | 10 | 2 | 7 | 5.6 | COC(=O)C1=C(C)NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1 | 10.1021/jm980077m | |||
| 9851486 | 206699 | 0 | None | -316 | 6 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 592 | 10 | 2 | 6 | 6.0 | CC(=O)C1=C(C)NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1 | 10.1021/jm980077m | |||
| CHEMBL89685 | 206699 | 0 | None | -316 | 6 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 592 | 10 | 2 | 6 | 6.0 | CC(=O)C1=C(C)NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1 | 10.1021/jm980077m | |||
| 73349362 | 92550 | 0 | None | 1 | 2 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 311 | 5 | 0 | 1 | 3.8 | CN(CCCc1cccc(F)c1)[C@H]1C2C3CC4C5C3CC2C5C41 | 10.1016/j.bmc.2013.07.045 | |||
| CHEMBL2432060 | 92550 | 0 | None | 1 | 2 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 311 | 5 | 0 | 1 | 3.8 | CN(CCCc1cccc(F)c1)[C@H]1C2C3CC4C5C3CC2C5C41 | 10.1016/j.bmc.2013.07.045 | |||
| 16090633 | 80461 | 0 | None | 25 | 3 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 380 | 4 | 2 | 5 | 3.8 | C[C@@H]1CN(c2ccc(Nc3c(CO)cnc4ccc(F)cc34)cc2)CCN1C | 10.1021/jm060262x | |||
| CHEMBL214661 | 80461 | 0 | None | 25 | 3 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 380 | 4 | 2 | 5 | 3.8 | C[C@@H]1CN(c2ccc(Nc3c(CO)cnc4ccc(F)cc34)cc2)CCN1C | 10.1021/jm060262x | |||
| 16090633 | 80461 | 0 | None | 25 | 3 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 380 | 4 | 2 | 5 | 3.8 | C[C@@H]1CN(c2ccc(Nc3c(CO)cnc4ccc(F)cc34)cc2)CCN1C | 10.1016/j.ejmech.2010.12.026 | |||
| CHEMBL214661 | 80461 | 0 | None | 25 | 3 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 380 | 4 | 2 | 5 | 3.8 | C[C@@H]1CN(c2ccc(Nc3c(CO)cnc4ccc(F)cc34)cc2)CCN1C | 10.1016/j.ejmech.2010.12.026 | |||
| 57400959 | 71188 | 0 | None | -1 | 3 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 268 | 4 | 1 | 5 | 0.9 | CC(Oc1ccccc1S(C)(=O)=O)C1=NCCN1 | 10.1016/j.bmc.2012.01.035 | |||
| CHEMBL1956200 | 71188 | 0 | None | -1 | 3 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 268 | 4 | 1 | 5 | 0.9 | CC(Oc1ccccc1S(C)(=O)=O)C1=NCCN1 | 10.1016/j.bmc.2012.01.035 | |||
| 124 | 2981 | 47 | None | -60 | 33 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | nan | |||
| 2032 | 2981 | 47 | None | -60 | 33 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | nan | |||
| 4636 | 2981 | 47 | None | -60 | 33 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | nan | |||
| CHEMBL762 | 2981 | 47 | None | -60 | 33 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | nan | |||
| DB00935 | 2981 | 47 | None | -60 | 33 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | nan | |||
| 10436842 | 100256 | 0 | None | -4786 | 7 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 524 | 7 | 1 | 4 | 4.6 | CC1=C(C(=O)NCCCN2CCC(c3ccc(F)cc3C#N)CC2)[C@@H](c2ccc(F)c(F)c2)CC(=O)N1C | 10.1016/s0960-894x(99)00696-4 | |||
| CHEMBL288772 | 100256 | 0 | None | -4786 | 7 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 524 | 7 | 1 | 4 | 4.6 | CC1=C(C(=O)NCCCN2CCC(c3ccc(F)cc3C#N)CC2)[C@@H](c2ccc(F)c(F)c2)CC(=O)N1C | 10.1016/s0960-894x(99)00696-4 | |||
| 16090597 | 141470 | 0 | None | 5 | 3 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 388 | 3 | 1 | 4 | 5.4 | Cc1nc2c(C)ccc(C)c2c(Nc2ccc(N3CCN(C)C(C)C3)cc2)c1C | 10.1016/j.ejmech.2010.12.026 | |||
| CHEMBL384318 | 141470 | 0 | None | 5 | 3 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 388 | 3 | 1 | 4 | 5.4 | Cc1nc2c(C)ccc(C)c2c(Nc2ccc(N3CCN(C)C(C)C3)cc2)c1C | 10.1016/j.ejmech.2010.12.026 | |||
| 16090597 | 141470 | 0 | None | 5 | 3 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 388 | 3 | 1 | 4 | 5.4 | Cc1nc2c(C)ccc(C)c2c(Nc2ccc(N3CCN(C)C(C)C3)cc2)c1C | 10.1021/jm060262x | |||
| CHEMBL384318 | 141470 | 0 | None | 5 | 3 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 388 | 3 | 1 | 4 | 5.4 | Cc1nc2c(C)ccc(C)c2c(Nc2ccc(N3CCN(C)C(C)C3)cc2)c1C | 10.1021/jm060262x | |||
| 10508332 | 105991 | 0 | None | -269 | 6 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 638 | 11 | 2 | 8 | 6.4 | CO/C(O)=C1\C(C)=NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])c(OC)c1 | 10.1021/jm980077m | |||
| CHEMBL313160 | 105991 | 0 | None | -269 | 6 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 638 | 11 | 2 | 8 | 6.4 | CO/C(O)=C1\C(C)=NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])c(OC)c1 | 10.1021/jm980077m | |||
| 28918670 | 92487 | 2 | None | -4 | 4 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 254 | 3 | 1 | 3 | 1.8 | Brc1ccccc1OCC1=NCCN1 | 10.1021/ml400232p | |||
| CHEMBL2431279 | 92487 | 2 | None | -4 | 4 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 254 | 3 | 1 | 3 | 1.8 | Brc1ccccc1OCC1=NCCN1 | 10.1021/ml400232p | |||
| 127036953 | 137515 | 0 | None | -39 | 22 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 318 | 7 | 1 | 1 | 4.1 | C=CCN(CC=C)CCc1c[nH]c2ccc(Br)cc12 | 10.1016/j.bmcl.2015.12.053 | |||
| CHEMBL3754166 | 137515 | 0 | None | -39 | 22 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 318 | 7 | 1 | 1 | 4.1 | C=CCN(CC=C)CCc1c[nH]c2ccc(Br)cc12 | 10.1016/j.bmcl.2015.12.053 | |||
| 44269140 | 33553 | 0 | None | -4 | 3 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 248 | 5 | 1 | 4 | 2.2 | CC(C)Oc1ccccc1OC(C)C1=NCCN1 | 10.1016/j.bmc.2012.01.035 | |||
| CHEMBL14208 | 33553 | 0 | None | -4 | 3 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 248 | 5 | 1 | 4 | 2.2 | CC(C)Oc1ccccc1OC(C)C1=NCCN1 | 10.1016/j.bmc.2012.01.035 | |||
| 73352415 | 92538 | 0 | None | -2 | 4 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 293 | 4 | 0 | 2 | 2.5 | CN(CCc1ccccc1)[C@H]1C2C3CC4C2C(=O)C2C4C3C21 | 10.1016/j.bmc.2013.07.045 | |||
| CHEMBL2432044 | 92538 | 0 | None | -2 | 4 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 293 | 4 | 0 | 2 | 2.5 | CN(CCc1ccccc1)[C@H]1C2C3CC4C2C(=O)C2C4C3C21 | 10.1016/j.bmc.2013.07.045 | |||
| 10916464 | 204153 | 0 | None | -8 | 5 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 287 | 4 | 2 | 5 | 1.2 | CS(=O)(=O)c1cc(Cl)ccc1NCC1=NCCN1 | 10.1021/jm000542r | |||
| CHEMBL70563 | 204153 | 0 | None | -8 | 5 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 287 | 4 | 2 | 5 | 1.2 | CS(=O)(=O)c1cc(Cl)ccc1NCC1=NCCN1 | 10.1021/jm000542r | |||
| 12576 | 514 | 94 | None | -2 | 6 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 212 | 2 | 1 | 1 | 2.9 | CCC1(CC2=CC=CC=C2C1)C3=CN=CN3 | 10.1021/jm1006269 | |||
| 71310 | 514 | 94 | None | -2 | 6 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 212 | 2 | 1 | 1 | 2.9 | CCC1(CC2=CC=CC=C2C1)C3=CN=CN3 | 10.1021/jm1006269 | |||
| CHEMBL353972 | 514 | 94 | None | -2 | 6 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 212 | 2 | 1 | 1 | 2.9 | CCC1(CC2=CC=CC=C2C1)C3=CN=CN3 | 10.1021/jm1006269 | |||
| DB11481 | 514 | 94 | None | -2 | 6 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 212 | 2 | 1 | 1 | 2.9 | CCC1(CC2=CC=CC=C2C1)C3=CN=CN3 | 10.1021/jm1006269 | |||
| 44438166 | 93817 | 0 | None | 33 | 3 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 467 | 8 | 2 | 7 | 3.5 | COc1cc2c(cc1OC)CN(Cc1ccc(OC)c3oc(C(=O)NCC(C)(C)N)cc13)CC2 | 10.1016/j.bmcl.2006.12.094 | |||
| CHEMBL247664 | 93817 | 0 | None | 33 | 3 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 467 | 8 | 2 | 7 | 3.5 | COc1cc2c(cc1OC)CN(Cc1ccc(OC)c3oc(C(=O)NCC(C)(C)N)cc13)CC2 | 10.1016/j.bmcl.2006.12.094 | |||
| 46891598 | 7176 | 0 | None | -2 | 2 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 402 | 5 | 0 | 5 | 3.2 | CN1CC2C(=NO[C@H]2CN2CCN(C/C=C/c3ccccc3)CC2)c2ccccc21 | 10.1016/j.bmcl.2010.04.099 | |||
| CHEMBL1085510 | 7176 | 0 | None | -2 | 2 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 402 | 5 | 0 | 5 | 3.2 | CN1CC2C(=NO[C@H]2CN2CCN(C/C=C/c3ccccc3)CC2)c2ccccc21 | 10.1016/j.bmcl.2010.04.099 | |||
| 44424855 | 85454 | 0 | None | 1 | 3 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 467 | 7 | 0 | 7 | 3.3 | COc1cc2c(cc1OC)C1=NOC(CN3CCN(C/C=C/c4ccc(F)cc4)CC3)C1CO2 | 10.1016/j.bmc.2007.03.053 | |||
| CHEMBL226636 | 85454 | 0 | None | 1 | 3 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 467 | 7 | 0 | 7 | 3.3 | COc1cc2c(cc1OC)C1=NOC(CN3CCN(C/C=C/c4ccc(F)cc4)CC3)C1CO2 | 10.1016/j.bmc.2007.03.053 | |||
| 44324859 | 111612 | 0 | None | 4 | 3 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 461 | 6 | 0 | 7 | 3.1 | COc1cc2c(cc1OC)C1=NOC(CN3CCN(CC4=Cc5ccccc5C4)CC3)C1CO2 | 10.1016/s0960-894x(03)00525-0 | |||
| CHEMBL328377 | 111612 | 0 | None | 4 | 3 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 461 | 6 | 0 | 7 | 3.1 | COc1cc2c(cc1OC)C1=NOC(CN3CCN(CC4=Cc5ccccc5C4)CC3)C1CO2 | 10.1016/s0960-894x(03)00525-0 | |||
| 44324765 | 111568 | 0 | None | 2 | 5 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 449 | 7 | 0 | 7 | 3.1 | COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C=C/c4ccccc4)CC3)[C@@H]1CO2 | 10.1016/s0960-894x(03)00525-0 | |||
| CHEMBL328114 | 111568 | 0 | None | 2 | 5 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 449 | 7 | 0 | 7 | 3.1 | COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C=C/c4ccccc4)CC3)[C@@H]1CO2 | 10.1016/s0960-894x(03)00525-0 | |||
| 16090631 | 82391 | 0 | None | 630 | 3 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 390 | 4 | 2 | 5 | 4.5 | Cc1nc2ccccc2c(Nc2ccc(N3CCN(C)C(C)C3)cc2)c1C(C)O | 10.1016/j.ejmech.2010.12.026 | |||
| CHEMBL217253 | 82391 | 0 | None | 630 | 3 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 390 | 4 | 2 | 5 | 4.5 | Cc1nc2ccccc2c(Nc2ccc(N3CCN(C)C(C)C3)cc2)c1C(C)O | 10.1016/j.ejmech.2010.12.026 | |||
| 16090631 | 82391 | 0 | None | 630 | 3 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 390 | 4 | 2 | 5 | 4.5 | Cc1nc2ccccc2c(Nc2ccc(N3CCN(C)C(C)C3)cc2)c1C(C)O | 10.1021/jm060262x | |||
| CHEMBL217253 | 82391 | 0 | None | 630 | 3 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 390 | 4 | 2 | 5 | 4.5 | Cc1nc2ccccc2c(Nc2ccc(N3CCN(C)C(C)C3)cc2)c1C(C)O | 10.1021/jm060262x | |||
| 3191 | 102858 | 97 | None | -3 | 25 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 469 | 9 | 0 | 3 | 7.2 | CC(C)(C)c1ccc(C(=O)CCCN2CCC(OC(c3ccccc3)c3ccccc3)CC2)cc1 | nan | |||
| CHEMBL305660 | 102858 | 97 | None | -3 | 25 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 469 | 9 | 0 | 3 | 7.2 | CC(C)(C)c1ccc(C(=O)CCCN2CCC(OC(c3ccccc3)c3ccccc3)CC2)cc1 | nan | |||
| 10655607 | 204755 | 5 | None | -5 | 3 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 199 | 2 | 3 | 3 | 2.0 | c1c[nH]c(Nc2ccc3[nH]cnc3c2)n1 | 10.1021/jm9605142 | |||
| CHEMBL74544 | 204755 | 5 | None | -5 | 3 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 199 | 2 | 3 | 3 | 2.0 | c1c[nH]c(Nc2ccc3[nH]cnc3c2)n1 | 10.1021/jm9605142 | |||
| 12304323 | 9048 | 5 | None | - | 1 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 464 | 4 | 8 | 12 | -0.5 | O=c1c(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12 | 10.1021/np1000329 | |||
| CHEMBL1098724 | 9048 | 5 | None | - | 1 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 464 | 4 | 8 | 12 | -0.5 | O=c1c(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12 | 10.1021/np1000329 | |||
| 10507651 | 206507 | 0 | None | -45 | 6 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 591 | 9 | 2 | 6 | 5.8 | CC(=O)C1=C(C)NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc2c(c1)OCO2 | 10.1021/jm980077m | |||
| CHEMBL88388 | 206507 | 0 | None | -45 | 6 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 591 | 9 | 2 | 6 | 5.8 | CC(=O)C1=C(C)NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc2c(c1)OCO2 | 10.1021/jm980077m | |||
| 10382537 | 204166 | 12 | None | -60 | 6 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 339 | 1 | 2 | 5 | 1.6 | Ic1c(NC2=NCCN2)ccc2nccnc12 | 10.1016/0960-894X(95)00391-6 | |||
| CHEMBL70676 | 204166 | 12 | None | -60 | 6 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 339 | 1 | 2 | 5 | 1.6 | Ic1c(NC2=NCCN2)ccc2nccnc12 | 10.1016/0960-894X(95)00391-6 | |||
| CHEMBL4748908 | 214035 | 1 | None | -4 | 12 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | None | None | None | CN1CCN(c2ccnc(NCCc3ccccc3)n2)CC1 | 10.6019/CHEMBL4800732 | |||||
| 2353 | 101112 | 82 | None | -1 | 4 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 336 | 2 | 0 | 4 | 3.1 | COc1ccc2cc3[n+](cc2c1OC)CCc1cc2c(cc1-3)OCO2 | nan | |||
| CHEMBL12089 | 101112 | 82 | None | -1 | 4 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 336 | 2 | 0 | 4 | 3.1 | COc1ccc2cc3[n+](cc2c1OC)CCc1cc2c(cc1-3)OCO2 | nan | |||
| CHEMBL295124 | 101112 | 82 | None | -1 | 4 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 336 | 2 | 0 | 4 | 3.1 | COc1ccc2cc3[n+](cc2c1OC)CCc1cc2c(cc1-3)OCO2 | nan | |||
| CHEMBL4748908 | 214035 | 1 | None | -4 | 12 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | None | None | None | CN1CCN(c2ccnc(NCCc3ccccc3)n2)CC1 | 10.6019/CHEMBL4800732 | |||||
| 10627021 | 107095 | 0 | None | -301 | 6 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 577 | 9 | 2 | 5 | 6.8 | CO/C(O)=C1\C(C)=NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc(C)cc1 | 10.1021/jm980077m | |||
| CHEMBL315914 | 107095 | 0 | None | -301 | 6 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 577 | 9 | 2 | 5 | 6.8 | CO/C(O)=C1\C(C)=NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc(C)cc1 | 10.1021/jm980077m | |||
| 10317643 | 98540 | 0 | None | 32 | 2 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 380 | 4 | 2 | 5 | 3.8 | CC1CN(c2ccc(Nc3c(CO)cnc4ccc(F)cc34)cc2)CCN1C | 10.1016/j.ejmech.2010.12.026 | |||
| CHEMBL276417 | 98540 | 0 | None | 32 | 2 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 380 | 4 | 2 | 5 | 3.8 | CC1CN(c2ccc(Nc3c(CO)cnc4ccc(F)cc34)cc2)CCN1C | 10.1016/j.ejmech.2010.12.026 | |||
| 10818003 | 106421 | 0 | None | -7 | 6 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 649 | 12 | 3 | 6 | 6.2 | CC(C)C1=C(C(N)=O)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)=C(C(C)C)N1 | 10.1021/jm980077m | |||
| CHEMBL313953 | 106421 | 0 | None | -7 | 6 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 649 | 12 | 3 | 6 | 6.2 | CC(C)C1=C(C(N)=O)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)=C(C(C)C)N1 | 10.1021/jm980077m | |||
| 66561967 | 74704 | 0 | None | -6 | 7 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 213 | 2 | 0 | 1 | 2.0 | C1CC2CCC1N2CC12C3C4C5C3C1C5C42 | 10.1016/j.bmcl.2012.04.077 | |||
| CHEMBL2030626 | 74704 | 0 | None | -6 | 7 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 213 | 2 | 0 | 1 | 2.0 | C1CC2CCC1N2CC12C3C4C5C3C1C5C42 | 10.1016/j.bmcl.2012.04.077 | |||
| 44421258 | 84746 | 0 | None | -3 | 3 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 264 | 3 | 1 | 3 | 2.8 | c1ccc(-c2ccccc2C2OC2C2=NCCN2)cc1 | 10.1021/jm0408215 | |||
| CHEMBL1204386 | 84746 | 0 | None | -3 | 3 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 264 | 3 | 1 | 3 | 2.8 | c1ccc(-c2ccccc2C2OC2C2=NCCN2)cc1 | 10.1021/jm0408215 | |||
| CHEMBL222933 | 84746 | 0 | None | -3 | 3 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 264 | 3 | 1 | 3 | 2.8 | c1ccc(-c2ccccc2C2OC2C2=NCCN2)cc1 | 10.1021/jm0408215 | |||
| 127035062 | 136451 | 0 | None | -14 | 19 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 447 | 12 | 0 | 5 | 5.2 | COc1ccc(CCN(CCCc2ccccc2)CCc2ccc3c(c2)OCO3)cc1OC | 10.1039/C4MD00418C | |||
| CHEMBL3735756 | 136451 | 0 | None | -14 | 19 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 447 | 12 | 0 | 5 | 5.2 | COc1ccc(CCN(CCCc2ccccc2)CCc2ccc3c(c2)OCO3)cc1OC | 10.1039/C4MD00418C | |||
| 10317643 | 98540 | 0 | None | 32 | 2 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 380 | 4 | 2 | 5 | 3.8 | CC1CN(c2ccc(Nc3c(CO)cnc4ccc(F)cc34)cc2)CCN1C | 10.1021/jm060262x | |||
| CHEMBL276417 | 98540 | 0 | None | 32 | 2 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 380 | 4 | 2 | 5 | 3.8 | CC1CN(c2ccc(Nc3c(CO)cnc4ccc(F)cc34)cc2)CCN1C | 10.1021/jm060262x | |||
| 155770281 | 177747 | 0 | None | -5 | 9 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 517 | 4 | 1 | 2 | 7.6 | CC(=O)N1CCC(c2ccc(-c3cc(C(=O)O)cc4cc(-c5ccc(C(F)(F)F)cc5)ccc34)cc2)CC1 | 10.1021/acs.jmedchem.1c00164 | |||
| CHEMBL4642592 | 177747 | 0 | None | -5 | 9 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 517 | 4 | 1 | 2 | 7.6 | CC(=O)N1CCC(c2ccc(-c3cc(C(=O)O)cc4cc(-c5ccc(C(F)(F)F)cc5)ccc34)cc2)CC1 | 10.1021/acs.jmedchem.1c00164 | |||
| 122186880 | 122980 | 0 | None | -4 | 5 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 415 | 3 | 0 | 5 | 4.8 | COc1cc2c3c(c1OC)-c1cc4c(cc1CC3N(C)CC2c1ccccc1)OCO4 | 10.1016/j.bmcl.2015.07.012 | |||
| CHEMBL3608450 | 122980 | 0 | None | -4 | 5 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 415 | 3 | 0 | 5 | 4.8 | COc1cc2c3c(c1OC)-c1cc4c(cc1CC3N(C)CC2c1ccccc1)OCO4 | 10.1016/j.bmcl.2015.07.012 | |||
| 71463061 | 83795 | 0 | None | -5 | 9 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 339 | 5 | 1 | 4 | 2.0 | COc1cccc(CCN2C3C4C5CC6C7C5C3C7C2(O)C64)c1OC | 10.1016/j.bmcl.2012.08.046 | |||
| CHEMBL2205813 | 83795 | 0 | None | -5 | 9 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 339 | 5 | 1 | 4 | 2.0 | COc1cccc(CCN2C3C4C5CC6C7C5C3C7C2(O)C64)c1OC | 10.1016/j.bmcl.2012.08.046 | |||
| 2435 | 722 | 100 | None | -33 | 12 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | 10.1021/jm9605142 | |||
| 395 | 722 | 100 | None | -33 | 12 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | 10.1021/jm9605142 | |||
| 520 | 722 | 100 | None | -33 | 12 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | 10.1021/jm9605142 | |||
| 5386 | 722 | 100 | None | -33 | 12 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | 10.1021/jm9605142 | |||
| CHEMBL844 | 722 | 100 | None | -33 | 12 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | 10.1021/jm9605142 | |||
| DB00484 | 722 | 100 | None | -33 | 12 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | 10.1021/jm9605142 | |||
| 44328654 | 107185 | 0 | None | -114 | 6 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 663 | 14 | 3 | 6 | 6.7 | CCCC1=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCC)=C(CC)N1 | 10.1016/s0960-894x(99)00484-9 | |||
| CHEMBL316495 | 107185 | 0 | None | -114 | 6 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 663 | 14 | 3 | 6 | 6.7 | CCCC1=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCC)=C(CC)N1 | 10.1016/s0960-894x(99)00484-9 | |||
| 4011 | 82408 | 49 | None | -28 | 24 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 277 | 4 | 1 | 1 | 4.2 | CNCCCC12CCC(c3ccccc31)c1ccccc12 | nan | |||
| CHEMBL21731 | 82408 | 49 | None | -28 | 24 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 277 | 4 | 1 | 1 | 4.2 | CNCCCC12CCC(c3ccccc31)c1ccccc12 | nan | |||
| 33630 | 178957 | 99 | None | -9 | 28 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 523 | 7 | 1 | 2 | 7.5 | OC1(c2ccc(Cl)c(C(F)(F)F)c2)CCN(CCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1 | 10.1016/j.bmcl.2018.10.036 | |||
| CHEMBL47050 | 178957 | 99 | None | -9 | 28 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 523 | 7 | 1 | 2 | 7.5 | OC1(c2ccc(Cl)c(C(F)(F)F)c2)CCN(CCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1 | 10.1016/j.bmcl.2018.10.036 | |||
| 73213196 | 104460 | 4 | None | -4 | 13 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 288 | 0 | 0 | 2 | 3.9 | CN1CCc2c(c3cccc4c3n2CCc2ccccc2-4)C1 | 10.1016/j.bmcl.2014.05.016 | |||
| CHEMBL3104093 | 104460 | 4 | None | -4 | 13 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 288 | 0 | 0 | 2 | 3.9 | CN1CCc2c(c3cccc4c3n2CCc2ccccc2-4)C1 | 10.1016/j.bmcl.2014.05.016 | |||
| 73213196 | 104460 | 4 | None | -4 | 13 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 288 | 0 | 0 | 2 | 3.9 | CN1CCc2c(c3cccc4c3n2CCc2ccccc2-4)C1 | 10.1016/j.bmcl.2013.12.024 | |||
| CHEMBL3104093 | 104460 | 4 | None | -4 | 13 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 288 | 0 | 0 | 2 | 3.9 | CN1CCc2c(c3cccc4c3n2CCc2ccccc2-4)C1 | 10.1016/j.bmcl.2013.12.024 | |||
| 73213196 | 104460 | 4 | None | -4 | 13 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 288 | 0 | 0 | 2 | 3.9 | CN1CCc2c(c3cccc4c3n2CCc2ccccc2-4)C1 | 10.1016/j.bmcl.2013.12.024 | |||
| CHEMBL3104093 | 104460 | 4 | None | -4 | 13 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 288 | 0 | 0 | 2 | 3.9 | CN1CCc2c(c3cccc4c3n2CCc2ccccc2-4)C1 | 10.1016/j.bmcl.2013.12.024 | |||
| 57401706 | 70171 | 0 | None | -7 | 11 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 331 | 6 | 0 | 4 | 3.5 | Fc1ccc(SCCCN2CCN(c3ccccn3)CC2)cc1 | 10.1016/j.bmc.2011.12.019 | |||
| CHEMBL1940419 | 70171 | 0 | None | -7 | 11 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 331 | 6 | 0 | 4 | 3.5 | Fc1ccc(SCCCN2CCN(c3ccccn3)CC2)cc1 | 10.1016/j.bmc.2011.12.019 | |||
| 463 | 1405 | 22 | None | -48 | 12 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 609 | 10 | 1 | 8 | 6.0 | COC(=O)C1=C(C)NC(=C([C@@H]1c1cccc(c1)[N+](=O)[O-])C(=O)OCCCN1CCC(CC1)(c1ccccc1)c1ccccc1)C | 10.1021/jm00010a001 | |||
| 6918097 | 1405 | 22 | None | -48 | 12 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 609 | 10 | 1 | 8 | 6.0 | COC(=O)C1=C(C)NC(=C([C@@H]1c1cccc(c1)[N+](=O)[O-])C(=O)OCCCN1CCC(CC1)(c1ccccc1)c1ccccc1)C | 10.1021/jm00010a001 | |||
| 837 | 1405 | 22 | None | -48 | 12 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 609 | 10 | 1 | 8 | 6.0 | COC(=O)C1=C(C)NC(=C([C@@H]1c1cccc(c1)[N+](=O)[O-])C(=O)OCCCN1CCC(CC1)(c1ccccc1)c1ccccc1)C | 10.1021/jm00010a001 | |||
| CHEMBL2051956 | 1405 | 22 | None | -48 | 12 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 609 | 10 | 1 | 8 | 6.0 | COC(=O)C1=C(C)NC(=C([C@@H]1c1cccc(c1)[N+](=O)[O-])C(=O)OCCCN1CCC(CC1)(c1ccccc1)c1ccccc1)C | 10.1021/jm00010a001 | |||
| DB14068 | 1405 | 22 | None | -48 | 12 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 609 | 10 | 1 | 8 | 6.0 | COC(=O)C1=C(C)NC(=C([C@@H]1c1cccc(c1)[N+](=O)[O-])C(=O)OCCCN1CCC(CC1)(c1ccccc1)c1ccccc1)C | 10.1021/jm00010a001 | |||
| 6918276 | 15611 | 7 | None | -47 | 8 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 559 | 18 | 4 | 9 | 1.7 | CC[C@H](C)[C@@H](CO[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCS(C)(=O)=O)C(=O)OC(C)C)NC[C@@H](N)CS | nan | |||
| CHEMBL1221512 | 15611 | 7 | None | -47 | 8 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 559 | 18 | 4 | 9 | 1.7 | CC[C@H](C)[C@@H](CO[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCS(C)(=O)=O)C(=O)OC(C)C)NC[C@@H](N)CS | nan | |||
| 44269089 | 97005 | 0 | None | -6 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 232 | 4 | 1 | 3 | 2.6 | CC(Oc1ccccc1C(C)C)C1=NCCN1 | 10.1016/j.bmc.2012.01.035 | |||
| CHEMBL266613 | 97005 | 0 | None | -6 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 232 | 4 | 1 | 3 | 2.6 | CC(Oc1ccccc1C(C)C)C1=NCCN1 | 10.1016/j.bmc.2012.01.035 | |||
| 9809007 | 172564 | 8 | None | -724 | 6 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 608 | 10 | 2 | 7 | 5.6 | COC(=O)C1=C(C)NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1 | 10.1021/jm00010a001 | |||
| CHEMBL448620 | 172564 | 8 | None | -724 | 6 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 608 | 10 | 2 | 7 | 5.6 | COC(=O)C1=C(C)NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1 | 10.1021/jm00010a001 | |||
| 191 | 403 | 98 | None | -39 | 29 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 313 | 0 | 1 | 4 | 3.4 | Clc1ccc2c(c1)C(=Nc1c(O2)cccc1)N1CCNCC1 | nan | |||
| 201 | 403 | 98 | None | -39 | 29 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 313 | 0 | 1 | 4 | 3.4 | Clc1ccc2c(c1)C(=Nc1c(O2)cccc1)N1CCNCC1 | nan | |||
| 2170 | 403 | 98 | None | -39 | 29 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 313 | 0 | 1 | 4 | 3.4 | Clc1ccc2c(c1)C(=Nc1c(O2)cccc1)N1CCNCC1 | nan | |||
| CHEMBL1113 | 403 | 98 | None | -39 | 29 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 313 | 0 | 1 | 4 | 3.4 | Clc1ccc2c(c1)C(=Nc1c(O2)cccc1)N1CCNCC1 | nan | |||
| DB00543 | 403 | 98 | None | -39 | 29 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 313 | 0 | 1 | 4 | 3.4 | Clc1ccc2c(c1)C(=Nc1c(O2)cccc1)N1CCNCC1 | nan | |||
| 60838 | 183874 | 99 | None | -1 | 2 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 586 | 4 | 1 | 9 | 4.1 | CCc1c2c(nc3ccc(OC(=O)N4CCC(N5CCCCC5)CC4)cc13)-c1cc3c(c(=O)n1C2)COC(=O)[C@]3(O)CC | nan | |||
| CHEMBL481 | 183874 | 99 | None | -1 | 2 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 586 | 4 | 1 | 9 | 4.1 | CCc1c2c(nc3ccc(OC(=O)N4CCC(N5CCCCC5)CC4)cc13)-c1cc3c(c(=O)n1C2)COC(=O)[C@]3(O)CC | nan | |||
| 44288847 | 165309 | 0 | None | -3311 | 5 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 535 | 7 | 2 | 5 | 3.9 | CC1=C(C(=O)NCCCN2CCC(C#N)(c3ccc(F)cc3C#N)CC2)[C@@H](c2ccc(F)c(F)c2)CC(=O)N1 | 10.1016/s0960-894x(99)00696-4 | |||
| CHEMBL42335 | 165309 | 0 | None | -3311 | 5 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 535 | 7 | 2 | 5 | 3.9 | CC1=C(C(=O)NCCCN2CCC(C#N)(c3ccc(F)cc3C#N)CC2)[C@@H](c2ccc(F)c(F)c2)CC(=O)N1 | 10.1016/s0960-894x(99)00696-4 | |||
| 10769331 | 111533 | 0 | None | -91 | 6 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 566 | 9 | 2 | 7 | 5.9 | CO/C(O)=C1\C(C)=NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)CC2)C1c1ccc(Cl)c([N+](=O)[O-])c1 | 10.1021/jm980077m | |||
| CHEMBL327931 | 111533 | 0 | None | -91 | 6 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 566 | 9 | 2 | 7 | 5.9 | CO/C(O)=C1\C(C)=NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)CC2)C1c1ccc(Cl)c([N+](=O)[O-])c1 | 10.1021/jm980077m | |||
| 135453290 | 133606 | 33 | None | -1548 | 8 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 191 | 2 | 2 | 4 | 1.1 | C[C@H](N)Cn1ncc2ccc(O)cc21 | 10.1021/jm050663x | |||
| CHEMBL371300 | 133606 | 33 | None | -1548 | 8 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 191 | 2 | 2 | 4 | 1.1 | C[C@H](N)Cn1ncc2ccc(O)cc21 | 10.1021/jm050663x | |||
| 136680384 | 207655 | 0 | None | -104 | 6 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 694 | 16 | 4 | 8 | 4.9 | CCNC(=O)C1=C(CC)NC(COCCN)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1 | 10.1016/s0960-894x(99)00484-9 | |||
| 44328799 | 207655 | 0 | None | -104 | 6 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 694 | 16 | 4 | 8 | 4.9 | CCNC(=O)C1=C(CC)NC(COCCN)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1 | 10.1016/s0960-894x(99)00484-9 | |||
| CHEMBL95290 | 207655 | 0 | None | -104 | 6 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 694 | 16 | 4 | 8 | 4.9 | CCNC(=O)C1=C(CC)NC(COCCN)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1 | 10.1016/s0960-894x(99)00484-9 | |||
| 71461344 | 83806 | 0 | None | - | 1 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 266 | 2 | 1 | 3 | 1.3 | OC12C3C4CC5C6C4C1C6C(C53)N2Cc1cccnc1 | 10.1016/j.bmc.2013.07.045 | |||
| CHEMBL2205833 | 83806 | 0 | None | - | 1 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 266 | 2 | 1 | 3 | 1.3 | OC12C3C4CC5C6C4C1C6C(C53)N2Cc1cccnc1 | 10.1016/j.bmc.2013.07.045 | |||
| 73347827 | 92544 | 0 | None | -2 | 4 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 311 | 4 | 0 | 2 | 2.6 | CN(CCc1cccc(F)c1)[C@H]1C2C3CC4C2C(=O)C2C4C3C21 | 10.1016/j.bmc.2013.07.045 | |||
| CHEMBL2432052 | 92544 | 0 | None | -2 | 4 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 311 | 4 | 0 | 2 | 2.6 | CN(CCc1cccc(F)c1)[C@H]1C2C3CC4C2C(=O)C2C4C3C21 | 10.1016/j.bmc.2013.07.045 | |||
| 1443 | 2028 | 34 | None | -11 | 10 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 347 | 5 | 2 | 2 | 3.6 | O=C(c1ccccc1)NC1CCN(CC1)CCc1c[nH]c2c1cccc2 | 10.1021/jm00018a001 | |||
| 33625 | 2028 | 34 | None | -11 | 10 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 347 | 5 | 2 | 2 | 3.6 | O=C(c1ccccc1)NC1CCN(CC1)CCc1c[nH]c2c1cccc2 | 10.1021/jm00018a001 | |||
| 501 | 2028 | 34 | None | -11 | 10 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 347 | 5 | 2 | 2 | 3.6 | O=C(c1ccccc1)NC1CCN(CC1)CCc1c[nH]c2c1cccc2 | 10.1021/jm00018a001 | |||
| CHEMBL279516 | 2028 | 34 | None | -11 | 10 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 347 | 5 | 2 | 2 | 3.6 | O=C(c1ccccc1)NC1CCN(CC1)CCc1c[nH]c2c1cccc2 | 10.1021/jm00018a001 | |||
| DB08950 | 2028 | 34 | None | -11 | 10 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 347 | 5 | 2 | 2 | 3.6 | O=C(c1ccccc1)NC1CCN(CC1)CCc1c[nH]c2c1cccc2 | 10.1021/jm00018a001 | |||
| 10474335 | 194692 | 23 | None | -16 | 10 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 370 | 6 | 0 | 3 | 4.8 | COc1cccc2c1CCCC2CCCN1CCN(C2CCCCC2)CC1 | 10.1038/s41586-020-2286-9 | |||
| CHEMBL53325 | 194692 | 23 | None | -16 | 10 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 370 | 6 | 0 | 3 | 4.8 | COc1cccc2c1CCCC2CCCN1CCN(C2CCCCC2)CC1 | 10.1038/s41586-020-2286-9 | |||
| 10626982 | 111495 | 0 | None | -8 | 6 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 575 | 9 | 2 | 6 | 5.9 | CC1=C(C#N)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)=C(C)N1 | 10.1021/jm980077m | |||
| CHEMBL327775 | 111495 | 0 | None | -8 | 6 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 575 | 9 | 2 | 6 | 5.9 | CC1=C(C#N)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)=C(C)N1 | 10.1021/jm980077m | |||
| 9947861 | 204162 | 0 | None | -8 | 4 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 287 | 4 | 2 | 5 | 1.2 | CS(=O)(=O)c1ccc(Cl)cc1NCC1=NCCN1 | 10.1021/jm000542r | |||
| CHEMBL70634 | 204162 | 0 | None | -8 | 4 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 287 | 4 | 2 | 5 | 1.2 | CS(=O)(=O)c1ccc(Cl)cc1NCC1=NCCN1 | 10.1021/jm000542r | |||
| 44269013 | 30342 | 1 | None | -10 | 4 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 218 | 5 | 1 | 3 | 2.0 | CCCc1ccccc1OCC1=NCCN1 | 10.1021/ml400232p | |||
| CHEMBL13917 | 30342 | 1 | None | -10 | 4 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 218 | 5 | 1 | 3 | 2.0 | CCCc1ccccc1OCC1=NCCN1 | 10.1021/ml400232p | |||
| 57345625 | 71179 | 0 | None | -16 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 224 | 3 | 1 | 3 | 2.1 | CC(Oc1ccccc1Cl)C1=NCCN1 | 10.1016/j.bmc.2012.01.035 | |||
| CHEMBL1956191 | 71179 | 0 | None | -16 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 224 | 3 | 1 | 3 | 2.1 | CC(Oc1ccccc1Cl)C1=NCCN1 | 10.1016/j.bmc.2012.01.035 | |||
| 45487962 | 197485 | 0 | None | -10 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 218 | 4 | 1 | 3 | 2.1 | CCCc1ccccc1COC1=NCCN1 | 10.1021/jm901262f | |||
| CHEMBL569933 | 197485 | 0 | None | -10 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 218 | 4 | 1 | 3 | 2.1 | CCCc1ccccc1COC1=NCCN1 | 10.1021/jm901262f | |||
| 44312198 | 204589 | 0 | None | -1 | 4 | Human | 4.3 | pKi | = | 4.3 | Binding | ChEMBL | 292 | 1 | 1 | 5 | 2.2 | Brc1c(NC2=NCCO2)ccc2nccnc12 | 10.1016/0960-894X(95)00391-6 | |||
| CHEMBL73164 | 204589 | 0 | None | -1 | 4 | Human | 4.3 | pKi | = | 4.3 | Binding | ChEMBL | 292 | 1 | 1 | 5 | 2.2 | Brc1c(NC2=NCCO2)ccc2nccnc12 | 10.1016/0960-894X(95)00391-6 | |||
| 44579185 | 181814 | 1 | None | 7 | 3 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 488 | 8 | 1 | 7 | 3.5 | O=C(NCCN1CCCN(CC2COc3ccccc3O2)CC1)c1cccnc1Oc1ccccc1 | 10.1016/j.bmcl.2008.08.055 | |||
| CHEMBL477816 | 181814 | 1 | None | 7 | 3 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 488 | 8 | 1 | 7 | 3.5 | O=C(NCCN1CCCN(CC2COc3ccccc3O2)CC1)c1cccnc1Oc1ccccc1 | 10.1016/j.bmcl.2008.08.055 | |||
| 10362866 | 82299 | 0 | None | 114 | 3 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 388 | 3 | 1 | 4 | 5.4 | Cc1ccc2c(Nc3ccc(N4CCN(C)C(C)C4)cc3)c(C)c(C)nc2c1C | 10.1016/j.ejmech.2010.12.026 | |||
| CHEMBL217203 | 82299 | 0 | None | 114 | 3 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 388 | 3 | 1 | 4 | 5.4 | Cc1ccc2c(Nc3ccc(N4CCN(C)C(C)C4)cc3)c(C)c(C)nc2c1C | 10.1016/j.ejmech.2010.12.026 | |||
| 10070896 | 83196 | 0 | None | 281 | 3 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 422 | 4 | 1 | 4 | 6.1 | Cc1nc2ccccc2c(Nc2ccc(N3CCN(C)C(C)C3)cc2)c1-c1ccccc1 | 10.1016/j.ejmech.2010.12.026 | |||
| CHEMBL218457 | 83196 | 0 | None | 281 | 3 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 422 | 4 | 1 | 4 | 6.1 | Cc1nc2ccccc2c(Nc2ccc(N3CCN(C)C(C)C3)cc2)c1-c1ccccc1 | 10.1016/j.ejmech.2010.12.026 | |||
| 10362866 | 82299 | 0 | None | 114 | 3 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 388 | 3 | 1 | 4 | 5.4 | Cc1ccc2c(Nc3ccc(N4CCN(C)C(C)C4)cc3)c(C)c(C)nc2c1C | 10.1021/jm060262x | |||
| CHEMBL217203 | 82299 | 0 | None | 114 | 3 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 388 | 3 | 1 | 4 | 5.4 | Cc1ccc2c(Nc3ccc(N4CCN(C)C(C)C4)cc3)c(C)c(C)nc2c1C | 10.1021/jm060262x | |||
| 10070896 | 83196 | 0 | None | 281 | 3 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 422 | 4 | 1 | 4 | 6.1 | Cc1nc2ccccc2c(Nc2ccc(N3CCN(C)C(C)C3)cc2)c1-c1ccccc1 | 10.1021/jm060262x | |||
| CHEMBL218457 | 83196 | 0 | None | 281 | 3 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 422 | 4 | 1 | 4 | 6.1 | Cc1nc2ccccc2c(Nc2ccc(N3CCN(C)C(C)C3)cc2)c1-c1ccccc1 | 10.1021/jm060262x | |||
| 441975 | 16451 | 56 | None | 1 | 3 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 352 | 1 | 1 | 4 | 3.2 | COC(=O)C1=CO[C@@H](C)[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@H]12 | 10.1021/jm00019a001 | |||
| CHEMBL123325 | 16451 | 56 | None | 1 | 3 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 352 | 1 | 1 | 4 | 3.2 | COC(=O)C1=CO[C@@H](C)[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@H]12 | 10.1021/jm00019a001 | |||
| 124 | 2981 | 47 | None | -60 | 33 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | 10.1016/j.bmcl.2013.12.024 | |||
| 2032 | 2981 | 47 | None | -60 | 33 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | 10.1016/j.bmcl.2013.12.024 | |||
| 4636 | 2981 | 47 | None | -60 | 33 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | 10.1016/j.bmcl.2013.12.024 | |||
| CHEMBL762 | 2981 | 47 | None | -60 | 33 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | 10.1016/j.bmcl.2013.12.024 | |||
| DB00935 | 2981 | 47 | None | -60 | 33 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | 10.1016/j.bmcl.2013.12.024 | |||
| 102 | 4127 | 48 | None | -2 | 49 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | nan | |||
| 3659 | 4127 | 48 | None | -2 | 49 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | nan | |||
| 8969 | 4127 | 48 | None | -2 | 49 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | nan | |||
| CHEMBL15245 | 4127 | 48 | None | -2 | 49 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | nan | |||
| DB01392 | 4127 | 48 | None | -2 | 49 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | nan | |||
| 44402531 | 69612 | 0 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 468 | 5 | 4 | 6 | 0.9 | COC(=O)CNC(=O)CNC(=O)[C@@H]1C2C[C@H]3c4[nH]c5ccccc5c4CCN3C[C@@H]2CC[C@@H]1O | 10.1016/j.bmcl.2005.03.116 | |||
| CHEMBL193458 | 69612 | 0 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 468 | 5 | 4 | 6 | 0.9 | COC(=O)CNC(=O)CNC(=O)[C@@H]1C2C[C@H]3c4[nH]c5ccccc5c4CCN3C[C@@H]2CC[C@@H]1O | 10.1016/j.bmcl.2005.03.116 | |||
| 44325075 | 111765 | 0 | None | 2 | 2 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 465 | 8 | 0 | 8 | 2.7 | COc1cc2c(cc1OC)C1=NOC(CN3CCN(CCC(=O)c4ccccc4)CC3)C1CO2 | 10.1016/s0960-894x(03)00525-0 | |||
| CHEMBL328735 | 111765 | 0 | None | 2 | 2 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 465 | 8 | 0 | 8 | 2.7 | COc1cc2c(cc1OC)C1=NOC(CN3CCN(CCC(=O)c4ccccc4)CC3)C1CO2 | 10.1016/s0960-894x(03)00525-0 | |||
| 10473701 | 83238 | 0 | None | 165 | 3 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 360 | 3 | 1 | 4 | 4.8 | Cc1cnc2ccccc2c1Nc1ccc(N2CCN(C)C(C)(C)C2)cc1 | 10.1016/j.ejmech.2010.12.026 | |||
| CHEMBL218679 | 83238 | 0 | None | 165 | 3 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 360 | 3 | 1 | 4 | 4.8 | Cc1cnc2ccccc2c1Nc1ccc(N2CCN(C)C(C)(C)C2)cc1 | 10.1016/j.ejmech.2010.12.026 | |||
| 10473701 | 83238 | 0 | None | 165 | 3 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 360 | 3 | 1 | 4 | 4.8 | Cc1cnc2ccccc2c1Nc1ccc(N2CCN(C)C(C)(C)C2)cc1 | 10.1021/jm060262x | |||
| CHEMBL218679 | 83238 | 0 | None | 165 | 3 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 360 | 3 | 1 | 4 | 4.8 | Cc1cnc2ccccc2c1Nc1ccc(N2CCN(C)C(C)(C)C2)cc1 | 10.1021/jm060262x | |||
| 134551 | 358 | 27 | None | -5 | 21 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 575 | 5 | 3 | 6 | 2.4 | CC(C[C@H]1C(=O)N2CCC[C@H]2[C@]2(N1C(=O)[C@@](O2)(NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)C(C)C)O)C | nan | |||
| 271 | 358 | 27 | None | -5 | 21 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 575 | 5 | 3 | 6 | 2.4 | CC(C[C@H]1C(=O)N2CCC[C@H]2[C@]2(N1C(=O)[C@@](O2)(NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)C(C)C)O)C | nan | |||
| 885 | 358 | 27 | None | -5 | 21 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 575 | 5 | 3 | 6 | 2.4 | CC(C[C@H]1C(=O)N2CCC[C@H]2[C@]2(N1C(=O)[C@@](O2)(NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)C(C)C)O)C | nan | |||
| CHEMBL1403281 | 358 | 27 | None | -5 | 21 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 575 | 5 | 3 | 6 | 2.4 | CC(C[C@H]1C(=O)N2CCC[C@H]2[C@]2(N1C(=O)[C@@](O2)(NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)C(C)C)O)C | nan | |||
| 49781005 | 17214 | 0 | None | -3 | 4 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 226 | 2 | 1 | 2 | 2.5 | CO[C@H]1c2ccccc2[C@H]2C[C@@]12c1c[nH]cn1 | 10.1021/jm1006269 | |||
| CHEMBL1256503 | 17214 | 0 | None | -3 | 4 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 226 | 2 | 1 | 2 | 2.5 | CO[C@H]1c2ccccc2[C@H]2C[C@@]12c1c[nH]cn1 | 10.1021/jm1006269 | |||
| 10251036 | 81885 | 0 | None | 70 | 3 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 410 | 4 | 2 | 5 | 4.7 | CN1CCN(c2ccc(Nc3c(CO)cnc4cc(Cl)ccc34)cc2)CC1(C)C | 10.1021/jm060262x | |||
| CHEMBL216464 | 81885 | 0 | None | 70 | 3 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 410 | 4 | 2 | 5 | 4.7 | CN1CCN(c2ccc(Nc3c(CO)cnc4cc(Cl)ccc34)cc2)CC1(C)C | 10.1021/jm060262x | |||
| 10251036 | 81885 | 0 | None | 70 | 3 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 410 | 4 | 2 | 5 | 4.7 | CN1CCN(c2ccc(Nc3c(CO)cnc4cc(Cl)ccc34)cc2)CC1(C)C | 10.1016/j.ejmech.2010.12.026 | |||
| CHEMBL216464 | 81885 | 0 | None | 70 | 3 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 410 | 4 | 2 | 5 | 4.7 | CN1CCN(c2ccc(Nc3c(CO)cnc4cc(Cl)ccc34)cc2)CC1(C)C | 10.1016/j.ejmech.2010.12.026 | |||
| 10475736 | 165863 | 0 | None | 26 | 3 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 394 | 4 | 2 | 5 | 4.1 | CN1CCN(c2ccc(Nc3c(CO)cnc4ccc(F)cc34)cc2)CC1(C)C | 10.1016/j.ejmech.2010.12.026 | |||
| CHEMBL424917 | 165863 | 0 | None | 26 | 3 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 394 | 4 | 2 | 5 | 4.1 | CN1CCN(c2ccc(Nc3c(CO)cnc4ccc(F)cc34)cc2)CC1(C)C | 10.1016/j.ejmech.2010.12.026 | |||
| 10475736 | 165863 | 0 | None | 26 | 3 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 394 | 4 | 2 | 5 | 4.1 | CN1CCN(c2ccc(Nc3c(CO)cnc4ccc(F)cc34)cc2)CC1(C)C | 10.1021/jm060262x | |||
| CHEMBL424917 | 165863 | 0 | None | 26 | 3 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 394 | 4 | 2 | 5 | 4.1 | CN1CCN(c2ccc(Nc3c(CO)cnc4ccc(F)cc34)cc2)CC1(C)C | 10.1021/jm060262x | |||
| 657255 | 199084 | 34 | None | -8 | 15 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 337 | 12 | 2 | 3 | 5.6 | CCCCCCCCN[C@H](C)[C@@H](O)c1ccc(SC(C)C)cc1 | nan | |||
| CHEMBL588119 | 199084 | 34 | None | -8 | 15 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 337 | 12 | 2 | 3 | 5.6 | CCCCCCCCN[C@H](C)[C@@H](O)c1ccc(SC(C)C)cc1 | nan | |||
| 16090599 | 81545 | 0 | None | 1 | 2 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 360 | 3 | 1 | 4 | 5.0 | Cc1nc2c(C)cccc2c(Nc2ccc(N3CCCN(C)C3)cc2)c1C | 10.1016/j.ejmech.2010.12.026 | |||
| CHEMBL216072 | 81545 | 0 | None | 1 | 2 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 360 | 3 | 1 | 4 | 5.0 | Cc1nc2c(C)cccc2c(Nc2ccc(N3CCCN(C)C3)cc2)c1C | 10.1016/j.ejmech.2010.12.026 | |||
| 50878551 | 90745 | 61 | None | -22 | 18 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 270 | 8 | 1 | 2 | 3.4 | C=CCN(CC=C)CCc1c[nH]c2ccc(OC)cc12 | 10.1016/j.bmcl.2013.03.066 | |||
| CHEMBL2391541 | 90745 | 61 | None | -22 | 18 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 270 | 8 | 1 | 2 | 3.4 | C=CCN(CC=C)CCc1c[nH]c2ccc(OC)cc12 | 10.1016/j.bmcl.2013.03.066 | |||
| 45487958 | 198391 | 0 | None | -14 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 190 | 2 | 1 | 3 | 1.5 | Cc1ccccc1COC1=NCCN1 | 10.1021/jm901262f | |||
| CHEMBL576819 | 198391 | 0 | None | -14 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 190 | 2 | 1 | 3 | 1.5 | Cc1ccccc1COC1=NCCN1 | 10.1021/jm901262f | |||
| 7059292 | 76300 | 7 | None | -5 | 3 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 194 | 1 | 1 | 2 | 2.9 | Clc1ccccc1NC1=NCCC1 | 10.1016/j.bmc.2012.06.008 | |||
| CHEMBL2058633 | 76300 | 7 | None | -5 | 3 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 194 | 1 | 1 | 2 | 2.9 | Clc1ccccc1NC1=NCCC1 | 10.1016/j.bmc.2012.06.008 | |||
| 73346332 | 92535 | 0 | None | -2 | 4 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 297 | 3 | 0 | 2 | 2.6 | CN(Cc1cccc(F)c1)[C@H]1C2C3CC4C2C(=O)C2C4C3C21 | 10.1016/j.bmc.2013.07.045 | |||
| CHEMBL2432041 | 92535 | 0 | None | -2 | 4 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 297 | 3 | 0 | 2 | 2.6 | CN(Cc1cccc(F)c1)[C@H]1C2C3CC4C2C(=O)C2C4C3C21 | 10.1016/j.bmc.2013.07.045 | |||
| 50878551 | 90745 | 61 | None | -22 | 18 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 270 | 8 | 1 | 2 | 3.4 | C=CCN(CC=C)CCc1c[nH]c2ccc(OC)cc12 | 10.1016/j.bmcl.2013.03.066 | |||
| CHEMBL2391541 | 90745 | 61 | None | -22 | 18 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 270 | 8 | 1 | 2 | 3.4 | C=CCN(CC=C)CCc1c[nH]c2ccc(OC)cc12 | 10.1016/j.bmcl.2013.03.066 | |||
| 10198135 | 205125 | 3 | None | -51 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 203 | 3 | 2 | 3 | 2.5 | COc1ccc(Nc2ncc[nH]2)c(C)c1 | 10.1021/jm9605142 | |||
| CHEMBL77913 | 205125 | 3 | None | -51 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 203 | 3 | 2 | 3 | 2.5 | COc1ccc(Nc2ncc[nH]2)c(C)c1 | 10.1021/jm9605142 | |||
| 44329027 | 4168 | 0 | None | -26 | 6 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 637 | 13 | 3 | 7 | 4.9 | CCC1=C(C(N)=O)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)=C(COC)N1 | 10.1016/s0960-894x(99)00484-9 | |||
| CHEMBL100045 | 4168 | 0 | None | -26 | 6 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 637 | 13 | 3 | 7 | 4.9 | CCC1=C(C(N)=O)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)=C(COC)N1 | 10.1016/s0960-894x(99)00484-9 | |||
| 10177445 | 166042 | 0 | None | 32 | 3 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 374 | 4 | 1 | 4 | 5.2 | Cc1nc2ccccc2c(Nc2ccc(N3CCN(C)CC3)cc2)c1C(C)C | 10.1016/j.ejmech.2010.12.026 | |||
| CHEMBL425622 | 166042 | 0 | None | 32 | 3 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 374 | 4 | 1 | 4 | 5.2 | Cc1nc2ccccc2c(Nc2ccc(N3CCN(C)CC3)cc2)c1C(C)C | 10.1016/j.ejmech.2010.12.026 | |||
| 10177445 | 166042 | 0 | None | 32 | 3 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 374 | 4 | 1 | 4 | 5.2 | Cc1nc2ccccc2c(Nc2ccc(N3CCN(C)CC3)cc2)c1C(C)C | 10.1021/jm060262x | |||
| CHEMBL425622 | 166042 | 0 | None | 32 | 3 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 374 | 4 | 1 | 4 | 5.2 | Cc1nc2ccccc2c(Nc2ccc(N3CCN(C)CC3)cc2)c1C(C)C | 10.1021/jm060262x | |||
| 44292381 | 101394 | 0 | None | -2 | 3 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 244 | 2 | 1 | 3 | 2.7 | c1ccc([C@H]2CCCC[C@@H]2NC2=NCCO2)cc1 | 10.1021/jm9905256 | |||
| CHEMBL297228 | 101394 | 0 | None | -2 | 3 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 244 | 2 | 1 | 3 | 2.7 | c1ccc([C@H]2CCCC[C@@H]2NC2=NCCO2)cc1 | 10.1021/jm9905256 | |||
| 46743607 | 121712 | 0 | None | - | 1 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 264 | 5 | 2 | 3 | 2.8 | c1ccc(-c2nc(CNCc3cccnc3)c[nH]2)cc1 | 10.1016/j.bmc.2015.01.013 | |||
| CHEMBL3588905 | 121712 | 0 | None | - | 1 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 264 | 5 | 2 | 3 | 2.8 | c1ccc(-c2nc(CNCc3cccnc3)c[nH]2)cc1 | 10.1016/j.bmc.2015.01.013 | |||
| 71450550 | 83807 | 0 | None | -1 | 16 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 309 | 4 | 1 | 3 | 2.0 | COc1ccccc1CCN1C2C3C4CC5C6C4C2C6C1(O)C53 | 10.1016/j.bmcl.2012.08.046 | |||
| CHEMBL2205836 | 83807 | 0 | None | -1 | 16 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 309 | 4 | 1 | 3 | 2.0 | COc1ccccc1CCN1C2C3C4CC5C6C4C2C6C1(O)C53 | 10.1016/j.bmcl.2012.08.046 | |||
| 8032110 | 121710 | 14 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 198 | 3 | 1 | 2 | 3.0 | Cc1ccccc1NCc1ccncc1 | 10.1016/j.bmc.2015.01.013 | |||
| CHEMBL3588903 | 121710 | 14 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 198 | 3 | 1 | 2 | 3.0 | Cc1ccccc1NCc1ccncc1 | 10.1016/j.bmc.2015.01.013 | |||
| 16757182 | 153251 | 0 | None | -7 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 311 | 5 | 1 | 5 | 3.0 | C[C@H](Oc1ccccc1-c1cccc([N+](=O)[O-])c1)C1=NCCN1 | 10.1021/jm061487a | |||
| CHEMBL397753 | 153251 | 0 | None | -7 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 311 | 5 | 1 | 5 | 3.0 | C[C@H](Oc1ccccc1-c1cccc([N+](=O)[O-])c1)C1=NCCN1 | 10.1021/jm061487a | |||
| 16757182 | 153251 | 0 | None | -7 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 311 | 5 | 1 | 5 | 3.0 | C[C@H](Oc1ccccc1-c1cccc([N+](=O)[O-])c1)C1=NCCN1 | 10.1021/jm100977d | |||
| CHEMBL397753 | 153251 | 0 | None | -7 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 311 | 5 | 1 | 5 | 3.0 | C[C@H](Oc1ccccc1-c1cccc([N+](=O)[O-])c1)C1=NCCN1 | 10.1021/jm100977d | |||
| 2726 | 919 | 68 | None | -31 | 72 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | nan | |||
| 621 | 919 | 68 | None | -31 | 72 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | nan | |||
| 83 | 919 | 68 | None | -31 | 72 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | nan | |||
| CHEMBL71 | 919 | 68 | None | -31 | 72 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | nan | |||
| DB00477 | 919 | 68 | None | -31 | 72 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | nan | |||
| 2600 | 3779 | 74 | None | -4 | 13 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 471 | 8 | 2 | 3 | 6.4 | OC(c1ccc(cc1)C(C)(C)C)CCCN1CCC(CC1)C(c1ccccc1)(c1ccccc1)O | nan | |||
| 2608 | 3779 | 74 | None | -4 | 13 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 471 | 8 | 2 | 3 | 6.4 | OC(c1ccc(cc1)C(C)(C)C)CCCN1CCC(CC1)C(c1ccccc1)(c1ccccc1)O | nan | |||
| 5405 | 3779 | 74 | None | -4 | 13 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 471 | 8 | 2 | 3 | 6.4 | OC(c1ccc(cc1)C(C)(C)C)CCCN1CCC(CC1)C(c1ccccc1)(c1ccccc1)O | nan | |||
| CHEMBL17157 | 3779 | 74 | None | -4 | 13 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 471 | 8 | 2 | 3 | 6.4 | OC(c1ccc(cc1)C(C)(C)C)CCCN1CCC(CC1)C(c1ccccc1)(c1ccccc1)O | nan | |||
| DB00342 | 3779 | 74 | None | -4 | 13 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 471 | 8 | 2 | 3 | 6.4 | OC(c1ccc(cc1)C(C)(C)C)CCCN1CCC(CC1)C(c1ccccc1)(c1ccccc1)O | nan | |||
| 2765 | 943 | 19 | None | -15 | 9 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 216 | 4 | 1 | 3 | 1.9 | C1CN=C(N1)COc1ccccc1C1CC1 | 10.1021/ml400232p | |||
| 515 | 943 | 19 | None | -15 | 9 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 216 | 4 | 1 | 3 | 1.9 | C1CN=C(N1)COc1ccccc1C1CC1 | 10.1021/ml400232p | |||
| CHEMBL13852 | 943 | 19 | None | -15 | 9 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 216 | 4 | 1 | 3 | 1.9 | C1CN=C(N1)COc1ccccc1C1CC1 | 10.1021/ml400232p | |||
| DB09202 | 943 | 19 | None | -15 | 9 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 216 | 4 | 1 | 3 | 1.9 | C1CN=C(N1)COc1ccccc1C1CC1 | 10.1021/ml400232p | |||
| 2765 | 943 | 19 | None | -15 | 9 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 216 | 4 | 1 | 3 | 1.9 | C1CN=C(N1)COc1ccccc1C1CC1 | 10.1021/jm901262f | |||
| 515 | 943 | 19 | None | -15 | 9 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 216 | 4 | 1 | 3 | 1.9 | C1CN=C(N1)COc1ccccc1C1CC1 | 10.1021/jm901262f | |||
| CHEMBL13852 | 943 | 19 | None | -15 | 9 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 216 | 4 | 1 | 3 | 1.9 | C1CN=C(N1)COc1ccccc1C1CC1 | 10.1021/jm901262f | |||
| DB09202 | 943 | 19 | None | -15 | 9 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 216 | 4 | 1 | 3 | 1.9 | C1CN=C(N1)COc1ccccc1C1CC1 | 10.1021/jm901262f | |||
| 49783209 | 17609 | 0 | None | -281 | 26 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 396 | 7 | 1 | 6 | 3.8 | CCCCN1CCC(COC(=O)c2cc(Cl)c(NC)c3c2OCCO3)CC1 | 10.1021/jm100668r | |||
| CHEMBL1258223 | 17609 | 0 | None | -281 | 26 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 396 | 7 | 1 | 6 | 3.8 | CCCCN1CCC(COC(=O)c2cc(Cl)c(NC)c3c2OCCO3)CC1 | 10.1021/jm100668r | |||
| 71459604 | 83793 | 0 | None | 1 | 14 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 309 | 4 | 1 | 3 | 2.0 | COc1cccc(CCN2C3C4C5CC6C7C5C3C7C2(O)C64)c1 | 10.1016/j.bmcl.2012.08.046 | |||
| CHEMBL2205811 | 83793 | 0 | None | 1 | 14 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 309 | 4 | 1 | 3 | 2.0 | COc1cccc(CCN2C3C4C5CC6C7C5C3C7C2(O)C64)c1 | 10.1016/j.bmcl.2012.08.046 | |||
| 2803 | 955 | 58 | None | -4 | 19 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | 10.1016/0960-894X(94)85032-1 | |||
| 516 | 955 | 58 | None | -4 | 19 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | 10.1016/0960-894X(94)85032-1 | |||
| 704 | 955 | 58 | None | -4 | 19 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | 10.1016/0960-894X(94)85032-1 | |||
| CHEMBL134 | 955 | 58 | None | -4 | 19 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | 10.1016/0960-894X(94)85032-1 | |||
| DB00575 | 955 | 58 | None | -4 | 19 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | 10.1016/0960-894X(94)85032-1 | |||
| 237 | 204865 | 48 | None | -1 | 13 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 399 | 9 | 1 | 4 | 6.0 | CCN(CC)CCCC(C)Nc1c2ccc(Cl)cc2nc2ccc(OC)cc12 | nan | |||
| CHEMBL546257 | 204865 | 48 | None | -1 | 13 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 399 | 9 | 1 | 4 | 6.0 | CCN(CC)CCCC(C)Nc1c2ccc(Cl)cc2nc2ccc(OC)cc12 | nan | |||
| CHEMBL554190 | 204865 | 48 | None | -1 | 13 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 399 | 9 | 1 | 4 | 6.0 | CCN(CC)CCCC(C)Nc1c2ccc(Cl)cc2nc2ccc(OC)cc12 | nan | |||
| CHEMBL7568 | 204865 | 48 | None | -1 | 13 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 399 | 9 | 1 | 4 | 6.0 | CCN(CC)CCCC(C)Nc1c2ccc(Cl)cc2nc2ccc(OC)cc12 | nan | |||
| 101333429 | 117076 | 0 | None | -1412 | 6 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 608 | 10 | 2 | 7 | 5.6 | COC(=O)C1=C(C)NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1cccc([N+](=O)[O-])c1 | 10.1021/jm00019a001 | |||
| CHEMBL3392247 | 117076 | 0 | None | -1412 | 6 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 608 | 10 | 2 | 7 | 5.6 | COC(=O)C1=C(C)NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1cccc([N+](=O)[O-])c1 | 10.1021/jm00019a001 | |||
| 11564613 | 19413 | 108 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 191 | 1 | 1 | 3 | 1.0 | CN1CCN(c2cccc(N)c2)CC1 | 10.1016/j.bmc.2015.01.013 | |||
| CHEMBL129399 | 19413 | 108 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 191 | 1 | 1 | 3 | 1.0 | CN1CCN(c2cccc(N)c2)CC1 | 10.1016/j.bmc.2015.01.013 | |||
| CHEMBL1200633 | 208600 | 3 | None | -1 | 8 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H]1O[C@]2(CC[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)[C@@H](O[C@H]3C[C@H](OC)[C@@H](O[C@H]4C[C@H](OC)[C@@H](O)[C@H](C)O4)[C@H](C)O3)[C@@H](C)/C=C/C=C3\CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2.CO[C@H]1C[C@H](O[C@H]2[C@H](C)O[C@@H](O[C@@H]3/C(C)=C/C[C@@H]4C[C@@H](C[C@]5(CC[C@H](C)[C@@H](C(C)C)O5)O4)OC(=O)[C@@H]4C=C(C)[C@@H](O)[C@H]5OC/C(=C\C=C\[C@@H]3C)[C@@]45O)C[C@@H]2OC)O[C@@H](C)[C@@H]1O | nan | |||||
| 1201549 | 597 | 24 | None | -18 | 20 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 307 | 4 | 0 | 2 | 4.4 | CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(c1ccccc1)c1ccccc1 | nan | |||
| 333 | 597 | 24 | None | -18 | 20 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 307 | 4 | 0 | 2 | 4.4 | CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(c1ccccc1)c1ccccc1 | nan | |||
| 7601 | 597 | 24 | None | -18 | 20 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 307 | 4 | 0 | 2 | 4.4 | CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(c1ccccc1)c1ccccc1 | nan | |||
| CHEMBL1201203 | 597 | 24 | None | -18 | 20 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 307 | 4 | 0 | 2 | 4.4 | CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(c1ccccc1)c1ccccc1 | nan | |||
| CHEMBL438151 | 597 | 24 | None | -18 | 20 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 307 | 4 | 0 | 2 | 4.4 | CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(c1ccccc1)c1ccccc1 | nan | |||
| DB00245 | 597 | 24 | None | -18 | 20 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 307 | 4 | 0 | 2 | 4.4 | CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(c1ccccc1)c1ccccc1 | nan | |||
| 10531766 | 206997 | 0 | None | -512 | 6 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 607 | 9 | 2 | 7 | 6.3 | CO/C(O)=C1\C(C)=NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc2c(c1)OCO2 | 10.1021/jm980077m | |||
| CHEMBL91415 | 206997 | 0 | None | -512 | 6 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 607 | 9 | 2 | 7 | 6.3 | CO/C(O)=C1\C(C)=NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc2c(c1)OCO2 | 10.1021/jm980077m | |||
| 12699315 | 76298 | 0 | None | -4 | 3 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 243 | 1 | 2 | 3 | 2.8 | CC1CNC(Nc2c(Cl)cccc2Cl)=N1 | 10.1016/j.bmc.2012.06.008 | |||
| CHEMBL2058631 | 76298 | 0 | None | -4 | 3 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 243 | 1 | 2 | 3 | 2.8 | CC1CNC(Nc2c(Cl)cccc2Cl)=N1 | 10.1016/j.bmc.2012.06.008 | |||
| CHEMBL4513786 | 213967 | 7 | None | -1047 | 8 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | None | None | None | CCCCN(CCCC)C(=O)CN1C[C@@H](c2cc(OC)c3c(c2)OCO3)[C@H](C(=O)O)[C@H]1CC(C)(C)CCC | 10.6019/CHEMBL5212743 | |||||
| CHEMBL4796803 | 213967 | 7 | None | -1047 | 8 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | None | None | None | CCCCN(CCCC)C(=O)CN1C[C@@H](c2cc(OC)c3c(c2)OCO3)[C@H](C(=O)O)[C@H]1CC(C)(C)CCC | 10.6019/CHEMBL5212743 | |||||
| 124 | 2981 | 47 | None | -60 | 33 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | 10.1021/jm000542r | |||
| 2032 | 2981 | 47 | None | -60 | 33 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | 10.1021/jm000542r | |||
| 4636 | 2981 | 47 | None | -60 | 33 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | 10.1021/jm000542r | |||
| CHEMBL762 | 2981 | 47 | None | -60 | 33 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | 10.1021/jm000542r | |||
| DB00935 | 2981 | 47 | None | -60 | 33 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | 10.1021/jm000542r | |||
| 3561 | 19077 | 39 | None | -2 | 11 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 360 | 2 | 0 | 1 | 4.4 | Clc1cc(Cl)c(OCC#CI)cc1Cl | nan | |||
| CHEMBL1289 | 19077 | 39 | None | -2 | 11 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 360 | 2 | 0 | 1 | 4.4 | Clc1cc(Cl)c(OCC#CI)cc1Cl | nan | |||
| 11448533 | 84691 | 0 | None | 1 | 3 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 267 | 4 | 0 | 3 | 3.6 | CC(Oc1ccccc1-c1ccccc1)C1=NCCO1 | 10.1021/jm0408215 | |||
| CHEMBL222591 | 84691 | 0 | None | 1 | 3 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 267 | 4 | 0 | 3 | 3.6 | CC(Oc1ccccc1-c1ccccc1)C1=NCCO1 | 10.1021/jm0408215 | |||
| 11473729 | 84692 | 0 | None | 1 | 3 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 265 | 4 | 0 | 2 | 4.4 | CC(Oc1ccccc1-c1ccccc1)C1=NCCC1 | 10.1021/jm0408215 | |||
| CHEMBL222593 | 84692 | 0 | None | 1 | 3 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 265 | 4 | 0 | 2 | 4.4 | CC(Oc1ccccc1-c1ccccc1)C1=NCCC1 | 10.1021/jm0408215 | |||
| 44401164 | 69816 | 0 | None | -309 | 9 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 329 | 2 | 0 | 3 | 4.5 | CN(C)C[C@H]1CC2c3ccccc3Sc3ccc(F)cc3[C@H]2O1 | 10.1021/jm049632c | |||
| CHEMBL193639 | 69816 | 0 | None | -309 | 9 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 329 | 2 | 0 | 3 | 4.5 | CN(C)C[C@H]1CC2c3ccccc3Sc3ccc(F)cc3[C@H]2O1 | 10.1021/jm049632c | |||
| 49783419 | 17749 | 0 | None | -281 | 12 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 366 | 6 | 1 | 6 | 2.8 | CCCCN1CCC(COC(=O)c2cc(F)c(N)c3c2OCCO3)CC1 | 10.1021/jm100668r | |||
| CHEMBL1258671 | 17749 | 0 | None | -281 | 12 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 366 | 6 | 1 | 6 | 2.8 | CCCCN1CCC(COC(=O)c2cc(F)c(N)c3c2OCCO3)CC1 | 10.1021/jm100668r | |||
| 24771824 | 57343 | 57 | None | 1 | 2 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 455 | 4 | 1 | 5 | 5.4 | O=C(Nc1cccnn1)N1CCC(=Cc2cccc(Oc3ccc(C(F)(F)F)cn3)c2)CC1 | 10.6019/CHEMBL5212743 | |||
| CHEMBL1651534 | 57343 | 57 | None | 1 | 2 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 455 | 4 | 1 | 5 | 5.4 | O=C(Nc1cccnn1)N1CCC(=Cc2cccc(Oc3ccc(C(F)(F)F)cn3)c2)CC1 | 10.6019/CHEMBL5212743 | |||
| CHEMBL4780458 | 214048 | 0 | None | -2 | 4 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | None | None | None | O=C(Nc1cccnn1)N1CC(C/C=C/c2cncc(Oc3ccc(C(F)(F)F)cn3)n2)C1 | 10.6019/CHEMBL5212743 | |||||
| 44324765 | 111568 | 0 | None | 2 | 5 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 449 | 7 | 0 | 7 | 3.1 | COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C=C/c4ccccc4)CC3)[C@@H]1CO2 | 10.1016/j.bmcl.2004.03.031 | |||
| CHEMBL328114 | 111568 | 0 | None | 2 | 5 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 449 | 7 | 0 | 7 | 3.1 | COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C=C/c4ccccc4)CC3)[C@@H]1CO2 | 10.1016/j.bmcl.2004.03.031 | |||
| 9846548 | 207325 | 0 | None | 1 | 3 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 449 | 7 | 0 | 7 | 3.1 | COc1cc2c(cc1OC)C1=NOC(CN3CCN(C/C=C/c4ccccc4)CC3)C1CO2 | 10.1016/s0960-894x(03)00525-0 | |||
| CHEMBL93489 | 207325 | 0 | None | 1 | 3 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 449 | 7 | 0 | 7 | 3.1 | COc1cc2c(cc1OC)C1=NOC(CN3CCN(C/C=C/c4ccccc4)CC3)C1CO2 | 10.1016/s0960-894x(03)00525-0 | |||
| 10474679 | 97177 | 0 | None | 288 | 3 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 376 | 4 | 2 | 5 | 4.0 | CN1CCN(c2ccc(Nc3c(CO)cnc4ccccc34)cc2)CC1(C)C | 10.1016/j.ejmech.2010.12.026 | |||
| CHEMBL268217 | 97177 | 0 | None | 288 | 3 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 376 | 4 | 2 | 5 | 4.0 | CN1CCN(c2ccc(Nc3c(CO)cnc4ccccc34)cc2)CC1(C)C | 10.1016/j.ejmech.2010.12.026 | |||
| 10474679 | 97177 | 0 | None | 288 | 3 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 376 | 4 | 2 | 5 | 4.0 | CN1CCN(c2ccc(Nc3c(CO)cnc4ccccc34)cc2)CC1(C)C | 10.1021/jm060262x | |||
| CHEMBL268217 | 97177 | 0 | None | 288 | 3 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 376 | 4 | 2 | 5 | 4.0 | CN1CCN(c2ccc(Nc3c(CO)cnc4ccccc34)cc2)CC1(C)C | 10.1021/jm060262x | |||
| 6761 | 67799 | 19 | None | -3 | 18 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 401 | 5 | 1 | 4 | 4.5 | NC(=O)C1CCN(CCCN2c3ccccc3Sc3ccc(Cl)cc32)CC1 | nan | |||
| CHEMBL1909072 | 67799 | 19 | None | -3 | 18 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 401 | 5 | 1 | 4 | 4.5 | NC(=O)C1CCN(CCCN2c3ccccc3Sc3ccc(Cl)cc32)CC1 | nan | |||
| 16090596 | 82291 | 0 | None | 158 | 3 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 374 | 3 | 1 | 4 | 5.0 | Cc1nc2c(C)cccc2c(Nc2ccc(N3CCN(C)C(C)C3)cc2)c1C | 10.1021/jm060262x | |||
| CHEMBL217177 | 82291 | 0 | None | 158 | 3 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 374 | 3 | 1 | 4 | 5.0 | Cc1nc2c(C)cccc2c(Nc2ccc(N3CCN(C)C(C)C3)cc2)c1C | 10.1021/jm060262x | |||
| 16090596 | 82291 | 0 | None | 158 | 3 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 374 | 3 | 1 | 4 | 5.0 | Cc1nc2c(C)cccc2c(Nc2ccc(N3CCN(C)C(C)C3)cc2)c1C | 10.1016/j.ejmech.2010.12.026 | |||
| CHEMBL217177 | 82291 | 0 | None | 158 | 3 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 374 | 3 | 1 | 4 | 5.0 | Cc1nc2c(C)cccc2c(Nc2ccc(N3CCN(C)C(C)C3)cc2)c1C | 10.1016/j.ejmech.2010.12.026 | |||
| 44568347 | 191651 | 0 | None | -28 | 15 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 356 | 6 | 0 | 4 | 5.2 | CCN(CC)CCCOC(=O)N1c2ccccc2Sc2ccccc21 | 10.1016/j.bmcl.2013.04.082 | |||
| CHEMBL519609 | 191651 | 0 | None | -28 | 15 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 356 | 6 | 0 | 4 | 5.2 | CCN(CC)CCCOC(=O)N1c2ccccc2Sc2ccccc21 | 10.1016/j.bmcl.2013.04.082 | |||
| 118717248 | 115124 | 0 | None | -18 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 219 | 1 | 2 | 3 | 0.5 | Fc1ccc2cnn(N=C3NCCN3)c2c1 | 10.1016/j.ejmech.2014.09.083 | |||
| CHEMBL3343699 | 115124 | 0 | None | -18 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 219 | 1 | 2 | 3 | 0.5 | Fc1ccc2cnn(N=C3NCCN3)c2c1 | 10.1016/j.ejmech.2014.09.083 | |||
| 11098175 | 204170 | 0 | None | -5 | 5 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 251 | 5 | 2 | 5 | 1.8 | COc1ccc(SC)c(NCC2=NCCN2)c1 | 10.1021/jm000542r | |||
| CHEMBL70691 | 204170 | 0 | None | -5 | 5 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 251 | 5 | 2 | 5 | 1.8 | COc1ccc(SC)c(NCC2=NCCN2)c1 | 10.1021/jm000542r | |||
| 11034737 | 204528 | 0 | None | -3 | 6 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 289 | 4 | 2 | 4 | 2.8 | CSc1ccc(C(F)(F)F)cc1NCC1=NCCN1 | 10.1021/jm000542r | |||
| CHEMBL72724 | 204528 | 0 | None | -3 | 6 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 289 | 4 | 2 | 4 | 2.8 | CSc1ccc(C(F)(F)F)cc1NCC1=NCCN1 | 10.1021/jm000542r | |||
| 57345627 | 71182 | 0 | None | -8 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 230 | 4 | 1 | 3 | 2.5 | C=C(C)c1ccccc1OC(C)C1=NCCN1 | 10.1016/j.bmc.2012.01.035 | |||
| CHEMBL1956194 | 71182 | 0 | None | -8 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 230 | 4 | 1 | 3 | 2.5 | C=C(C)c1ccccc1OC(C)C1=NCCN1 | 10.1016/j.bmc.2012.01.035 | |||
| 5353853 | 17986 | 47 | None | -11 | 15 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 427 | 6 | 0 | 4 | 6.1 | Clc1ccc(CO/N=C(\Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1 | nan | |||
| 9556529 | 17986 | 47 | None | -11 | 15 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 427 | 6 | 0 | 4 | 6.1 | Clc1ccc(CO/N=C(\Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1 | nan | |||
| CHEMBL1262 | 17986 | 47 | None | -11 | 15 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 427 | 6 | 0 | 4 | 6.1 | Clc1ccc(CO/N=C(\Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1 | nan | |||
| 441383 | 20333 | 57 | None | 2 | 16 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 531 | 8 | 0 | 8 | 4.5 | CC(C)N1CCN(c2ccc(OC[C@H]3CO[C@](Cn4cncn4)(c4ccc(Cl)cc4Cl)O3)cc2)CC1 | nan | |||
| CHEMBL1306 | 20333 | 57 | None | 2 | 16 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 531 | 8 | 0 | 8 | 4.5 | CC(C)N1CCN(c2ccc(OC[C@H]3CO[C@](Cn4cncn4)(c4ccc(Cl)cc4Cl)O3)cc2)CC1 | nan | |||
| 2337 | 3256 | 77 | None | -10 | 62 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | nan | |||
| 50 | 3256 | 77 | None | -10 | 62 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | nan | |||
| 5002 | 3256 | 77 | None | -10 | 62 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | nan | |||
| CHEMBL716 | 3256 | 77 | None | -10 | 62 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | nan | |||
| DB01224 | 3256 | 77 | None | -10 | 62 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | nan | |||
| 57401787 | 71253 | 0 | None | -1 | 3 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 308 | 3 | 1 | 4 | 2.3 | c1ccc(C2(c3ccccc3)COCC(C3=NCCN3)O2)cc1 | 10.1016/j.bmc.2012.02.016 | |||
| CHEMBL1956906 | 71253 | 0 | None | -1 | 3 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 308 | 3 | 1 | 4 | 2.3 | c1ccc(C2(c3ccccc3)COCC(C3=NCCN3)O2)cc1 | 10.1016/j.bmc.2012.02.016 | |||
| 56645363 | 121490 | 12 | None | 2 | 4 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 311 | 3 | 1 | 4 | 3.8 | CC(C)(O)c1cncc(-c2nc3ccc(F)cc3n2C2CC2)c1 | 10.6019/CHEMBL5212743 | |||
| CHEMBL3582478 | 121490 | 12 | None | 2 | 4 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 311 | 3 | 1 | 4 | 3.8 | CC(C)(O)c1cncc(-c2nc3ccc(F)cc3n2C2CC2)c1 | 10.6019/CHEMBL5212743 | |||
| 1960 | 2857 | 67 | None | -20 | 26 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 10.1021/jm960012o | |||
| 439260 | 2857 | 67 | None | -20 | 26 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 10.1021/jm960012o | |||
| 505 | 2857 | 67 | None | -20 | 26 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 10.1021/jm960012o | |||
| CHEMBL1437 | 2857 | 67 | None | -20 | 26 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 10.1021/jm960012o | |||
| DB00368 | 2857 | 67 | None | -20 | 26 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 10.1021/jm960012o | |||
| 49836303 | 18572 | 1 | None | -10 | 4 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 230 | 4 | 1 | 3 | 2.3 | C[C@H](Oc1ccccc1C1CC1)C1=NCCN1 | 10.1021/ml400232p | |||
| CHEMBL1276220 | 18572 | 1 | None | -10 | 4 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 230 | 4 | 1 | 3 | 2.3 | C[C@H](Oc1ccccc1C1CC1)C1=NCCN1 | 10.1021/ml400232p | |||
| 49836303 | 18572 | 1 | None | -10 | 4 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 230 | 4 | 1 | 3 | 2.3 | C[C@H](Oc1ccccc1C1CC1)C1=NCCN1 | 10.1021/jm100977d | |||
| CHEMBL1276220 | 18572 | 1 | None | -10 | 4 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 230 | 4 | 1 | 3 | 2.3 | C[C@H](Oc1ccccc1C1CC1)C1=NCCN1 | 10.1021/jm100977d | |||
| 1265 | 942 | 60 | None | -112 | 8 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 270 | 7 | 1 | 3 | 3.0 | O=C(c1ccc(cc1)OCCCc1[nH]cnc1)C1CC1 | 10.1021/jm8003625 | |||
| 6422124 | 942 | 60 | None | -112 | 8 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 270 | 7 | 1 | 3 | 3.0 | O=C(c1ccc(cc1)OCCCc1[nH]cnc1)C1CC1 | 10.1021/jm8003625 | |||
| CHEMBL14638 | 942 | 60 | None | -112 | 8 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 270 | 7 | 1 | 3 | 3.0 | O=C(c1ccc(cc1)OCCCc1[nH]cnc1)C1CC1 | 10.1021/jm8003625 | |||
| 10508016 | 207156 | 0 | None | -17 | 6 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 613 | 9 | 2 | 5 | 7.7 | CO/C(O)=C1\C(C)=NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc2ccccc2c1 | 10.1021/jm980077m | |||
| CHEMBL92322 | 207156 | 0 | None | -17 | 6 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 613 | 9 | 2 | 5 | 7.7 | CO/C(O)=C1\C(C)=NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc2ccccc2c1 | 10.1021/jm980077m | |||
| 72947314 | 92490 | 0 | None | -8 | 4 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 230 | 5 | 1 | 3 | 2.0 | c1ccc(OCC2=NCCN2)c(CC2CC2)c1 | 10.1021/ml400232p | |||
| CHEMBL2431281 | 92490 | 0 | None | -8 | 4 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 230 | 5 | 1 | 3 | 2.0 | c1ccc(OCC2=NCCN2)c(CC2CC2)c1 | 10.1021/ml400232p | |||
| 127036932 | 137348 | 0 | None | -20 | 22 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 274 | 7 | 1 | 1 | 4.0 | C=CCN(CC=C)CCc1c[nH]c2ccc(Cl)cc12 | 10.1016/j.bmcl.2015.12.053 | |||
| CHEMBL3752900 | 137348 | 0 | None | -20 | 22 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 274 | 7 | 1 | 1 | 4.0 | C=CCN(CC=C)CCc1c[nH]c2ccc(Cl)cc12 | 10.1016/j.bmcl.2015.12.053 | |||
| 57395732 | 71191 | 0 | None | -1 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 342 | 5 | 1 | 3 | 4.8 | CC(Oc1c(-c2ccccc2)cccc1-c1ccccc1)C1=NCCN1 | 10.1016/j.bmc.2012.01.035 | |||
| CHEMBL1956203 | 71191 | 0 | None | -1 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 342 | 5 | 1 | 3 | 4.8 | CC(Oc1c(-c2ccccc2)cccc1-c1ccccc1)C1=NCCN1 | 10.1016/j.bmc.2012.01.035 | |||
| 2406 | 100404 | 89 | None | -11 | 12 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 354 | 2 | 2 | 3 | 5.9 | Oc1c(Cl)cc(Cl)cc1Sc1cc(Cl)cc(Cl)c1O | nan | |||
| CHEMBL290106 | 100404 | 89 | None | -11 | 12 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 354 | 2 | 2 | 3 | 5.9 | Oc1c(Cl)cc(Cl)cc1Sc1cc(Cl)cc(Cl)c1O | nan | |||
| 122295 | 9868 | 7 | None | -1 | 9 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 279 | 3 | 0 | 2 | 3.7 | CC(C)=CCOc1ccc(Cl)c2c1CCN(C)CC2 | 10.1021/jm00018a001 | |||
| CHEMBL114166 | 9868 | 7 | None | -1 | 9 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 279 | 3 | 0 | 2 | 3.7 | CC(C)=CCOc1ccc(Cl)c2c1CCN(C)CC2 | 10.1021/jm00018a001 | |||
| 122295 | 9868 | 7 | None | -1 | 9 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 279 | 3 | 0 | 2 | 3.7 | CC(C)=CCOc1ccc(Cl)c2c1CCN(C)CC2 | 10.1021/jm00019a001 | |||
| CHEMBL114166 | 9868 | 7 | None | -1 | 9 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 279 | 3 | 0 | 2 | 3.7 | CC(C)=CCOc1ccc(Cl)c2c1CCN(C)CC2 | 10.1021/jm00019a001 | |||
| 44568614 | 187623 | 0 | None | -1 | 3 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 252 | 4 | 1 | 3 | 2.8 | c1ccc(OC(C2=NCCN2)c2ccccc2)cc1 | 10.1021/jm800250z | |||
| CHEMBL494885 | 187623 | 0 | None | -1 | 3 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 252 | 4 | 1 | 3 | 2.8 | c1ccc(OC(C2=NCCN2)c2ccccc2)cc1 | 10.1021/jm800250z | |||
| 11265631 | 136409 | 0 | None | 2 | 3 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 267 | 4 | 1 | 4 | 2.5 | CC(Oc1ccccc1-c1cccnc1)C1=NCCN1 | 10.1021/jm061487a | |||
| CHEMBL373535 | 136409 | 0 | None | 2 | 3 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 267 | 4 | 1 | 4 | 2.5 | CC(Oc1ccccc1-c1cccnc1)C1=NCCN1 | 10.1021/jm061487a | |||
| 11265631 | 136409 | 0 | None | 2 | 3 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 267 | 4 | 1 | 4 | 2.5 | CC(Oc1ccccc1-c1cccnc1)C1=NCCN1 | 10.1021/jm0408215 | |||
| CHEMBL373535 | 136409 | 0 | None | 2 | 3 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 267 | 4 | 1 | 4 | 2.5 | CC(Oc1ccccc1-c1cccnc1)C1=NCCN1 | 10.1021/jm0408215 | |||
| 24882007 | 12473 | 1 | None | -12 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 201 | 1 | 2 | 3 | 0.3 | c1ccc2c(c1)cnn2N=C1NCCN1 | 10.1016/j.ejmech.2014.09.083 | |||
| CHEMBL1186220 | 12473 | 1 | None | -12 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 201 | 1 | 2 | 3 | 0.3 | c1ccc2c(c1)cnn2N=C1NCCN1 | 10.1016/j.ejmech.2014.09.083 | |||
| 15675860 | 204429 | 0 | None | -8 | 4 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 305 | 1 | 2 | 5 | 2.1 | Cc1cnc2c(Br)c(NC3=NCCN3)ccc2n1 | 10.1016/0960-894X(95)00391-6 | |||
| CHEMBL72147 | 204429 | 0 | None | -8 | 4 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 305 | 1 | 2 | 5 | 2.1 | Cc1cnc2c(Br)c(NC3=NCCN3)ccc2n1 | 10.1016/0960-894X(95)00391-6 | |||
| 44312036 | 204565 | 1 | None | 5 | 4 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 305 | 1 | 2 | 5 | 2.2 | CC1CN=C(Nc2ccc3nccnc3c2Br)N1 | 10.1016/0960-894X(95)00391-6 | |||
| CHEMBL72995 | 204565 | 1 | None | 5 | 4 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 305 | 1 | 2 | 5 | 2.2 | CC1CN=C(Nc2ccc3nccnc3c2Br)N1 | 10.1016/0960-894X(95)00391-6 | |||
| 434526 | 77568 | 28 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 194 | 3 | 1 | 4 | 1.9 | NCCSc1nc2ccccc2o1 | 10.1016/j.bmc.2015.01.013 | |||
| CHEMBL2087646 | 77568 | 28 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 194 | 3 | 1 | 4 | 1.9 | NCCSc1nc2ccccc2o1 | 10.1016/j.bmc.2015.01.013 | |||
| 44421258 | 84746 | 0 | None | -3 | 3 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 264 | 3 | 1 | 3 | 2.8 | c1ccc(-c2ccccc2C2OC2C2=NCCN2)cc1 | 10.1021/jm0408215 | |||
| CHEMBL1204386 | 84746 | 0 | None | -3 | 3 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 264 | 3 | 1 | 3 | 2.8 | c1ccc(-c2ccccc2C2OC2C2=NCCN2)cc1 | 10.1021/jm0408215 | |||
| CHEMBL222933 | 84746 | 0 | None | -3 | 3 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 264 | 3 | 1 | 3 | 2.8 | c1ccc(-c2ccccc2C2OC2C2=NCCN2)cc1 | 10.1021/jm0408215 | |||
| 1960 | 2857 | 67 | None | -12 | 26 | Mouse | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | nan | |||
| 439260 | 2857 | 67 | None | -12 | 26 | Mouse | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | nan | |||
| 505 | 2857 | 67 | None | -12 | 26 | Mouse | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | nan | |||
| CHEMBL1437 | 2857 | 67 | None | -12 | 26 | Mouse | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | nan | |||
| DB00368 | 2857 | 67 | None | -12 | 26 | Mouse | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | nan | |||
| 68617 | 205527 | 62 | None | -9 | 26 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 305 | 2 | 1 | 1 | 5.2 | CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc21 | nan | |||
| CHEMBL1709 | 205527 | 62 | None | -9 | 26 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 305 | 2 | 1 | 1 | 5.2 | CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc21 | nan | |||
| CHEMBL809 | 205527 | 62 | None | -9 | 26 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 305 | 2 | 1 | 1 | 5.2 | CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc21 | nan | |||
| CHEMBL4777443 | 214046 | 0 | None | -31 | 14 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | None | None | None | CC(C)(C)OC(=O)N1CCCC1CN[C@H]1CC[C@@](c2cc(F)ccc2F)(S(=O)(=O)c2ccc(Cl)cc2)CC1 | 10.6019/CHEMBL5212743 | |||||
| 44288877 | 168599 | 0 | None | -933 | 5 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 549 | 7 | 1 | 5 | 4.3 | CC1=C(C(=O)NCCCN2CCC(C#N)(c3ccc(F)cc3C#N)CC2)[C@@H](c2ccc(F)c(F)c2)CC(=O)N1C | 10.1016/s0960-894x(99)00696-4 | |||
| CHEMBL43594 | 168599 | 0 | None | -933 | 5 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 549 | 7 | 1 | 5 | 4.3 | CC1=C(C(=O)NCCCN2CCC(C#N)(c3ccc(F)cc3C#N)CC2)[C@@H](c2ccc(F)c(F)c2)CC(=O)N1C | 10.1016/s0960-894x(99)00696-4 | |||
| CHEMBL4516843 | 213970 | 0 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | None | None | None | NS(=O)(=O)c1cc(NC(=O)C2(c3ccccc3Cl)CC2)ccc1Oc1cccc(Cl)c1 | 10.6019/CHEMBL5212743 | |||||
| 49781004 | 17213 | 0 | None | -5 | 4 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 226 | 2 | 1 | 2 | 2.5 | CO[C@@H]1c2ccccc2[C@H]2C[C@]21c1c[nH]cn1 | 10.1021/jm1006269 | |||
| CHEMBL1256502 | 17213 | 0 | None | -5 | 4 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 226 | 2 | 1 | 2 | 2.5 | CO[C@@H]1c2ccccc2[C@H]2C[C@]21c1c[nH]cn1 | 10.1021/jm1006269 | |||
| 10848826 | 188880 | 0 | None | -3 | 3 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 258 | 3 | 1 | 3 | 2.8 | c1ccc(C[C@H]2CCCC[C@@H]2NC2=NCCO2)cc1 | 10.1021/jm9905256 | |||
| CHEMBL50719 | 188880 | 0 | None | -3 | 3 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 258 | 3 | 1 | 3 | 2.8 | c1ccc(C[C@H]2CCCC[C@@H]2NC2=NCCO2)cc1 | 10.1021/jm9905256 | |||
| 57345629 | 71185 | 0 | None | -45 | 4 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 246 | 5 | 1 | 4 | 2.0 | CC(Oc1ccccc1OC1CC1)C1=NCCN1 | 10.1021/ml400232p | |||
| CHEMBL1956197 | 71185 | 0 | None | -45 | 4 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 246 | 5 | 1 | 4 | 2.0 | CC(Oc1ccccc1OC1CC1)C1=NCCN1 | 10.1021/ml400232p | |||
| 57345629 | 71185 | 0 | None | -45 | 4 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 246 | 5 | 1 | 4 | 2.0 | CC(Oc1ccccc1OC1CC1)C1=NCCN1 | 10.1016/j.bmc.2012.01.035 | |||
| CHEMBL1956197 | 71185 | 0 | None | -45 | 4 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 246 | 5 | 1 | 4 | 2.0 | CC(Oc1ccccc1OC1CC1)C1=NCCN1 | 10.1016/j.bmc.2012.01.035 | |||
| 24906197 | 187666 | 0 | None | -3 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 323 | 7 | 1 | 5 | 3.0 | CC(Oc1ccccc1/C=N/OCc1ccccc1)C1=NCCN1 | 10.1021/jm800250z | |||
| CHEMBL495097 | 187666 | 0 | None | -3 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 323 | 7 | 1 | 5 | 3.0 | CC(Oc1ccccc1/C=N/OCc1ccccc1)C1=NCCN1 | 10.1021/jm800250z | |||
| 44401042 | 124829 | 0 | None | -181 | 9 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 329 | 2 | 0 | 3 | 4.6 | CN(C)C[C@@H]1CC2c3ccccc3Oc3ccc(Cl)cc3[C@H]2O1 | 10.1021/jm049632c | |||
| CHEMBL364270 | 124829 | 0 | None | -181 | 9 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 329 | 2 | 0 | 3 | 4.6 | CN(C)C[C@@H]1CC2c3ccccc3Oc3ccc(Cl)cc3[C@H]2O1 | 10.1021/jm049632c | |||
| CHEMBL179334 | 63303 | 0 | None | -3715 | 6 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 608 | 10 | 2 | 7 | 6.4 | CO/C(O)=C1\C(C)=NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)[C@H]1c1ccc([N+](=O)[O-])cc1 | 10.1021/jm00010a001 | |||
| 36381 | 12942 | 5 | None | -1 | 6 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 265 | 2 | 1 | 2 | 1.9 | OC12C3C4CC5C6C4C1C6C(C53)N2Cc1ccccc1 | 10.1016/j.bmcl.2012.08.046 | |||
| CHEMBL1189234 | 12942 | 5 | None | -1 | 6 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 265 | 2 | 1 | 2 | 1.9 | OC12C3C4CC5C6C4C1C6C(C53)N2Cc1ccccc1 | 10.1016/j.bmcl.2012.08.046 | |||
| 36381 | 12942 | 5 | None | -1 | 6 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 265 | 2 | 1 | 2 | 1.9 | OC12C3C4CC5C6C4C1C6C(C53)N2Cc1ccccc1 | 10.1016/j.bmc.2013.07.045 | |||
| CHEMBL1189234 | 12942 | 5 | None | -1 | 6 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 265 | 2 | 1 | 2 | 1.9 | OC12C3C4CC5C6C4C1C6C(C53)N2Cc1ccccc1 | 10.1016/j.bmc.2013.07.045 | |||
| 73355415 | 92533 | 0 | None | -3 | 13 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 277 | 3 | 1 | 1 | 2.1 | C1C2C3CC4C2C2C1C3[C@H](NCC13C5C6C7C5C1C7C63)C42 | 10.1016/j.bmc.2013.07.045 | |||
| CHEMBL2432039 | 92533 | 0 | None | -3 | 13 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 277 | 3 | 1 | 1 | 2.1 | C1C2C3CC4C2C2C1C3[C@H](NCC13C5C6C7C5C1C7C63)C42 | 10.1016/j.bmc.2013.07.045 | |||
| 9839050 | 112379 | 0 | None | -144 | 9 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 293 | 2 | 0 | 2 | 3.8 | CN(C)C[C@H]1C[C@@H]2c3ccccc3Cc3ccccc3[C@H]2O1 | 10.1021/jm049632c | |||
| CHEMBL329566 | 112379 | 0 | None | -144 | 9 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 293 | 2 | 0 | 2 | 3.8 | CN(C)C[C@H]1C[C@@H]2c3ccccc3Cc3ccccc3[C@H]2O1 | 10.1021/jm049632c | |||
| 1593 | 2340 | 66 | None | -6 | 4 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 258 | 3 | 1 | 3 | 2.8 | CC(C1=NCCN1)Oc1c(Cl)cccc1Cl | 10.1016/j.bmc.2012.01.035 | |||
| 30668 | 2340 | 66 | None | -6 | 4 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 258 | 3 | 1 | 3 | 2.8 | CC(C1=NCCN1)Oc1c(Cl)cccc1Cl | 10.1016/j.bmc.2012.01.035 | |||
| 9868 | 2340 | 66 | None | -6 | 4 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 258 | 3 | 1 | 3 | 2.8 | CC(C1=NCCN1)Oc1c(Cl)cccc1Cl | 10.1016/j.bmc.2012.01.035 | |||
| CHEMBL17860 | 2340 | 66 | None | -6 | 4 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 258 | 3 | 1 | 3 | 2.8 | CC(C1=NCCN1)Oc1c(Cl)cccc1Cl | 10.1016/j.bmc.2012.01.035 | |||
| DB04948 | 2340 | 66 | None | -6 | 4 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 258 | 3 | 1 | 3 | 2.8 | CC(C1=NCCN1)Oc1c(Cl)cccc1Cl | 10.1016/j.bmc.2012.01.035 | |||
| 9923679 | 81762 | 0 | None | -1 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 332 | 3 | 1 | 4 | 4.0 | Cc1cc(Nc2ccc(N3CCN(C)CC3)cc2)c2ccccc2n1 | 10.1021/jm060262x | |||
| CHEMBL216399 | 81762 | 0 | None | -1 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 332 | 3 | 1 | 4 | 4.0 | Cc1cc(Nc2ccc(N3CCN(C)CC3)cc2)c2ccccc2n1 | 10.1021/jm060262x | |||
| 9923679 | 81762 | 0 | None | -1 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 332 | 3 | 1 | 4 | 4.0 | Cc1cc(Nc2ccc(N3CCN(C)CC3)cc2)c2ccccc2n1 | 10.1016/j.ejmech.2010.12.026 | |||
| CHEMBL216399 | 81762 | 0 | None | -1 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 332 | 3 | 1 | 4 | 4.0 | Cc1cc(Nc2ccc(N3CCN(C)CC3)cc2)c2ccccc2n1 | 10.1016/j.ejmech.2010.12.026 | |||
| 11058166 | 204705 | 0 | None | -1 | 5 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 271 | 4 | 2 | 5 | 0.6 | CS(=O)(=O)c1cccc(F)c1NCC1=NCCN1 | 10.1021/jm000542r | |||
| CHEMBL74114 | 204705 | 0 | None | -1 | 5 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 271 | 4 | 2 | 5 | 0.6 | CS(=O)(=O)c1cccc(F)c1NCC1=NCCN1 | 10.1021/jm000542r | |||
| 24906241 | 192817 | 0 | None | -2 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 280 | 2 | 1 | 4 | 2.5 | c1ccc(-c2cccc3c2OC(C2=NCCN2)CO3)cc1 | 10.1021/jm800250z | |||
| CHEMBL522151 | 192817 | 0 | None | -2 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 280 | 2 | 1 | 4 | 2.5 | c1ccc(-c2cccc3c2OC(C2=NCCN2)CO3)cc1 | 10.1021/jm800250z | |||
| 71457691 | 83799 | 0 | None | -2 | 10 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 295 | 3 | 1 | 3 | 2.0 | COc1ccccc1CN1C2C3C4CC5C6C4C2C6C1(O)C53 | 10.1016/j.bmcl.2012.08.046 | |||
| CHEMBL2205823 | 83799 | 0 | None | -2 | 10 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 295 | 3 | 1 | 3 | 2.0 | COc1ccccc1CN1C2C3C4CC5C6C4C2C6C1(O)C53 | 10.1016/j.bmcl.2012.08.046 | |||
| 10045088 | 80588 | 0 | None | 407 | 2 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 376 | 4 | 2 | 5 | 3.9 | Cc1nc2ccccc2c(Nc2ccc(N3CCN(C)C(C)C3)cc2)c1CO | 10.1016/j.ejmech.2010.12.026 | |||
| CHEMBL214996 | 80588 | 0 | None | 407 | 2 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 376 | 4 | 2 | 5 | 3.9 | Cc1nc2ccccc2c(Nc2ccc(N3CCN(C)C(C)C3)cc2)c1CO | 10.1016/j.ejmech.2010.12.026 | |||
| 10045088 | 80588 | 0 | None | 407 | 2 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 376 | 4 | 2 | 5 | 3.9 | Cc1nc2ccccc2c(Nc2ccc(N3CCN(C)C(C)C3)cc2)c1CO | 10.1021/jm060262x | |||
| CHEMBL214996 | 80588 | 0 | None | 407 | 2 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 376 | 4 | 2 | 5 | 3.9 | Cc1nc2ccccc2c(Nc2ccc(N3CCN(C)C(C)C3)cc2)c1CO | 10.1021/jm060262x | |||
| 16090623 | 82454 | 0 | None | 77 | 3 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 388 | 3 | 1 | 4 | 5.4 | Cc1ccc2c(Nc3ccc(N4CCN(C)[C@H](C)C4)cc3)c(C)c(C)nc2c1C | 10.1016/j.ejmech.2010.12.026 | |||
| CHEMBL217567 | 82454 | 0 | None | 77 | 3 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 388 | 3 | 1 | 4 | 5.4 | Cc1ccc2c(Nc3ccc(N4CCN(C)[C@H](C)C4)cc3)c(C)c(C)nc2c1C | 10.1016/j.ejmech.2010.12.026 | |||
| 16090623 | 82454 | 0 | None | 77 | 3 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 388 | 3 | 1 | 4 | 5.4 | Cc1ccc2c(Nc3ccc(N4CCN(C)[C@H](C)C4)cc3)c(C)c(C)nc2c1C | 10.1021/jm060262x | |||
| CHEMBL217567 | 82454 | 0 | None | 77 | 3 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 388 | 3 | 1 | 4 | 5.4 | Cc1ccc2c(Nc3ccc(N4CCN(C)[C@H](C)C4)cc3)c(C)c(C)nc2c1C | 10.1021/jm060262x | |||
| 129211 | 3749 | 78 | None | -51 | 15 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | 10.1021/jm970364a | |||
| 2562 | 3749 | 78 | None | -51 | 15 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | 10.1021/jm970364a | |||
| 488 | 3749 | 78 | None | -51 | 15 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | 10.1021/jm970364a | |||
| CHEMBL836 | 3749 | 78 | None | -51 | 15 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | 10.1021/jm970364a | |||
| DB00706 | 3749 | 78 | None | -51 | 15 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | 10.1021/jm970364a | |||
| 49836301 | 18567 | 1 | None | -1 | 4 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 230 | 5 | 1 | 3 | 2.2 | C=CCc1ccccc1O[C@@H](C)C1=NCCN1 | 10.1021/ml400232p | |||
| CHEMBL1276140 | 18567 | 1 | None | -1 | 4 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 230 | 5 | 1 | 3 | 2.2 | C=CCc1ccccc1O[C@@H](C)C1=NCCN1 | 10.1021/ml400232p | |||
| 44269006 | 32353 | 1 | None | -1 | 4 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 216 | 5 | 1 | 3 | 1.8 | C=CCc1ccccc1OCC1=NCCN1 | 10.1021/ml400232p | |||
| CHEMBL14107 | 32353 | 1 | None | -1 | 4 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 216 | 5 | 1 | 3 | 1.8 | C=CCc1ccccc1OCC1=NCCN1 | 10.1021/ml400232p | |||
| 49836301 | 18567 | 1 | None | -1 | 4 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 230 | 5 | 1 | 3 | 2.2 | C=CCc1ccccc1O[C@@H](C)C1=NCCN1 | 10.1021/jm100977d | |||
| CHEMBL1276140 | 18567 | 1 | None | -1 | 4 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 230 | 5 | 1 | 3 | 2.2 | C=CCc1ccccc1O[C@@H](C)C1=NCCN1 | 10.1021/jm100977d | |||
| 49836301 | 18567 | 1 | None | -1 | 4 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 230 | 5 | 1 | 3 | 2.2 | C=CCc1ccccc1O[C@@H](C)C1=NCCN1 | 10.1021/ml300064v | |||
| CHEMBL1276140 | 18567 | 1 | None | -1 | 4 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 230 | 5 | 1 | 3 | 2.2 | C=CCc1ccccc1O[C@@H](C)C1=NCCN1 | 10.1021/ml300064v | |||
| 11140033 | 20683 | 0 | None | -7 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 265 | 4 | 2 | 3 | 3.2 | CC(Nc1ccccc1-c1ccccc1)C1=NCCN1 | 10.1021/jm0408215 | |||
| CHEMBL130884 | 20683 | 0 | None | -7 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 265 | 4 | 2 | 3 | 3.2 | CC(Nc1ccccc1-c1ccccc1)C1=NCCN1 | 10.1021/jm0408215 | |||
| 11199593 | 137199 | 0 | None | -2 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 282 | 4 | 1 | 3 | 3.8 | CC(Sc1ccccc1-c1ccccc1)C1=NCCN1 | 10.1021/jm0408215 | |||
| CHEMBL374954 | 137199 | 0 | None | -2 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 282 | 4 | 1 | 3 | 3.8 | CC(Sc1ccccc1-c1ccccc1)C1=NCCN1 | 10.1021/jm0408215 | |||
| 5318 | 15576 | 49 | None | -1 | 13 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 396 | 6 | 0 | 3 | 6.5 | Clc1ccc(CSC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1 | nan | |||
| CHEMBL1200348 | 15576 | 49 | None | -1 | 13 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 396 | 6 | 0 | 3 | 6.5 | Clc1ccc(CSC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1 | nan | |||
| CHEMBL1221 | 15576 | 49 | None | -1 | 13 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 396 | 6 | 0 | 3 | 6.5 | Clc1ccc(CSC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1 | nan | |||
| 44424855 | 85454 | 0 | None | 1 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 467 | 7 | 0 | 7 | 3.3 | COc1cc2c(cc1OC)C1=NOC(CN3CCN(C/C=C/c4ccc(F)cc4)CC3)C1CO2 | 10.1016/j.bmc.2007.03.053 | |||
| CHEMBL226636 | 85454 | 0 | None | 1 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 467 | 7 | 0 | 7 | 3.3 | COc1cc2c(cc1OC)C1=NOC(CN3CCN(C/C=C/c4ccc(F)cc4)CC3)C1CO2 | 10.1016/j.bmc.2007.03.053 | |||
| 13178306 | 121709 | 2 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 187 | 3 | 2 | 2 | 2.3 | Cc1ccccc1NCc1cnc[nH]1 | 10.1016/j.bmc.2015.01.013 | |||
| CHEMBL3588902 | 121709 | 2 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 187 | 3 | 2 | 2 | 2.3 | Cc1ccccc1NCc1cnc[nH]1 | 10.1016/j.bmc.2015.01.013 | |||
| 11360447 | 85001 | 0 | None | -4 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 272 | 4 | 1 | 4 | 3.2 | CC(Oc1ccccc1-c1cccs1)C1=NCCN1 | 10.1021/jm0408215 | |||
| CHEMBL223829 | 85001 | 0 | None | -4 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 272 | 4 | 1 | 4 | 3.2 | CC(Oc1ccccc1-c1cccs1)C1=NCCN1 | 10.1021/jm0408215 | |||
| 10651080 | 105942 | 0 | None | -83 | 6 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 592 | 9 | 3 | 6 | 4.7 | CC1=C(C(N)=O)C(c2ccc3c(c2)OCO3)C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)=C(C)N1 | 10.1021/jm980077m | |||
| CHEMBL312871 | 105942 | 0 | None | -83 | 6 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 592 | 9 | 3 | 6 | 4.7 | CC1=C(C(N)=O)C(c2ccc3c(c2)OCO3)C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)=C(C)N1 | 10.1021/jm980077m | |||
| 46743614 | 121713 | 0 | None | - | 1 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 317 | 4 | 1 | 3 | 2.7 | CCNCC(=O)N1CCn2cccc2C1c1cccc(Cl)c1 | 10.1016/j.bmc.2015.01.013 | |||
| CHEMBL3588906 | 121713 | 0 | None | - | 1 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 317 | 4 | 1 | 3 | 2.7 | CCNCC(=O)N1CCn2cccc2C1c1cccc(Cl)c1 | 10.1016/j.bmc.2015.01.013 | |||
| 44401164 | 69816 | 0 | None | -309 | 9 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 329 | 2 | 0 | 3 | 4.5 | CN(C)C[C@H]1CC2c3ccccc3Sc3ccc(F)cc3[C@H]2O1 | 10.1021/jm049632c | |||
| CHEMBL193639 | 69816 | 0 | None | -309 | 9 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 329 | 2 | 0 | 3 | 4.5 | CN(C)C[C@H]1CC2c3ccccc3Sc3ccc(F)cc3[C@H]2O1 | 10.1021/jm049632c | |||
| CHEMBL508338 | 188966 | 0 | None | -25 | 6 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | None | None | None | None | nan | |||||
| 490 | 191 | 8 | None | -371 | 12 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 462 | 6 | 1 | 7 | 3.2 | COc1ccccc1N1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)c(cs2)c1ccccc1 | 10.1016/s0960-894x(01)00159-7 | |||
| 9890547 | 191 | 8 | None | -371 | 12 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 462 | 6 | 1 | 7 | 3.2 | COc1ccccc1N1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)c(cs2)c1ccccc1 | 10.1016/s0960-894x(01)00159-7 | |||
| CHEMBL268758 | 191 | 8 | None | -371 | 12 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 462 | 6 | 1 | 7 | 3.2 | COc1ccccc1N1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)c(cs2)c1ccccc1 | 10.1016/s0960-894x(01)00159-7 | |||
| 57395731 | 71190 | 0 | None | -7 | 3 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 232 | 4 | 1 | 4 | 1.7 | CC(=O)c1ccccc1OC(C)C1=NCCN1 | 10.1016/j.bmc.2012.01.035 | |||
| CHEMBL1956202 | 71190 | 0 | None | -7 | 3 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 232 | 4 | 1 | 4 | 1.7 | CC(=O)c1ccccc1OC(C)C1=NCCN1 | 10.1016/j.bmc.2012.01.035 | |||
| 57403508 | 71252 | 0 | None | -2 | 2 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 308 | 3 | 1 | 4 | 2.3 | c1ccc(C2(c3ccccc3)COC(C3=NCCN3)CO2)cc1 | 10.1016/j.bmc.2012.02.016 | |||
| CHEMBL1956905 | 71252 | 0 | None | -2 | 2 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 308 | 3 | 1 | 4 | 2.3 | c1ccc(C2(c3ccccc3)COC(C3=NCCN3)CO2)cc1 | 10.1016/j.bmc.2012.02.016 | |||
| 44401105 | 69576 | 0 | None | -83 | 9 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 373 | 2 | 0 | 3 | 4.7 | CN(C)C[C@H]1CC2c3ccccc3Oc3ccc(Br)cc3[C@H]2O1 | 10.1021/jm049632c | |||
| CHEMBL193435 | 69576 | 0 | None | -83 | 9 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 373 | 2 | 0 | 3 | 4.7 | CN(C)C[C@H]1CC2c3ccccc3Oc3ccc(Br)cc3[C@H]2O1 | 10.1021/jm049632c | |||
| 57399145 | 71184 | 0 | None | -7 | 3 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 234 | 5 | 1 | 4 | 1.9 | CCOc1ccccc1OC(C)C1=NCCN1 | 10.1016/j.bmc.2012.01.035 | |||
| CHEMBL1956196 | 71184 | 0 | None | -7 | 3 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 234 | 5 | 1 | 4 | 1.9 | CCOc1ccccc1OC(C)C1=NCCN1 | 10.1016/j.bmc.2012.01.035 | |||
| 31101 | 729 | 40 | None | -36 | 36 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 653 | 5 | 3 | 6 | 3.2 | CC(C[C@H]1C(=O)N2CCC[C@H]2[C@]2(N1C(=O)[C@@](O2)(NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c([nH]3)Br)C(C)C)O)C | nan | |||
| 35 | 729 | 40 | None | -36 | 36 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 653 | 5 | 3 | 6 | 3.2 | CC(C[C@H]1C(=O)N2CCC[C@H]2[C@]2(N1C(=O)[C@@](O2)(NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c([nH]3)Br)C(C)C)O)C | nan | |||
| 403 | 729 | 40 | None | -36 | 36 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 653 | 5 | 3 | 6 | 3.2 | CC(C[C@H]1C(=O)N2CCC[C@H]2[C@]2(N1C(=O)[C@@](O2)(NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c([nH]3)Br)C(C)C)O)C | nan | |||
| CHEMBL493 | 729 | 40 | None | -36 | 36 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 653 | 5 | 3 | 6 | 3.2 | CC(C[C@H]1C(=O)N2CCC[C@H]2[C@]2(N1C(=O)[C@@](O2)(NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c([nH]3)Br)C(C)C)O)C | nan | |||
| DB01200 | 729 | 40 | None | -36 | 36 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 653 | 5 | 3 | 6 | 3.2 | CC(C[C@H]1C(=O)N2CCC[C@H]2[C@]2(N1C(=O)[C@@](O2)(NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c([nH]3)Br)C(C)C)O)C | nan | |||
| 16090624 | 82401 | 0 | None | 13 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 374 | 3 | 1 | 4 | 5.0 | Cc1ccc2c(Nc3ccc(N4CCN(C)[C@@H](C)C4)cc3)c(C)c(C)nc2c1 | 10.1021/jm060262x | |||
| CHEMBL217278 | 82401 | 0 | None | 13 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 374 | 3 | 1 | 4 | 5.0 | Cc1ccc2c(Nc3ccc(N4CCN(C)[C@@H](C)C4)cc3)c(C)c(C)nc2c1 | 10.1021/jm060262x | |||
| 16090624 | 82401 | 0 | None | 13 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 374 | 3 | 1 | 4 | 5.0 | Cc1ccc2c(Nc3ccc(N4CCN(C)[C@@H](C)C4)cc3)c(C)c(C)nc2c1 | 10.1016/j.ejmech.2010.12.026 | |||
| CHEMBL217278 | 82401 | 0 | None | 13 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 374 | 3 | 1 | 4 | 5.0 | Cc1ccc2c(Nc3ccc(N4CCN(C)[C@@H](C)C4)cc3)c(C)c(C)nc2c1 | 10.1016/j.ejmech.2010.12.026 | |||
| 1836 | 2592 | 59 | None | -31 | 15 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 585 | 12 | 2 | 4 | 8.9 | OC(=O)CC1(CS[C@@H](c2cccc(c2)/C=C/c2ccc3c(n2)cc(cc3)Cl)CCc2ccccc2C(O)(C)C)CC1 | nan | |||
| 3340 | 2592 | 59 | None | -31 | 15 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 585 | 12 | 2 | 4 | 8.9 | OC(=O)CC1(CS[C@@H](c2cccc(c2)/C=C/c2ccc3c(n2)cc(cc3)Cl)CCc2ccccc2C(O)(C)C)CC1 | nan | |||
| 5281040 | 2592 | 59 | None | -31 | 15 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 585 | 12 | 2 | 4 | 8.9 | OC(=O)CC1(CS[C@@H](c2cccc(c2)/C=C/c2ccc3c(n2)cc(cc3)Cl)CCc2ccccc2C(O)(C)C)CC1 | nan | |||
| CHEMBL787 | 2592 | 59 | None | -31 | 15 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 585 | 12 | 2 | 4 | 8.9 | OC(=O)CC1(CS[C@@H](c2cccc(c2)/C=C/c2ccc3c(n2)cc(cc3)Cl)CCc2ccccc2C(O)(C)C)CC1 | nan | |||
| DB00471 | 2592 | 59 | None | -31 | 15 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 585 | 12 | 2 | 4 | 8.9 | OC(=O)CC1(CS[C@@H](c2cccc(c2)/C=C/c2ccc3c(n2)cc(cc3)Cl)CCc2ccccc2C(O)(C)C)CC1 | nan | |||
| 16090634 | 82294 | 0 | None | 4 | 2 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 296 | 3 | 1 | 4 | 3.2 | Cc1cncc(C)c1Nc1ccc(N2CCN(C)CC2)cc1 | 10.1016/j.ejmech.2010.12.026 | |||
| CHEMBL217180 | 82294 | 0 | None | 4 | 2 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 296 | 3 | 1 | 4 | 3.2 | Cc1cncc(C)c1Nc1ccc(N2CCN(C)CC2)cc1 | 10.1016/j.ejmech.2010.12.026 | |||
| 135398745 | 2914 | 112 | None | -30 | 65 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | nan | |||
| 47 | 2914 | 112 | None | -30 | 65 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | nan | |||
| CHEMBL715 | 2914 | 112 | None | -30 | 65 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | nan | |||
| DB00334 | 2914 | 112 | None | -30 | 65 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | nan | |||
| 25053351 | 173005 | 0 | None | -371 | 4 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 455 | 4 | 1 | 3 | 5.0 | CN[C@@H](C(=O)N(C)[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@]24CN(C)[C@@H](C)[C@H]2CC[C@@H]34)C1)C(C)C | 10.1021/jm8003625 | |||
| CHEMBL451821 | 173005 | 0 | None | -371 | 4 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 455 | 4 | 1 | 3 | 5.0 | CN[C@@H](C(=O)N(C)[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@]24CN(C)[C@@H](C)[C@H]2CC[C@@H]34)C1)C(C)C | 10.1021/jm8003625 | |||
| 23622576 | 172772 | 0 | None | -1 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 272 | 4 | 1 | 3 | 3.5 | CC(Oc1ccccc1C1CCCCC1)C1=NCCN1 | 10.1021/jm800250z | |||
| CHEMBL451229 | 172772 | 0 | None | -1 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 272 | 4 | 1 | 3 | 3.5 | CC(Oc1ccccc1C1CCCCC1)C1=NCCN1 | 10.1021/jm800250z | |||
| 73213195 | 104459 | 0 | None | -26 | 12 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 288 | 0 | 0 | 2 | 3.6 | CN1CCc2c(c3cccc4c3n2Cc2ccccc2C4)C1 | 10.1016/j.bmcl.2013.12.024 | |||
| CHEMBL3104092 | 104459 | 0 | None | -26 | 12 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 288 | 0 | 0 | 2 | 3.6 | CN1CCc2c(c3cccc4c3n2Cc2ccccc2C4)C1 | 10.1016/j.bmcl.2013.12.024 | |||
| 16090599 | 81545 | 0 | None | 1 | 2 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 360 | 3 | 1 | 4 | 5.0 | Cc1nc2c(C)cccc2c(Nc2ccc(N3CCCN(C)C3)cc2)c1C | 10.1021/jm060262x | |||
| CHEMBL216072 | 81545 | 0 | None | 1 | 2 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 360 | 3 | 1 | 4 | 5.0 | Cc1nc2c(C)cccc2c(Nc2ccc(N3CCCN(C)C3)cc2)c1C | 10.1021/jm060262x | |||
| 10579368 | 106004 | 0 | None | -3 | 6 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 593 | 9 | 3 | 6 | 5.3 | CC1=C(C(=O)O)C(c2ccc3c(c2)OCO3)C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)=C(C)N1 | 10.1021/jm980077m | |||
| CHEMBL313251 | 106004 | 0 | None | -3 | 6 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 593 | 9 | 3 | 6 | 5.3 | CC1=C(C(=O)O)C(c2ccc3c(c2)OCO3)C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)=C(C)N1 | 10.1021/jm980077m | |||
| 73213195 | 104459 | 0 | None | -26 | 12 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 288 | 0 | 0 | 2 | 3.6 | CN1CCc2c(c3cccc4c3n2Cc2ccccc2C4)C1 | 10.1016/j.bmcl.2013.12.024 | |||
| CHEMBL3104092 | 104459 | 0 | None | -26 | 12 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 288 | 0 | 0 | 2 | 3.6 | CN1CCc2c(c3cccc4c3n2Cc2ccccc2C4)C1 | 10.1016/j.bmcl.2013.12.024 | |||
| 3584 | 3777 | 64 | None | -50 | 13 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1021/jm970364a | |||
| 5401 | 3777 | 64 | None | -50 | 13 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1021/jm970364a | |||
| 7302 | 3777 | 64 | None | -50 | 13 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1021/jm970364a | |||
| CHEMBL611 | 3777 | 64 | None | -50 | 13 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1021/jm970364a | |||
| DB01162 | 3777 | 64 | None | -50 | 13 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1021/jm970364a | |||
| 44401106 | 124327 | 0 | None | -120 | 9 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 329 | 2 | 0 | 3 | 4.5 | CN(C)C[C@@H]1CC2c3ccccc3Sc3ccc(F)cc3[C@H]2O1 | 10.1021/jm049632c | |||
| CHEMBL363581 | 124327 | 0 | None | -120 | 9 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 329 | 2 | 0 | 3 | 4.5 | CN(C)C[C@@H]1CC2c3ccccc3Sc3ccc(F)cc3[C@H]2O1 | 10.1021/jm049632c | |||
| 44549156 | 18570 | 0 | None | -10 | 4 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 230 | 4 | 1 | 3 | 2.3 | CC(Oc1ccccc1C1CC1)C1=NCCN1 | 10.1021/ml400232p | |||
| CHEMBL1276218 | 18570 | 0 | None | -10 | 4 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 230 | 4 | 1 | 3 | 2.3 | CC(Oc1ccccc1C1CC1)C1=NCCN1 | 10.1021/ml400232p | |||
| 45487956 | 198367 | 0 | None | -3 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 230 | 3 | 1 | 3 | 2.6 | CC(OC1=NCCN1)c1ccccc1C1CC1 | 10.1021/jm901262f | |||
| CHEMBL576623 | 198367 | 0 | None | -3 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 230 | 3 | 1 | 3 | 2.6 | CC(OC1=NCCN1)c1ccccc1C1CC1 | 10.1021/jm901262f | |||
| 44549156 | 18570 | 0 | None | -10 | 4 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 230 | 4 | 1 | 3 | 2.3 | CC(Oc1ccccc1C1CC1)C1=NCCN1 | 10.1021/jm100977d | |||
| CHEMBL1276218 | 18570 | 0 | None | -10 | 4 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 230 | 4 | 1 | 3 | 2.3 | CC(Oc1ccccc1C1CC1)C1=NCCN1 | 10.1021/jm100977d | |||
| 44292385 | 101121 | 0 | None | -5 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 270 | 3 | 1 | 3 | 2.6 | c1ccc(C[C@H]2C3CCC(C3)[C@H]2NC2=NCCO2)cc1 | 10.1021/jm9905256 | |||
| CHEMBL295186 | 101121 | 0 | None | -5 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 270 | 3 | 1 | 3 | 2.6 | c1ccc(C[C@H]2C3CCC(C3)[C@H]2NC2=NCCO2)cc1 | 10.1021/jm9905256 | |||
| 11080 | 29085 | 79 | None | -3 | 6 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 185 | 1 | 0 | 2 | 3.6 | S=C=Nc1cccc2ccccc12 | nan | |||
| CHEMBL1381098 | 29085 | 79 | None | -3 | 6 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 185 | 1 | 0 | 2 | 3.6 | S=C=Nc1cccc2ccccc12 | nan | |||
| 72947315 | 92489 | 0 | None | -10 | 4 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 232 | 5 | 1 | 4 | 1.6 | c1ccc(OC2CC2)c(OCC2=NCCN2)c1 | 10.1021/ml400232p | |||
| CHEMBL2431280 | 92489 | 0 | None | -10 | 4 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 232 | 5 | 1 | 4 | 1.6 | c1ccc(OC2CC2)c(OCC2=NCCN2)c1 | 10.1021/ml400232p | |||
| 127026052 | 137553 | 0 | None | -47 | 19 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 258 | 7 | 1 | 1 | 3.5 | C=CCN(CC=C)CCc1c[nH]c2ccc(F)cc12 | 10.1016/j.bmcl.2015.12.053 | |||
| CHEMBL3754496 | 137553 | 0 | None | -47 | 19 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 258 | 7 | 1 | 1 | 3.5 | C=CCN(CC=C)CCc1c[nH]c2ccc(F)cc12 | 10.1016/j.bmcl.2015.12.053 | |||
| 44456400 | 12834 | 0 | None | -3 | 10 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 181 | 0 | 2 | 3 | 1.4 | NC1=Nc2ccc(Cl)cc2CN1 | 10.1016/j.bmcl.2013.08.072 | |||
| CHEMBL1188501 | 12834 | 0 | None | -3 | 10 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 181 | 0 | 2 | 3 | 1.4 | NC1=Nc2ccc(Cl)cc2CN1 | 10.1016/j.bmcl.2013.08.072 | |||
| CHEMBL2436555 | 12834 | 0 | None | -3 | 10 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 181 | 0 | 2 | 3 | 1.4 | NC1=Nc2ccc(Cl)cc2CN1 | 10.1016/j.bmcl.2013.08.072 | |||
| CHEMBL536539 | 12834 | 0 | None | -3 | 10 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 181 | 0 | 2 | 3 | 1.4 | NC1=Nc2ccc(Cl)cc2CN1 | 10.1016/j.bmcl.2013.08.072 | |||
| 11750482 | 147421 | 0 | None | 19 | 3 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 419 | 6 | 0 | 6 | 5.3 | COc1cc2c(cc1OC)CN(Cc1ccc(OC)c3oc(-c4ccco4)cc13)CC2 | 10.1016/j.bmcl.2006.12.094 | |||
| CHEMBL392991 | 147421 | 0 | None | 19 | 3 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 419 | 6 | 0 | 6 | 5.3 | COc1cc2c(cc1OC)CN(Cc1ccc(OC)c3oc(-c4ccco4)cc13)CC2 | 10.1016/j.bmcl.2006.12.094 | |||
| 44402579 | 132754 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 411 | 3 | 3 | 5 | 1.8 | COC(=O)CNC(=O)[C@@H]1C2C[C@H]3c4[nH]c5ccccc5c4CCN3C[C@@H]2CC[C@@H]1O | 10.1016/j.bmcl.2005.03.116 | |||
| CHEMBL370005 | 132754 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 411 | 3 | 3 | 5 | 1.8 | COC(=O)CNC(=O)[C@@H]1C2C[C@H]3c4[nH]c5ccccc5c4CCN3C[C@@H]2CC[C@@H]1O | 10.1016/j.bmcl.2005.03.116 | |||
| 10318507 | 58953 | 0 | None | 104 | 3 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 394 | 3 | 1 | 4 | 5.4 | Cc1nc2cc(Cl)ccc2c(Nc2ccc(N3CCN(C)C(C)C3)cc2)c1C | 10.1016/j.ejmech.2010.12.026 | |||
| CHEMBL1689423 | 58953 | 0 | None | 104 | 3 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 394 | 3 | 1 | 4 | 5.4 | Cc1nc2cc(Cl)ccc2c(Nc2ccc(N3CCN(C)C(C)C3)cc2)c1C | 10.1016/j.ejmech.2010.12.026 | |||
| 16090595 | 141401 | 0 | None | 109 | 3 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 374 | 3 | 1 | 4 | 5.0 | Cc1ccc2c(Nc3ccc(N4CCN(C)[C@H](C)C4)cc3)c(C)c(C)nc2c1 | 10.1016/j.ejmech.2010.12.026 | |||
| CHEMBL383978 | 141401 | 0 | None | 109 | 3 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 374 | 3 | 1 | 4 | 5.0 | Cc1ccc2c(Nc3ccc(N4CCN(C)[C@H](C)C4)cc3)c(C)c(C)nc2c1 | 10.1016/j.ejmech.2010.12.026 | |||
| 10318507 | 58953 | 0 | None | 104 | 3 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 394 | 3 | 1 | 4 | 5.4 | Cc1nc2cc(Cl)ccc2c(Nc2ccc(N3CCN(C)C(C)C3)cc2)c1C | 10.1021/jm060262x | |||
| CHEMBL1689423 | 58953 | 0 | None | 104 | 3 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 394 | 3 | 1 | 4 | 5.4 | Cc1nc2cc(Cl)ccc2c(Nc2ccc(N3CCN(C)C(C)C3)cc2)c1C | 10.1021/jm060262x | |||
| 16090595 | 141401 | 0 | None | 109 | 3 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 374 | 3 | 1 | 4 | 5.0 | Cc1ccc2c(Nc3ccc(N4CCN(C)[C@H](C)C4)cc3)c(C)c(C)nc2c1 | 10.1021/jm060262x | |||
| CHEMBL383978 | 141401 | 0 | None | 109 | 3 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 374 | 3 | 1 | 4 | 5.0 | Cc1ccc2c(Nc3ccc(N4CCN(C)[C@H](C)C4)cc3)c(C)c(C)nc2c1 | 10.1021/jm060262x | |||
| 136019934 | 144530 | 0 | None | 7 | 3 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 462 | 7 | 1 | 7 | 3.6 | COc1cc2c(cc1OC)C1=NOC(CN3CCN(C/C(C)=C/c4ccccc4)CC3)C1CN2 | 10.1016/j.bmc.2007.03.053 | |||
| CHEMBL390718 | 144530 | 0 | None | 7 | 3 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 462 | 7 | 1 | 7 | 3.6 | COc1cc2c(cc1OC)C1=NOC(CN3CCN(C/C(C)=C/c4ccccc4)CC3)C1CN2 | 10.1016/j.bmc.2007.03.053 | |||
| 2142 | 3096 | 58 | None | -7 | 36 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | 10.1021/jm00018a001 | |||
| 4920903 | 3096 | 58 | None | -7 | 36 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | 10.1021/jm00018a001 | |||
| 502 | 3096 | 58 | None | -7 | 36 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | 10.1021/jm00018a001 | |||
| 5775 | 3096 | 58 | None | -7 | 36 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | 10.1021/jm00018a001 | |||
| CHEMBL597 | 3096 | 58 | None | -7 | 36 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | 10.1021/jm00018a001 | |||
| DB00692 | 3096 | 58 | None | -7 | 36 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | 10.1021/jm00018a001 | |||
| 16090622 | 82298 | 0 | None | 165 | 3 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 346 | 3 | 1 | 4 | 4.4 | Cc1cnc2ccccc2c1Nc1ccc(N2CCN(C)C(C)C2)cc1 | 10.1016/j.ejmech.2010.12.026 | |||
| CHEMBL217202 | 82298 | 0 | None | 165 | 3 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 346 | 3 | 1 | 4 | 4.4 | Cc1cnc2ccccc2c1Nc1ccc(N2CCN(C)C(C)C2)cc1 | 10.1016/j.ejmech.2010.12.026 | |||
| 16090628 | 141787 | 0 | None | 309 | 3 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 388 | 4 | 1 | 4 | 5.3 | CCc1c(C)nc2c(C)cccc2c1Nc1ccc(N2CCCN(C)CC2)cc1 | 10.1016/j.ejmech.2010.12.026 | |||
| CHEMBL386169 | 141787 | 0 | None | 309 | 3 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 388 | 4 | 1 | 4 | 5.3 | CCc1c(C)nc2c(C)cccc2c1Nc1ccc(N2CCCN(C)CC2)cc1 | 10.1016/j.ejmech.2010.12.026 | |||
| 16090622 | 82298 | 0 | None | 165 | 3 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 346 | 3 | 1 | 4 | 4.4 | Cc1cnc2ccccc2c1Nc1ccc(N2CCN(C)C(C)C2)cc1 | 10.1021/jm060262x | |||
| CHEMBL217202 | 82298 | 0 | None | 165 | 3 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 346 | 3 | 1 | 4 | 4.4 | Cc1cnc2ccccc2c1Nc1ccc(N2CCN(C)C(C)C2)cc1 | 10.1021/jm060262x | |||
| 16090628 | 141787 | 0 | None | 309 | 3 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 388 | 4 | 1 | 4 | 5.3 | CCc1c(C)nc2c(C)cccc2c1Nc1ccc(N2CCCN(C)CC2)cc1 | 10.1021/jm060262x | |||
| CHEMBL386169 | 141787 | 0 | None | 309 | 3 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 388 | 4 | 1 | 4 | 5.3 | CCc1c(C)nc2c(C)cccc2c1Nc1ccc(N2CCCN(C)CC2)cc1 | 10.1021/jm060262x | |||
| 44402477 | 133749 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 718 | 6 | 6 | 6 | 4.6 | O=C(NCCCNC(=O)[C@@H]1C2C[C@H]3c4[nH]c5ccccc5c4CCN3C[C@@H]2CC[C@@H]1O)[C@@H]1[C@H](O)CC[C@@H]2CN3CCc4c([nH]c5ccccc45)[C@H]3C[C@H]21 | 10.1016/j.bmcl.2005.03.116 | |||
| CHEMBL371516 | 133749 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 718 | 6 | 6 | 6 | 4.6 | O=C(NCCCNC(=O)[C@@H]1C2C[C@H]3c4[nH]c5ccccc5c4CCN3C[C@@H]2CC[C@@H]1O)[C@@H]1[C@H](O)CC[C@@H]2CN3CCc4c([nH]c5ccccc45)[C@H]3C[C@H]21 | 10.1016/j.bmcl.2005.03.116 | |||
| 180 | 401 | 56 | None | -16 | 40 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | nan | |||
| 200 | 401 | 56 | None | -16 | 40 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | nan | |||
| 2160 | 401 | 56 | None | -16 | 40 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | nan | |||
| CHEMBL629 | 401 | 56 | None | -16 | 40 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | nan | |||
| DB00321 | 401 | 56 | None | -16 | 40 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | nan | |||
| 9837551 | 101624 | 0 | None | -7 | 3 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 232 | 1 | 3 | 5 | 1.2 | Cc1c(NC2=NCCN2)ccc2c1NCCO2 | 10.1021/jm960359r | |||
| CHEMBL298936 | 101624 | 0 | None | -7 | 3 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 232 | 1 | 3 | 5 | 1.2 | Cc1c(NC2=NCCN2)ccc2c1NCCO2 | 10.1021/jm960359r | |||
| 16090601 | 82392 | 0 | None | 199 | 3 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 376 | 4 | 2 | 5 | 3.9 | Cc1c(CO)nc2ccccc2c1Nc1ccc(N2CCN(C)[C@H](C)C2)cc1 | 10.1016/j.ejmech.2010.12.026 | |||
| CHEMBL217254 | 82392 | 0 | None | 199 | 3 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 376 | 4 | 2 | 5 | 3.9 | Cc1c(CO)nc2ccccc2c1Nc1ccc(N2CCN(C)[C@H](C)C2)cc1 | 10.1016/j.ejmech.2010.12.026 | |||
| 10065083 | 32103 | 1 | None | -12 | 10 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 328 | 6 | 0 | 5 | 2.4 | O=C(CCCN1CCN(c2ncccn2)CC1)c1ccc(F)cc1 | 10.1016/j.bmc.2011.12.019 | |||
| CHEMBL140872 | 32103 | 1 | None | -12 | 10 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 328 | 6 | 0 | 5 | 2.4 | O=C(CCCN1CCN(c2ncccn2)CC1)c1ccc(F)cc1 | 10.1016/j.bmc.2011.12.019 | |||
| 2142 | 3096 | 58 | None | -7 | 36 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | 10.1016/j.bmcl.2005.07.083 | |||
| 4920903 | 3096 | 58 | None | -7 | 36 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | 10.1016/j.bmcl.2005.07.083 | |||
| 502 | 3096 | 58 | None | -7 | 36 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | 10.1016/j.bmcl.2005.07.083 | |||
| 5775 | 3096 | 58 | None | -7 | 36 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | 10.1016/j.bmcl.2005.07.083 | |||
| CHEMBL597 | 3096 | 58 | None | -7 | 36 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | 10.1016/j.bmcl.2005.07.083 | |||
| DB00692 | 3096 | 58 | None | -7 | 36 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | 10.1016/j.bmcl.2005.07.083 | |||
| 9828476 | 206924 | 0 | None | -354 | 6 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 532 | 9 | 2 | 7 | 5.2 | CO/C(O)=C1\C(C)=NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1 | 10.1021/jm980077m | |||
| CHEMBL91022 | 206924 | 0 | None | -354 | 6 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 532 | 9 | 2 | 7 | 5.2 | CO/C(O)=C1\C(C)=NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1 | 10.1021/jm980077m | |||
| 5280953 | 97362 | 109 | None | 1 | 8 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 212 | 1 | 1 | 2 | 3.0 | COc1ccc2c(c1)[nH]c1c(C)nccc12 | 10.1016/j.bmcl.2003.09.027 | |||
| CHEMBL269538 | 97362 | 109 | None | 1 | 8 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 212 | 1 | 1 | 2 | 3.0 | COc1ccc2c(c1)[nH]c1c(C)nccc12 | 10.1016/j.bmcl.2003.09.027 | |||
| 10508132 | 107017 | 0 | None | -13 | 6 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 621 | 10 | 2 | 6 | 5.5 | CC1=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)N(C)C)=C(C)N1 | 10.1021/jm980077m | |||
| CHEMBL315392 | 107017 | 0 | None | -13 | 6 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 621 | 10 | 2 | 6 | 5.5 | CC1=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)N(C)C)=C(C)N1 | 10.1021/jm980077m | |||
| 491 | 192 | 9 | None | -512 | 12 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 476 | 6 | 1 | 7 | 3.6 | COc1ccccc1N1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)c(cs2)c1cccc(c1)C | 10.1016/s0960-894x(01)00159-7 | |||
| 9891167 | 192 | 9 | None | -512 | 12 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 476 | 6 | 1 | 7 | 3.6 | COc1ccccc1N1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)c(cs2)c1cccc(c1)C | 10.1016/s0960-894x(01)00159-7 | |||
| CHEMBL13856 | 192 | 9 | None | -512 | 12 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 476 | 6 | 1 | 7 | 3.6 | COc1ccccc1N1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)c(cs2)c1cccc(c1)C | 10.1016/s0960-894x(01)00159-7 | |||
| 16090627 | 81567 | 0 | None | 10 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 390 | 9 | 2 | 4 | 5.9 | CCc1c(C)nc2c(C)cccc2c1Nc1ccc(NCCN(CC)CC)cc1 | 10.1021/jm060262x | |||
| CHEMBL216197 | 81567 | 0 | None | 10 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 390 | 9 | 2 | 4 | 5.9 | CCc1c(C)nc2c(C)cccc2c1Nc1ccc(NCCN(CC)CC)cc1 | 10.1021/jm060262x | |||
| 135398745 | 2914 | 112 | None | -30 | 65 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | 10.1021/jm049632c | |||
| 47 | 2914 | 112 | None | -30 | 65 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | 10.1021/jm049632c | |||
| CHEMBL715 | 2914 | 112 | None | -30 | 65 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | 10.1021/jm049632c | |||
| DB00334 | 2914 | 112 | None | -30 | 65 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | 10.1021/jm049632c | |||
| 16090627 | 81567 | 0 | None | 10 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 390 | 9 | 2 | 4 | 5.9 | CCc1c(C)nc2c(C)cccc2c1Nc1ccc(NCCN(CC)CC)cc1 | 10.1016/j.ejmech.2010.12.026 | |||
| CHEMBL216197 | 81567 | 0 | None | 10 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 390 | 9 | 2 | 4 | 5.9 | CCc1c(C)nc2c(C)cccc2c1Nc1ccc(NCCN(CC)CC)cc1 | 10.1016/j.ejmech.2010.12.026 | |||
| 2435 | 722 | 100 | None | -33 | 12 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | 10.1016/0960-894X(95)00391-6 | |||
| 395 | 722 | 100 | None | -33 | 12 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | 10.1016/0960-894X(95)00391-6 | |||
| 520 | 722 | 100 | None | -33 | 12 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | 10.1016/0960-894X(95)00391-6 | |||
| 5386 | 722 | 100 | None | -33 | 12 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | 10.1016/0960-894X(95)00391-6 | |||
| CHEMBL844 | 722 | 100 | None | -33 | 12 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | 10.1016/0960-894X(95)00391-6 | |||
| DB00484 | 722 | 100 | None | -33 | 12 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | 10.1016/0960-894X(95)00391-6 | |||
| 1242 | 3613 | 27 | None | -4 | 18 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 255 | 1 | 3 | 3 | 2.4 | Oc1cc2CCNCC(c2cc1O)c1ccccc1 | 10.1016/j.bmc.2015.01.013 | |||
| 935 | 3613 | 27 | None | -4 | 18 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 255 | 1 | 3 | 3 | 2.4 | Oc1cc2CCNCC(c2cc1O)c1ccccc1 | 10.1016/j.bmc.2015.01.013 | |||
| CHEMBL286080 | 3613 | 27 | None | -4 | 18 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 255 | 1 | 3 | 3 | 2.4 | Oc1cc2CCNCC(c2cc1O)c1ccccc1 | 10.1016/j.bmc.2015.01.013 | |||
| 16090594 | 82125 | 0 | None | 10 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 388 | 3 | 1 | 4 | 5.4 | Cc1ccc2c(Nc3ccc(N4CCN(C)[C@@H](C)C4)cc3)c(C)c(C)nc2c1C | 10.1016/j.ejmech.2010.12.026 | |||
| CHEMBL216674 | 82125 | 0 | None | 10 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 388 | 3 | 1 | 4 | 5.4 | Cc1ccc2c(Nc3ccc(N4CCN(C)[C@@H](C)C4)cc3)c(C)c(C)nc2c1C | 10.1016/j.ejmech.2010.12.026 | |||
| 24841480 | 183899 | 0 | None | -416 | 20 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 340 | 3 | 0 | 4 | 4.5 | O=C(OCCN1CCCC1)N1c2ccccc2Sc2ccccc21 | 10.1016/j.bmcl.2013.04.082 | |||
| CHEMBL481153 | 183899 | 0 | None | -416 | 20 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 340 | 3 | 0 | 4 | 4.5 | O=C(OCCN1CCCC1)N1c2ccccc2Sc2ccccc21 | 10.1016/j.bmcl.2013.04.082 | |||
| 57402717 | 71187 | 2 | None | -14 | 3 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 220 | 4 | 1 | 4 | 1.5 | COc1ccccc1OC(C)C1=NCCN1 | 10.1016/j.bmc.2012.01.035 | |||
| CHEMBL1956199 | 71187 | 2 | None | -14 | 3 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 220 | 4 | 1 | 4 | 1.5 | COc1ccccc1OC(C)C1=NCCN1 | 10.1016/j.bmc.2012.01.035 | |||
| 24906201 | 187353 | 0 | None | -1 | 3 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 280 | 2 | 1 | 4 | 2.5 | c1ccc(-c2cccc3c2OCC(C2=NCCN2)O3)cc1 | 10.1021/jm800250z | |||
| CHEMBL493272 | 187353 | 0 | None | -1 | 3 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 280 | 2 | 1 | 4 | 2.5 | c1ccc(-c2cccc3c2OCC(C2=NCCN2)O3)cc1 | 10.1021/jm800250z | |||
| 4657799 | 121714 | 3 | None | - | 1 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 254 | 5 | 1 | 2 | 2.7 | NCCCN(C(=O)c1ccccc1)c1ccccc1 | 10.1016/j.bmc.2015.01.013 | |||
| CHEMBL3588907 | 121714 | 3 | None | - | 1 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 254 | 5 | 1 | 2 | 2.7 | NCCCN(C(=O)c1ccccc1)c1ccccc1 | 10.1016/j.bmc.2015.01.013 | |||
| 16090594 | 82125 | 0 | None | 10 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 388 | 3 | 1 | 4 | 5.4 | Cc1ccc2c(Nc3ccc(N4CCN(C)[C@@H](C)C4)cc3)c(C)c(C)nc2c1C | 10.1021/jm060262x | |||
| CHEMBL216674 | 82125 | 0 | None | 10 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 388 | 3 | 1 | 4 | 5.4 | Cc1ccc2c(Nc3ccc(N4CCN(C)[C@@H](C)C4)cc3)c(C)c(C)nc2c1C | 10.1021/jm060262x | |||
| 44456400 | 12834 | 0 | None | -3 | 10 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 181 | 0 | 2 | 3 | 1.4 | NC1=Nc2ccc(Cl)cc2CN1 | 10.1016/j.bmcl.2013.08.072 | |||
| CHEMBL1188501 | 12834 | 0 | None | -3 | 10 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 181 | 0 | 2 | 3 | 1.4 | NC1=Nc2ccc(Cl)cc2CN1 | 10.1016/j.bmcl.2013.08.072 | |||
| CHEMBL2436555 | 12834 | 0 | None | -3 | 10 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 181 | 0 | 2 | 3 | 1.4 | NC1=Nc2ccc(Cl)cc2CN1 | 10.1016/j.bmcl.2013.08.072 | |||
| CHEMBL536539 | 12834 | 0 | None | -3 | 10 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 181 | 0 | 2 | 3 | 1.4 | NC1=Nc2ccc(Cl)cc2CN1 | 10.1016/j.bmcl.2013.08.072 | |||
| 24906198 | 187664 | 3 | None | -3 | 4 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 230 | 5 | 1 | 3 | 2.2 | C=CCc1ccccc1OC(C)C1=NCCN1 | 10.1021/ml400232p | |||
| CHEMBL495095 | 187664 | 3 | None | -3 | 4 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 230 | 5 | 1 | 3 | 2.2 | C=CCc1ccccc1OC(C)C1=NCCN1 | 10.1021/ml400232p | |||
| 44314200 | 102952 | 0 | None | -3 | 4 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 230 | 1 | 1 | 3 | 2.4 | c1ccc2c(c1)CCCC2NC1=NCCCO1 | 10.1016/0960-894X(94)85032-1 | |||
| CHEMBL306377 | 102952 | 0 | None | -3 | 4 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 230 | 1 | 1 | 3 | 2.4 | c1ccc2c(c1)CCCC2NC1=NCCCO1 | 10.1016/0960-894X(94)85032-1 | |||
| 24906198 | 187664 | 3 | None | -3 | 4 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 230 | 5 | 1 | 3 | 2.2 | C=CCc1ccccc1OC(C)C1=NCCN1 | 10.1021/jm800250z | |||
| CHEMBL495095 | 187664 | 3 | None | -3 | 4 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 230 | 5 | 1 | 3 | 2.2 | C=CCc1ccccc1OC(C)C1=NCCN1 | 10.1021/jm800250z | |||
| 45487145 | 197659 | 0 | None | -1 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 230 | 4 | 1 | 3 | 2.5 | C=CCc1ccccc1C(C)OC1=NCCN1 | 10.1021/jm901262f | |||
| CHEMBL570973 | 197659 | 0 | None | -1 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 230 | 4 | 1 | 3 | 2.5 | C=CCc1ccccc1C(C)OC1=NCCN1 | 10.1021/jm901262f | |||
| 24906198 | 187664 | 3 | None | -3 | 4 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 230 | 5 | 1 | 3 | 2.2 | C=CCc1ccccc1OC(C)C1=NCCN1 | 10.1021/jm100977d | |||
| CHEMBL495095 | 187664 | 3 | None | -3 | 4 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 230 | 5 | 1 | 3 | 2.2 | C=CCc1ccccc1OC(C)C1=NCCN1 | 10.1021/jm100977d | |||
| 24906198 | 187664 | 3 | None | -3 | 4 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 230 | 5 | 1 | 3 | 2.2 | C=CCc1ccccc1OC(C)C1=NCCN1 | 10.1021/ml300064v | |||
| CHEMBL495095 | 187664 | 3 | None | -3 | 4 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 230 | 5 | 1 | 3 | 2.2 | C=CCc1ccccc1OC(C)C1=NCCN1 | 10.1021/ml300064v | |||
| 44292386 | 101482 | 0 | None | -5 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 296 | 4 | 1 | 3 | 3.5 | C(=C/c1ccccc1)\C[C@H]1C2CCC(C2)[C@H]1NC1=NCCO1 | 10.1021/jm9905256 | |||
| CHEMBL297827 | 101482 | 0 | None | -5 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 296 | 4 | 1 | 3 | 3.5 | C(=C/c1ccccc1)\C[C@H]1C2CCC(C2)[C@H]1NC1=NCCO1 | 10.1021/jm9905256 | |||
| 57339144 | 92238 | 78 | None | -11 | 6 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 529 | 6 | 1 | 5 | 4.8 | O=C(c1ccc(C(=O)N2CCC(N3CCCC3)CC2)c(Nc2ccccc2)c1)N1CCC(N2CCCC2)CC1 | 10.6019/CHEMBL5212743 | |||
| CHEMBL2426364 | 92238 | 78 | None | -11 | 6 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 529 | 6 | 1 | 5 | 4.8 | O=C(c1ccc(C(=O)N2CCC(N3CCCC3)CC2)c(Nc2ccccc2)c1)N1CCC(N2CCCC2)CC1 | 10.6019/CHEMBL5212743 | |||
| 199798 | 74706 | 9 | None | 3 | 2 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 167 | 2 | 0 | 1 | 2.7 | C1CCC(CN2CCCC2)CC1 | 10.1016/j.bmcl.2012.04.077 | |||
| CHEMBL2030634 | 74706 | 9 | None | 3 | 2 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 167 | 2 | 0 | 1 | 2.7 | C1CCC(CN2CCCC2)CC1 | 10.1016/j.bmcl.2012.04.077 | |||
| 73349361 | 92548 | 0 | None | 1 | 7 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 279 | 4 | 0 | 1 | 3.3 | CN(CCc1ccccc1)[C@H]1C2C3CC4C5C3CC2C5C41 | 10.1016/j.bmc.2013.07.045 | |||
| CHEMBL2432058 | 92548 | 0 | None | 1 | 7 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 279 | 4 | 0 | 1 | 3.3 | CN(CCc1ccccc1)[C@H]1C2C3CC4C5C3CC2C5C41 | 10.1016/j.bmc.2013.07.045 | |||
| 16090625 | 82430 | 0 | None | 7 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 374 | 3 | 1 | 4 | 5.0 | Cc1nc2cccc(C)c2c(Nc2ccc(N3CCN(C)C(C)C3)cc2)c1C | 10.1021/jm060262x | |||
| CHEMBL217452 | 82430 | 0 | None | 7 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 374 | 3 | 1 | 4 | 5.0 | Cc1nc2cccc(C)c2c(Nc2ccc(N3CCN(C)C(C)C3)cc2)c1C | 10.1021/jm060262x | |||
| 16090625 | 82430 | 0 | None | 7 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 374 | 3 | 1 | 4 | 5.0 | Cc1nc2cccc(C)c2c(Nc2ccc(N3CCN(C)C(C)C3)cc2)c1C | 10.1016/j.ejmech.2010.12.026 | |||
| CHEMBL217452 | 82430 | 0 | None | 7 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 374 | 3 | 1 | 4 | 5.0 | Cc1nc2cccc(C)c2c(Nc2ccc(N3CCN(C)C(C)C3)cc2)c1C | 10.1016/j.ejmech.2010.12.026 | |||
| 10674896 | 206644 | 0 | None | -478 | 6 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 588 | 9 | 2 | 6 | 6.4 | CO/C(O)=C1\C(C)=NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc(C#N)cc1 | 10.1021/jm980077m | |||
| CHEMBL89243 | 206644 | 0 | None | -478 | 6 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 588 | 9 | 2 | 6 | 6.4 | CO/C(O)=C1\C(C)=NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc(C#N)cc1 | 10.1021/jm980077m | |||
| 57402718 | 71189 | 2 | None | -8 | 3 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 218 | 4 | 1 | 4 | 1.3 | CC(Oc1ccccc1C=O)C1=NCCN1 | 10.1016/j.bmc.2012.01.035 | |||
| CHEMBL1956201 | 71189 | 2 | None | -8 | 3 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 218 | 4 | 1 | 4 | 1.3 | CC(Oc1ccccc1C=O)C1=NCCN1 | 10.1016/j.bmc.2012.01.035 | |||
| 3584 | 3777 | 64 | None | -50 | 13 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | nan | |||
| 5401 | 3777 | 64 | None | -50 | 13 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | nan | |||
| 7302 | 3777 | 64 | None | -50 | 13 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | nan | |||
| CHEMBL611 | 3777 | 64 | None | -50 | 13 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | nan | |||
| DB01162 | 3777 | 64 | None | -50 | 13 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | nan | |||
| 9795515 | 204820 | 0 | None | -17 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 273 | 3 | 2 | 3 | 4.1 | COc1c(C(C)(C)C)cc(C)c(Nc2ncc[nH]2)c1C | 10.1021/jm9605142 | |||
| CHEMBL75257 | 204820 | 0 | None | -17 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 273 | 3 | 2 | 3 | 4.1 | COc1c(C(C)(C)C)cc(C)c(Nc2ncc[nH]2)c1C | 10.1021/jm9605142 | |||
| 10632290 | 204746 | 5 | None | -2 | 3 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 211 | 2 | 2 | 4 | 2.1 | c1c[nH]c(Nc2ccc3nccnc3c2)n1 | 10.1021/jm9605142 | |||
| CHEMBL74449 | 204746 | 5 | None | -2 | 3 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 211 | 2 | 2 | 4 | 2.1 | c1c[nH]c(Nc2ccc3nccnc3c2)n1 | 10.1021/jm9605142 | |||
| 44328920 | 108641 | 0 | None | -77 | 6 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 705 | 14 | 3 | 7 | 5.9 | CCC1=C(C(N)=O)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)=C(COCC(F)(F)F)N1 | 10.1016/s0960-894x(99)00484-9 | |||
| CHEMBL320736 | 108641 | 0 | None | -77 | 6 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 705 | 14 | 3 | 7 | 5.9 | CCC1=C(C(N)=O)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)=C(COCC(F)(F)F)N1 | 10.1016/s0960-894x(99)00484-9 | |||
| 44324900 | 206898 | 0 | None | 2 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 423 | 6 | 0 | 7 | 2.6 | COc1cc2c(cc1OC)C1=NOC(CN3CCN(Cc4ccccc4)CC3)C1CO2 | 10.1016/s0960-894x(03)00525-0 | |||
| CHEMBL90843 | 206898 | 0 | None | 2 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 423 | 6 | 0 | 7 | 2.6 | COc1cc2c(cc1OC)C1=NOC(CN3CCN(Cc4ccccc4)CC3)C1CO2 | 10.1016/s0960-894x(03)00525-0 | |||
| 44325028 | 206971 | 0 | None | 2 | 2 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 473 | 6 | 0 | 7 | 3.8 | COc1cc2c(cc1OC)C1=NOC(CN3CCN(Cc4cccc5ccccc45)CC3)C1CO2 | 10.1016/s0960-894x(03)00525-0 | |||
| CHEMBL91297 | 206971 | 0 | None | 2 | 2 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 473 | 6 | 0 | 7 | 3.8 | COc1cc2c(cc1OC)C1=NOC(CN3CCN(Cc4cccc5ccccc45)CC3)C1CO2 | 10.1016/s0960-894x(03)00525-0 | |||
| 44325079 | 207185 | 0 | None | 2 | 2 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 437 | 7 | 0 | 7 | 2.7 | COc1cc2c(cc1OC)C1=NOC(CN3CCN(CCc4ccccc4)CC3)C1CO2 | 10.1016/s0960-894x(03)00525-0 | |||
| CHEMBL92496 | 207185 | 0 | None | 2 | 2 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 437 | 7 | 0 | 7 | 2.7 | COc1cc2c(cc1OC)C1=NOC(CN3CCN(CCc4ccccc4)CC3)C1CO2 | 10.1016/s0960-894x(03)00525-0 | |||
| 44324860 | 207498 | 0 | None | 1 | 2 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 479 | 6 | 0 | 8 | 3.8 | COc1cc2c(cc1OC)C1=NOC(CN3CCN(Cc4cc5ccccc5s4)CC3)C1CO2 | 10.1016/s0960-894x(03)00525-0 | |||
| CHEMBL94435 | 207498 | 0 | None | 1 | 2 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 479 | 6 | 0 | 8 | 3.8 | COc1cc2c(cc1OC)C1=NOC(CN3CCN(Cc4cc5ccccc5s4)CC3)C1CO2 | 10.1016/s0960-894x(03)00525-0 | |||
| 49781008 | 17250 | 0 | None | -7 | 4 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 254 | 3 | 1 | 2 | 3.3 | CC(C)O[C@H]1c2ccccc2[C@H]2C[C@@]12c1c[nH]cn1 | 10.1021/jm1006269 | |||
| CHEMBL1256608 | 17250 | 0 | None | -7 | 4 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 254 | 3 | 1 | 2 | 3.3 | CC(C)O[C@H]1c2ccccc2[C@H]2C[C@@]12c1c[nH]cn1 | 10.1021/jm1006269 | |||
| 24839550 | 137315 | 14 | None | -14 | 15 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 240 | 7 | 1 | 1 | 3.4 | C=CCN(CC=C)CCc1c[nH]c2ccccc12 | 10.1016/j.bmcl.2015.12.053 | |||
| CHEMBL3752576 | 137315 | 14 | None | -14 | 15 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 240 | 7 | 1 | 1 | 3.4 | C=CCN(CC=C)CCc1c[nH]c2ccccc12 | 10.1016/j.bmcl.2015.12.053 | |||
| 16090601 | 82392 | 0 | None | 199 | 3 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 376 | 4 | 2 | 5 | 3.9 | Cc1c(CO)nc2ccccc2c1Nc1ccc(N2CCN(C)[C@H](C)C2)cc1 | 10.1021/jm060262x | |||
| CHEMBL217254 | 82392 | 0 | None | 199 | 3 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 376 | 4 | 2 | 5 | 3.9 | Cc1c(CO)nc2ccccc2c1Nc1ccc(N2CCN(C)[C@H](C)C2)cc1 | 10.1021/jm060262x | |||
| 44579303 | 186772 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 488 | 8 | 1 | 7 | 3.5 | O=C(NCCN1CCCN(C[C@@H]2COc3ccccc3O2)CC1)c1cccnc1Oc1ccccc1 | 10.1016/j.bmcl.2008.08.055 | |||
| CHEMBL488974 | 186772 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 488 | 8 | 1 | 7 | 3.5 | O=C(NCCN1CCCN(C[C@@H]2COc3ccccc3O2)CC1)c1cccnc1Oc1ccccc1 | 10.1016/j.bmcl.2008.08.055 | |||
| 16090602 | 82448 | 0 | None | 239 | 3 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 362 | 4 | 2 | 5 | 3.6 | C[C@@H]1CN(c2ccc(Nc3c(CO)cnc4ccccc34)cc2)CCN1C | 10.1021/jm060262x | |||
| CHEMBL217542 | 82448 | 0 | None | 239 | 3 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 362 | 4 | 2 | 5 | 3.6 | C[C@@H]1CN(c2ccc(Nc3c(CO)cnc4ccccc34)cc2)CCN1C | 10.1021/jm060262x | |||
| 16090602 | 82448 | 0 | None | 239 | 3 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 362 | 4 | 2 | 5 | 3.6 | C[C@@H]1CN(c2ccc(Nc3c(CO)cnc4ccccc34)cc2)CCN1C | 10.1016/j.ejmech.2010.12.026 | |||
| CHEMBL217542 | 82448 | 0 | None | 239 | 3 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 362 | 4 | 2 | 5 | 3.6 | C[C@@H]1CN(c2ccc(Nc3c(CO)cnc4ccccc34)cc2)CCN1C | 10.1016/j.ejmech.2010.12.026 | |||
| 2803 | 955 | 58 | None | -4 | 19 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | 10.1016/j.bmc.2012.06.008 | |||
| 516 | 955 | 58 | None | -4 | 19 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | 10.1016/j.bmc.2012.06.008 | |||
| 704 | 955 | 58 | None | -4 | 19 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | 10.1016/j.bmc.2012.06.008 | |||
| CHEMBL134 | 955 | 58 | None | -4 | 19 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | 10.1016/j.bmc.2012.06.008 | |||
| DB00575 | 955 | 58 | None | -4 | 19 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | 10.1016/j.bmc.2012.06.008 | |||
| 44438161 | 147141 | 0 | None | 22 | 3 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 543 | 10 | 1 | 7 | 5.0 | COc1cc2c(cc1OC)CN(Cc1ccc(OC)c3oc(-c4cccc(C(=O)NCCN(C)C)c4)cc13)CC2 | 10.1016/j.bmcl.2006.12.094 | |||
| CHEMBL392771 | 147141 | 0 | None | 22 | 3 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 543 | 10 | 1 | 7 | 5.0 | COc1cc2c(cc1OC)CN(Cc1ccc(OC)c3oc(-c4cccc(C(=O)NCCN(C)C)c4)cc13)CC2 | 10.1016/j.bmcl.2006.12.094 | |||
| 44438165 | 166784 | 0 | None | 48 | 3 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 467 | 9 | 1 | 7 | 3.3 | COc1cc2c(cc1OC)CN(Cc1ccc(OC)c3oc(C(=O)NCCN(C)C)cc13)CC2 | 10.1016/j.bmcl.2006.12.094 | |||
| CHEMBL428407 | 166784 | 0 | None | 48 | 3 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 467 | 9 | 1 | 7 | 3.3 | COc1cc2c(cc1OC)CN(Cc1ccc(OC)c3oc(C(=O)NCCN(C)C)cc13)CC2 | 10.1016/j.bmcl.2006.12.094 | |||
| 44330571 | 163999 | 0 | None | 2 | 2 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 449 | 7 | 0 | 7 | 3.1 | COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C=C\c4ccccc4)CC3)[C@@H]1CO2 | 10.1016/j.bmcl.2004.03.031 | |||
| CHEMBL420830 | 163999 | 0 | None | 2 | 2 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 449 | 7 | 0 | 7 | 3.1 | COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C=C\c4ccccc4)CC3)[C@@H]1CO2 | 10.1016/j.bmcl.2004.03.031 | |||
| 44330571 | 163999 | 0 | None | 2 | 2 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 449 | 7 | 0 | 7 | 3.1 | COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C=C\c4ccccc4)CC3)[C@@H]1CO2 | 10.1016/s0960-894x(03)00525-0 | |||
| CHEMBL420830 | 163999 | 0 | None | 2 | 2 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 449 | 7 | 0 | 7 | 3.1 | COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C=C\c4ccccc4)CC3)[C@@H]1CO2 | 10.1016/s0960-894x(03)00525-0 | |||
| 44324737 | 207238 | 0 | None | 2 | 5 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 473 | 6 | 0 | 7 | 3.8 | COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(Cc4ccc5ccccc5c4)CC3)[C@@H]1CO2 | 10.1016/s0960-894x(03)00525-0 | |||
| CHEMBL92860 | 207238 | 0 | None | 2 | 5 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 473 | 6 | 0 | 7 | 3.8 | COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(Cc4ccc5ccccc5c4)CC3)[C@@H]1CO2 | 10.1016/s0960-894x(03)00525-0 | |||
| 44438148 | 93490 | 0 | None | 14 | 3 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 430 | 6 | 0 | 6 | 5.1 | COc1cc2c(cc1OC)CN(Cc1ccc(OC)c3oc(-c4ccccn4)cc13)CC2 | 10.1016/j.bmcl.2006.12.094 | |||
| CHEMBL246229 | 93490 | 0 | None | 14 | 3 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 430 | 6 | 0 | 6 | 5.1 | COc1cc2c(cc1OC)CN(Cc1ccc(OC)c3oc(-c4ccccn4)cc13)CC2 | 10.1016/j.bmcl.2006.12.094 | |||
| 11465618 | 102398 | 23 | None | -36 | 19 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 354 | 2 | 0 | 2 | 4.9 | CN1CCN([C@@H]2C[C@@H](c3ccccc3)c3ccc(Cl)cc32)CC1(C)C | 10.1016/j.bmcl.2022.128879 | |||
| CHEMBL3039528 | 102398 | 23 | None | -36 | 19 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 354 | 2 | 0 | 2 | 4.9 | CN1CCN([C@@H]2C[C@@H](c3ccccc3)c3ccc(Cl)cc32)CC1(C)C | 10.1016/j.bmcl.2022.128879 | |||
| CHEMBL5191141 | 102398 | 23 | None | -36 | 19 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 354 | 2 | 0 | 2 | 4.9 | CN1CCN([C@@H]2C[C@@H](c3ccccc3)c3ccc(Cl)cc32)CC1(C)C | 10.1016/j.bmcl.2022.128879 | |||
| 9809007 | 172564 | 8 | None | -724 | 6 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 608 | 10 | 2 | 7 | 5.6 | COC(=O)C1=C(C)NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1 | 10.1016/s0960-894x(99)00484-9 | |||
| CHEMBL448620 | 172564 | 8 | None | -724 | 6 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 608 | 10 | 2 | 7 | 5.6 | COC(=O)C1=C(C)NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1 | 10.1016/s0960-894x(99)00484-9 | |||
| 24906159 | 187405 | 12 | None | -3 | 3 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 233 | 4 | 2 | 5 | 1.3 | CC(Oc1ccccc1/C=N/O)C1=NCCN1 | 10.1021/jm800250z | |||
| CHEMBL493675 | 187405 | 12 | None | -3 | 3 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 233 | 4 | 2 | 5 | 1.3 | CC(Oc1ccccc1/C=N/O)C1=NCCN1 | 10.1021/jm800250z | |||
| 11186523 | 127511 | 0 | None | -66 | 9 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 329 | 2 | 0 | 3 | 4.5 | CN(C)C[C@H]1C[C@@H]2c3ccccc3Sc3ccc(F)cc3[C@H]2O1 | 10.1021/jm049632c | |||
| CHEMBL366164 | 127511 | 0 | None | -66 | 9 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 329 | 2 | 0 | 3 | 4.5 | CN(C)C[C@H]1C[C@@H]2c3ccccc3Sc3ccc(F)cc3[C@H]2O1 | 10.1021/jm049632c | |||
| 1343 | 1889 | 62 | None | -251 | 9 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 245 | 2 | 2 | 1 | 1.3 | O=C(Cc1c(Cl)cccc1Cl)N=C(N)N | nan | |||
| 3519 | 1889 | 62 | None | -251 | 9 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 245 | 2 | 2 | 1 | 1.3 | O=C(Cc1c(Cl)cccc1Cl)N=C(N)N | nan | |||
| 522 | 1889 | 62 | None | -251 | 9 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 245 | 2 | 2 | 1 | 1.3 | O=C(Cc1c(Cl)cccc1Cl)N=C(N)N | nan | |||
| CHEMBL862 | 1889 | 62 | None | -251 | 9 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 245 | 2 | 2 | 1 | 1.3 | O=C(Cc1c(Cl)cccc1Cl)N=C(N)N | nan | |||
| DB01018 | 1889 | 62 | None | -251 | 9 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 245 | 2 | 2 | 1 | 1.3 | O=C(Cc1c(Cl)cccc1Cl)N=C(N)N | nan | |||
| 4209 | 3163 | 75 | None | -181 | 33 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | nan | |||
| 4893 | 3163 | 75 | None | -181 | 33 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | nan | |||
| 503 | 3163 | 75 | None | -181 | 33 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | nan | |||
| 5385 | 3163 | 75 | None | -181 | 33 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | nan | |||
| CHEMBL2 | 3163 | 75 | None | -181 | 33 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | nan | |||
| DB00457 | 3163 | 75 | None | -181 | 33 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | nan | |||
| 9906978 | 42711 | 2 | None | -1 | 12 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 361 | 6 | 1 | 3 | 4.0 | O=C(CCCN1CCC(O)(c2ccc(Cl)cc2)C1)c1ccc(F)cc1 | 10.1016/j.bmcl.2006.03.057 | |||
| CHEMBL150161 | 42711 | 2 | None | -1 | 12 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 361 | 6 | 1 | 3 | 4.0 | O=C(CCCN1CCC(O)(c2ccc(Cl)cc2)C1)c1ccc(F)cc1 | 10.1016/j.bmcl.2006.03.057 | |||
| 4209 | 3163 | 75 | None | -181 | 33 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm00018a001 | |||
| 4893 | 3163 | 75 | None | -181 | 33 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm00018a001 | |||
| 503 | 3163 | 75 | None | -181 | 33 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm00018a001 | |||
| 5385 | 3163 | 75 | None | -181 | 33 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm00018a001 | |||
| CHEMBL2 | 3163 | 75 | None | -181 | 33 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm00018a001 | |||
| DB00457 | 3163 | 75 | None | -181 | 33 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm00018a001 | |||
| 1547484 | 940 | 74 | None | -4 | 20 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 368 | 6 | 0 | 2 | 5.1 | c1ccc(cc1)/C=C/CN1CCN(CC1)C(c1ccccc1)c1ccccc1 | nan | |||
| 654 | 940 | 74 | None | -4 | 20 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 368 | 6 | 0 | 2 | 5.1 | c1ccc(cc1)/C=C/CN1CCN(CC1)C(c1ccccc1)c1ccccc1 | nan | |||
| 9072 | 940 | 74 | None | -4 | 20 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 368 | 6 | 0 | 2 | 5.1 | c1ccc(cc1)/C=C/CN1CCN(CC1)C(c1ccccc1)c1ccccc1 | nan | |||
| CHEMBL43064 | 940 | 74 | None | -4 | 20 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 368 | 6 | 0 | 2 | 5.1 | c1ccc(cc1)/C=C/CN1CCN(CC1)C(c1ccccc1)c1ccccc1 | nan | |||
| DB00568 | 940 | 74 | None | -4 | 20 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 368 | 6 | 0 | 2 | 5.1 | c1ccc(cc1)/C=C/CN1CCN(CC1)C(c1ccccc1)c1ccccc1 | nan | |||
| CHEMBL4520788 | 213975 | 10 | None | -4 | 25 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | None | None | None | CNCc1ccccc1-c1csc([C@H](C)Nc2nc(C)nc3cc(OC)c(OC)cc23)c1 | 10.6019/CHEMBL5212743 | |||||
| 5280805 | 85405 | 81 | None | -29 | 3 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 610 | 6 | 10 | 16 | -1.7 | C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3c(-c4ccc(O)c(O)c4)oc4cc(O)cc(O)c4c3=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O | 10.1021/np1000329 | |||
| CHEMBL226335 | 85405 | 81 | None | -29 | 3 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 610 | 6 | 10 | 16 | -1.7 | C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3c(-c4ccc(O)c(O)c4)oc4cc(O)cc(O)c4c3=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O | 10.1021/np1000329 | |||
| 4407909 | 192866 | 1 | None | -16 | 10 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 356 | 4 | 2 | 4 | 3.6 | COc1cc(OC)c(C2NCCc3c2[nH]c2ccc(F)cc32)cc1OC | 10.1021/acsmedchemlett.1c00694 | |||
| CHEMBL5182943 | 192866 | 1 | None | -16 | 10 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 356 | 4 | 2 | 4 | 3.6 | COc1cc(OC)c(C2NCCc3c2[nH]c2ccc(F)cc32)cc1OC | 10.1021/acsmedchemlett.1c00694 | |||
| CHEMBL5221893 | 192866 | 1 | None | -16 | 10 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 356 | 4 | 2 | 4 | 3.6 | COc1cc(OC)c(C2NCCc3c2[nH]c2ccc(F)cc32)cc1OC | 10.1021/acsmedchemlett.1c00694 | |||
| 57395663 | 71181 | 0 | None | -5 | 3 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 258 | 3 | 1 | 3 | 2.5 | CC(Oc1ccccc1C(F)(F)F)C1=NCCN1 | 10.1016/j.bmc.2012.01.035 | |||
| CHEMBL1956193 | 71181 | 0 | None | -5 | 3 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 258 | 3 | 1 | 3 | 2.5 | CC(Oc1ccccc1C(F)(F)F)C1=NCCN1 | 10.1016/j.bmc.2012.01.035 | |||
| 11043720 | 92172 | 0 | None | -5 | 3 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 266 | 4 | 1 | 3 | 3.1 | C[C@@H](Oc1ccccc1-c1ccccc1)C1=NCCN1 | 10.1021/jm061487a | |||
| CHEMBL242265 | 92172 | 0 | None | -5 | 3 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 266 | 4 | 1 | 3 | 3.1 | C[C@@H](Oc1ccccc1-c1ccccc1)C1=NCCN1 | 10.1021/jm061487a | |||
| 11043720 | 92172 | 0 | None | -5 | 3 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 266 | 4 | 1 | 3 | 3.1 | C[C@@H](Oc1ccccc1-c1ccccc1)C1=NCCN1 | 10.1021/jm100977d | |||
| CHEMBL242265 | 92172 | 0 | None | -5 | 3 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 266 | 4 | 1 | 3 | 3.1 | C[C@@H](Oc1ccccc1-c1ccccc1)C1=NCCN1 | 10.1021/jm100977d | |||
| 49783415 | 17678 | 0 | None | -416 | 12 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 320 | 7 | 1 | 5 | 2.9 | CCCCN1CCC(COC(=O)c2ccc(N)c(OC)c2)CC1 | 10.1021/jm100668r | |||
| CHEMBL1258452 | 17678 | 0 | None | -416 | 12 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 320 | 7 | 1 | 5 | 2.9 | CCCCN1CCC(COC(=O)c2ccc(N)c(OC)c2)CC1 | 10.1021/jm100668r | |||
| 73355418 | 92546 | 0 | None | 1 | 3 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 325 | 5 | 0 | 3 | 3.3 | COc1ccc(CN(C)[C@H]2C3C4CC5C6C4CC3C6C52)cc1OC | 10.1016/j.bmc.2013.07.045 | |||
| CHEMBL2432056 | 92546 | 0 | None | 1 | 3 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 325 | 5 | 0 | 3 | 3.3 | COc1ccc(CN(C)[C@H]2C3C4CC5C6C4CC3C6C52)cc1OC | 10.1016/j.bmc.2013.07.045 | |||
| 3952 | 1888 | 38 | None | -19 | 12 | Human | 6.4 | pKd | = | 6.4 | Binding | Guide to Pharmacology | 230 | 2 | 2 | 2 | 1.6 | NC(=N/N=C\c1c(Cl)cccc1Cl)N | 36101495 | |||
| 5353646 | 1888 | 38 | None | -19 | 12 | Human | 6.4 | pKd | = | 6.4 | Binding | Guide to Pharmacology | 230 | 2 | 2 | 2 | 1.6 | NC(=N/N=C\c1c(Cl)cccc1Cl)N | 36101495 | |||
| 5443 | 1888 | 38 | None | -19 | 12 | Human | 6.4 | pKd | = | 6.4 | Binding | Guide to Pharmacology | 230 | 2 | 2 | 2 | 1.6 | NC(=N/N=C\c1c(Cl)cccc1Cl)N | 36101495 | |||
| 5702063 | 1888 | 38 | None | -19 | 12 | Human | 6.4 | pKd | = | 6.4 | Binding | Guide to Pharmacology | 230 | 2 | 2 | 2 | 1.6 | NC(=N/N=C\c1c(Cl)cccc1Cl)N | 36101495 | |||
| CHEMBL1331786 | 1888 | 38 | None | -19 | 12 | Human | 6.4 | pKd | = | 6.4 | Binding | Guide to Pharmacology | 230 | 2 | 2 | 2 | 1.6 | NC(=N/N=C\c1c(Cl)cccc1Cl)N | 36101495 | |||
| CHEMBL420 | 1888 | 38 | None | -19 | 12 | Human | 6.4 | pKd | = | 6.4 | Binding | Guide to Pharmacology | 230 | 2 | 2 | 2 | 1.6 | NC(=N/N=C\c1c(Cl)cccc1Cl)N | 36101495 | |||
| 108094 | 3423 | 27 | None | -2 | 4 | Human | 8.7 | pKd | = | 8.7 | Binding | Guide to Pharmacology | 234 | 2 | 1 | 5 | 0.8 | COC1(COc2c(O1)cccc2)C1=NCCN1 | 35224877 | |||
| 108094 | 3423 | 27 | None | -2 | 4 | Human | 8.7 | pKd | = | 8.7 | Binding | Guide to Pharmacology | 234 | 2 | 1 | 5 | 0.8 | COC1(COc2c(O1)cccc2)C1=NCCN1 | 7908642 | |||
| 108094 | 3423 | 27 | None | -2 | 4 | Human | 8.7 | pKd | = | 8.7 | Binding | Guide to Pharmacology | 234 | 2 | 1 | 5 | 0.8 | COC1(COc2c(O1)cccc2)C1=NCCN1 | 8819505 | |||
| 526 | 3423 | 27 | None | -2 | 4 | Human | 8.7 | pKd | = | 8.7 | Binding | Guide to Pharmacology | 234 | 2 | 1 | 5 | 0.8 | COC1(COc2c(O1)cccc2)C1=NCCN1 | 35224877 | |||
| 526 | 3423 | 27 | None | -2 | 4 | Human | 8.7 | pKd | = | 8.7 | Binding | Guide to Pharmacology | 234 | 2 | 1 | 5 | 0.8 | COC1(COc2c(O1)cccc2)C1=NCCN1 | 7908642 | |||
| 526 | 3423 | 27 | None | -2 | 4 | Human | 8.7 | pKd | = | 8.7 | Binding | Guide to Pharmacology | 234 | 2 | 1 | 5 | 0.8 | COC1(COc2c(O1)cccc2)C1=NCCN1 | 8819505 | |||
| 528 | 3423 | 27 | None | -2 | 4 | Human | 8.7 | pKd | = | 8.7 | Binding | Guide to Pharmacology | 234 | 2 | 1 | 5 | 0.8 | COC1(COc2c(O1)cccc2)C1=NCCN1 | 35224877 | |||
| 528 | 3423 | 27 | None | -2 | 4 | Human | 8.7 | pKd | = | 8.7 | Binding | Guide to Pharmacology | 234 | 2 | 1 | 5 | 0.8 | COC1(COc2c(O1)cccc2)C1=NCCN1 | 7908642 | |||
| 528 | 3423 | 27 | None | -2 | 4 | Human | 8.7 | pKd | = | 8.7 | Binding | Guide to Pharmacology | 234 | 2 | 1 | 5 | 0.8 | COC1(COc2c(O1)cccc2)C1=NCCN1 | 8819505 | |||
| CHEMBL10332 | 3423 | 27 | None | -2 | 4 | Human | 8.7 | pKd | = | 8.7 | Binding | Guide to Pharmacology | 234 | 2 | 1 | 5 | 0.8 | COC1(COc2c(O1)cccc2)C1=NCCN1 | 35224877 | |||
| CHEMBL10332 | 3423 | 27 | None | -2 | 4 | Human | 8.7 | pKd | = | 8.7 | Binding | Guide to Pharmacology | 234 | 2 | 1 | 5 | 0.8 | COC1(COc2c(O1)cccc2)C1=NCCN1 | 7908642 | |||
| CHEMBL10332 | 3423 | 27 | None | -2 | 4 | Human | 8.7 | pKd | = | 8.7 | Binding | Guide to Pharmacology | 234 | 2 | 1 | 5 | 0.8 | COC1(COc2c(O1)cccc2)C1=NCCN1 | 8819505 | |||
| 136 | 3292 | 32 | None | 3 | 15 | Human | 9.5 | pKd | = | 9.5 | Binding | Guide to Pharmacology | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@@H]1[C@@H](O)CC[C@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | 1353247 | |||
| 136 | 3292 | 32 | None | 3 | 15 | Human | 9.5 | pKd | = | 9.5 | Binding | Guide to Pharmacology | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@@H]1[C@@H](O)CC[C@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | 35224877 | |||
| 136 | 3292 | 32 | None | 3 | 15 | Human | 9.5 | pKd | = | 9.5 | Binding | Guide to Pharmacology | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@@H]1[C@@H](O)CC[C@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | 8819505 | |||
| 223 | 3292 | 32 | None | 3 | 15 | Human | 9.5 | pKd | = | 9.5 | Binding | Guide to Pharmacology | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@@H]1[C@@H](O)CC[C@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | 1353247 | |||
| 223 | 3292 | 32 | None | 3 | 15 | Human | 9.5 | pKd | = | 9.5 | Binding | Guide to Pharmacology | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@@H]1[C@@H](O)CC[C@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | 35224877 | |||
| 223 | 3292 | 32 | None | 3 | 15 | Human | 9.5 | pKd | = | 9.5 | Binding | Guide to Pharmacology | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@@H]1[C@@H](O)CC[C@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | 8819505 | |||
| 643606 | 3292 | 32 | None | 3 | 15 | Human | 9.5 | pKd | = | 9.5 | Binding | Guide to Pharmacology | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@@H]1[C@@H](O)CC[C@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | 1353247 | |||
| 643606 | 3292 | 32 | None | 3 | 15 | Human | 9.5 | pKd | = | 9.5 | Binding | Guide to Pharmacology | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@@H]1[C@@H](O)CC[C@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | 35224877 | |||
| 643606 | 3292 | 32 | None | 3 | 15 | Human | 9.5 | pKd | = | 9.5 | Binding | Guide to Pharmacology | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@@H]1[C@@H](O)CC[C@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | 8819505 | |||
| CHEMBL10347 | 3292 | 32 | None | 3 | 15 | Human | 9.5 | pKd | = | 9.5 | Binding | Guide to Pharmacology | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@@H]1[C@@H](O)CC[C@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | 1353247 | |||
| CHEMBL10347 | 3292 | 32 | None | 3 | 15 | Human | 9.5 | pKd | = | 9.5 | Binding | Guide to Pharmacology | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@@H]1[C@@H](O)CC[C@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | 35224877 | |||
| CHEMBL10347 | 3292 | 32 | None | 3 | 15 | Human | 9.5 | pKd | = | 9.5 | Binding | Guide to Pharmacology | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@@H]1[C@@H](O)CC[C@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | 8819505 | |||
| None | 216028 | 0 | 3H-RAUWOLSCINE | 8 | 3 | Human | 10.5 | pKi | = | 10.5 | Binding | PDSP KiDatabase | 339 | 0 | 0 | 3 | 3.3 | CN1CCC2(CCN3CCC4=C(C3C2)OC5=CC=CC=C45)N(C1=O)C | None | |||
| 138107169 | 215952 | 0 | 3H-RAUWOLSCINE | -1 | 22 | Human | 10.4 | pKi | = | 10.4 | Binding | PDSP KiDatabase | 354 | 1 | 2 | 4 | 2.6 | COC(=O)C1C(CCC2C1CC3C4=C(CCN3C2)C5=CC=CC=C5N4)O | None | |||
| 22831402 | 215952 | 0 | 3H-RAUWOLSCINE | -1 | 22 | Human | 10.4 | pKi | = | 10.4 | Binding | PDSP KiDatabase | 354 | 1 | 2 | 4 | 2.6 | COC(=O)C1C(CCC2C1CC3C4=C(CCN3C2)C5=CC=CC=C5N4)O | None | |||
| 138107169 | 215952 | 0 | 3H-RAUWOLSCINE | -3 | 22 | North American opossum | 10.1 | pKi | = | 10.1 | Binding | PDSP KiDatabase | 354 | 1 | 2 | 4 | 2.6 | COC(=O)C1C(CCC2C1CC3C4=C(CCN3C2)C5=CC=CC=C5N4)O | None | |||
| 22831402 | 215952 | 0 | 3H-RAUWOLSCINE | -3 | 22 | North American opossum | 10.1 | pKi | = | 10.1 | Binding | PDSP KiDatabase | 354 | 1 | 2 | 4 | 2.6 | COC(=O)C1C(CCC2C1CC3C4=C(CCN3C2)C5=CC=CC=C5N4)O | None | |||
| 138107169 | 215952 | 0 | 3H-RAUWOLSCINE | -1 | 22 | Human | 9.9 | pKi | = | 9.9 | Binding | PDSP KiDatabase | 354 | 1 | 2 | 4 | 2.6 | COC(=O)C1C(CCC2C1CC3C4=C(CCN3C2)C5=CC=CC=C5N4)O | None | |||
| 22831402 | 215952 | 0 | 3H-RAUWOLSCINE | -1 | 22 | Human | 9.9 | pKi | = | 9.9 | Binding | PDSP KiDatabase | 354 | 1 | 2 | 4 | 2.6 | COC(=O)C1C(CCC2C1CC3C4=C(CCN3C2)C5=CC=CC=C5N4)O | None | |||
| 5268 | 3656 | 40 | 3H-RAUWOLSCINE | -1 | 18 | Human | 9.9 | pKi | = | 9.9 | Binding | PDSP KiDatabase | 379 | 3 | 1 | 5 | 2.3 | O=C1NCN(C21CCN(CC2)CC1COc2c(O1)cccc2)c1ccccc1 | None | |||
| 53 | 3656 | 40 | 3H-RAUWOLSCINE | -1 | 18 | Human | 9.9 | pKi | = | 9.9 | Binding | PDSP KiDatabase | 379 | 3 | 1 | 5 | 2.3 | O=C1NCN(C21CCN(CC2)CC1COc2c(O1)cccc2)c1ccccc1 | None | |||
| CHEMBL300555 | 3656 | 40 | 3H-RAUWOLSCINE | -1 | 18 | Human | 9.9 | pKi | = | 9.9 | Binding | PDSP KiDatabase | 379 | 3 | 1 | 5 | 2.3 | O=C1NCN(C21CCN(CC2)CC1COc2c(O1)cccc2)c1ccccc1 | None | |||
| 138107169 | 215952 | 0 | 3H-RAUWOLSCINE | -1 | 22 | Human | 9.9 | pKi | = | 9.9 | Binding | PDSP KiDatabase | 354 | 1 | 2 | 4 | 2.6 | COC(=O)C1C(CCC2C1CC3C4=C(CCN3C2)C5=CC=CC=C5N4)O | None | |||
| 22831402 | 215952 | 0 | 3H-RAUWOLSCINE | -1 | 22 | Human | 9.9 | pKi | = | 9.9 | Binding | PDSP KiDatabase | 354 | 1 | 2 | 4 | 2.6 | COC(=O)C1C(CCC2C1CC3C4=C(CCN3C2)C5=CC=CC=C5N4)O | None | |||
| None | 216029 | 0 | 3H-RAUWOLSCINE | 2 | 3 | Human | 9.9 | pKi | = | 9.9 | Binding | PDSP KiDatabase | 953 | 28 | 10 | 12 | 0.9 | CCOC1=CC=C(C=C1)CC(C(=O)NC(CC2=CC=CC=C2)C(=O)NC(C(C)C)C(=O)NC(CC(=O)N)C(=O)NC(C=S)C(=O)NC(CCCCN)C(=O)N)NC(=O)CC3(CCCCC3)S | None | |||
| 102 | 4127 | 48 | 3H-RAUWOLSCINE | -2 | 49 | Human | 9.7 | pKi | = | 9.7 | Binding | PDSP KiDatabase | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | None | |||
| 3659 | 4127 | 48 | 3H-RAUWOLSCINE | -2 | 49 | Human | 9.7 | pKi | = | 9.7 | Binding | PDSP KiDatabase | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | None | |||
| 8969 | 4127 | 48 | 3H-RAUWOLSCINE | -2 | 49 | Human | 9.7 | pKi | = | 9.7 | Binding | PDSP KiDatabase | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | None | |||
| CHEMBL15245 | 4127 | 48 | 3H-RAUWOLSCINE | -2 | 49 | Human | 9.7 | pKi | = | 9.7 | Binding | PDSP KiDatabase | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | None | |||
| DB01392 | 4127 | 48 | 3H-RAUWOLSCINE | -2 | 49 | Human | 9.7 | pKi | = | 9.7 | Binding | PDSP KiDatabase | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | None | |||
| 102 | 4127 | 48 | 3H-RAUWOLSCINE | -2 | 49 | Human | 9.7 | pKi | = | 9.7 | Binding | PDSP KiDatabase | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | None | |||
| 3659 | 4127 | 48 | 3H-RAUWOLSCINE | -2 | 49 | Human | 9.7 | pKi | = | 9.7 | Binding | PDSP KiDatabase | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | None | |||
| 8969 | 4127 | 48 | 3H-RAUWOLSCINE | -2 | 49 | Human | 9.7 | pKi | = | 9.7 | Binding | PDSP KiDatabase | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | None | |||
| CHEMBL15245 | 4127 | 48 | 3H-RAUWOLSCINE | -2 | 49 | Human | 9.7 | pKi | = | 9.7 | Binding | PDSP KiDatabase | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | None | |||
| DB01392 | 4127 | 48 | 3H-RAUWOLSCINE | -2 | 49 | Human | 9.7 | pKi | = | 9.7 | Binding | PDSP KiDatabase | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | None | |||
| CHEMBL1196898 | 216030 | 0 | 3H-RAUWOLSCINE | -1 | 3 | Human | 9.6 | pKi | = | 9.6 | Binding | PDSP KiDatabase | 248 | 3 | 1 | 5 | 1.2 | CCOC1(COC2=CC=CC=C2O1)C3=NCCN3 | None | |||
| 102 | 4127 | 48 | 3H-RX821002 | -2 | 49 | Human | 9.6 | pKi | = | 9.6 | Binding | PDSP KiDatabase | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | None | |||
| 3659 | 4127 | 48 | 3H-RX821002 | -2 | 49 | Human | 9.6 | pKi | = | 9.6 | Binding | PDSP KiDatabase | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | None | |||
| 8969 | 4127 | 48 | 3H-RX821002 | -2 | 49 | Human | 9.6 | pKi | = | 9.6 | Binding | PDSP KiDatabase | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | None | |||
| CHEMBL15245 | 4127 | 48 | 3H-RX821002 | -2 | 49 | Human | 9.6 | pKi | = | 9.6 | Binding | PDSP KiDatabase | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | None | |||
| DB01392 | 4127 | 48 | 3H-RX821002 | -2 | 49 | Human | 9.6 | pKi | = | 9.6 | Binding | PDSP KiDatabase | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | None | |||
| 5268 | 3656 | 40 | 3H-RAUWOLSCINE | -1 | 18 | Human | 9.6 | pKi | = | 9.6 | Binding | PDSP KiDatabase | 379 | 3 | 1 | 5 | 2.3 | O=C1NCN(C21CCN(CC2)CC1COc2c(O1)cccc2)c1ccccc1 | None | |||
| 53 | 3656 | 40 | 3H-RAUWOLSCINE | -1 | 18 | Human | 9.6 | pKi | = | 9.6 | Binding | PDSP KiDatabase | 379 | 3 | 1 | 5 | 2.3 | O=C1NCN(C21CCN(CC2)CC1COc2c(O1)cccc2)c1ccccc1 | None | |||
| CHEMBL300555 | 3656 | 40 | 3H-RAUWOLSCINE | -1 | 18 | Human | 9.6 | pKi | = | 9.6 | Binding | PDSP KiDatabase | 379 | 3 | 1 | 5 | 2.3 | O=C1NCN(C21CCN(CC2)CC1COc2c(O1)cccc2)c1ccccc1 | None | |||
| None | 215958 | 0 | 3H-RAUWOLSCINE | -4 | 19 | Human | 9.6 | pKi | = | 9.6 | Binding | PDSP KiDatabase | 421 | 9 | 1 | 6 | 4.3 | COC1=C(C(=CC=C1)OC)OCCNCC2C(OC3=CC=CC=C3O2)C4=CC=CC=C4 | None | |||
| 102 | 4127 | 48 | 3H-RAUWOLSCINE | -2 | 49 | Human | 9.5 | pKi | = | 9.5 | Binding | PDSP KiDatabase | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | None | |||
| 3659 | 4127 | 48 | 3H-RAUWOLSCINE | -2 | 49 | Human | 9.5 | pKi | = | 9.5 | Binding | PDSP KiDatabase | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | None | |||
| 8969 | 4127 | 48 | 3H-RAUWOLSCINE | -2 | 49 | Human | 9.5 | pKi | = | 9.5 | Binding | PDSP KiDatabase | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | None | |||
| CHEMBL15245 | 4127 | 48 | 3H-RAUWOLSCINE | -2 | 49 | Human | 9.5 | pKi | = | 9.5 | Binding | PDSP KiDatabase | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | None | |||
| DB01392 | 4127 | 48 | 3H-RAUWOLSCINE | -2 | 49 | Human | 9.5 | pKi | = | 9.5 | Binding | PDSP KiDatabase | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | None | |||
| 164512323 | 216031 | 0 | 3H-RAUWOLSCINE | 5 | 5 | Human | 9.5 | pKi | = | 9.5 | Binding | PDSP KiDatabase | 352 | 1 | 1 | 4 | 3.2 | CC1C2CN3CCC4=C(C3CC2C(=CO1)C(=O)OC)NC5=CC=CC=C45 | None | |||
| 6419959 | 216031 | 0 | 3H-RAUWOLSCINE | 5 | 5 | Human | 9.5 | pKi | = | 9.5 | Binding | PDSP KiDatabase | 352 | 1 | 1 | 4 | 3.2 | CC1C2CN3CCC4=C(C3CC2C(=CO1)C(=O)OC)NC5=CC=CC=C45 | None | |||
| 5268 | 3656 | 40 | 3H-RAUWOLSCINE | -1 | 18 | Human | 9.4 | pKi | = | 9.4 | Binding | PDSP KiDatabase | 379 | 3 | 1 | 5 | 2.3 | O=C1NCN(C21CCN(CC2)CC1COc2c(O1)cccc2)c1ccccc1 | None | |||
| 53 | 3656 | 40 | 3H-RAUWOLSCINE | -1 | 18 | Human | 9.4 | pKi | = | 9.4 | Binding | PDSP KiDatabase | 379 | 3 | 1 | 5 | 2.3 | O=C1NCN(C21CCN(CC2)CC1COc2c(O1)cccc2)c1ccccc1 | None | |||
| CHEMBL300555 | 3656 | 40 | 3H-RAUWOLSCINE | -1 | 18 | Human | 9.4 | pKi | = | 9.4 | Binding | PDSP KiDatabase | 379 | 3 | 1 | 5 | 2.3 | O=C1NCN(C21CCN(CC2)CC1COc2c(O1)cccc2)c1ccccc1 | None | |||
| 102 | 4127 | 48 | 3H-RAUWOLSCINE | 2 | 49 | North American opossum | 9.4 | pKi | = | 9.4 | Binding | PDSP KiDatabase | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | None | |||
| 3659 | 4127 | 48 | 3H-RAUWOLSCINE | 2 | 49 | North American opossum | 9.4 | pKi | = | 9.4 | Binding | PDSP KiDatabase | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | None | |||
| 8969 | 4127 | 48 | 3H-RAUWOLSCINE | 2 | 49 | North American opossum | 9.4 | pKi | = | 9.4 | Binding | PDSP KiDatabase | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | None | |||
| CHEMBL15245 | 4127 | 48 | 3H-RAUWOLSCINE | 2 | 49 | North American opossum | 9.4 | pKi | = | 9.4 | Binding | PDSP KiDatabase | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | None | |||
| DB01392 | 4127 | 48 | 3H-RAUWOLSCINE | 2 | 49 | North American opossum | 9.4 | pKi | = | 9.4 | Binding | PDSP KiDatabase | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | None | |||
| None | 215958 | 0 | 3H-RAUWOLSCINE | -4 | 19 | Human | 9.4 | pKi | = | 9.4 | Binding | PDSP KiDatabase | 421 | 9 | 1 | 6 | 4.3 | COC1=C(C(=CC=C1)OC)OCCNCC2C(OC3=CC=CC=C3O2)C4=CC=CC=C4 | None | |||
| 12576 | 514 | 94 | 3H-RAUWOLSCINE | -2 | 6 | Human | 9.3 | pKi | = | 9.3 | Binding | PDSP KiDatabase | 212 | 2 | 1 | 1 | 2.9 | CCC1(CC2=CC=CC=C2C1)C3=CN=CN3 | None | |||
| 71310 | 514 | 94 | 3H-RAUWOLSCINE | -2 | 6 | Human | 9.3 | pKi | = | 9.3 | Binding | PDSP KiDatabase | 212 | 2 | 1 | 1 | 2.9 | CCC1(CC2=CC=CC=C2C1)C3=CN=CN3 | None | |||
| CHEMBL353972 | 514 | 94 | 3H-RAUWOLSCINE | -2 | 6 | Human | 9.3 | pKi | = | 9.3 | Binding | PDSP KiDatabase | 212 | 2 | 1 | 1 | 2.9 | CCC1(CC2=CC=CC=C2C1)C3=CN=CN3 | None | |||
| DB11481 | 514 | 94 | 3H-RAUWOLSCINE | -2 | 6 | Human | 9.3 | pKi | = | 9.3 | Binding | PDSP KiDatabase | 212 | 2 | 1 | 1 | 2.9 | CCC1(CC2=CC=CC=C2C1)C3=CN=CN3 | None | |||
| None | 215961 | 0 | 3H-RAUWOLSCINE | 1 | 5 | Human | 9.3 | pKi | = | 9.3 | Binding | PDSP KiDatabase | 295 | 5 | 2 | 3 | 3.0 | C1CC2=CC=CC=C2C(=O)C1CNCCC3=CC=C(C=C3)O | None | |||
| 138107169 | 215952 | 0 | 35S-GTPGammaS | -1 | 22 | Human | 9.3 | pKi | = | 9.3 | Binding | PDSP KiDatabase | 354 | 1 | 2 | 4 | 2.6 | COC(=O)C1C(CCC2C1CC3C4=C(CCN3C2)C5=CC=CC=C5N4)O | None | |||
| 22831402 | 215952 | 0 | 35S-GTPGammaS | -1 | 22 | Human | 9.3 | pKi | = | 9.3 | Binding | PDSP KiDatabase | 354 | 1 | 2 | 4 | 2.6 | COC(=O)C1C(CCC2C1CC3C4=C(CCN3C2)C5=CC=CC=C5N4)O | None | |||
| 12575 | 1988 | 30 | 3H-RAUWOLSCINE | -8 | 17 | Human | 9.3 | pKi | = | 9.3 | Binding | PDSP KiDatabase | 204 | 1 | 1 | 4 | 0.8 | C1CN=C(N1)C2COC3=CC=CC=C3O2 | None | |||
| 54459 | 1988 | 30 | 3H-RAUWOLSCINE | -8 | 17 | Human | 9.3 | pKi | = | 9.3 | Binding | PDSP KiDatabase | 204 | 1 | 1 | 4 | 0.8 | C1CN=C(N1)C2COC3=CC=CC=C3O2 | None | |||
| CHEMBL10316 | 1988 | 30 | 3H-RAUWOLSCINE | -8 | 17 | Human | 9.3 | pKi | = | 9.3 | Binding | PDSP KiDatabase | 204 | 1 | 1 | 4 | 0.8 | C1CN=C(N1)C2COC3=CC=CC=C3O2 | None | |||
| None | 216032 | 0 | 3H-RAUWOLSCINE | 9 | 3 | Human | 9.3 | pKi | = | 9.3 | Binding | PDSP KiDatabase | 401 | 6 | 1 | 5 | 0.6 | CS(=O)(=O)NCCN(C1CCN2CCC3=CC=CC=C3C2C1)S(=O)(=O)C | None | |||
| 5268 | 3656 | 40 | 3H-RAUWOLSCINE | -1 | 18 | Human | 9.2 | pKi | = | 9.2 | Binding | PDSP KiDatabase | 379 | 3 | 1 | 5 | 2.3 | O=C1NCN(C21CCN(CC2)CC1COc2c(O1)cccc2)c1ccccc1 | None | |||
| 53 | 3656 | 40 | 3H-RAUWOLSCINE | -1 | 18 | Human | 9.2 | pKi | = | 9.2 | Binding | PDSP KiDatabase | 379 | 3 | 1 | 5 | 2.3 | O=C1NCN(C21CCN(CC2)CC1COc2c(O1)cccc2)c1ccccc1 | None | |||
| CHEMBL300555 | 3656 | 40 | 3H-RAUWOLSCINE | -1 | 18 | Human | 9.2 | pKi | = | 9.2 | Binding | PDSP KiDatabase | 379 | 3 | 1 | 5 | 2.3 | O=C1NCN(C21CCN(CC2)CC1COc2c(O1)cccc2)c1ccccc1 | None | |||
| 5268 | 3656 | 40 | 3H-RAUWOLSCINE | -2 | 18 | North American opossum | 9.2 | pKi | = | 9.2 | Binding | PDSP KiDatabase | 379 | 3 | 1 | 5 | 2.3 | O=C1NCN(C21CCN(CC2)CC1COc2c(O1)cccc2)c1ccccc1 | None | |||
| 53 | 3656 | 40 | 3H-RAUWOLSCINE | -2 | 18 | North American opossum | 9.2 | pKi | = | 9.2 | Binding | PDSP KiDatabase | 379 | 3 | 1 | 5 | 2.3 | O=C1NCN(C21CCN(CC2)CC1COc2c(O1)cccc2)c1ccccc1 | None | |||
| CHEMBL300555 | 3656 | 40 | 3H-RAUWOLSCINE | -2 | 18 | North American opossum | 9.2 | pKi | = | 9.2 | Binding | PDSP KiDatabase | 379 | 3 | 1 | 5 | 2.3 | O=C1NCN(C21CCN(CC2)CC1COc2c(O1)cccc2)c1ccccc1 | None | |||
| None | 215958 | 0 | 3H-RAUWOLSCINE | -4 | 19 | Human | 9.1 | pKi | = | 9.1 | Binding | PDSP KiDatabase | 421 | 9 | 1 | 6 | 4.3 | COC1=C(C(=CC=C1)OC)OCCNCC2C(OC3=CC=CC=C3O2)C4=CC=CC=C4 | None | |||
| 2601 | 3780 | 33 | 3H-RX821002 | -2 | 21 | Human | 9.1 | pKi | = | 9.1 | Binding | PDSP KiDatabase | 340 | 3 | 2 | 2 | 2.9 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)c[nH]3)CC | None | |||
| 443951 | 3780 | 33 | 3H-RX821002 | -2 | 21 | Human | 9.1 | pKi | = | 9.1 | Binding | PDSP KiDatabase | 340 | 3 | 2 | 2 | 2.9 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)c[nH]3)CC | None | |||
| 56 | 3780 | 33 | 3H-RX821002 | -2 | 21 | Human | 9.1 | pKi | = | 9.1 | Binding | PDSP KiDatabase | 340 | 3 | 2 | 2 | 2.9 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)c[nH]3)CC | None | |||
| CHEMBL73151 | 3780 | 33 | 3H-RX821002 | -2 | 21 | Human | 9.1 | pKi | = | 9.1 | Binding | PDSP KiDatabase | 340 | 3 | 2 | 2 | 2.9 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)c[nH]3)CC | None | |||
| DB13399 | 3780 | 33 | 3H-RX821002 | -2 | 21 | Human | 9.1 | pKi | = | 9.1 | Binding | PDSP KiDatabase | 340 | 3 | 2 | 2 | 2.9 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)c[nH]3)CC | None | |||
| 138107169 | 215952 | 0 | 3H-MK912 | -1 | 22 | Human | 9.1 | pKi | = | 9.1 | Binding | PDSP KiDatabase | 354 | 1 | 2 | 4 | 2.6 | COC(=O)C1C(CCC2C1CC3C4=C(CCN3C2)C5=CC=CC=C5N4)O | None | |||
| 22831402 | 215952 | 0 | 3H-MK912 | -1 | 22 | Human | 9.1 | pKi | = | 9.1 | Binding | PDSP KiDatabase | 354 | 1 | 2 | 4 | 2.6 | COC(=O)C1C(CCC2C1CC3C4=C(CCN3C2)C5=CC=CC=C5N4)O | None | |||
| 108094 | 3423 | 27 | 35S-GTPGammaS | -2 | 4 | Human | 9.1 | pKi | = | 9.1 | Binding | PDSP KiDatabase | 234 | 2 | 1 | 5 | 0.8 | COC1(COc2c(O1)cccc2)C1=NCCN1 | None | |||
| 526 | 3423 | 27 | 35S-GTPGammaS | -2 | 4 | Human | 9.1 | pKi | = | 9.1 | Binding | PDSP KiDatabase | 234 | 2 | 1 | 5 | 0.8 | COC1(COc2c(O1)cccc2)C1=NCCN1 | None | |||
| 528 | 3423 | 27 | 35S-GTPGammaS | -2 | 4 | Human | 9.1 | pKi | = | 9.1 | Binding | PDSP KiDatabase | 234 | 2 | 1 | 5 | 0.8 | COC1(COc2c(O1)cccc2)C1=NCCN1 | None | |||
| CHEMBL10332 | 3423 | 27 | 35S-GTPGammaS | -2 | 4 | Human | 9.1 | pKi | = | 9.1 | Binding | PDSP KiDatabase | 234 | 2 | 1 | 5 | 0.8 | COC1(COc2c(O1)cccc2)C1=NCCN1 | None | |||
| 44438167 | 148970 | 0 | UNDEFINED | 52 | 3 | Human | 9.1 | pKi | = | 9.1 | Binding | PDSP KiDatabase | 505 | 7 | 1 | 7 | 3.8 | COc1cc2c(cc1OC)CN(Cc1ccc(OC)c3oc(C(=O)NC4CN5CCC4CC5)cc13)CC2 | None | |||
| CHEMBL394218 | 148970 | 0 | UNDEFINED | 52 | 3 | Human | 9.1 | pKi | = | 9.1 | Binding | PDSP KiDatabase | 505 | 7 | 1 | 7 | 3.8 | COc1cc2c(cc1OC)CN(Cc1ccc(OC)c3oc(C(=O)NC4CN5CCC4CC5)cc13)CC2 | None | |||
| None | 215959 | 0 | 3H-RAUWOLSCINE | 2 | 6 | Human | 9.1 | pKi | = | 9.1 | Binding | PDSP KiDatabase | 358 | 4 | 0 | 3 | 2.8 | CCCS(=O)(=O)N(C)C1CCN2CCC3=CC=CC=C3C2C1.Cl | None | |||
| 5268 | 3656 | 40 | 3H-MK912 | -1 | 18 | Human | 9.0 | pKi | = | 9.0 | Binding | PDSP KiDatabase | 379 | 3 | 1 | 5 | 2.3 | O=C1NCN(C21CCN(CC2)CC1COc2c(O1)cccc2)c1ccccc1 | None | |||
| 53 | 3656 | 40 | 3H-MK912 | -1 | 18 | Human | 9.0 | pKi | = | 9.0 | Binding | PDSP KiDatabase | 379 | 3 | 1 | 5 | 2.3 | O=C1NCN(C21CCN(CC2)CC1COc2c(O1)cccc2)c1ccccc1 | None | |||
| CHEMBL300555 | 3656 | 40 | 3H-MK912 | -1 | 18 | Human | 9.0 | pKi | = | 9.0 | Binding | PDSP KiDatabase | 379 | 3 | 1 | 5 | 2.3 | O=C1NCN(C21CCN(CC2)CC1COc2c(O1)cccc2)c1ccccc1 | None | |||
| 164512323 | 216031 | 0 | 3H-RAUWOLSCINE | 5 | 5 | Human | 9.0 | pKi | = | 9.0 | Binding | PDSP KiDatabase | 352 | 1 | 1 | 4 | 3.2 | CC1C2CN3CCC4=C(C3CC2C(=CO1)C(=O)OC)NC5=CC=CC=C45 | None | |||
| 6419959 | 216031 | 0 | 3H-RAUWOLSCINE | 5 | 5 | Human | 9.0 | pKi | = | 9.0 | Binding | PDSP KiDatabase | 352 | 1 | 1 | 4 | 3.2 | CC1C2CN3CCC4=C(C3CC2C(=CO1)C(=O)OC)NC5=CC=CC=C45 | None | |||
| 2389 | 3331 | 118 | 3H-CLONIDINE | -10 | 67 | Human | 8.9 | pKi | = | 8.9 | Binding | PDSP KiDatabase | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | None | |||
| 5073 | 3331 | 118 | 3H-CLONIDINE | -10 | 67 | Human | 8.9 | pKi | = | 8.9 | Binding | PDSP KiDatabase | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | None | |||
| 96 | 3331 | 118 | 3H-CLONIDINE | -10 | 67 | Human | 8.9 | pKi | = | 8.9 | Binding | PDSP KiDatabase | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | None | |||
| CHEMBL85 | 3331 | 118 | 3H-CLONIDINE | -10 | 67 | Human | 8.9 | pKi | = | 8.9 | Binding | PDSP KiDatabase | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | None | |||
| DB00734 | 3331 | 118 | 3H-CLONIDINE | -10 | 67 | Human | 8.9 | pKi | = | 8.9 | Binding | PDSP KiDatabase | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | None | |||
| 6040 | 216033 | 0 | 3H-RAUWOLSCINE | 1 | 3 | Human | 8.9 | pKi | = | 8.9 | Binding | PDSP KiDatabase | 233 | 2 | 0 | 3 | 2.3 | C1CCN(CC1)CC2COC3=CC=CC=C3O2 | None | |||
| 41 | 1659 | 0 | 3H-RX821002 | -1 | 17 | Human | 8.8 | pKi | = | 8.8 | Binding | PDSP KiDatabase | 195 | 0 | 1 | 3 | 0.9 | Fc1cccc2c1O[C@H]1CNC[C@@H]1O2 | None | |||
| 72036 | 1659 | 0 | 3H-RX821002 | -1 | 17 | Human | 8.8 | pKi | = | 8.8 | Binding | PDSP KiDatabase | 195 | 0 | 1 | 3 | 0.9 | Fc1cccc2c1O[C@H]1CNC[C@@H]1O2 | None | |||
| CHEMBL1765294 | 1659 | 0 | 3H-RX821002 | -1 | 17 | Human | 8.8 | pKi | = | 8.8 | Binding | PDSP KiDatabase | 195 | 0 | 1 | 3 | 0.9 | Fc1cccc2c1O[C@H]1CNC[C@@H]1O2 | None | |||
| None | 215958 | 0 | 3H-RAUWOLSCINE | -10 | 19 | North American opossum | 8.8 | pKi | = | 8.8 | Binding | PDSP KiDatabase | 421 | 9 | 1 | 6 | 4.3 | COC1=C(C(=CC=C1)OC)OCCNCC2C(OC3=CC=CC=C3O2)C4=CC=CC=C4 | None | |||
| 164512323 | 216031 | 0 | 3H-RAUWOLSCINE | 5 | 5 | Human | 8.8 | pKi | = | 8.8 | Binding | PDSP KiDatabase | 352 | 1 | 1 | 4 | 3.2 | CC1C2CN3CCC4=C(C3CC2C(=CO1)C(=O)OC)NC5=CC=CC=C45 | None | |||
| 6419959 | 216031 | 0 | 3H-RAUWOLSCINE | 5 | 5 | Human | 8.8 | pKi | = | 8.8 | Binding | PDSP KiDatabase | 352 | 1 | 1 | 4 | 3.2 | CC1C2CN3CCC4=C(C3CC2C(=CO1)C(=O)OC)NC5=CC=CC=C45 | None | |||
| 219050 | 3373 | 25 | 3H-RX821002 | -10 | 21 | Human | 8.8 | pKi | = | 8.8 | Binding | PDSP KiDatabase | 346 | 6 | 2 | 2 | 5.0 | Oc1ccc2c(c1)c(CCCCN1CCC(=CC1)c1ccccc1)c[nH]2 | None | |||
| 52 | 3373 | 25 | 3H-RX821002 | -10 | 21 | Human | 8.8 | pKi | = | 8.8 | Binding | PDSP KiDatabase | 346 | 6 | 2 | 2 | 5.0 | Oc1ccc2c(c1)c(CCCCN1CCC(=CC1)c1ccccc1)c[nH]2 | None | |||
| CHEMBL431367 | 3373 | 25 | 3H-RX821002 | -10 | 21 | Human | 8.8 | pKi | = | 8.8 | Binding | PDSP KiDatabase | 346 | 6 | 2 | 2 | 5.0 | Oc1ccc2c(c1)c(CCCCN1CCC(=CC1)c1ccccc1)c[nH]2 | None | |||
| 108094 | 3423 | 27 | 3H-MK912 | -2 | 4 | Human | 8.8 | pKi | = | 8.8 | Binding | PDSP KiDatabase | 234 | 2 | 1 | 5 | 0.8 | COC1(COc2c(O1)cccc2)C1=NCCN1 | None | |||
| 526 | 3423 | 27 | 3H-MK912 | -2 | 4 | Human | 8.8 | pKi | = | 8.8 | Binding | PDSP KiDatabase | 234 | 2 | 1 | 5 | 0.8 | COC1(COc2c(O1)cccc2)C1=NCCN1 | None | |||
| 528 | 3423 | 27 | 3H-MK912 | -2 | 4 | Human | 8.8 | pKi | = | 8.8 | Binding | PDSP KiDatabase | 234 | 2 | 1 | 5 | 0.8 | COC1(COc2c(O1)cccc2)C1=NCCN1 | None | |||
| CHEMBL10332 | 3423 | 27 | 3H-MK912 | -2 | 4 | Human | 8.8 | pKi | = | 8.8 | Binding | PDSP KiDatabase | 234 | 2 | 1 | 5 | 0.8 | COC1(COc2c(O1)cccc2)C1=NCCN1 | None | |||
| None | 216707 | 0 | UNDEFINED | -1 | 3 | Human | 8.7 | pKi | = | 8.7 | Binding | PDSP KiDatabase | 390 | 1 | 2 | 4 | 3.1 | COC(=O)C1C(CCC2C1CC3C4=C(CCN3C2)C5=CC=CC=C5N4)O.Cl | None | |||
| 102 | 4127 | 48 | 3H-RX821002 | -26 | 49 | Rat | 8.0 | pKi | = | 8.0 | Binding | PDSP KiDatabase | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | None | |||
| 3659 | 4127 | 48 | 3H-RX821002 | -26 | 49 | Rat | 8.0 | pKi | = | 8.0 | Binding | PDSP KiDatabase | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | None | |||
| 8969 | 4127 | 48 | 3H-RX821002 | -26 | 49 | Rat | 8.0 | pKi | = | 8.0 | Binding | PDSP KiDatabase | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | None | |||
| CHEMBL15245 | 4127 | 48 | 3H-RX821002 | -26 | 49 | Rat | 8.0 | pKi | = | 8.0 | Binding | PDSP KiDatabase | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | None | |||
| DB01392 | 4127 | 48 | 3H-RX821002 | -26 | 49 | Rat | 8.0 | pKi | = | 8.0 | Binding | PDSP KiDatabase | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | None | |||
| 4209 | 3163 | 75 | 3H-RAUWOLSCINE | -181 | 33 | Human | 8.0 | pKi | = | 8.0 | Binding | PDSP KiDatabase | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | None | |||
| 4893 | 3163 | 75 | 3H-RAUWOLSCINE | -181 | 33 | Human | 8.0 | pKi | = | 8.0 | Binding | PDSP KiDatabase | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | None | |||
| 503 | 3163 | 75 | 3H-RAUWOLSCINE | -181 | 33 | Human | 8.0 | pKi | = | 8.0 | Binding | PDSP KiDatabase | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | None | |||
| 5385 | 3163 | 75 | 3H-RAUWOLSCINE | -181 | 33 | Human | 8.0 | pKi | = | 8.0 | Binding | PDSP KiDatabase | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | None | |||
| CHEMBL2 | 3163 | 75 | 3H-RAUWOLSCINE | -181 | 33 | Human | 8.0 | pKi | = | 8.0 | Binding | PDSP KiDatabase | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | None | |||
| DB00457 | 3163 | 75 | 3H-RAUWOLSCINE | -181 | 33 | Human | 8.0 | pKi | = | 8.0 | Binding | PDSP KiDatabase | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | None | |||
| 165193 | 215945 | 0 | 3H-RAUWOLSCINE | -4265 | 30 | Human | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 259 | 6 | 2 | 3 | 2.6 | CC(C)NCC(COC1=CC=CC2=CC=CC=C21)O | None | |||
| 62882 | 215945 | 0 | 3H-RAUWOLSCINE | -4265 | 30 | Human | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 259 | 6 | 2 | 3 | 2.6 | CC(C)NCC(COC1=CC=CC2=CC=CC=C21)O | None | |||
| 66366 | 215945 | 0 | 3H-RAUWOLSCINE | -4265 | 30 | Human | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 259 | 6 | 2 | 3 | 2.6 | CC(C)NCC(COC1=CC=CC2=CC=CC=C21)O | None | |||
| 119570 | 3159 | 96 | 3H-RX821002 | -89 | 40 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 211 | 3 | 2 | 4 | 1.6 | CCCN[C@H]1CCc2c(C1)sc(n2)N | None | |||
| 2233 | 3159 | 96 | 3H-RX821002 | -89 | 40 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 211 | 3 | 2 | 4 | 1.6 | CCCN[C@H]1CCc2c(C1)sc(n2)N | None | |||
| 953 | 3159 | 96 | 3H-RX821002 | -89 | 40 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 211 | 3 | 2 | 4 | 1.6 | CCCN[C@H]1CCc2c(C1)sc(n2)N | None | |||
| CHEMBL301265 | 3159 | 96 | 3H-RX821002 | -89 | 40 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 211 | 3 | 2 | 4 | 1.6 | CCCN[C@H]1CCc2c(C1)sc(n2)N | None | |||
| DB00413 | 3159 | 96 | 3H-RX821002 | -89 | 40 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 211 | 3 | 2 | 4 | 1.6 | CCCN[C@H]1CCc2c(C1)sc(n2)N | None | |||
| 243 | 3202 | 91 | 3H-RAUWOLSCINE | -1096 | 34 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 367 | 6 | 2 | 5 | 2.1 | COCCCN1CCC(CC1)NC(=O)c1cc(Cl)c(c2c1OCC2)N | None | |||
| 3052762 | 3202 | 91 | 3H-RAUWOLSCINE | -1096 | 34 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 367 | 6 | 2 | 5 | 2.1 | COCCCN1CCC(CC1)NC(=O)c1cc(Cl)c(c2c1OCC2)N | None | |||
| 3502 | 3202 | 91 | 3H-RAUWOLSCINE | -1096 | 34 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 367 | 6 | 2 | 5 | 2.1 | COCCCN1CCC(CC1)NC(=O)c1cc(Cl)c(c2c1OCC2)N | None | |||
| CHEMBL117287 | 3202 | 91 | 3H-RAUWOLSCINE | -1096 | 34 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 367 | 6 | 2 | 5 | 2.1 | COCCCN1CCC(CC1)NC(=O)c1cc(Cl)c(c2c1OCC2)N | None | |||
| DB06480 | 3202 | 91 | 3H-RAUWOLSCINE | -1096 | 34 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 367 | 6 | 2 | 5 | 2.1 | COCCCN1CCC(CC1)NC(=O)c1cc(Cl)c(c2c1OCC2)N | None | |||
| 2 | 3261 | 23 | 3H-RX821002 | -2089 | 29 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 219 | 2 | 1 | 2 | 2.0 | CCCN1CCC[C@H]2[C@H]1Cc1cn[nH]c1C2 | None | |||
| 54562 | 3261 | 23 | 3H-RX821002 | -2089 | 29 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 219 | 2 | 1 | 2 | 2.0 | CCCN1CCC[C@H]2[C@H]1Cc1cn[nH]c1C2 | None | |||
| CHEMBL240773 | 3261 | 23 | 3H-RX821002 | -2089 | 29 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 219 | 2 | 1 | 2 | 2.0 | CCCN1CCC[C@H]2[C@H]1Cc1cn[nH]c1C2 | None | |||
| 523 | 4106 | 93 | 35S-GTPGammaS | -2 | 5 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 220 | 1 | 1 | 3 | 3.2 | Cc1cccc(c1NC1=NCCCS1)C | None | |||
| 5707 | 4106 | 93 | 35S-GTPGammaS | -2 | 5 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 220 | 1 | 1 | 3 | 3.2 | Cc1cccc(c1NC1=NCCCS1)C | None | |||
| CHEMBL297362 | 4106 | 93 | 35S-GTPGammaS | -2 | 5 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 220 | 1 | 1 | 3 | 3.2 | Cc1cccc(c1NC1=NCCCS1)C | None | |||
| DB11477 | 4106 | 93 | 35S-GTPGammaS | -2 | 5 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 220 | 1 | 1 | 3 | 3.2 | Cc1cccc(c1NC1=NCCCS1)C | None | |||
| 2662 | 11384 | 131 | 3H-CLONIDINE | -41 | 30 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 381 | 3 | 1 | 4 | 3.5 | Cc1ccc(-c2cc(C(F)(F)F)nn2-c2ccc(S(N)(=O)=O)cc2)cc1 | None | |||
| CHEMBL118 | 11384 | 131 | 3H-CLONIDINE | -41 | 30 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 381 | 3 | 1 | 4 | 3.5 | Cc1ccc(-c2cc(C(F)(F)F)nn2-c2ccc(S(N)(=O)=O)cc2)cc1 | None | |||
| 5090 | 15561 | 106 | 3H-CLONIDINE | -1348 | 30 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 314 | 3 | 0 | 4 | 2.6 | CS(=O)(=O)c1ccc(C2=C(c3ccccc3)C(=O)OC2)cc1 | None | |||
| CHEMBL122 | 15561 | 106 | 3H-CLONIDINE | -1348 | 30 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 314 | 3 | 0 | 4 | 2.6 | CS(=O)(=O)c1ccc(C2=C(c3ccccc3)C(=O)OC2)cc1 | None | |||
| 156391 | 46800 | 99 | 3H-CLONIDINE | -1 | 29 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 230 | 3 | 1 | 2 | 3.0 | COc1ccc2cc([C@H](C)C(=O)O)ccc2c1 | None | |||
| CHEMBL1200806 | 46800 | 99 | 3H-CLONIDINE | -1 | 29 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 230 | 3 | 1 | 2 | 3.0 | COc1ccc2cc([C@H](C)C(=O)O)ccc2c1 | None | |||
| CHEMBL154 | 46800 | 99 | 3H-CLONIDINE | -1 | 29 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 230 | 3 | 1 | 2 | 3.0 | COc1ccc2cc([C@H](C)C(=O)O)ccc2c1 | None | |||
| 44603087 | 67792 | 0 | UNDEFINED | -2951 | 6 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 527 | 5 | 1 | 6 | 4.2 | COc1ccc(-c2c(C#N)c(C(=O)NN3CCCCC3)nn2-c2ccccc2I)cc1 | None | |||
| CHEMBL1079079 | 67792 | 0 | UNDEFINED | -2951 | 6 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 527 | 5 | 1 | 6 | 4.2 | COc1ccc(-c2c(C#N)c(C(=O)NN3CCCCC3)nn2-c2ccccc2I)cc1 | None | |||
| CHEMBL1908985 | 67792 | 0 | UNDEFINED | -2951 | 6 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 527 | 5 | 1 | 6 | 4.2 | COc1ccc(-c2c(C#N)c(C(=O)NN3CCCCC3)nn2-c2ccccc2I)cc1 | None | |||
| 10624 | 70300 | 19 | 125I-Clonidine | -776 | 33 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 284 | 5 | 3 | 3 | 1.7 | CN(C)CCc1c[nH]c2cccc(OP(=O)(O)O)c12 | None | |||
| 138543650 | 70300 | 19 | 125I-Clonidine | -776 | 33 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 284 | 5 | 3 | 3 | 1.7 | CN(C)CCc1c[nH]c2cccc(OP(=O)(O)O)c12 | None | |||
| CHEMBL194378 | 70300 | 19 | 125I-Clonidine | -776 | 33 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 284 | 5 | 3 | 3 | 1.7 | CN(C)CCc1c[nH]c2cccc(OP(=O)(O)O)c12 | None | |||
| 2244 | 94233 | 100 | 3H-CLONIDINE | -1 | 27 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 180 | 2 | 1 | 3 | 1.3 | CC(=O)Oc1ccccc1C(=O)O | None | |||
| CHEMBL25 | 94233 | 100 | 3H-CLONIDINE | -1 | 27 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 180 | 2 | 1 | 3 | 1.3 | CC(=O)Oc1ccccc1C(=O)O | None | |||
| 3663 | 99967 | 83 | 3H-CLONIDINE | -288 | 29 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 504 | 0 | 6 | 8 | 5.1 | Cc1cc(O)c2c(=O)c3c(O)cc(O)c4c5c(O)cc(O)c6c(=O)c7c(O)cc(C)c8c1c2c(c34)c(c78)c65 | None | |||
| CHEMBL286494 | 99967 | 83 | 3H-CLONIDINE | -288 | 29 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 504 | 0 | 6 | 8 | 5.1 | Cc1cc(O)c2c(=O)c3c(O)cc(O)c4c5c(O)cc(O)c6c(=O)c7c(O)cc(C)c8c1c2c(c34)c(c78)c65 | None | |||
| 446220 | 133521 | 14 | 3H-CLONIDINE | -1778 | 45 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 303 | 3 | 0 | 5 | 1.9 | COC(=O)[C@H]1[C@@H](OC(=O)c2ccccc2)C[C@@H]2CC[C@H]1N2C | None | |||
| CHEMBL370805 | 133521 | 14 | 3H-CLONIDINE | -1778 | 45 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 303 | 3 | 0 | 5 | 1.9 | COC(=O)[C@H]1[C@@H](OC(=O)c2ccccc2)C[C@@H]2CC[C@H]1N2C | None | |||
| 5280343 | 188275 | 124 | 3H-CLONIDINE | -147 | 32 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 302 | 1 | 5 | 7 | 2.0 | O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12 | None | |||
| CHEMBL1520590 | 188275 | 124 | 3H-CLONIDINE | -147 | 32 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 302 | 1 | 5 | 7 | 2.0 | O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12 | None | |||
| CHEMBL50 | 188275 | 124 | 3H-CLONIDINE | -147 | 32 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 302 | 1 | 5 | 7 | 2.0 | O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12 | None | |||
| 3672 | 192533 | 136 | 3H-CLONIDINE | -1 | 27 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 206 | 4 | 1 | 1 | 3.1 | CC(C)Cc1ccc(C(C)C(=O)O)cc1 | None | |||
| CHEMBL521 | 192533 | 136 | 3H-CLONIDINE | -1 | 27 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 206 | 4 | 1 | 1 | 3.1 | CC(C)Cc1ccc(C(C)C(=O)O)cc1 | None | |||
| 54676228 | 193615 | 112 | 3H-CLONIDINE | -1 | 27 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 331 | 2 | 2 | 5 | 1.6 | CN1C(C(=O)Nc2ccccn2)=C(O)c2ccccc2S1(=O)=O | None | |||
| CHEMBL527 | 193615 | 112 | 3H-CLONIDINE | -1 | 27 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 331 | 2 | 2 | 5 | 1.6 | CN1C(C(=O)Nc2ccccn2)=C(O)c2ccccc2S1(=O)=O | None | |||
| 4495 | 196535 | 92 | 3H-CLONIDINE | -1 | 29 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 308 | 5 | 1 | 5 | 2.8 | CS(=O)(=O)Nc1ccc([N+](=O)[O-])cc1Oc1ccccc1 | None | |||
| CHEMBL56367 | 196535 | 92 | 3H-CLONIDINE | -1 | 29 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 308 | 5 | 1 | 5 | 2.8 | CS(=O)(=O)Nc1ccc([N+](=O)[O-])cc1Oc1ccccc1 | None | |||
| 54677470 | 200551 | 115 | 3H-CLONIDINE | -1 | 29 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 351 | 2 | 2 | 6 | 2.0 | Cc1cnc(NC(=O)C2=C(O)c3ccccc3S(=O)(=O)N2C)s1 | None | |||
| CHEMBL1256873 | 200551 | 115 | 3H-CLONIDINE | -1 | 29 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 351 | 2 | 2 | 6 | 2.0 | Cc1cnc(NC(=O)C2=C(O)c3ccccc3S(=O)(=O)N2C)s1 | None | |||
| CHEMBL599 | 200551 | 115 | 3H-CLONIDINE | -1 | 29 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 351 | 2 | 2 | 6 | 2.0 | Cc1cnc(NC(=O)C2=C(O)c3ccccc3S(=O)(=O)N2C)s1 | None | |||
| 5281600 | 203025 | 92 | 3H-CLONIDINE | -275 | 33 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 538 | 3 | 6 | 10 | 5.1 | O=c1cc(-c2ccc(O)c(-c3c(O)cc(O)c4c(=O)cc(-c5ccc(O)cc5)oc34)c2)oc2cc(O)cc(O)c12 | None | |||
| CHEMBL63354 | 203025 | 92 | 3H-CLONIDINE | -275 | 33 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 538 | 3 | 6 | 10 | 5.1 | O=c1cc(-c2ccc(O)c(-c3c(O)cc(O)c4c(=O)cc(-c5ccc(O)cc5)oc34)c2)oc2cc(O)cc(O)c12 | None | |||
| 4054 | 205501 | 72 | 125I-Clonidine | -1 | 36 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 179 | 0 | 1 | 1 | 2.7 | CC12CC3CC(C)(C1)CC(N)(C3)C2 | None | |||
| CHEMBL1699 | 205501 | 72 | 125I-Clonidine | -1 | 36 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 179 | 0 | 1 | 1 | 2.7 | CC12CC3CC(C)(C1)CC(N)(C3)C2 | None | |||
| CHEMBL807 | 205501 | 72 | 125I-Clonidine | -1 | 36 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 179 | 0 | 1 | 1 | 2.7 | CC12CC3CC(C)(C1)CC(N)(C3)C2 | None | |||
| 119607 | 206203 | 113 | 3H-CLONIDINE | -97 | 27 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 314 | 3 | 1 | 4 | 3.0 | Cc1onc(-c2ccccc2)c1-c1ccc(S(N)(=O)=O)cc1 | None | |||
| CHEMBL865 | 206203 | 113 | 3H-CLONIDINE | -97 | 27 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 314 | 3 | 1 | 4 | 3.0 | Cc1onc(-c2ccccc2)c1-c1ccc(S(N)(=O)=O)cc1 | None | |||
| 11954224 | 215953 | 0 | 3H-CLONIDINE | -4168 | 58 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 581 | 4 | 3 | 6 | 2.0 | CC1(C(=O)N2C(C(=O)N3CCCC3C2(O1)O)CC4=CC=CC=C4)NC(=O)C5CN(C6CC7=CNC8=CC=CC(=C78)C6=C5)C | None | |||
| None | 215993 | 0 | 3H-RAUWOLSCINE | -1 | 28 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 329 | 2 | 0 | 4 | 3.6 | CC1=NC=CN1CC2CCC3=C(C2=O)C4=CC=CC=C4N3C.Cl | None | |||
| 25137849 | 216179 | 0 | 3H-CLONIDINE | 1 | 40 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 165 | 3 | 2 | 2 | 1.3 | CC(C(C1=CC=CC=C1)O)NC | None | |||
| 71290 | 216179 | 0 | 3H-CLONIDINE | 1 | 40 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 165 | 3 | 2 | 2 | 1.3 | CC(C(C1=CC=CC=C1)O)NC | None | |||
| None | 216311 | 0 | 3H-CLONIDINE | -1 | 33 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 240 | 7 | 4 | 6 | -0.8 | C(C(C(=O)O)N)SSCC(C(=O)O)N | None | |||
| None | 216312 | 0 | 3H-CLONIDINE | -1 | 33 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 149 | 4 | 2 | 3 | 0.2 | CSCCC(C(=O)O)N | None | |||
| None | 216313 | 0 | 3H-CLONIDINE | -1 | 33 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 135 | 3 | 3 | 3 | -0.3 | C(CS)C(C(=O)O)N | None | |||
| None | 216314 | 0 | 3H-CLONIDINE | -1 | 33 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 121 | 2 | 3 | 3 | -0.7 | C(C(C(=O)O)N)S | None | |||
| None | 216315 | 0 | 3H-CLONIDINE | -1 | 28 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 117 | 0 | 1 | 3 | -0.0 | C1CSC(=O)C1N | None | |||
| None | 216316 | 0 | 3H-CLONIDINE | -1 | 39 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 153 | 3 | 3 | 3 | -1.4 | C(C(C(=O)O)N)S(=O)O | None | |||
| None | 216317 | 0 | 3H-CLONIDINE | -1 | 38 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 169 | 3 | 3 | 4 | -1.7 | C(C(C(=O)O)N)S(=O)(=O)O | None | |||
| None | 216318 | 0 | 3H-CLONIDINE | -1 | 30 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 183 | 4 | 3 | 4 | -1.3 | C(CS(=O)(=O)O)C(C(=O)O)N | None | |||
| None | 216327 | 0 | 3H-CLONIDINE | -16 | 28 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 536 | 11 | 1 | 4 | 9.0 | CC(C)C(=O)C12C(=O)C(=C(C(C1=O)(CC(C2(C)CCC=C(C)C)CC=C(C)C)CC=C(C)C)O)CC=C(C)C | None | |||
| 4978 | 216328 | 0 | 3H-CLONIDINE | -16 | 28 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 520 | 1 | 7 | 9 | 4.3 | CC1=CC(=C2C3=C1C4=C5C(=C(C=C4CO)O)C(=O)C6=C(C=C(C7=C6C5=C3C8=C7C(=CC(=C8C2=O)O)O)O)O)O | None | |||
| None | 216329 | 0 | 3H-CLONIDINE | -2 | 28 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 464 | 4 | 8 | 12 | -0.6 | C1=CC(=C(C=C1C2=C(C(=C3C(=CC(=O)C=C3O2)O)O)OC4C(C(C(C(O4)CO)O)O)O)O)O | None | |||
| None | 216331 | 0 | 3H-CLONIDINE | -1 | 28 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 448 | 3 | 7 | 11 | 0.4 | CC1C(C(C(C(O1)OC2=C(OC3=CC(=O)C=C(C3=C2O)O)C4=CC(=C(C=C4)O)O)O)O)O | None | |||
| None | 216342 | 0 | 3H-RX821002 | -1862 | 19 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 246 | 2 | 1 | 4 | 1.6 | CCCN1CCCC2C1CC3=CN=C(N=C3C2)N | None | |||
| 135269 | 216389 | 0 | 3H-CLONIDINE | -1 | 29 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 222 | 5 | 1 | 3 | 2.5 | CCCCC(=O)OC1=CC=CC=C1C(=O)O | None | |||
| 23681059 | 216390 | 0 | 3H-CLONIDINE | -1 | 28 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 230 | 3 | 1 | 2 | 3.0 | CC(C1=CC2=C(C=C1)C=C(C=C2)OC)C(=O)O | None | |||
| 5018304 | 216391 | 0 | 3H-CLONIDINE | -1 | 28 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 317 | 4 | 1 | 3 | 0.0 | C1=CC=C(C(=C1)CC(=O)[O-])NC2=C(C=CC=C2Cl)Cl.[Na+] | None | |||
| 84003 | 216392 | 0 | 3H-CLONIDINE | -1 | 27 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 376 | 6 | 5 | 7 | -0.0 | C1CN2C(=CC=C2C(=O)C3=CC=CC=C3)C1C(=O)O.C(C(CO)(CO)N)O | None | |||
| 123619 | 216393 | 0 | 3H-CLONIDINE | -1412 | 26 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 358 | 3 | 0 | 4 | 4.2 | CC1=NC=C(C=C1)C2=NC=C(C=C2C3=CC=C(C=C3)S(=O)(=O)C)Cl | None | |||
| 119828 | 216394 | 0 | 3H-CLONIDINE | -1 | 29 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 370 | 5 | 1 | 5 | 3.5 | CCC(=O)NS(=O)(=O)C1=CC=C(C=C1)C2=C(ON=C2C3=CC=CC=C3)C | None | |||
| None | 216395 | 0 | 3H-CLONIDINE | -7 | 28 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 517 | 8 | 2 | 5 | 5.2 | CC1=C(C2=C(N1C(=O)C3=CC=C(C=C3)Cl)C=CC(=C2)OC)CC(=O)NCCC4=CC=C(C=C4)NC(=O)C | None | |||
| None | 216489 | 0 | 3H-CLONIDINE | -4570 | 27 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 347 | 6 | 0 | 3 | 5.0 | CC(=O)N(CC1=CC=CC=C1OC)C2=CC=CC=C2OC3=CC=CC=C3 | None | |||
| 115237 | 55585 | 119 | 3H-RAUWOLSCINE | -29 | 54 | Human | 8.0 | pKi | = | 8.0 | Binding | PDSP KiDatabase | 426 | 4 | 1 | 7 | 3.1 | Cc1nc2n(c(=O)c1CCN1CCC(c3noc4cc(F)ccc34)CC1)CCCC2O | None | |||
| CHEMBL1621 | 55585 | 119 | 3H-RAUWOLSCINE | -29 | 54 | Human | 8.0 | pKi | = | 8.0 | Binding | PDSP KiDatabase | 426 | 4 | 1 | 7 | 3.1 | Cc1nc2n(c(=O)c1CCN1CCC(c3noc4cc(F)ccc34)CC1)CCCC2O | None | |||
| 11293787 | 148213 | 0 | UNDEFINED | 27 | 3 | Human | 8.0 | pKi | = | 8.0 | Binding | PDSP KiDatabase | 447 | 6 | 0 | 5 | 5.8 | COc1cc2c(cc1OC)CN(Cc1ccc(OC)c3oc(-c4ccccc4F)cc13)CC2 | None | |||
| CHEMBL393597 | 148213 | 0 | UNDEFINED | 27 | 3 | Human | 8.0 | pKi | = | 8.0 | Binding | PDSP KiDatabase | 447 | 6 | 0 | 5 | 5.8 | COc1cc2c(cc1OC)CN(Cc1ccc(OC)c3oc(-c4ccccc4F)cc13)CC2 | None | |||
| 1343 | 1889 | 62 | 3H-MK912 | -251 | 9 | Human | 6.0 | pKi | = | 6.0 | Binding | PDSP KiDatabase | 245 | 2 | 2 | 1 | 1.3 | O=C(Cc1c(Cl)cccc1Cl)N=C(N)N | None | |||
| 3519 | 1889 | 62 | 3H-MK912 | -251 | 9 | Human | 6.0 | pKi | = | 6.0 | Binding | PDSP KiDatabase | 245 | 2 | 2 | 1 | 1.3 | O=C(Cc1c(Cl)cccc1Cl)N=C(N)N | None | |||
| 522 | 1889 | 62 | 3H-MK912 | -251 | 9 | Human | 6.0 | pKi | = | 6.0 | Binding | PDSP KiDatabase | 245 | 2 | 2 | 1 | 1.3 | O=C(Cc1c(Cl)cccc1Cl)N=C(N)N | None | |||
| CHEMBL862 | 1889 | 62 | 3H-MK912 | -251 | 9 | Human | 6.0 | pKi | = | 6.0 | Binding | PDSP KiDatabase | 245 | 2 | 2 | 1 | 1.3 | O=C(Cc1c(Cl)cccc1Cl)N=C(N)N | None | |||
| DB01018 | 1889 | 62 | 3H-MK912 | -251 | 9 | Human | 6.0 | pKi | = | 6.0 | Binding | PDSP KiDatabase | 245 | 2 | 2 | 1 | 1.3 | O=C(Cc1c(Cl)cccc1Cl)N=C(N)N | None | |||
| 1615 | 167791 | 24 | 3H-CLONIDINE | -3 | 44 | Human | 6.0 | pKi | = | 6.0 | Binding | PDSP KiDatabase | 193 | 3 | 1 | 3 | 1.6 | CNC(C)Cc1ccc2c(c1)OCO2 | None | |||
| CHEMBL43048 | 167791 | 24 | 3H-CLONIDINE | -3 | 44 | Human | 6.0 | pKi | = | 6.0 | Binding | PDSP KiDatabase | 193 | 3 | 1 | 3 | 1.6 | CNC(C)Cc1ccc2c(c1)OCO2 | None | |||
| 2726 | 919 | 68 | 3H-RAUWOLSCINE | -67 | 72 | North American opossum | 6.9 | pKi | = | 6.9 | Binding | PDSP KiDatabase | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | None | |||
| 621 | 919 | 68 | 3H-RAUWOLSCINE | -67 | 72 | North American opossum | 6.9 | pKi | = | 6.9 | Binding | PDSP KiDatabase | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | None | |||
| 83 | 919 | 68 | 3H-RAUWOLSCINE | -67 | 72 | North American opossum | 6.9 | pKi | = | 6.9 | Binding | PDSP KiDatabase | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | None | |||
| CHEMBL71 | 919 | 68 | 3H-RAUWOLSCINE | -67 | 72 | North American opossum | 6.9 | pKi | = | 6.9 | Binding | PDSP KiDatabase | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | None | |||
| DB00477 | 919 | 68 | 3H-RAUWOLSCINE | -67 | 72 | North American opossum | 6.9 | pKi | = | 6.9 | Binding | PDSP KiDatabase | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | None | |||
| 1220 | 187 | 55 | 3H-RAUWOLSCINE | -93 | 44 | Human | 6.9 | pKi | = | 6.9 | Binding | PDSP KiDatabase | 247 | 5 | 1 | 2 | 3.4 | CCCN(C1CCc2c(C1)c(O)ccc2)CCC | None | |||
| 31 | 187 | 55 | 3H-RAUWOLSCINE | -93 | 44 | Human | 6.9 | pKi | = | 6.9 | Binding | PDSP KiDatabase | 247 | 5 | 1 | 2 | 3.4 | CCCN(C1CCc2c(C1)c(O)ccc2)CCC | None | |||
| 7 | 187 | 55 | 3H-RAUWOLSCINE | -93 | 44 | Human | 6.9 | pKi | = | 6.9 | Binding | PDSP KiDatabase | 247 | 5 | 1 | 2 | 3.4 | CCCN(C1CCc2c(C1)c(O)ccc2)CCC | None | |||
| CHEMBL56 | 187 | 55 | 3H-RAUWOLSCINE | -93 | 44 | Human | 6.9 | pKi | = | 6.9 | Binding | PDSP KiDatabase | 247 | 5 | 1 | 2 | 3.4 | CCCN(C1CCc2c(C1)c(O)ccc2)CCC | None | |||
| 135409468 | 2035 | 69 | 3H-CLONIDINE | -41 | 39 | Human | 6.9 | pKi | = | 6.9 | Binding | PDSP KiDatabase | 312 | 1 | 2 | 4 | 1.7 | Clc1ccc2c(c1)NC(=c1c(=N2)cccc1)N1CCNCC1 | None | |||
| 333 | 2035 | 69 | 3H-CLONIDINE | -41 | 39 | Human | 6.9 | pKi | = | 6.9 | Binding | PDSP KiDatabase | 312 | 1 | 2 | 4 | 1.7 | Clc1ccc2c(c1)NC(=c1c(=N2)cccc1)N1CCNCC1 | None | |||
| CHEMBL845 | 2035 | 69 | 3H-CLONIDINE | -41 | 39 | Human | 6.9 | pKi | = | 6.9 | Binding | PDSP KiDatabase | 312 | 1 | 2 | 4 | 1.7 | Clc1ccc2c(c1)NC(=c1c(=N2)cccc1)N1CCNCC1 | None | |||
| 186 | 1807 | 52 | 3H-CLONIDINE | -194 | 17 | Human | 5.9 | pKi | = | 5.9 | Binding | PDSP KiDatabase | 295 | 5 | 1 | 2 | 3.7 | OC(c1ccccc1)C1CCN(CC1)CCc1ccccc1 | None | |||
| 71781 | 1807 | 52 | 3H-CLONIDINE | -194 | 17 | Human | 5.9 | pKi | = | 5.9 | Binding | PDSP KiDatabase | 295 | 5 | 1 | 2 | 3.7 | OC(c1ccccc1)C1CCN(CC1)CCc1ccccc1 | None | |||
| CHEMBL18972 | 1807 | 52 | 3H-CLONIDINE | -194 | 17 | Human | 5.9 | pKi | = | 5.9 | Binding | PDSP KiDatabase | 295 | 5 | 1 | 2 | 3.7 | OC(c1ccccc1)C1CCN(CC1)CCc1ccccc1 | None | |||
| 164512323 | 216031 | 0 | 3H-RAUWOLSCINE | 5 | 5 | Human | 7.9 | pKi | = | 7.9 | Binding | PDSP KiDatabase | 352 | 1 | 1 | 4 | 3.2 | CC1C2CN3CCC4=C(C3CC2C(=CO1)C(=O)OC)NC5=CC=CC=C45 | None | |||
| 6419959 | 216031 | 0 | 3H-RAUWOLSCINE | 5 | 5 | Human | 7.9 | pKi | = | 7.9 | Binding | PDSP KiDatabase | 352 | 1 | 1 | 4 | 3.2 | CC1C2CN3CCC4=C(C3CC2C(=CO1)C(=O)OC)NC5=CC=CC=C45 | None | |||
| 2142 | 3096 | 58 | 3H-RAUWOLSCINE | -7 | 36 | Human | 7.9 | pKi | = | 7.9 | Binding | PDSP KiDatabase | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | None | |||
| 4920903 | 3096 | 58 | 3H-RAUWOLSCINE | -7 | 36 | Human | 7.9 | pKi | = | 7.9 | Binding | PDSP KiDatabase | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | None | |||
| 502 | 3096 | 58 | 3H-RAUWOLSCINE | -7 | 36 | Human | 7.9 | pKi | = | 7.9 | Binding | PDSP KiDatabase | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | None | |||
| 5775 | 3096 | 58 | 3H-RAUWOLSCINE | -7 | 36 | Human | 7.9 | pKi | = | 7.9 | Binding | PDSP KiDatabase | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | None | |||
| CHEMBL597 | 3096 | 58 | 3H-RAUWOLSCINE | -7 | 36 | Human | 7.9 | pKi | = | 7.9 | Binding | PDSP KiDatabase | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | None | |||
| DB00692 | 3096 | 58 | 3H-RAUWOLSCINE | -7 | 36 | Human | 7.9 | pKi | = | 7.9 | Binding | PDSP KiDatabase | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | None | |||
| 2402 | 3370 | 62 | 3H-RX821002 | -5 | 24 | Human | 5.9 | pKi | = | 5.9 | Binding | PDSP KiDatabase | 260 | 7 | 1 | 2 | 3.5 | CCCN(CCC)CCc1cccc2c1CC(=N2)O | None | |||
| 5095 | 3370 | 62 | 3H-RX821002 | -5 | 24 | Human | 5.9 | pKi | = | 5.9 | Binding | PDSP KiDatabase | 260 | 7 | 1 | 2 | 3.5 | CCCN(CCC)CCc1cccc2c1CC(=N2)O | None | |||
| 7295 | 3370 | 62 | 3H-RX821002 | -5 | 24 | Human | 5.9 | pKi | = | 5.9 | Binding | PDSP KiDatabase | 260 | 7 | 1 | 2 | 3.5 | CCCN(CCC)CCc1cccc2c1CC(=N2)O | None | |||
| CHEMBL589 | 3370 | 62 | 3H-RX821002 | -5 | 24 | Human | 5.9 | pKi | = | 5.9 | Binding | PDSP KiDatabase | 260 | 7 | 1 | 2 | 3.5 | CCCN(CCC)CCc1cccc2c1CC(=N2)O | None | |||
| DB00268 | 3370 | 62 | 3H-RX821002 | -5 | 24 | Human | 5.9 | pKi | = | 5.9 | Binding | PDSP KiDatabase | 260 | 7 | 1 | 2 | 3.5 | CCCN(CCC)CCc1cccc2c1CC(=N2)O | None | |||
| 1212 | 1662 | 50 | 3H-RAUWOLSCINE | -54 | 65 | Human | 6.9 | pKi | = | 6.9 | Binding | PDSP KiDatabase | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | None | |||
| 204 | 1662 | 50 | 3H-RAUWOLSCINE | -54 | 65 | Human | 6.9 | pKi | = | 6.9 | Binding | PDSP KiDatabase | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | None | |||
| 3372 | 1662 | 50 | 3H-RAUWOLSCINE | -54 | 65 | Human | 6.9 | pKi | = | 6.9 | Binding | PDSP KiDatabase | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | None | |||
| CHEMBL726 | 1662 | 50 | 3H-RAUWOLSCINE | -54 | 65 | Human | 6.9 | pKi | = | 6.9 | Binding | PDSP KiDatabase | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | None | |||
| DB00623 | 1662 | 50 | 3H-RAUWOLSCINE | -54 | 65 | Human | 6.9 | pKi | = | 6.9 | Binding | PDSP KiDatabase | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | None | |||
| 25137849 | 216179 | 0 | 3H-CLONIDINE | 1 | 40 | Human | 5.9 | pKi | = | 5.9 | Binding | PDSP KiDatabase | 165 | 3 | 2 | 2 | 1.3 | CC(C(C1=CC=CC=C1)O)NC | None | |||
| 71290 | 216179 | 0 | 3H-CLONIDINE | 1 | 40 | Human | 5.9 | pKi | = | 5.9 | Binding | PDSP KiDatabase | 165 | 3 | 2 | 2 | 1.3 | CC(C(C1=CC=CC=C1)O)NC | None | |||
| 7153 | 98020 | 77 | 3H-CLONIDINE | -6 | 34 | Human | 6.9 | pKi | = | 6.9 | Binding | PDSP KiDatabase | 214 | 3 | 1 | 2 | 2.5 | Cc1cc(Cl)ccc1OC(C)C(=O)O | None | |||
| CHEMBL272942 | 98020 | 77 | 3H-CLONIDINE | -6 | 34 | Human | 6.9 | pKi | = | 6.9 | Binding | PDSP KiDatabase | 214 | 3 | 1 | 2 | 2.5 | Cc1cc(Cl)ccc1OC(C)C(=O)O | None | |||
| 3658 | 4107 | 53 | 35S-GTPGammaS | -17 | 8 | Human | 6.9 | pKi | = | 6.9 | Binding | PDSP KiDatabase | 244 | 2 | 1 | 2 | 3.1 | Cc1cc(cc(c1CC1=NCCN1)C)C(C)(C)C | None | |||
| 517 | 4107 | 53 | 35S-GTPGammaS | -17 | 8 | Human | 6.9 | pKi | = | 6.9 | Binding | PDSP KiDatabase | 244 | 2 | 1 | 2 | 3.1 | Cc1cc(cc(c1CC1=NCCN1)C)C(C)(C)C | None | |||
| 5709 | 4107 | 53 | 35S-GTPGammaS | -17 | 8 | Human | 6.9 | pKi | = | 6.9 | Binding | PDSP KiDatabase | 244 | 2 | 1 | 2 | 3.1 | Cc1cc(cc(c1CC1=NCCN1)C)C(C)(C)C | None | |||
| CHEMBL312448 | 4107 | 53 | 35S-GTPGammaS | -17 | 8 | Human | 6.9 | pKi | = | 6.9 | Binding | PDSP KiDatabase | 244 | 2 | 1 | 2 | 3.1 | Cc1cc(cc(c1CC1=NCCN1)C)C(C)(C)C | None | |||
| DB06694 | 4107 | 53 | 35S-GTPGammaS | -17 | 8 | Human | 6.9 | pKi | = | 6.9 | Binding | PDSP KiDatabase | 244 | 2 | 1 | 2 | 3.1 | Cc1cc(cc(c1CC1=NCCN1)C)C(C)(C)C | None | |||
| 122211 | 462 | 0 | 3H-RAUWOLSCINE | -9 | 6 | Human | 7.9 | pKi | = | 7.9 | Binding | PDSP KiDatabase | 406 | 5 | 0 | 5 | 3.6 | COc1ccccc1N1CCN(CC1)CCC1C(=O)c2ccccc2C(C1=O)(C)C | None | |||
| 524 | 462 | 0 | 3H-RAUWOLSCINE | -9 | 6 | Human | 7.9 | pKi | = | 7.9 | Binding | PDSP KiDatabase | 406 | 5 | 0 | 5 | 3.6 | COc1ccccc1N1CCN(CC1)CCC1C(=O)c2ccccc2C(C1=O)(C)C | None | |||
| 46780481 | 107531 | 20 | 3H-RAUWOLSCINE | -72 | 53 | Human | 7.9 | pKi | = | 7.9 | Binding | PDSP KiDatabase | 285 | 0 | 0 | 2 | 4.3 | CN1CC2c3ccccc3Oc3ccc(Cl)cc3C2C1 | None | |||
| 9903970 | 107531 | 20 | 3H-RAUWOLSCINE | -72 | 53 | Human | 7.9 | pKi | = | 7.9 | Binding | PDSP KiDatabase | 285 | 0 | 0 | 2 | 4.3 | CN1CC2c3ccccc3Oc3ccc(Cl)cc3C2C1 | None | |||
| CHEMBL3187365 | 107531 | 20 | 3H-RAUWOLSCINE | -72 | 53 | Human | 7.9 | pKi | = | 7.9 | Binding | PDSP KiDatabase | 285 | 0 | 0 | 2 | 4.3 | CN1CC2c3ccccc3Oc3ccc(Cl)cc3C2C1 | None | |||
| CHEMBL3544974 | 107531 | 20 | 3H-RAUWOLSCINE | -72 | 53 | Human | 7.9 | pKi | = | 7.9 | Binding | PDSP KiDatabase | 285 | 0 | 0 | 2 | 4.3 | CN1CC2c3ccccc3Oc3ccc(Cl)cc3C2C1 | None | |||
| None | 216240 | 0 | 3H-RX821002 | 47 | 2 | Rat | 7.9 | pKi | = | 7.9 | Binding | PDSP KiDatabase | 457 | 7 | 1 | 3 | 4.9 | CCC(=O)NC1=C(C=C(C=C1C)C(=O)N2CCC(CC2)N(C)CCC3=CC=CC=C3)C.Cl | None | |||
| 2803 | 955 | 58 | 35S-GTPGammaS | -4 | 19 | Human | 6.9 | pKi | = | 6.9 | Binding | PDSP KiDatabase | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | None | |||
| 516 | 955 | 58 | 35S-GTPGammaS | -4 | 19 | Human | 6.9 | pKi | = | 6.9 | Binding | PDSP KiDatabase | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | None | |||
| 704 | 955 | 58 | 35S-GTPGammaS | -4 | 19 | Human | 6.9 | pKi | = | 6.9 | Binding | PDSP KiDatabase | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | None | |||
| CHEMBL134 | 955 | 58 | 35S-GTPGammaS | -4 | 19 | Human | 6.9 | pKi | = | 6.9 | Binding | PDSP KiDatabase | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | None | |||
| DB00575 | 955 | 58 | 35S-GTPGammaS | -4 | 19 | Human | 6.9 | pKi | = | 6.9 | Binding | PDSP KiDatabase | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | None | |||
| 484 | 2858 | 51 | 35S-GTPGammaS | -2 | 35 | Human | 5.9 | pKi | = | 5.9 | Binding | PDSP KiDatabase | 169 | 2 | 4 | 4 | 0.1 | NCC(c1ccc(c(c1)O)O)O | None | |||
| 951 | 2858 | 51 | 35S-GTPGammaS | -2 | 35 | Human | 5.9 | pKi | = | 5.9 | Binding | PDSP KiDatabase | 169 | 2 | 4 | 4 | 0.1 | NCC(c1ccc(c(c1)O)O)O | None | |||
| CHEMBL432 | 2858 | 51 | 35S-GTPGammaS | -2 | 35 | Human | 5.9 | pKi | = | 5.9 | Binding | PDSP KiDatabase | 169 | 2 | 4 | 4 | 0.1 | NCC(c1ccc(c(c1)O)O)O | None | |||
| 67409 | 216034 | 0 | 3H-RAUWOLSCINE | -2 | 3 | Human | 7.9 | pKi | = | 7.9 | Binding | PDSP KiDatabase | 235 | 2 | 0 | 1 | 3.9 | C=CCN1CC2=CC=CC=C2C3=CC=CC=C3C1 | None | |||
| 8966 | 216034 | 0 | 3H-RAUWOLSCINE | -2 | 3 | Human | 7.9 | pKi | = | 7.9 | Binding | PDSP KiDatabase | 235 | 2 | 0 | 1 | 3.9 | C=CCN1CC2=CC=CC=C2C3=CC=CC=C3C1 | None | |||
| None | 216035 | 0 | 3H-RAUWOLSCINE | -1 | 3 | Human | 7.9 | pKi | = | 7.9 | Binding | PDSP KiDatabase | 200 | 3 | 1 | 1 | 2.8 | CC1=C(C(=CC=C1)C)CCC2=CN=CN2 | None | |||
| 4209 | 3163 | 75 | 3H-CLONIDINE | -181 | 33 | Human | 7.8 | pKi | = | 7.8 | Binding | PDSP KiDatabase | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | None | |||
| 4893 | 3163 | 75 | 3H-CLONIDINE | -181 | 33 | Human | 7.8 | pKi | = | 7.8 | Binding | PDSP KiDatabase | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | None | |||
| 503 | 3163 | 75 | 3H-CLONIDINE | -181 | 33 | Human | 7.8 | pKi | = | 7.8 | Binding | PDSP KiDatabase | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | None | |||
| 5385 | 3163 | 75 | 3H-CLONIDINE | -181 | 33 | Human | 7.8 | pKi | = | 7.8 | Binding | PDSP KiDatabase | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | None | |||
| CHEMBL2 | 3163 | 75 | 3H-CLONIDINE | -181 | 33 | Human | 7.8 | pKi | = | 7.8 | Binding | PDSP KiDatabase | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | None | |||
| DB00457 | 3163 | 75 | 3H-CLONIDINE | -181 | 33 | Human | 7.8 | pKi | = | 7.8 | Binding | PDSP KiDatabase | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | None | |||
| 185 | 4006 | 60 | 3H-CLONIDINE | -4466 | 37 | Human | 5.8 | pKi | = | 5.8 | Binding | PDSP KiDatabase | 373 | 7 | 1 | 4 | 3.8 | COc1cccc(c1OC)[C@@H](C1CCN(CC1)CCc1ccc(cc1)F)O | None | |||
| 5311271 | 4006 | 60 | 3H-CLONIDINE | -4466 | 37 | Human | 5.8 | pKi | = | 5.8 | Binding | PDSP KiDatabase | 373 | 7 | 1 | 4 | 3.8 | COc1cccc(c1OC)[C@@H](C1CCN(CC1)CCc1ccc(cc1)F)O | None | |||
| CHEMBL74355 | 4006 | 60 | 3H-CLONIDINE | -4466 | 37 | Human | 5.8 | pKi | = | 5.8 | Binding | PDSP KiDatabase | 373 | 7 | 1 | 4 | 3.8 | COc1cccc(c1OC)[C@@H](C1CCN(CC1)CCc1ccc(cc1)F)O | None | |||
| DB16351 | 4006 | 60 | 3H-CLONIDINE | -4466 | 37 | Human | 5.8 | pKi | = | 5.8 | Binding | PDSP KiDatabase | 373 | 7 | 1 | 4 | 3.8 | COc1cccc(c1OC)[C@@H](C1CCN(CC1)CCc1ccc(cc1)F)O | None | |||
| 4209 | 3163 | 75 | 3H-RAUWOLSCINE | -181 | 33 | Human | 7.8 | pKi | = | 7.8 | Binding | PDSP KiDatabase | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | None | |||
| 4893 | 3163 | 75 | 3H-RAUWOLSCINE | -181 | 33 | Human | 7.8 | pKi | = | 7.8 | Binding | PDSP KiDatabase | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | None | |||
| 503 | 3163 | 75 | 3H-RAUWOLSCINE | -181 | 33 | Human | 7.8 | pKi | = | 7.8 | Binding | PDSP KiDatabase | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | None | |||
| 5385 | 3163 | 75 | 3H-RAUWOLSCINE | -181 | 33 | Human | 7.8 | pKi | = | 7.8 | Binding | PDSP KiDatabase | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | None | |||
| CHEMBL2 | 3163 | 75 | 3H-RAUWOLSCINE | -181 | 33 | Human | 7.8 | pKi | = | 7.8 | Binding | PDSP KiDatabase | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | None | |||
| DB00457 | 3163 | 75 | 3H-RAUWOLSCINE | -181 | 33 | Human | 7.8 | pKi | = | 7.8 | Binding | PDSP KiDatabase | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | None | |||
| 68602 | 205126 | 80 | 35S-GTPGammaS | -4 | 7 | Human | 7.8 | pKi | = | 7.8 | Binding | PDSP KiDatabase | 200 | 2 | 1 | 1 | 3.2 | Cc1cccc(C(C)c2c[nH]cn2)c1C | None | |||
| CHEMBL77921 | 205126 | 80 | 35S-GTPGammaS | -4 | 7 | Human | 7.8 | pKi | = | 7.8 | Binding | PDSP KiDatabase | 200 | 2 | 1 | 1 | 3.2 | Cc1cccc(C(C)c2c[nH]cn2)c1C | None | |||
| 21830793 | 91835 | 10 | 3H-8-OH-DPAT | -102 | 45 | Bovine | 7.8 | pKi | = | 7.8 | Binding | PDSP KiDatabase | 373 | 7 | 0 | 8 | 0.6 | COc1ccccc1N1CCN(CCCCn2ncc(=O)n(C)c2=O)CC1 | None | |||
| CHEMBL2413154 | 91835 | 10 | 3H-8-OH-DPAT | -102 | 45 | Bovine | 7.8 | pKi | = | 7.8 | Binding | PDSP KiDatabase | 373 | 7 | 0 | 8 | 0.6 | COc1ccccc1N1CCN(CCCCn2ncc(=O)n(C)c2=O)CC1 | None | |||
| 1223 | 953 | 41 | 3H-RAUWOLSCINE | -85 | 11 | Human | 7.8 | pKi | = | 7.8 | Binding | PDSP KiDatabase | 308 | 6 | 2 | 3 | 3.2 | Clc1ccc(cc1)CN=C(SCCCc1cnc[nH]1)N | None | |||
| 2790 | 953 | 41 | 3H-RAUWOLSCINE | -85 | 11 | Human | 7.8 | pKi | = | 7.8 | Binding | PDSP KiDatabase | 308 | 6 | 2 | 3 | 3.2 | Clc1ccc(cc1)CN=C(SCCCc1cnc[nH]1)N | None | |||
| CHEMBL14690 | 953 | 41 | 3H-RAUWOLSCINE | -85 | 11 | Human | 7.8 | pKi | = | 7.8 | Binding | PDSP KiDatabase | 308 | 6 | 2 | 3 | 3.2 | Clc1ccc(cc1)CN=C(SCCCc1cnc[nH]1)N | None | |||
| 103 | 4153 | 61 | 3H-RAUWOLSCINE | -33 | 53 | Human | 6.8 | pKi | = | 6.8 | Binding | PDSP KiDatabase | 331 | 4 | 0 | 3 | 4.9 | CN(CCOC1=Cc2ccccc2Sc2c1cc(Cl)cc2)C | None | |||
| 2875 | 4153 | 61 | 3H-RAUWOLSCINE | -33 | 53 | Human | 6.8 | pKi | = | 6.8 | Binding | PDSP KiDatabase | 331 | 4 | 0 | 3 | 4.9 | CN(CCOC1=Cc2ccccc2Sc2c1cc(Cl)cc2)C | None | |||
| 5736 | 4153 | 61 | 3H-RAUWOLSCINE | -33 | 53 | Human | 6.8 | pKi | = | 6.8 | Binding | PDSP KiDatabase | 331 | 4 | 0 | 3 | 4.9 | CN(CCOC1=Cc2ccccc2Sc2c1cc(Cl)cc2)C | None | |||
| CHEMBL285802 | 4153 | 61 | 3H-RAUWOLSCINE | -33 | 53 | Human | 6.8 | pKi | = | 6.8 | Binding | PDSP KiDatabase | 331 | 4 | 0 | 3 | 4.9 | CN(CCOC1=Cc2ccccc2Sc2c1cc(Cl)cc2)C | None | |||
| DB09225 | 4153 | 61 | 3H-RAUWOLSCINE | -33 | 53 | Human | 6.8 | pKi | = | 6.8 | Binding | PDSP KiDatabase | 331 | 4 | 0 | 3 | 4.9 | CN(CCOC1=Cc2ccccc2Sc2c1cc(Cl)cc2)C | None | |||
| 133621 | 2012 | 0 | 35S-GTPGammaS | -3 | 5 | Human | 6.8 | pKi | = | 6.8 | Binding | PDSP KiDatabase | 244 | 3 | 0 | 4 | 2.3 | CCn1ccnc1CC1COc2c(O1)cccc2 | None | |||
| 3470 | 2012 | 0 | 35S-GTPGammaS | -3 | 5 | Human | 6.8 | pKi | = | 6.8 | Binding | PDSP KiDatabase | 244 | 3 | 0 | 4 | 2.3 | CCn1ccnc1CC1COc2c(O1)cccc2 | None | |||
| CHEMBL347695 | 2012 | 0 | 35S-GTPGammaS | -3 | 5 | Human | 6.8 | pKi | = | 6.8 | Binding | PDSP KiDatabase | 244 | 3 | 0 | 4 | 2.3 | CCn1ccnc1CC1COc2c(O1)cccc2 | None | |||
| 179 | 400 | 115 | 125I-Clonidine | -40 | 49 | Human | 5.8 | pKi | = | 5.8 | Binding | PDSP KiDatabase | 369 | 7 | 2 | 6 | 1.3 | CCN1CCCC1CNC(=O)c1cc(c(cc1OC)N)S(=O)(=O)CC | None | |||
| 2159 | 400 | 115 | 125I-Clonidine | -40 | 49 | Human | 5.8 | pKi | = | 5.8 | Binding | PDSP KiDatabase | 369 | 7 | 2 | 6 | 1.3 | CCN1CCCC1CNC(=O)c1cc(c(cc1OC)N)S(=O)(=O)CC | None | |||
| 963 | 400 | 115 | 125I-Clonidine | -40 | 49 | Human | 5.8 | pKi | = | 5.8 | Binding | PDSP KiDatabase | 369 | 7 | 2 | 6 | 1.3 | CCN1CCCC1CNC(=O)c1cc(c(cc1OC)N)S(=O)(=O)CC | None | |||
| CHEMBL243712 | 400 | 115 | 125I-Clonidine | -40 | 49 | Human | 5.8 | pKi | = | 5.8 | Binding | PDSP KiDatabase | 369 | 7 | 2 | 6 | 1.3 | CCN1CCCC1CNC(=O)c1cc(c(cc1OC)N)S(=O)(=O)CC | None | |||
| DB06288 | 400 | 115 | 125I-Clonidine | -40 | 49 | Human | 5.8 | pKi | = | 5.8 | Binding | PDSP KiDatabase | 369 | 7 | 2 | 6 | 1.3 | CCN1CCCC1CNC(=O)c1cc(c(cc1OC)N)S(=O)(=O)CC | None | |||
| 162265 | 202274 | 22 | 3H-CLONIDINE | -8 | 43 | Human | 5.8 | pKi | = | 5.8 | Binding | PDSP KiDatabase | 151 | 2 | 2 | 2 | 1.1 | CC(N)C(O)c1ccccc1 | None | |||
| 4786 | 202274 | 22 | 3H-CLONIDINE | -8 | 43 | Human | 5.8 | pKi | = | 5.8 | Binding | PDSP KiDatabase | 151 | 2 | 2 | 2 | 1.1 | CC(N)C(O)c1ccccc1 | None | |||
| CHEMBL61006 | 202274 | 22 | 3H-CLONIDINE | -8 | 43 | Human | 5.8 | pKi | = | 5.8 | Binding | PDSP KiDatabase | 151 | 2 | 2 | 2 | 1.1 | CC(N)C(O)c1ccccc1 | None | |||
| 213 | 3853 | 55 | 125I-Clonidine | -6 | 44 | Human | 6.8 | pKi | = | 6.8 | Binding | PDSP KiDatabase | 371 | 5 | 0 | 6 | 2.4 | Clc1cccc(c1)N1CCN(CC1)CCCn1nc2n(c1=O)cccc2 | None | |||
| 2717 | 3853 | 55 | 125I-Clonidine | -6 | 44 | Human | 6.8 | pKi | = | 6.8 | Binding | PDSP KiDatabase | 371 | 5 | 0 | 6 | 2.4 | Clc1cccc(c1)N1CCN(CC1)CCCn1nc2n(c1=O)cccc2 | None | |||
| 5533 | 3853 | 55 | 125I-Clonidine | -6 | 44 | Human | 6.8 | pKi | = | 6.8 | Binding | PDSP KiDatabase | 371 | 5 | 0 | 6 | 2.4 | Clc1cccc(c1)N1CCN(CC1)CCCn1nc2n(c1=O)cccc2 | None | |||
| CHEMBL621 | 3853 | 55 | 125I-Clonidine | -6 | 44 | Human | 6.8 | pKi | = | 6.8 | Binding | PDSP KiDatabase | 371 | 5 | 0 | 6 | 2.4 | Clc1cccc(c1)N1CCN(CC1)CCCn1nc2n(c1=O)cccc2 | None | |||
| DB00656 | 3853 | 55 | 125I-Clonidine | -6 | 44 | Human | 6.8 | pKi | = | 6.8 | Binding | PDSP KiDatabase | 371 | 5 | 0 | 6 | 2.4 | Clc1cccc(c1)N1CCN(CC1)CCCn1nc2n(c1=O)cccc2 | None | |||
| 1524 | 2181 | 96 | 3H-RAUWOLSCINE | -120 | 52 | Human | 6.8 | pKi | = | 6.8 | Binding | PDSP KiDatabase | 395 | 5 | 1 | 5 | 2.4 | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)cccc2 | None | |||
| 197 | 2181 | 96 | 3H-RAUWOLSCINE | -120 | 52 | Human | 6.8 | pKi | = | 6.8 | Binding | PDSP KiDatabase | 395 | 5 | 1 | 5 | 2.4 | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)cccc2 | None | |||
| 3822 | 2181 | 96 | 3H-RAUWOLSCINE | -120 | 52 | Human | 6.8 | pKi | = | 6.8 | Binding | PDSP KiDatabase | 395 | 5 | 1 | 5 | 2.4 | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)cccc2 | None | |||
| 88 | 2181 | 96 | 3H-RAUWOLSCINE | -120 | 52 | Human | 6.8 | pKi | = | 6.8 | Binding | PDSP KiDatabase | 395 | 5 | 1 | 5 | 2.4 | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)cccc2 | None | |||
| CHEMBL51 | 2181 | 96 | 3H-RAUWOLSCINE | -120 | 52 | Human | 6.8 | pKi | = | 6.8 | Binding | PDSP KiDatabase | 395 | 5 | 1 | 5 | 2.4 | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)cccc2 | None | |||
| DB12465 | 2181 | 96 | 3H-RAUWOLSCINE | -120 | 52 | Human | 6.8 | pKi | = | 6.8 | Binding | PDSP KiDatabase | 395 | 5 | 1 | 5 | 2.4 | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)cccc2 | None | |||
| 3294 | 2006 | 111 | 3H-RX821002 | -16 | 45 | Human | 7.8 | pKi | = | 7.8 | Binding | PDSP KiDatabase | 426 | 8 | 0 | 6 | 4.8 | COc1cc(ccc1OCCCN1CCC(CC1)c1noc2c1ccc(c2)F)C(=O)C | None | |||
| 71360 | 2006 | 111 | 3H-RX821002 | -16 | 45 | Human | 7.8 | pKi | = | 7.8 | Binding | PDSP KiDatabase | 426 | 8 | 0 | 6 | 4.8 | COc1cc(ccc1OCCCN1CCC(CC1)c1noc2c1ccc(c2)F)C(=O)C | None | |||
| 87 | 2006 | 111 | 3H-RX821002 | -16 | 45 | Human | 7.8 | pKi | = | 7.8 | Binding | PDSP KiDatabase | 426 | 8 | 0 | 6 | 4.8 | COc1cc(ccc1OCCCN1CCC(CC1)c1noc2c1ccc(c2)F)C(=O)C | None | |||
| CHEMBL14376 | 2006 | 111 | 3H-RX821002 | -16 | 45 | Human | 7.8 | pKi | = | 7.8 | Binding | PDSP KiDatabase | 426 | 8 | 0 | 6 | 4.8 | COc1cc(ccc1OCCCN1CCC(CC1)c1noc2c1ccc(c2)F)C(=O)C | None | |||
| DB04946 | 2006 | 111 | 3H-RX821002 | -16 | 45 | Human | 7.8 | pKi | = | 7.8 | Binding | PDSP KiDatabase | 426 | 8 | 0 | 6 | 4.8 | COc1cc(ccc1OCCCN1CCC(CC1)c1noc2c1ccc(c2)F)C(=O)C | None | |||
| 3294 | 2006 | 111 | 3H-RX821002 | -16 | 45 | Human | 7.8 | pKi | = | 7.8 | Binding | PDSP KiDatabase | 426 | 8 | 0 | 6 | 4.8 | COc1cc(ccc1OCCCN1CCC(CC1)c1noc2c1ccc(c2)F)C(=O)C | None | |||
| 71360 | 2006 | 111 | 3H-RX821002 | -16 | 45 | Human | 7.8 | pKi | = | 7.8 | Binding | PDSP KiDatabase | 426 | 8 | 0 | 6 | 4.8 | COc1cc(ccc1OCCCN1CCC(CC1)c1noc2c1ccc(c2)F)C(=O)C | None | |||
| 87 | 2006 | 111 | 3H-RX821002 | -16 | 45 | Human | 7.8 | pKi | = | 7.8 | Binding | PDSP KiDatabase | 426 | 8 | 0 | 6 | 4.8 | COc1cc(ccc1OCCCN1CCC(CC1)c1noc2c1ccc(c2)F)C(=O)C | None | |||
| CHEMBL14376 | 2006 | 111 | 3H-RX821002 | -16 | 45 | Human | 7.8 | pKi | = | 7.8 | Binding | PDSP KiDatabase | 426 | 8 | 0 | 6 | 4.8 | COc1cc(ccc1OCCCN1CCC(CC1)c1noc2c1ccc(c2)F)C(=O)C | None | |||
| DB04946 | 2006 | 111 | 3H-RX821002 | -16 | 45 | Human | 7.8 | pKi | = | 7.8 | Binding | PDSP KiDatabase | 426 | 8 | 0 | 6 | 4.8 | COc1cc(ccc1OCCCN1CCC(CC1)c1noc2c1ccc(c2)F)C(=O)C | None | |||
| 1028 | 291 | 71 | 35S-GTPGammaS | -67 | 30 | Human | 5.8 | pKi | = | 5.8 | Binding | PDSP KiDatabase | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | None | |||
| 139148732 | 291 | 71 | 35S-GTPGammaS | -67 | 30 | Human | 5.8 | pKi | = | 5.8 | Binding | PDSP KiDatabase | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | None | |||
| 479 | 291 | 71 | 35S-GTPGammaS | -67 | 30 | Human | 5.8 | pKi | = | 5.8 | Binding | PDSP KiDatabase | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | None | |||
| 5816 | 291 | 71 | 35S-GTPGammaS | -67 | 30 | Human | 5.8 | pKi | = | 5.8 | Binding | PDSP KiDatabase | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | None | |||
| CHEMBL679 | 291 | 71 | 35S-GTPGammaS | -67 | 30 | Human | 5.8 | pKi | = | 5.8 | Binding | PDSP KiDatabase | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | None | |||
| DB00668 | 291 | 71 | 35S-GTPGammaS | -67 | 30 | Human | 5.8 | pKi | = | 5.8 | Binding | PDSP KiDatabase | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | None | |||
| 46780481 | 107531 | 20 | 3H-CLONIDINE | -72 | 53 | Human | 7.8 | pKi | = | 7.8 | Binding | PDSP KiDatabase | 285 | 0 | 0 | 2 | 4.3 | CN1CC2c3ccccc3Oc3ccc(Cl)cc3C2C1 | None | |||
| 9903970 | 107531 | 20 | 3H-CLONIDINE | -72 | 53 | Human | 7.8 | pKi | = | 7.8 | Binding | PDSP KiDatabase | 285 | 0 | 0 | 2 | 4.3 | CN1CC2c3ccccc3Oc3ccc(Cl)cc3C2C1 | None | |||
| CHEMBL3187365 | 107531 | 20 | 3H-CLONIDINE | -72 | 53 | Human | 7.8 | pKi | = | 7.8 | Binding | PDSP KiDatabase | 285 | 0 | 0 | 2 | 4.3 | CN1CC2c3ccccc3Oc3ccc(Cl)cc3C2C1 | None | |||
| CHEMBL3544974 | 107531 | 20 | 3H-CLONIDINE | -72 | 53 | Human | 7.8 | pKi | = | 7.8 | Binding | PDSP KiDatabase | 285 | 0 | 0 | 2 | 4.3 | CN1CC2c3ccccc3Oc3ccc(Cl)cc3C2C1 | None | |||
| 1830 | 2590 | 44 | 3H-CLONIDINE | -6 | 28 | Human | 6.8 | pKi | = | 6.8 | Binding | PDSP KiDatabase | 276 | 3 | 1 | 3 | 2.0 | CCc1c(C)[nH]c2c1C(=O)C(CC2)CN1CCOCC1 | None | |||
| 207 | 2590 | 44 | 3H-CLONIDINE | -6 | 28 | Human | 6.8 | pKi | = | 6.8 | Binding | PDSP KiDatabase | 276 | 3 | 1 | 3 | 2.0 | CCc1c(C)[nH]c2c1C(=O)C(CC2)CN1CCOCC1 | None | |||
| 23897 | 2590 | 44 | 3H-CLONIDINE | -6 | 28 | Human | 6.8 | pKi | = | 6.8 | Binding | PDSP KiDatabase | 276 | 3 | 1 | 3 | 2.0 | CCc1c(C)[nH]c2c1C(=O)C(CC2)CN1CCOCC1 | None | |||
| CHEMBL460 | 2590 | 44 | 3H-CLONIDINE | -6 | 28 | Human | 6.8 | pKi | = | 6.8 | Binding | PDSP KiDatabase | 276 | 3 | 1 | 3 | 2.0 | CCc1c(C)[nH]c2c1C(=O)C(CC2)CN1CCOCC1 | None | |||
| DB01618 | 2590 | 44 | 3H-CLONIDINE | -6 | 28 | Human | 6.8 | pKi | = | 6.8 | Binding | PDSP KiDatabase | 276 | 3 | 1 | 3 | 2.0 | CCc1c(C)[nH]c2c1C(=O)C(CC2)CN1CCOCC1 | None | |||
| 1816 | 2540 | 102 | 3H-RAUWOLSCINE | -38 | 18 | Human | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | 265 | 0 | 0 | 3 | 2.5 | CN1CCN2C(C1)c1ccccc1Cc1c2nccc1 | None | |||
| 4205 | 2540 | 102 | 3H-RAUWOLSCINE | -38 | 18 | Human | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | 265 | 0 | 0 | 3 | 2.5 | CN1CCN2C(C1)c1ccccc1Cc1c2nccc1 | None | |||
| 7241 | 2540 | 102 | 3H-RAUWOLSCINE | -38 | 18 | Human | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | 265 | 0 | 0 | 3 | 2.5 | CN1CCN2C(C1)c1ccccc1Cc1c2nccc1 | None | |||
| CHEMBL654 | 2540 | 102 | 3H-RAUWOLSCINE | -38 | 18 | Human | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | 265 | 0 | 0 | 3 | 2.5 | CN1CCN2C(C1)c1ccccc1Cc1c2nccc1 | None | |||
| DB00370 | 2540 | 102 | 3H-RAUWOLSCINE | -38 | 18 | Human | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | 265 | 0 | 0 | 3 | 2.5 | CN1CCN2C(C1)c1ccccc1Cc1c2nccc1 | None | |||
| 11225732 | 93657 | 0 | UNDEFINED | 16 | 3 | Human | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | 497 | 6 | 0 | 5 | 6.7 | COc1cc2c(cc1OC)CN(Cc1ccc(OC)c3oc(-c4ccccc4C(F)(F)F)cc13)CC2 | None | |||
| CHEMBL246852 | 93657 | 0 | UNDEFINED | 16 | 3 | Human | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | 497 | 6 | 0 | 5 | 6.7 | COc1cc2c(cc1OC)CN(Cc1ccc(OC)c3oc(-c4ccccc4C(F)(F)F)cc13)CC2 | None | |||
| 3337 | 206367 | 27 | 3H-CLONIDINE | -13 | 40 | Human | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | 231 | 4 | 1 | 1 | 3.2 | CCNC(C)Cc1cccc(C(F)(F)F)c1 | None | |||
| 65801 | 206367 | 27 | 3H-CLONIDINE | -13 | 40 | Human | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | 231 | 4 | 1 | 1 | 3.2 | CCNC(C)Cc1cccc(C(F)(F)F)c1 | None | |||
| 66264 | 206367 | 27 | 3H-CLONIDINE | -13 | 40 | Human | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | 231 | 4 | 1 | 1 | 3.2 | CCNC(C)Cc1cccc(C(F)(F)F)c1 | None | |||
| 91452 | 206367 | 27 | 3H-CLONIDINE | -13 | 40 | Human | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | 231 | 4 | 1 | 1 | 3.2 | CCNC(C)Cc1cccc(C(F)(F)F)c1 | None | |||
| CHEMBL87493 | 206367 | 27 | 3H-CLONIDINE | -13 | 40 | Human | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | 231 | 4 | 1 | 1 | 3.2 | CCNC(C)Cc1cccc(C(F)(F)F)c1 | None | |||
| 124 | 2981 | 47 | 3H-MK912 | -60 | 33 | Human | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | None | |||
| 2032 | 2981 | 47 | 3H-MK912 | -60 | 33 | Human | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | None | |||
| 4636 | 2981 | 47 | 3H-MK912 | -60 | 33 | Human | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | None | |||
| CHEMBL762 | 2981 | 47 | 3H-MK912 | -60 | 33 | Human | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | None | |||
| DB00935 | 2981 | 47 | 3H-MK912 | -60 | 33 | Human | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | None | |||
| None | 216239 | 0 | 3H-CLONIDINE | -27542 | 30 | Human | 5.7 | pKi | = | 5.7 | Binding | PDSP KiDatabase | 316 | 7 | 3 | 3 | 3.0 | CC(CF)NCC(COC1=CC=CC2=C1C3=CC=CC=C3N2)O | None | |||
| 12575 | 1988 | 30 | UNDEFINED | -8 | 17 | Human | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | 204 | 1 | 1 | 4 | 0.8 | C1CN=C(N1)C2COC3=CC=CC=C3O2 | None | |||
| 54459 | 1988 | 30 | UNDEFINED | -8 | 17 | Human | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | 204 | 1 | 1 | 4 | 0.8 | C1CN=C(N1)C2COC3=CC=CC=C3O2 | None | |||
| CHEMBL10316 | 1988 | 30 | UNDEFINED | -8 | 17 | Human | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | 204 | 1 | 1 | 4 | 0.8 | C1CN=C(N1)C2COC3=CC=CC=C3O2 | None | |||
| 44438147 | 93489 | 0 | UNDEFINED | 19 | 3 | Human | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | 406 | 5 | 1 | 9 | 2.5 | COc1cc2c(cc1OC)CN(Cc1cnc(N)n3nc(-c4ccco4)nc13)CC2 | None | |||
| CHEMBL246228 | 93489 | 0 | UNDEFINED | 19 | 3 | Human | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | 406 | 5 | 1 | 9 | 2.5 | COc1cc2c(cc1OC)CN(Cc1cnc(N)n3nc(-c4ccco4)nc13)CC2 | None | |||
| 44438152 | 93608 | 0 | UNDEFINED | 42 | 3 | Human | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | 459 | 7 | 0 | 6 | 5.7 | COc1cccc(-c2cc3c(CN4CCc5cc(OC)c(OC)cc5C4)ccc(OC)c3o2)c1 | None | |||
| CHEMBL246639 | 93608 | 0 | UNDEFINED | 42 | 3 | Human | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | 459 | 7 | 0 | 6 | 5.7 | COc1cccc(-c2cc3c(CN4CCc5cc(OC)c(OC)cc5C4)ccc(OC)c3o2)c1 | None | |||
| 12575 | 1988 | 30 | 35S-GTPGammaS | -8 | 17 | Human | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | 204 | 1 | 1 | 4 | 0.8 | C1CN=C(N1)C2COC3=CC=CC=C3O2 | None | |||
| 54459 | 1988 | 30 | 35S-GTPGammaS | -8 | 17 | Human | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | 204 | 1 | 1 | 4 | 0.8 | C1CN=C(N1)C2COC3=CC=CC=C3O2 | None | |||
| CHEMBL10316 | 1988 | 30 | 35S-GTPGammaS | -8 | 17 | Human | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | 204 | 1 | 1 | 4 | 0.8 | C1CN=C(N1)C2COC3=CC=CC=C3O2 | None | |||
| 135 | 2532 | 43 | 3H-RAUWOLSCINE | -14 | 58 | North American opossum | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | None | |||
| 1796 | 2532 | 43 | 3H-RAUWOLSCINE | -14 | 58 | North American opossum | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | None | |||
| 4184 | 2532 | 43 | 3H-RAUWOLSCINE | -14 | 58 | North American opossum | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | None | |||
| CHEMBL6437 | 2532 | 43 | 3H-RAUWOLSCINE | -14 | 58 | North American opossum | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | None | |||
| DB06148 | 2532 | 43 | 3H-RAUWOLSCINE | -14 | 58 | North American opossum | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | None | |||
| 2435 | 722 | 100 | 35S-GTPGammaS | -33 | 12 | Human | 5.7 | pKi | = | 5.7 | Binding | PDSP KiDatabase | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | None | |||
| 395 | 722 | 100 | 35S-GTPGammaS | -33 | 12 | Human | 5.7 | pKi | = | 5.7 | Binding | PDSP KiDatabase | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | None | |||
| 520 | 722 | 100 | 35S-GTPGammaS | -33 | 12 | Human | 5.7 | pKi | = | 5.7 | Binding | PDSP KiDatabase | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | None | |||
| 5386 | 722 | 100 | 35S-GTPGammaS | -33 | 12 | Human | 5.7 | pKi | = | 5.7 | Binding | PDSP KiDatabase | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | None | |||
| CHEMBL844 | 722 | 100 | 35S-GTPGammaS | -33 | 12 | Human | 5.7 | pKi | = | 5.7 | Binding | PDSP KiDatabase | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | None | |||
| DB00484 | 722 | 100 | 35S-GTPGammaS | -33 | 12 | Human | 5.7 | pKi | = | 5.7 | Binding | PDSP KiDatabase | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | None | |||
| 3337 | 206367 | 27 | 3H-CLONIDINE | -13 | 40 | Human | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | 231 | 4 | 1 | 1 | 3.2 | CCNC(C)Cc1cccc(C(F)(F)F)c1 | None | |||
| 65801 | 206367 | 27 | 3H-CLONIDINE | -13 | 40 | Human | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | 231 | 4 | 1 | 1 | 3.2 | CCNC(C)Cc1cccc(C(F)(F)F)c1 | None | |||
| 66264 | 206367 | 27 | 3H-CLONIDINE | -13 | 40 | Human | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | 231 | 4 | 1 | 1 | 3.2 | CCNC(C)Cc1cccc(C(F)(F)F)c1 | None | |||
| 91452 | 206367 | 27 | 3H-CLONIDINE | -13 | 40 | Human | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | 231 | 4 | 1 | 1 | 3.2 | CCNC(C)Cc1cccc(C(F)(F)F)c1 | None | |||
| CHEMBL87493 | 206367 | 27 | 3H-CLONIDINE | -13 | 40 | Human | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | 231 | 4 | 1 | 1 | 3.2 | CCNC(C)Cc1cccc(C(F)(F)F)c1 | None | |||
| 12575 | 1988 | 30 | 3H-RAUWOLSCINE | -1 | 17 | North American opossum | 8.6 | pKi | = | 8.6 | Binding | PDSP KiDatabase | 204 | 1 | 1 | 4 | 0.8 | C1CN=C(N1)C2COC3=CC=CC=C3O2 | None | |||
| 54459 | 1988 | 30 | 3H-RAUWOLSCINE | -1 | 17 | North American opossum | 8.6 | pKi | = | 8.6 | Binding | PDSP KiDatabase | 204 | 1 | 1 | 4 | 0.8 | C1CN=C(N1)C2COC3=CC=CC=C3O2 | None | |||
| CHEMBL10316 | 1988 | 30 | 3H-RAUWOLSCINE | -1 | 17 | North American opossum | 8.6 | pKi | = | 8.6 | Binding | PDSP KiDatabase | 204 | 1 | 1 | 4 | 0.8 | C1CN=C(N1)C2COC3=CC=CC=C3O2 | None | |||
| 68602 | 205126 | 80 | 3H-RX821002 | -4 | 7 | Human | 8.6 | pKi | = | 8.6 | Binding | PDSP KiDatabase | 200 | 2 | 1 | 1 | 3.2 | Cc1cccc(C(C)c2c[nH]cn2)c1C | None | |||
| CHEMBL77921 | 205126 | 80 | 3H-RX821002 | -4 | 7 | Human | 8.6 | pKi | = | 8.6 | Binding | PDSP KiDatabase | 200 | 2 | 1 | 1 | 3.2 | Cc1cccc(C(C)c2c[nH]cn2)c1C | None | |||
| 123981 | 16459 | 22 | 3H-RAUWOLSCINE | -4 | 8 | Human | 8.6 | pKi | = | 8.6 | Binding | PDSP KiDatabase | 195 | 0 | 0 | 1 | 2.4 | CN1CCc2cccc(Cl)c2CC1 | None | |||
| CHEMBL123349 | 16459 | 22 | 3H-RAUWOLSCINE | -4 | 8 | Human | 8.6 | pKi | = | 8.6 | Binding | PDSP KiDatabase | 195 | 0 | 0 | 1 | 2.4 | CN1CCc2cccc(Cl)c2CC1 | None | |||
| CHEMBL536803 | 16459 | 22 | 3H-RAUWOLSCINE | -4 | 8 | Human | 8.6 | pKi | = | 8.6 | Binding | PDSP KiDatabase | 195 | 0 | 0 | 1 | 2.4 | CN1CCc2cccc(Cl)c2CC1 | None | |||
| 12576 | 514 | 94 | 3H-RAUWOLSCINE | -4 | 6 | North American opossum | 8.6 | pKi | = | 8.6 | Binding | PDSP KiDatabase | 212 | 2 | 1 | 1 | 2.9 | CCC1(CC2=CC=CC=C2C1)C3=CN=CN3 | None | |||
| 71310 | 514 | 94 | 3H-RAUWOLSCINE | -4 | 6 | North American opossum | 8.6 | pKi | = | 8.6 | Binding | PDSP KiDatabase | 212 | 2 | 1 | 1 | 2.9 | CCC1(CC2=CC=CC=C2C1)C3=CN=CN3 | None | |||
| CHEMBL353972 | 514 | 94 | 3H-RAUWOLSCINE | -4 | 6 | North American opossum | 8.6 | pKi | = | 8.6 | Binding | PDSP KiDatabase | 212 | 2 | 1 | 1 | 2.9 | CCC1(CC2=CC=CC=C2C1)C3=CN=CN3 | None | |||
| DB11481 | 514 | 94 | 3H-RAUWOLSCINE | -4 | 6 | North American opossum | 8.6 | pKi | = | 8.6 | Binding | PDSP KiDatabase | 212 | 2 | 1 | 1 | 2.9 | CCC1(CC2=CC=CC=C2C1)C3=CN=CN3 | None | |||
| 135398737 | 958 | 93 | 3H-RAUWOLSCINE | -3 | 89 | Human | 8.5 | pKi | = | 8.5 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | |||
| 38 | 958 | 93 | 3H-RAUWOLSCINE | -3 | 89 | Human | 8.5 | pKi | = | 8.5 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | |||
| 722 | 958 | 93 | 3H-RAUWOLSCINE | -3 | 89 | Human | 8.5 | pKi | = | 8.5 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | |||
| CHEMBL42 | 958 | 93 | 3H-RAUWOLSCINE | -3 | 89 | Human | 8.5 | pKi | = | 8.5 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | |||
| DB00363 | 958 | 93 | 3H-RAUWOLSCINE | -3 | 89 | Human | 8.5 | pKi | = | 8.5 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | |||
| 16725934 | 147423 | 0 | UNDEFINED | 38 | 3 | Human | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | 429 | 6 | 0 | 5 | 5.7 | COc1cc2c(cc1OC)CN(Cc1ccc(OC)c3oc(-c4ccccc4)cc13)CC2 | None | |||
| CHEMBL392992 | 147423 | 0 | UNDEFINED | 38 | 3 | Human | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | 429 | 6 | 0 | 5 | 5.7 | COc1cc2c(cc1OC)CN(Cc1ccc(OC)c3oc(-c4ccccc4)cc13)CC2 | None | |||
| 138107169 | 215952 | 0 | 3H-RAUWOLSCINE | -3 | 22 | North American opossum | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | 354 | 1 | 2 | 4 | 2.6 | COC(=O)C1C(CCC2C1CC3C4=C(CCN3C2)C5=CC=CC=C5N4)O | None | |||
| 22831402 | 215952 | 0 | 3H-RAUWOLSCINE | -3 | 22 | North American opossum | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | 354 | 1 | 2 | 4 | 2.6 | COC(=O)C1C(CCC2C1CC3C4=C(CCN3C2)C5=CC=CC=C5N4)O | None | |||
| 2216 | 446 | 50 | 35S-GTPGammaS | -3 | 6 | Human | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | 244 | 1 | 3 | 4 | 1.9 | Nc1cc(Cl)c(c(c1)Cl)NC1=NCCN1 | None | |||
| 229 | 446 | 50 | 35S-GTPGammaS | -3 | 6 | Human | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | 244 | 1 | 3 | 4 | 1.9 | Nc1cc(Cl)c(c(c1)Cl)NC1=NCCN1 | None | |||
| 7117 | 446 | 50 | 35S-GTPGammaS | -3 | 6 | Human | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | 244 | 1 | 3 | 4 | 1.9 | Nc1cc(Cl)c(c(c1)Cl)NC1=NCCN1 | None | |||
| CHEMBL647 | 446 | 50 | 35S-GTPGammaS | -3 | 6 | Human | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | 244 | 1 | 3 | 4 | 1.9 | Nc1cc(Cl)c(c(c1)Cl)NC1=NCCN1 | None | |||
| DB00964 | 446 | 50 | 35S-GTPGammaS | -3 | 6 | Human | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | 244 | 1 | 3 | 4 | 1.9 | Nc1cc(Cl)c(c(c1)Cl)NC1=NCCN1 | None | |||
| 135398745 | 2914 | 112 | 3H-RAUWOLSCINE | -30 | 65 | Human | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | None | |||
| 47 | 2914 | 112 | 3H-RAUWOLSCINE | -30 | 65 | Human | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | None | |||
| CHEMBL715 | 2914 | 112 | 3H-RAUWOLSCINE | -30 | 65 | Human | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | None | |||
| DB00334 | 2914 | 112 | 3H-RAUWOLSCINE | -30 | 65 | Human | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | None | |||
| None | 216135 | 0 | 3H-CLONIDINE | -2238 | 24 | Human | 5.7 | pKi | = | 5.7 | Binding | PDSP KiDatabase | 772 | 16 | 4 | 10 | 5.5 | CN(C)CCONC(=CC=C1C=CC(=O)C=C1)C2=CC=CC=C2F.CN(C)CCONC(=CC=C1C=CC(=O)C=C1)C2=CC=CC=C2F.C(=CC(=O)O)C(=O)O | None | |||
| 6917970 | 3691 | 61 | 3H-CLONIDINE | -48 | 34 | Human | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | 327 | 2 | 2 | 5 | 2.8 | COc1cc2CCN3[C@H](c2cc1O)Cc1c(C3)c(OC)c(cc1)O | None | |||
| 8370 | 3691 | 61 | 3H-CLONIDINE | -48 | 34 | Human | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | 327 | 2 | 2 | 5 | 2.8 | COc1cc2CCN3[C@H](c2cc1O)Cc1c(C3)c(OC)c(cc1)O | None | |||
| CHEMBL487387 | 3691 | 61 | 3H-CLONIDINE | -48 | 34 | Human | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | 327 | 2 | 2 | 5 | 2.8 | COc1cc2CCN3[C@H](c2cc1O)Cc1c(C3)c(OC)c(cc1)O | None | |||
| None | 216341 | 0 | 3H-RX821002 | -29 | 19 | Human | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | 451 | 8 | 2 | 4 | 3.2 | CCNC(=O)N(CCCN(C)C)C(=O)C1CC2C(CC3=CNC4=CC=CC2=C34)N(C1)CC=C | None | |||
| 2695 | 3841 | 81 | 3H-RAUWOLSCINE | -30 | 6 | Human | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | 160 | 2 | 1 | 2 | 1.2 | c1ccc(cc1)CC1=NCCN1 | None | |||
| 5504 | 3841 | 81 | 3H-RAUWOLSCINE | -30 | 6 | Human | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | 160 | 2 | 1 | 2 | 1.2 | c1ccc(cc1)CC1=NCCN1 | None | |||
| 7310 | 3841 | 81 | 3H-RAUWOLSCINE | -30 | 6 | Human | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | 160 | 2 | 1 | 2 | 1.2 | c1ccc(cc1)CC1=NCCN1 | None | |||
| CHEMBL770 | 3841 | 81 | 3H-RAUWOLSCINE | -30 | 6 | Human | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | 160 | 2 | 1 | 2 | 1.2 | c1ccc(cc1)CC1=NCCN1 | None | |||
| DB00797 | 3841 | 81 | 3H-RAUWOLSCINE | -30 | 6 | Human | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | 160 | 2 | 1 | 2 | 1.2 | c1ccc(cc1)CC1=NCCN1 | None | |||
| 2726 | 919 | 68 | 3H-RAUWOLSCINE | -31 | 72 | Human | 6.6 | pKi | = | 6.6 | Binding | PDSP KiDatabase | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | None | |||
| 621 | 919 | 68 | 3H-RAUWOLSCINE | -31 | 72 | Human | 6.6 | pKi | = | 6.6 | Binding | PDSP KiDatabase | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | None | |||
| 83 | 919 | 68 | 3H-RAUWOLSCINE | -31 | 72 | Human | 6.6 | pKi | = | 6.6 | Binding | PDSP KiDatabase | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | None | |||
| CHEMBL71 | 919 | 68 | 3H-RAUWOLSCINE | -31 | 72 | Human | 6.6 | pKi | = | 6.6 | Binding | PDSP KiDatabase | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | None | |||
| DB00477 | 919 | 68 | 3H-RAUWOLSCINE | -31 | 72 | Human | 6.6 | pKi | = | 6.6 | Binding | PDSP KiDatabase | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | None | |||
| 124 | 2981 | 47 | 35S-GTPGammaS | -60 | 33 | Human | 6.6 | pKi | = | 6.6 | Binding | PDSP KiDatabase | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | None | |||
| 2032 | 2981 | 47 | 35S-GTPGammaS | -60 | 33 | Human | 6.6 | pKi | = | 6.6 | Binding | PDSP KiDatabase | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | None | |||
| 4636 | 2981 | 47 | 35S-GTPGammaS | -60 | 33 | Human | 6.6 | pKi | = | 6.6 | Binding | PDSP KiDatabase | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | None | |||
| CHEMBL762 | 2981 | 47 | 35S-GTPGammaS | -60 | 33 | Human | 6.6 | pKi | = | 6.6 | Binding | PDSP KiDatabase | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | None | |||
| DB00935 | 2981 | 47 | 35S-GTPGammaS | -60 | 33 | Human | 6.6 | pKi | = | 6.6 | Binding | PDSP KiDatabase | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | None | |||
| 3337 | 206367 | 27 | 3H-CLONIDINE | -13 | 40 | Human | 6.6 | pKi | = | 6.6 | Binding | PDSP KiDatabase | 231 | 4 | 1 | 1 | 3.2 | CCNC(C)Cc1cccc(C(F)(F)F)c1 | None | |||
| 65801 | 206367 | 27 | 3H-CLONIDINE | -13 | 40 | Human | 6.6 | pKi | = | 6.6 | Binding | PDSP KiDatabase | 231 | 4 | 1 | 1 | 3.2 | CCNC(C)Cc1cccc(C(F)(F)F)c1 | None | |||
| 66264 | 206367 | 27 | 3H-CLONIDINE | -13 | 40 | Human | 6.6 | pKi | = | 6.6 | Binding | PDSP KiDatabase | 231 | 4 | 1 | 1 | 3.2 | CCNC(C)Cc1cccc(C(F)(F)F)c1 | None | |||
| 91452 | 206367 | 27 | 3H-CLONIDINE | -13 | 40 | Human | 6.6 | pKi | = | 6.6 | Binding | PDSP KiDatabase | 231 | 4 | 1 | 1 | 3.2 | CCNC(C)Cc1cccc(C(F)(F)F)c1 | None | |||
| CHEMBL87493 | 206367 | 27 | 3H-CLONIDINE | -13 | 40 | Human | 6.6 | pKi | = | 6.6 | Binding | PDSP KiDatabase | 231 | 4 | 1 | 1 | 3.2 | CCNC(C)Cc1cccc(C(F)(F)F)c1 | None | |||
| 1353 | 1911 | 93 | 3H-RAUWOLSCINE | -87 | 83 | Human | 6.6 | pKi | = | 6.6 | Binding | PDSP KiDatabase | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | None | |||
| 3559 | 1911 | 93 | 3H-RAUWOLSCINE | -87 | 83 | Human | 6.6 | pKi | = | 6.6 | Binding | PDSP KiDatabase | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | None | |||
| 86 | 1911 | 93 | 3H-RAUWOLSCINE | -87 | 83 | Human | 6.6 | pKi | = | 6.6 | Binding | PDSP KiDatabase | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | None | |||
| CHEMBL54 | 1911 | 93 | 3H-RAUWOLSCINE | -87 | 83 | Human | 6.6 | pKi | = | 6.6 | Binding | PDSP KiDatabase | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | None | |||
| DB00502 | 1911 | 93 | 3H-RAUWOLSCINE | -87 | 83 | Human | 6.6 | pKi | = | 6.6 | Binding | PDSP KiDatabase | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | None | |||
| 2142 | 3096 | 58 | 35S-GTPGammaS | -7 | 36 | Human | 6.6 | pKi | = | 6.6 | Binding | PDSP KiDatabase | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | None | |||
| 4920903 | 3096 | 58 | 35S-GTPGammaS | -7 | 36 | Human | 6.6 | pKi | = | 6.6 | Binding | PDSP KiDatabase | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | None | |||
| 502 | 3096 | 58 | 35S-GTPGammaS | -7 | 36 | Human | 6.6 | pKi | = | 6.6 | Binding | PDSP KiDatabase | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | None | |||
| 5775 | 3096 | 58 | 35S-GTPGammaS | -7 | 36 | Human | 6.6 | pKi | = | 6.6 | Binding | PDSP KiDatabase | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | None | |||
| CHEMBL597 | 3096 | 58 | 35S-GTPGammaS | -7 | 36 | Human | 6.6 | pKi | = | 6.6 | Binding | PDSP KiDatabase | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | None | |||
| DB00692 | 3096 | 58 | 35S-GTPGammaS | -7 | 36 | Human | 6.6 | pKi | = | 6.6 | Binding | PDSP KiDatabase | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | None | |||
| 104911 | 216019 | 0 | 3H-CLONIDINE | -10715 | 37 | Human | 5.6 | pKi | = | 5.6 | Binding | PDSP KiDatabase | 530 | 7 | 0 | 5 | 5.1 | COC1=CC=CC=C1N2CCN(CC2)CCN(C3=CC=CC=N3)C(=O)C4CCCCC4.Cl.Cl.Cl | None | |||
| 135 | 2532 | 43 | 3H-RAUWOLSCINE | -6 | 58 | Human | 6.6 | pKi | = | 6.6 | Binding | PDSP KiDatabase | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | None | |||
| 1796 | 2532 | 43 | 3H-RAUWOLSCINE | -6 | 58 | Human | 6.6 | pKi | = | 6.6 | Binding | PDSP KiDatabase | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | None | |||
| 4184 | 2532 | 43 | 3H-RAUWOLSCINE | -6 | 58 | Human | 6.6 | pKi | = | 6.6 | Binding | PDSP KiDatabase | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | None | |||
| CHEMBL6437 | 2532 | 43 | 3H-RAUWOLSCINE | -6 | 58 | Human | 6.6 | pKi | = | 6.6 | Binding | PDSP KiDatabase | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | None | |||
| DB06148 | 2532 | 43 | 3H-RAUWOLSCINE | -6 | 58 | Human | 6.6 | pKi | = | 6.6 | Binding | PDSP KiDatabase | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | None | |||
| 10297 | 27112 | 30 | 3H-CLONIDINE | 1 | 42 | Human | 6.6 | pKi | = | 6.6 | Binding | PDSP KiDatabase | 151 | 2 | 2 | 2 | 1.1 | C[C@H](N)[C@H](O)c1ccccc1 | None | |||
| CHEMBL136560 | 27112 | 30 | 3H-CLONIDINE | 1 | 42 | Human | 6.6 | pKi | = | 6.6 | Binding | PDSP KiDatabase | 151 | 2 | 2 | 2 | 1.1 | C[C@H](N)[C@H](O)c1ccccc1 | None | |||
| 5524 | 216464 | 0 | 35S-GTPGammaS | -2 | 4 | Human | 6.6 | pKi | = | 6.6 | Binding | PDSP KiDatabase | 215 | 1 | 2 | 3 | 1.9 | C1CCC2=C(C1)C=CC=C2NC3=NCCN3 | None | |||
| 138107169 | 215952 | 0 | 3H-RAUWOLSCINE | -1 | 22 | Human | 7.6 | pKi | = | 7.6 | Binding | PDSP KiDatabase | 354 | 1 | 2 | 4 | 2.6 | COC(=O)C1C(CCC2C1CC3C4=C(CCN3C2)C5=CC=CC=C5N4)O | None | |||
| 22831402 | 215952 | 0 | 3H-RAUWOLSCINE | -1 | 22 | Human | 7.6 | pKi | = | 7.6 | Binding | PDSP KiDatabase | 354 | 1 | 2 | 4 | 2.6 | COC(=O)C1C(CCC2C1CC3C4=C(CCN3C2)C5=CC=CC=C5N4)O | None | |||
| 31101 | 729 | 40 | 3H-RX821002 | -36 | 36 | Human | 7.6 | pKi | = | 7.6 | Binding | PDSP KiDatabase | 653 | 5 | 3 | 6 | 3.2 | CC(C[C@H]1C(=O)N2CCC[C@H]2[C@]2(N1C(=O)[C@@](O2)(NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c([nH]3)Br)C(C)C)O)C | None | |||
| 35 | 729 | 40 | 3H-RX821002 | -36 | 36 | Human | 7.6 | pKi | = | 7.6 | Binding | PDSP KiDatabase | 653 | 5 | 3 | 6 | 3.2 | CC(C[C@H]1C(=O)N2CCC[C@H]2[C@]2(N1C(=O)[C@@](O2)(NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c([nH]3)Br)C(C)C)O)C | None | |||
| 403 | 729 | 40 | 3H-RX821002 | -36 | 36 | Human | 7.6 | pKi | = | 7.6 | Binding | PDSP KiDatabase | 653 | 5 | 3 | 6 | 3.2 | CC(C[C@H]1C(=O)N2CCC[C@H]2[C@]2(N1C(=O)[C@@](O2)(NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c([nH]3)Br)C(C)C)O)C | None | |||
| CHEMBL493 | 729 | 40 | 3H-RX821002 | -36 | 36 | Human | 7.6 | pKi | = | 7.6 | Binding | PDSP KiDatabase | 653 | 5 | 3 | 6 | 3.2 | CC(C[C@H]1C(=O)N2CCC[C@H]2[C@]2(N1C(=O)[C@@](O2)(NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c([nH]3)Br)C(C)C)O)C | None | |||
| DB01200 | 729 | 40 | 3H-RX821002 | -36 | 36 | Human | 7.6 | pKi | = | 7.6 | Binding | PDSP KiDatabase | 653 | 5 | 3 | 6 | 3.2 | CC(C[C@H]1C(=O)N2CCC[C@H]2[C@]2(N1C(=O)[C@@](O2)(NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c([nH]3)Br)C(C)C)O)C | None | |||
| 2337 | 3256 | 77 | 125I-Clonidine | -10 | 62 | Human | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | None | |||
| 2337 | 3256 | 77 | 3H-CLONIDINE | -10 | 62 | Human | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | None | |||
| 50 | 3256 | 77 | 125I-Clonidine | -10 | 62 | Human | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | None | |||
| 50 | 3256 | 77 | 3H-CLONIDINE | -10 | 62 | Human | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | None | |||
| 5002 | 3256 | 77 | 125I-Clonidine | -10 | 62 | Human | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | None | |||
| 5002 | 3256 | 77 | 3H-CLONIDINE | -10 | 62 | Human | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | None | |||
| CHEMBL716 | 3256 | 77 | 125I-Clonidine | -10 | 62 | Human | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | None | |||
| CHEMBL716 | 3256 | 77 | 3H-CLONIDINE | -10 | 62 | Human | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | None | |||
| DB01224 | 3256 | 77 | 125I-Clonidine | -10 | 62 | Human | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | None | |||
| DB01224 | 3256 | 77 | 3H-CLONIDINE | -10 | 62 | Human | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | None | |||
| 1212 | 1662 | 50 | 3H-CLONIDINE | -54 | 65 | Human | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | None | |||
| 204 | 1662 | 50 | 3H-CLONIDINE | -54 | 65 | Human | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | None | |||
| 3372 | 1662 | 50 | 3H-CLONIDINE | -54 | 65 | Human | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | None | |||
| CHEMBL726 | 1662 | 50 | 3H-CLONIDINE | -54 | 65 | Human | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | None | |||
| DB00623 | 1662 | 50 | 3H-CLONIDINE | -54 | 65 | Human | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | None | |||
| 135398745 | 2914 | 112 | 3H-CLONIDINE | -30 | 65 | Human | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | None | |||
| 47 | 2914 | 112 | 3H-CLONIDINE | -30 | 65 | Human | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | None | |||
| CHEMBL715 | 2914 | 112 | 3H-CLONIDINE | -30 | 65 | Human | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | None | |||
| DB00334 | 2914 | 112 | 3H-CLONIDINE | -30 | 65 | Human | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | None | |||
| 162265 | 202274 | 22 | 3H-CLONIDINE | -8 | 43 | Human | 5.6 | pKi | = | 5.6 | Binding | PDSP KiDatabase | 151 | 2 | 2 | 2 | 1.1 | CC(N)C(O)c1ccccc1 | None | |||
| 4786 | 202274 | 22 | 3H-CLONIDINE | -8 | 43 | Human | 5.6 | pKi | = | 5.6 | Binding | PDSP KiDatabase | 151 | 2 | 2 | 2 | 1.1 | CC(N)C(O)c1ccccc1 | None | |||
| CHEMBL61006 | 202274 | 22 | 3H-CLONIDINE | -8 | 43 | Human | 5.6 | pKi | = | 5.6 | Binding | PDSP KiDatabase | 151 | 2 | 2 | 2 | 1.1 | CC(N)C(O)c1ccccc1 | None | |||
| 1212 | 1662 | 50 | 3H-CLONIDINE | -54 | 65 | Human | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | None | |||
| 204 | 1662 | 50 | 3H-CLONIDINE | -54 | 65 | Human | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | None | |||
| 3372 | 1662 | 50 | 3H-CLONIDINE | -54 | 65 | Human | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | None | |||
| CHEMBL726 | 1662 | 50 | 3H-CLONIDINE | -54 | 65 | Human | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | None | |||
| DB00623 | 1662 | 50 | 3H-CLONIDINE | -54 | 65 | Human | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | None | |||
| 135398745 | 2914 | 112 | 3H-CLONIDINE | -30 | 65 | Human | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | None | |||
| 47 | 2914 | 112 | 3H-CLONIDINE | -30 | 65 | Human | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | None | |||
| CHEMBL715 | 2914 | 112 | 3H-CLONIDINE | -30 | 65 | Human | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | None | |||
| DB00334 | 2914 | 112 | 3H-CLONIDINE | -30 | 65 | Human | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | None | |||
| 2142 | 3096 | 58 | 3H-RAUWOLSCINE | -7 | 36 | Human | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | None | |||
| 4920903 | 3096 | 58 | 3H-RAUWOLSCINE | -7 | 36 | Human | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | None | |||
| 502 | 3096 | 58 | 3H-RAUWOLSCINE | -7 | 36 | Human | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | None | |||
| 5775 | 3096 | 58 | 3H-RAUWOLSCINE | -7 | 36 | Human | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | None | |||
| CHEMBL597 | 3096 | 58 | 3H-RAUWOLSCINE | -7 | 36 | Human | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | None | |||
| DB00692 | 3096 | 58 | 3H-RAUWOLSCINE | -7 | 36 | Human | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | None | |||
| 2337 | 3256 | 77 | 3H-CLONIDINE | -10 | 62 | Human | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | None | |||
| 50 | 3256 | 77 | 3H-CLONIDINE | -10 | 62 | Human | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | None | |||
| 5002 | 3256 | 77 | 3H-CLONIDINE | -10 | 62 | Human | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | None | |||
| CHEMBL716 | 3256 | 77 | 3H-CLONIDINE | -10 | 62 | Human | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | None | |||
| DB01224 | 3256 | 77 | 3H-CLONIDINE | -10 | 62 | Human | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | None | |||
| 2181 | 3128 | 46 | 3H-RAUWOLSCINE | -36 | 35 | Human | 6.5 | pKi | = | 6.5 | Binding | PDSP KiDatabase | 375 | 7 | 1 | 4 | 2.6 | O=C(c1ccc(cc1)F)CCCN1CCC(CC1)(N1CCCCC1)C(=O)N | None | |||
| 4830 | 3128 | 46 | 3H-RAUWOLSCINE | -36 | 35 | Human | 6.5 | pKi | = | 6.5 | Binding | PDSP KiDatabase | 375 | 7 | 1 | 4 | 2.6 | O=C(c1ccc(cc1)F)CCCN1CCC(CC1)(N1CCCCC1)C(=O)N | None | |||
| 92 | 3128 | 46 | 3H-RAUWOLSCINE | -36 | 35 | Human | 6.5 | pKi | = | 6.5 | Binding | PDSP KiDatabase | 375 | 7 | 1 | 4 | 2.6 | O=C(c1ccc(cc1)F)CCCN1CCC(CC1)(N1CCCCC1)C(=O)N | None | |||
| CHEMBL440294 | 3128 | 46 | 3H-RAUWOLSCINE | -36 | 35 | Human | 6.5 | pKi | = | 6.5 | Binding | PDSP KiDatabase | 375 | 7 | 1 | 4 | 2.6 | O=C(c1ccc(cc1)F)CCCN1CCC(CC1)(N1CCCCC1)C(=O)N | None | |||
| DB09286 | 3128 | 46 | 3H-RAUWOLSCINE | -36 | 35 | Human | 6.5 | pKi | = | 6.5 | Binding | PDSP KiDatabase | 375 | 7 | 1 | 4 | 2.6 | O=C(c1ccc(cc1)F)CCCN1CCC(CC1)(N1CCCCC1)C(=O)N | None | |||
| 102 | 4127 | 48 | 3H-MK912 | -2 | 49 | Human | 8.5 | pKi | = | 8.5 | Binding | PDSP KiDatabase | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | None | |||
| 3659 | 4127 | 48 | 3H-MK912 | -2 | 49 | Human | 8.5 | pKi | = | 8.5 | Binding | PDSP KiDatabase | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | None | |||
| 8969 | 4127 | 48 | 3H-MK912 | -2 | 49 | Human | 8.5 | pKi | = | 8.5 | Binding | PDSP KiDatabase | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | None | |||
| CHEMBL15245 | 4127 | 48 | 3H-MK912 | -2 | 49 | Human | 8.5 | pKi | = | 8.5 | Binding | PDSP KiDatabase | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | None | |||
| DB01392 | 4127 | 48 | 3H-MK912 | -2 | 49 | Human | 8.5 | pKi | = | 8.5 | Binding | PDSP KiDatabase | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | None | |||
| None | 215958 | 0 | 3H-MK912 | -4 | 19 | Human | 8.5 | pKi | = | 8.5 | Binding | PDSP KiDatabase | 421 | 9 | 1 | 6 | 4.3 | COC1=C(C(=CC=C1)OC)OCCNCC2C(OC3=CC=CC=C3O2)C4=CC=CC=C4 | None | |||
| 2389 | 3331 | 118 | 3H-RAUWOLSCINE | -10 | 67 | Human | 8.5 | pKi | = | 8.5 | Binding | PDSP KiDatabase | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | None | |||
| 5073 | 3331 | 118 | 3H-RAUWOLSCINE | -10 | 67 | Human | 8.5 | pKi | = | 8.5 | Binding | PDSP KiDatabase | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | None | |||
| 96 | 3331 | 118 | 3H-RAUWOLSCINE | -10 | 67 | Human | 8.5 | pKi | = | 8.5 | Binding | PDSP KiDatabase | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | None | |||
| CHEMBL85 | 3331 | 118 | 3H-RAUWOLSCINE | -10 | 67 | Human | 8.5 | pKi | = | 8.5 | Binding | PDSP KiDatabase | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | None | |||
| DB00734 | 3331 | 118 | 3H-RAUWOLSCINE | -10 | 67 | Human | 8.5 | pKi | = | 8.5 | Binding | PDSP KiDatabase | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | None | |||
| 931 | 216463 | 0 | 35S-GTPGammaS | 1 | 4 | Human | 8.5 | pKi | = | 8.5 | Binding | PDSP KiDatabase | 128 | 0 | 0 | 0 | 2.8 | C1=CC=C2C=CC=CC2=C1 | None | |||
| 44438168 | 93818 | 0 | UNDEFINED | 53 | 3 | Human | 8.5 | pKi | = | 8.5 | Binding | PDSP KiDatabase | 533 | 7 | 0 | 7 | 4.7 | COc1cc2c(cc1OC)CN(Cc1ccc(OC)c3oc(C(=O)N4CCC(N5CCCC5)CC4)cc13)CC2 | None | |||
| CHEMBL247665 | 93818 | 0 | UNDEFINED | 53 | 3 | Human | 8.5 | pKi | = | 8.5 | Binding | PDSP KiDatabase | 533 | 7 | 0 | 7 | 4.7 | COc1cc2c(cc1OC)CN(Cc1ccc(OC)c3oc(C(=O)N4CCC(N5CCCC5)CC4)cc13)CC2 | None | |||
| 115237 | 55585 | 119 | 3H-CLONIDINE | -29 | 54 | Human | 8.4 | pKi | = | 8.4 | Binding | PDSP KiDatabase | 426 | 4 | 1 | 7 | 3.1 | Cc1nc2n(c(=O)c1CCN1CCC(c3noc4cc(F)ccc34)CC1)CCCC2O | None | |||
| CHEMBL1621 | 55585 | 119 | 3H-CLONIDINE | -29 | 54 | Human | 8.4 | pKi | = | 8.4 | Binding | PDSP KiDatabase | 426 | 4 | 1 | 7 | 3.1 | Cc1nc2n(c(=O)c1CCN1CCC(c3noc4cc(F)ccc34)CC1)CCCC2O | None | |||
| 135 | 2532 | 43 | 3H-RAUWOLSCINE | -6 | 58 | Human | 8.4 | pKi | = | 8.4 | Binding | PDSP KiDatabase | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | None | |||
| 1796 | 2532 | 43 | 3H-RAUWOLSCINE | -6 | 58 | Human | 8.4 | pKi | = | 8.4 | Binding | PDSP KiDatabase | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | None | |||
| 4184 | 2532 | 43 | 3H-RAUWOLSCINE | -6 | 58 | Human | 8.4 | pKi | = | 8.4 | Binding | PDSP KiDatabase | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | None | |||
| CHEMBL6437 | 2532 | 43 | 3H-RAUWOLSCINE | -6 | 58 | Human | 8.4 | pKi | = | 8.4 | Binding | PDSP KiDatabase | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | None | |||
| DB06148 | 2532 | 43 | 3H-RAUWOLSCINE | -6 | 58 | Human | 8.4 | pKi | = | 8.4 | Binding | PDSP KiDatabase | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | None | |||
| 122211 | 462 | 0 | 3H-RAUWOLSCINE | -9 | 6 | Human | 8.4 | pKi | = | 8.4 | Binding | PDSP KiDatabase | 406 | 5 | 0 | 5 | 3.6 | COc1ccccc1N1CCN(CC1)CCC1C(=O)c2ccccc2C(C1=O)(C)C | None | |||
| 524 | 462 | 0 | 3H-RAUWOLSCINE | -9 | 6 | Human | 8.4 | pKi | = | 8.4 | Binding | PDSP KiDatabase | 406 | 5 | 0 | 5 | 3.6 | COc1ccccc1N1CCN(CC1)CCC1C(=O)c2ccccc2C(C1=O)(C)C | None | |||
| 4209 | 3163 | 75 | 35S-GTPGammaS | -181 | 33 | Human | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | None | |||
| 4893 | 3163 | 75 | 35S-GTPGammaS | -181 | 33 | Human | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | None | |||
| 503 | 3163 | 75 | 35S-GTPGammaS | -181 | 33 | Human | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | None | |||
| 5385 | 3163 | 75 | 35S-GTPGammaS | -181 | 33 | Human | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | None | |||
| CHEMBL2 | 3163 | 75 | 35S-GTPGammaS | -181 | 33 | Human | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | None | |||
| DB00457 | 3163 | 75 | 35S-GTPGammaS | -181 | 33 | Human | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | None | |||
| 124 | 2981 | 47 | 3H-RAUWOLSCINE | -60 | 33 | Human | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | None | |||
| 2032 | 2981 | 47 | 3H-RAUWOLSCINE | -60 | 33 | Human | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | None | |||
| 4636 | 2981 | 47 | 3H-RAUWOLSCINE | -60 | 33 | Human | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | None | |||
| CHEMBL762 | 2981 | 47 | 3H-RAUWOLSCINE | -60 | 33 | Human | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | None | |||
| DB00935 | 2981 | 47 | 3H-RAUWOLSCINE | -60 | 33 | Human | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | None | |||
| 122211 | 462 | 0 | 3H-MK912 | -9 | 6 | Human | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 406 | 5 | 0 | 5 | 3.6 | COc1ccccc1N1CCN(CC1)CCC1C(=O)c2ccccc2C(C1=O)(C)C | None | |||
| 524 | 462 | 0 | 3H-MK912 | -9 | 6 | Human | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 406 | 5 | 0 | 5 | 3.6 | COc1ccccc1N1CCN(CC1)CCC1C(=O)c2ccccc2C(C1=O)(C)C | None | |||
| None | 216036 | 0 | 3H-RAUWOLSCINE | -5 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | PDSP KiDatabase | 334 | 4 | 1 | 4 | 4.6 | CN(C)CCCN1C2=C(C=C(C=C2)O)SC3=C1C=C(C=C3)Cl | None | |||
| 2142 | 3096 | 58 | 3H-RAUWOLSCINE | -12 | 36 | North American opossum | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | None | |||
| 4920903 | 3096 | 58 | 3H-RAUWOLSCINE | -12 | 36 | North American opossum | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | None | |||
| 502 | 3096 | 58 | 3H-RAUWOLSCINE | -12 | 36 | North American opossum | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | None | |||
| 5775 | 3096 | 58 | 3H-RAUWOLSCINE | -12 | 36 | North American opossum | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | None | |||
| CHEMBL597 | 3096 | 58 | 3H-RAUWOLSCINE | -12 | 36 | North American opossum | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | None | |||
| DB00692 | 3096 | 58 | 3H-RAUWOLSCINE | -12 | 36 | North American opossum | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | None | |||
| 135398737 | 958 | 93 | 3H-CLONIDINE | -3 | 89 | Human | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | |||
| 135398737 | 958 | 93 | 3H-RAUWOLSCINE | -3 | 89 | Human | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | |||
| 38 | 958 | 93 | 3H-CLONIDINE | -3 | 89 | Human | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | |||
| 38 | 958 | 93 | 3H-RAUWOLSCINE | -3 | 89 | Human | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | |||
| 722 | 958 | 93 | 3H-CLONIDINE | -3 | 89 | Human | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | |||
| 722 | 958 | 93 | 3H-RAUWOLSCINE | -3 | 89 | Human | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | |||
| CHEMBL42 | 958 | 93 | 3H-CLONIDINE | -3 | 89 | Human | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | |||
| CHEMBL42 | 958 | 93 | 3H-RAUWOLSCINE | -3 | 89 | Human | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | |||
| DB00363 | 958 | 93 | 3H-CLONIDINE | -3 | 89 | Human | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | |||
| DB00363 | 958 | 93 | 3H-RAUWOLSCINE | -3 | 89 | Human | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | |||
| 3075702 | 217332 | 0 | 3H-RAUWOLSCINE | 1 | 37 | Human | 6.5 | pKi | = | 6.5 | Binding | PDSP KiDatabase | 198 | 3 | 1 | 3 | 1.5 | C1CNC1COC2=CN=C(C=C2)Cl | None | |||
| 1267 | 3804 | 49 | 3H-RAUWOLSCINE | -144 | 26 | Human | 6.5 | pKi | = | 6.5 | Binding | PDSP KiDatabase | 292 | 2 | 2 | 2 | 2.8 | S=C(N1CCC(CC1)c1cnc[nH]1)NC1CCCCC1 | None | |||
| 3035905 | 3804 | 49 | 3H-RAUWOLSCINE | -144 | 26 | Human | 6.5 | pKi | = | 6.5 | Binding | PDSP KiDatabase | 292 | 2 | 2 | 2 | 2.8 | S=C(N1CCC(CC1)c1cnc[nH]1)NC1CCCCC1 | None | |||
| CHEMBL260374 | 3804 | 49 | 3H-RAUWOLSCINE | -144 | 26 | Human | 6.5 | pKi | = | 6.5 | Binding | PDSP KiDatabase | 292 | 2 | 2 | 2 | 2.8 | S=C(N1CCC(CC1)c1cnc[nH]1)NC1CCCCC1 | None | |||
| 2337 | 3256 | 77 | 3H-RAUWOLSCINE | -10 | 62 | Human | 6.5 | pKi | = | 6.5 | Binding | PDSP KiDatabase | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | None | |||
| 50 | 3256 | 77 | 3H-RAUWOLSCINE | -10 | 62 | Human | 6.5 | pKi | = | 6.5 | Binding | PDSP KiDatabase | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | None | |||
| 5002 | 3256 | 77 | 3H-RAUWOLSCINE | -10 | 62 | Human | 6.5 | pKi | = | 6.5 | Binding | PDSP KiDatabase | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | None | |||
| CHEMBL716 | 3256 | 77 | 3H-RAUWOLSCINE | -10 | 62 | Human | 6.5 | pKi | = | 6.5 | Binding | PDSP KiDatabase | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | None | |||
| DB01224 | 3256 | 77 | 3H-RAUWOLSCINE | -10 | 62 | Human | 6.5 | pKi | = | 6.5 | Binding | PDSP KiDatabase | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | None | |||
| 4209 | 3163 | 75 | 3H-RAUWOLSCINE | -229 | 33 | North American opossum | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | None | |||
| 4893 | 3163 | 75 | 3H-RAUWOLSCINE | -229 | 33 | North American opossum | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | None | |||
| 503 | 3163 | 75 | 3H-RAUWOLSCINE | -229 | 33 | North American opossum | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | None | |||
| 5385 | 3163 | 75 | 3H-RAUWOLSCINE | -229 | 33 | North American opossum | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | None | |||
| CHEMBL2 | 3163 | 75 | 3H-RAUWOLSCINE | -229 | 33 | North American opossum | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | None | |||
| DB00457 | 3163 | 75 | 3H-RAUWOLSCINE | -229 | 33 | North American opossum | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | None | |||
| 25058166 | 215960 | 0 | 3H-RX821002 | -18 | 27 | Human | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | 267 | 0 | 2 | 3 | 2.9 | CN1CCC2=CC=CC3=C2C1CC4=C3C(=C(C=C4)O)O | None | |||
| 6852389 | 215960 | 0 | 3H-RX821002 | -18 | 27 | Human | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | 267 | 0 | 2 | 3 | 2.9 | CN1CCC2=CC=CC3=C2C1CC4=C3C(=C(C=C4)O)O | None | |||
| 242 | 470 | 124 | 3H-CLONIDINE | -23 | 51 | Human | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | None | |||
| 34 | 470 | 124 | 3H-CLONIDINE | -23 | 51 | Human | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | None | |||
| 60795 | 470 | 124 | 3H-CLONIDINE | -23 | 51 | Human | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | None | |||
| CHEMBL1112 | 470 | 124 | 3H-CLONIDINE | -23 | 51 | Human | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | None | |||
| DB01238 | 470 | 124 | 3H-CLONIDINE | -23 | 51 | Human | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | None | |||
| 2726 | 919 | 68 | 3H-RAUWOLSCINE | -31 | 72 | Human | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | None | |||
| 621 | 919 | 68 | 3H-RAUWOLSCINE | -31 | 72 | Human | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | None | |||
| 83 | 919 | 68 | 3H-RAUWOLSCINE | -31 | 72 | Human | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | None | |||
| CHEMBL71 | 919 | 68 | 3H-RAUWOLSCINE | -31 | 72 | Human | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | None | |||
| DB00477 | 919 | 68 | 3H-RAUWOLSCINE | -31 | 72 | Human | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | None | |||
| 242 | 470 | 124 | 3H-CLONIDINE | -23 | 51 | Human | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | None | |||
| 34 | 470 | 124 | 3H-CLONIDINE | -23 | 51 | Human | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | None | |||
| 60795 | 470 | 124 | 3H-CLONIDINE | -23 | 51 | Human | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | None | |||
| CHEMBL1112 | 470 | 124 | 3H-CLONIDINE | -23 | 51 | Human | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | None | |||
| DB01238 | 470 | 124 | 3H-CLONIDINE | -23 | 51 | Human | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | None | |||
| 2695 | 3841 | 81 | 35S-GTPGammaS | -30 | 6 | Human | 5.4 | pKi | = | 5.4 | Binding | PDSP KiDatabase | 160 | 2 | 1 | 2 | 1.2 | c1ccc(cc1)CC1=NCCN1 | None | |||
| 5504 | 3841 | 81 | 35S-GTPGammaS | -30 | 6 | Human | 5.4 | pKi | = | 5.4 | Binding | PDSP KiDatabase | 160 | 2 | 1 | 2 | 1.2 | c1ccc(cc1)CC1=NCCN1 | None | |||
| 7310 | 3841 | 81 | 35S-GTPGammaS | -30 | 6 | Human | 5.4 | pKi | = | 5.4 | Binding | PDSP KiDatabase | 160 | 2 | 1 | 2 | 1.2 | c1ccc(cc1)CC1=NCCN1 | None | |||
| CHEMBL770 | 3841 | 81 | 35S-GTPGammaS | -30 | 6 | Human | 5.4 | pKi | = | 5.4 | Binding | PDSP KiDatabase | 160 | 2 | 1 | 2 | 1.2 | c1ccc(cc1)CC1=NCCN1 | None | |||
| DB00797 | 3841 | 81 | 35S-GTPGammaS | -30 | 6 | Human | 5.4 | pKi | = | 5.4 | Binding | PDSP KiDatabase | 160 | 2 | 1 | 2 | 1.2 | c1ccc(cc1)CC1=NCCN1 | None | |||
| 16362 | 3125 | 71 | 3H-CLONIDINE | -263 | 30 | Human | 6.4 | pKi | = | 6.4 | Binding | PDSP KiDatabase | 461 | 7 | 1 | 3 | 5.9 | Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC(CC1)n1c(=O)[nH]c2c1cccc2 | None | |||
| 2172 | 3125 | 71 | 3H-CLONIDINE | -263 | 30 | Human | 6.4 | pKi | = | 6.4 | Binding | PDSP KiDatabase | 461 | 7 | 1 | 3 | 5.9 | Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC(CC1)n1c(=O)[nH]c2c1cccc2 | None | |||
| 90 | 3125 | 71 | 3H-CLONIDINE | -263 | 30 | Human | 6.4 | pKi | = | 6.4 | Binding | PDSP KiDatabase | 461 | 7 | 1 | 3 | 5.9 | Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC(CC1)n1c(=O)[nH]c2c1cccc2 | None | |||
| CHEMBL1423 | 3125 | 71 | 3H-CLONIDINE | -263 | 30 | Human | 6.4 | pKi | = | 6.4 | Binding | PDSP KiDatabase | 461 | 7 | 1 | 3 | 5.9 | Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC(CC1)n1c(=O)[nH]c2c1cccc2 | None | |||
| DB01100 | 3125 | 71 | 3H-CLONIDINE | -263 | 30 | Human | 6.4 | pKi | = | 6.4 | Binding | PDSP KiDatabase | 461 | 7 | 1 | 3 | 5.9 | Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC(CC1)n1c(=O)[nH]c2c1cccc2 | None | |||
| 242 | 470 | 124 | 3H-CLONIDINE | -23 | 51 | Human | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | None | |||
| 34 | 470 | 124 | 3H-CLONIDINE | -23 | 51 | Human | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | None | |||
| 60795 | 470 | 124 | 3H-CLONIDINE | -23 | 51 | Human | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | None | |||
| CHEMBL1112 | 470 | 124 | 3H-CLONIDINE | -23 | 51 | Human | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | None | |||
| DB01238 | 470 | 124 | 3H-CLONIDINE | -23 | 51 | Human | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | None | |||
| 1343 | 1889 | 62 | 35S-GTPGammaS | -251 | 9 | Human | 5.4 | pKi | = | 5.4 | Binding | PDSP KiDatabase | 245 | 2 | 2 | 1 | 1.3 | O=C(Cc1c(Cl)cccc1Cl)N=C(N)N | None | |||
| 3519 | 1889 | 62 | 35S-GTPGammaS | -251 | 9 | Human | 5.4 | pKi | = | 5.4 | Binding | PDSP KiDatabase | 245 | 2 | 2 | 1 | 1.3 | O=C(Cc1c(Cl)cccc1Cl)N=C(N)N | None | |||
| 522 | 1889 | 62 | 35S-GTPGammaS | -251 | 9 | Human | 5.4 | pKi | = | 5.4 | Binding | PDSP KiDatabase | 245 | 2 | 2 | 1 | 1.3 | O=C(Cc1c(Cl)cccc1Cl)N=C(N)N | None | |||
| CHEMBL862 | 1889 | 62 | 35S-GTPGammaS | -251 | 9 | Human | 5.4 | pKi | = | 5.4 | Binding | PDSP KiDatabase | 245 | 2 | 2 | 1 | 1.3 | O=C(Cc1c(Cl)cccc1Cl)N=C(N)N | None | |||
| DB01018 | 1889 | 62 | 35S-GTPGammaS | -251 | 9 | Human | 5.4 | pKi | = | 5.4 | Binding | PDSP KiDatabase | 245 | 2 | 2 | 1 | 1.3 | O=C(Cc1c(Cl)cccc1Cl)N=C(N)N | None | |||
| 214 | 3860 | 58 | 3H-CLONIDINE | -60 | 30 | Human | 6.4 | pKi | = | 6.4 | Binding | PDSP KiDatabase | 407 | 4 | 0 | 4 | 4.9 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | None | |||
| 2740 | 3860 | 58 | 3H-CLONIDINE | -60 | 30 | Human | 6.4 | pKi | = | 6.4 | Binding | PDSP KiDatabase | 407 | 4 | 0 | 4 | 4.9 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | None | |||
| 5566 | 3860 | 58 | 3H-CLONIDINE | -60 | 30 | Human | 6.4 | pKi | = | 6.4 | Binding | PDSP KiDatabase | 407 | 4 | 0 | 4 | 4.9 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | None | |||
| 66064 | 3860 | 58 | 3H-CLONIDINE | -60 | 30 | Human | 6.4 | pKi | = | 6.4 | Binding | PDSP KiDatabase | 407 | 4 | 0 | 4 | 4.9 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | None | |||
| CHEMBL422 | 3860 | 58 | 3H-CLONIDINE | -60 | 30 | Human | 6.4 | pKi | = | 6.4 | Binding | PDSP KiDatabase | 407 | 4 | 0 | 4 | 4.9 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | None | |||
| DB00831 | 3860 | 58 | 3H-CLONIDINE | -60 | 30 | Human | 6.4 | pKi | = | 6.4 | Binding | PDSP KiDatabase | 407 | 4 | 0 | 4 | 4.9 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | None | |||
| None | 217653 | 0 | UNDEFINED | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | PDSP KiDatabase | 464 | 4 | 8 | 12 | -0.5 | C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OC4C(C(C(C(O4)CO)O)O)O)O)O | None | |||
| 135398737 | 958 | 93 | 3H-RAUWOLSCINE | -3 | 89 | Human | 8.4 | pKi | = | 8.4 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | |||
| 38 | 958 | 93 | 3H-RAUWOLSCINE | -3 | 89 | Human | 8.4 | pKi | = | 8.4 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | |||
| 722 | 958 | 93 | 3H-RAUWOLSCINE | -3 | 89 | Human | 8.4 | pKi | = | 8.4 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | |||
| CHEMBL42 | 958 | 93 | 3H-RAUWOLSCINE | -3 | 89 | Human | 8.4 | pKi | = | 8.4 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | |||
| DB00363 | 958 | 93 | 3H-RAUWOLSCINE | -3 | 89 | Human | 8.4 | pKi | = | 8.4 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | |||
| 44438166 | 93817 | 0 | UNDEFINED | 33 | 3 | Human | 8.4 | pKi | = | 8.4 | Binding | PDSP KiDatabase | 467 | 8 | 2 | 7 | 3.5 | COc1cc2c(cc1OC)CN(Cc1ccc(OC)c3oc(C(=O)NCC(C)(C)N)cc13)CC2 | None | |||
| CHEMBL247664 | 93817 | 0 | UNDEFINED | 33 | 3 | Human | 8.4 | pKi | = | 8.4 | Binding | PDSP KiDatabase | 467 | 8 | 2 | 7 | 3.5 | COc1cc2c(cc1OC)CN(Cc1ccc(OC)c3oc(C(=O)NCC(C)(C)N)cc13)CC2 | None | |||
| 135 | 2532 | 43 | 3H-RAUWOLSCINE | -14 | 58 | North American opossum | 8.4 | pKi | = | 8.4 | Binding | PDSP KiDatabase | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | None | |||
| 1796 | 2532 | 43 | 3H-RAUWOLSCINE | -14 | 58 | North American opossum | 8.4 | pKi | = | 8.4 | Binding | PDSP KiDatabase | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | None | |||
| 4184 | 2532 | 43 | 3H-RAUWOLSCINE | -14 | 58 | North American opossum | 8.4 | pKi | = | 8.4 | Binding | PDSP KiDatabase | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | None | |||
| CHEMBL6437 | 2532 | 43 | 3H-RAUWOLSCINE | -14 | 58 | North American opossum | 8.4 | pKi | = | 8.4 | Binding | PDSP KiDatabase | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | None | |||
| DB06148 | 2532 | 43 | 3H-RAUWOLSCINE | -14 | 58 | North American opossum | 8.4 | pKi | = | 8.4 | Binding | PDSP KiDatabase | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | None | |||
| 3652 | 46244 | 70 | None | -2 | 9 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 335 | 9 | 2 | 4 | 3.8 | CCN(CCO)CCCC(C)Nc1ccnc2cc(Cl)ccc12 | None | |||
| CHEMBL1535 | 46244 | 70 | None | -2 | 9 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 335 | 9 | 2 | 4 | 3.8 | CCN(CCO)CCCC(C)Nc1ccnc2cc(Cl)ccc12 | None | |||
| None | 216329 | 0 | 3H-CLONIDINE | -2 | 28 | Human | 5.4 | pKi | = | 5.4 | Binding | PDSP KiDatabase | 464 | 4 | 8 | 12 | -0.6 | C1=CC(=C(C=C1C2=C(C(=C3C(=CC(=O)C=C3O2)O)O)OC4C(C(C(C(O4)CO)O)O)O)O)O | None | |||
| 11079 | 2733 | 63 | 35S-GTPGammaS | -2 | 5 | Human | 6.4 | pKi | = | 6.4 | Binding | PDSP KiDatabase | 210 | 2 | 1 | 2 | 2.4 | C1CN=C(N1)Cc1cccc2c1cccc2 | None | |||
| 3369 | 2733 | 63 | 35S-GTPGammaS | -2 | 5 | Human | 6.4 | pKi | = | 6.4 | Binding | PDSP KiDatabase | 210 | 2 | 1 | 2 | 2.4 | C1CN=C(N1)Cc1cccc2c1cccc2 | None | |||
| 4436 | 2733 | 63 | 35S-GTPGammaS | -2 | 5 | Human | 6.4 | pKi | = | 6.4 | Binding | PDSP KiDatabase | 210 | 2 | 1 | 2 | 2.4 | C1CN=C(N1)Cc1cccc2c1cccc2 | None | |||
| 5509 | 2733 | 63 | 35S-GTPGammaS | -2 | 5 | Human | 6.4 | pKi | = | 6.4 | Binding | PDSP KiDatabase | 210 | 2 | 1 | 2 | 2.4 | C1CN=C(N1)Cc1cccc2c1cccc2 | None | |||
| CHEMBL761 | 2733 | 63 | 35S-GTPGammaS | -2 | 5 | Human | 6.4 | pKi | = | 6.4 | Binding | PDSP KiDatabase | 210 | 2 | 1 | 2 | 2.4 | C1CN=C(N1)Cc1cccc2c1cccc2 | None | |||
| DB06711 | 2733 | 63 | 35S-GTPGammaS | -2 | 5 | Human | 6.4 | pKi | = | 6.4 | Binding | PDSP KiDatabase | 210 | 2 | 1 | 2 | 2.4 | C1CN=C(N1)Cc1cccc2c1cccc2 | None | |||
| 2726 | 919 | 68 | 3H-RAUWOLSCINE | -31 | 72 | Human | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | None | |||
| 621 | 919 | 68 | 3H-RAUWOLSCINE | -31 | 72 | Human | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | None | |||
| 83 | 919 | 68 | 3H-RAUWOLSCINE | -31 | 72 | Human | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | None | |||
| CHEMBL71 | 919 | 68 | 3H-RAUWOLSCINE | -31 | 72 | Human | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | None | |||
| DB00477 | 919 | 68 | 3H-RAUWOLSCINE | -31 | 72 | Human | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | None | |||
| 6852400 | 215937 | 0 | 3H-RAUWOLSCINE | -104 | 22 | Human | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | 361 | 0 | 1 | 2 | 4.8 | CC(C)(C)C1(CCN2CC3C4=CC=CC=C4CCC5=C3C(=CC=C5)C2C1)O | None | |||
| 73759726 | 215937 | 0 | 3H-RAUWOLSCINE | -104 | 22 | Human | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | 361 | 0 | 1 | 2 | 4.8 | CC(C)(C)C1(CCN2CC3C4=CC=CC=C4CCC5=C3C(=CC=C5)C2C1)O | None | |||
| 104870 | 98880 | 47 | 3H-RX821002 | -3 | 21 | Human | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | 209 | 2 | 1 | 4 | 1.3 | C=CCN1CCc2nc(N)sc2CC1 | None | |||
| 5374 | 98880 | 47 | 3H-RX821002 | -3 | 21 | Human | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | 209 | 2 | 1 | 4 | 1.3 | C=CCN1CCc2nc(N)sc2CC1 | None | |||
| CHEMBL279085 | 98880 | 47 | 3H-RX821002 | -3 | 21 | Human | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | 209 | 2 | 1 | 4 | 1.3 | C=CCN1CCc2nc(N)sc2CC1 | None | |||
| 122295 | 9868 | 7 | 3H-RAUWOLSCINE | -1 | 9 | Human | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | 279 | 3 | 0 | 2 | 3.7 | CC(C)=CCOc1ccc(Cl)c2c1CCN(C)CC2 | None | |||
| CHEMBL114166 | 9868 | 7 | 3H-RAUWOLSCINE | -1 | 9 | Human | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | 279 | 3 | 0 | 2 | 3.7 | CC(C)=CCOc1ccc(Cl)c2c1CCN(C)CC2 | None | |||
| None | 216239 | 0 | 3H-CLONIDINE | -27542 | 30 | Human | 5.4 | pKi | = | 5.4 | Binding | PDSP KiDatabase | 316 | 7 | 3 | 3 | 3.0 | CC(CF)NCC(COC1=CC=CC2=C1C3=CC=CC=C3N2)O | None | |||
| 3952 | 1888 | 38 | 35S-GTPGammaS | -19 | 12 | Human | 6.4 | pKi | = | 6.4 | Binding | PDSP KiDatabase | 230 | 2 | 2 | 2 | 1.6 | NC(=N/N=C\c1c(Cl)cccc1Cl)N | None | |||
| 5353646 | 1888 | 38 | 35S-GTPGammaS | -19 | 12 | Human | 6.4 | pKi | = | 6.4 | Binding | PDSP KiDatabase | 230 | 2 | 2 | 2 | 1.6 | NC(=N/N=C\c1c(Cl)cccc1Cl)N | None | |||
| 5443 | 1888 | 38 | 35S-GTPGammaS | -19 | 12 | Human | 6.4 | pKi | = | 6.4 | Binding | PDSP KiDatabase | 230 | 2 | 2 | 2 | 1.6 | NC(=N/N=C\c1c(Cl)cccc1Cl)N | None | |||
| 5702063 | 1888 | 38 | 35S-GTPGammaS | -19 | 12 | Human | 6.4 | pKi | = | 6.4 | Binding | PDSP KiDatabase | 230 | 2 | 2 | 2 | 1.6 | NC(=N/N=C\c1c(Cl)cccc1Cl)N | None | |||
| CHEMBL1331786 | 1888 | 38 | 35S-GTPGammaS | -19 | 12 | Human | 6.4 | pKi | = | 6.4 | Binding | PDSP KiDatabase | 230 | 2 | 2 | 2 | 1.6 | NC(=N/N=C\c1c(Cl)cccc1Cl)N | None | |||
| CHEMBL420 | 1888 | 38 | 35S-GTPGammaS | -19 | 12 | Human | 6.4 | pKi | = | 6.4 | Binding | PDSP KiDatabase | 230 | 2 | 2 | 2 | 1.6 | NC(=N/N=C\c1c(Cl)cccc1Cl)N | None | |||
| 45266826 | 217691 | 0 | 3H-RAUWOLSCINE | -6 | 8 | Human | 5.4 | pKi | = | 5.4 | Binding | PDSP KiDatabase | 177 | 3 | 1 | 2 | 1.8 | CC1=CC=C(C=C1)C(=O)C(C)NC | None | |||
| 2435 | 3590 | 83 | 3H-CLONIDINE | -104 | 48 | Human | 6.4 | pKi | = | 6.4 | Binding | PDSP KiDatabase | 440 | 5 | 1 | 3 | 4.6 | Clc1ccc2c(c1)c(cn2c1ccc(cc1)F)C1CCN(CC1)CCN1CCNC1=O | None | |||
| 2435 | 3590 | 83 | 3H-RAUWOLSCINE | -104 | 48 | Human | 6.4 | pKi | = | 6.4 | Binding | PDSP KiDatabase | 440 | 5 | 1 | 3 | 4.6 | Clc1ccc2c(c1)c(cn2c1ccc(cc1)F)C1CCN(CC1)CCN1CCNC1=O | None | |||
| 60149 | 3590 | 83 | 3H-CLONIDINE | -104 | 48 | Human | 6.4 | pKi | = | 6.4 | Binding | PDSP KiDatabase | 440 | 5 | 1 | 3 | 4.6 | Clc1ccc2c(c1)c(cn2c1ccc(cc1)F)C1CCN(CC1)CCN1CCNC1=O | None | |||
| 60149 | 3590 | 83 | 3H-RAUWOLSCINE | -104 | 48 | Human | 6.4 | pKi | = | 6.4 | Binding | PDSP KiDatabase | 440 | 5 | 1 | 3 | 4.6 | Clc1ccc2c(c1)c(cn2c1ccc(cc1)F)C1CCN(CC1)CCN1CCNC1=O | None | |||
| 98 | 3590 | 83 | 3H-CLONIDINE | -104 | 48 | Human | 6.4 | pKi | = | 6.4 | Binding | PDSP KiDatabase | 440 | 5 | 1 | 3 | 4.6 | Clc1ccc2c(c1)c(cn2c1ccc(cc1)F)C1CCN(CC1)CCN1CCNC1=O | None | |||
| 98 | 3590 | 83 | 3H-RAUWOLSCINE | -104 | 48 | Human | 6.4 | pKi | = | 6.4 | Binding | PDSP KiDatabase | 440 | 5 | 1 | 3 | 4.6 | Clc1ccc2c(c1)c(cn2c1ccc(cc1)F)C1CCN(CC1)CCN1CCNC1=O | None | |||
| CHEMBL12713 | 3590 | 83 | 3H-CLONIDINE | -104 | 48 | Human | 6.4 | pKi | = | 6.4 | Binding | PDSP KiDatabase | 440 | 5 | 1 | 3 | 4.6 | Clc1ccc2c(c1)c(cn2c1ccc(cc1)F)C1CCN(CC1)CCN1CCNC1=O | None | |||
| CHEMBL12713 | 3590 | 83 | 3H-RAUWOLSCINE | -104 | 48 | Human | 6.4 | pKi | = | 6.4 | Binding | PDSP KiDatabase | 440 | 5 | 1 | 3 | 4.6 | Clc1ccc2c(c1)c(cn2c1ccc(cc1)F)C1CCN(CC1)CCN1CCNC1=O | None | |||
| DB06144 | 3590 | 83 | 3H-CLONIDINE | -104 | 48 | Human | 6.4 | pKi | = | 6.4 | Binding | PDSP KiDatabase | 440 | 5 | 1 | 3 | 4.6 | Clc1ccc2c(c1)c(cn2c1ccc(cc1)F)C1CCN(CC1)CCN1CCNC1=O | None | |||
| DB06144 | 3590 | 83 | 3H-RAUWOLSCINE | -104 | 48 | Human | 6.4 | pKi | = | 6.4 | Binding | PDSP KiDatabase | 440 | 5 | 1 | 3 | 4.6 | Clc1ccc2c(c1)c(cn2c1ccc(cc1)F)C1CCN(CC1)CCN1CCNC1=O | None | |||
| 2726 | 919 | 68 | 3H-CLONIDINE | -31 | 72 | Human | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | None | |||
| 621 | 919 | 68 | 3H-CLONIDINE | -31 | 72 | Human | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | None | |||
| 83 | 919 | 68 | 3H-CLONIDINE | -31 | 72 | Human | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | None | |||
| CHEMBL71 | 919 | 68 | 3H-CLONIDINE | -31 | 72 | Human | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | None | |||
| DB00477 | 919 | 68 | 3H-CLONIDINE | -31 | 72 | Human | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | None | |||
| 68712 | 100338 | 60 | 35S-GTPGammaS | -1 | 5 | Human | 5.3 | pKi | = | 5.3 | Binding | PDSP KiDatabase | 180 | 3 | 1 | 3 | 1.2 | C1COC(NC(C2CC2)C2CC2)=N1 | None | |||
| CHEMBL289480 | 100338 | 60 | 35S-GTPGammaS | -1 | 5 | Human | 5.3 | pKi | = | 5.3 | Binding | PDSP KiDatabase | 180 | 3 | 1 | 3 | 1.2 | C1COC(NC(C2CC2)C2CC2)=N1 | None | |||
| 122211 | 462 | 0 | 3H-RAUWOLSCINE | -30 | 6 | North American opossum | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 406 | 5 | 0 | 5 | 3.6 | COc1ccccc1N1CCN(CC1)CCC1C(=O)c2ccccc2C(C1=O)(C)C | None | |||
| 524 | 462 | 0 | 3H-RAUWOLSCINE | -30 | 6 | North American opossum | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 406 | 5 | 0 | 5 | 3.6 | COc1ccccc1N1CCN(CC1)CCC1C(=O)c2ccccc2C(C1=O)(C)C | None | |||
| 2719 | 917 | 74 | None | -6 | 11 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 319 | 8 | 1 | 3 | 4.8 | CCN(CCCC(Nc1ccnc2c1ccc(c2)Cl)C)CC | None | |||
| 5535 | 917 | 74 | None | -6 | 11 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 319 | 8 | 1 | 3 | 4.8 | CCN(CCCC(Nc1ccnc2c1ccc(c2)Cl)C)CC | None | |||
| 607 | 917 | 74 | None | -6 | 11 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 319 | 8 | 1 | 3 | 4.8 | CCN(CCCC(Nc1ccnc2c1ccc(c2)Cl)C)CC | None | |||
| CHEMBL76 | 917 | 74 | None | -6 | 11 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 319 | 8 | 1 | 3 | 4.8 | CCN(CCCC(Nc1ccnc2c1ccc(c2)Cl)C)CC | None | |||
| DB00608 | 917 | 74 | None | -6 | 11 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 319 | 8 | 1 | 3 | 4.8 | CCN(CCCC(Nc1ccnc2c1ccc(c2)Cl)C)CC | None | |||
| 164512323 | 216031 | 0 | 3H-RAUWOLSCINE | 5 | 5 | Human | 8.3 | pKi | = | 8.3 | Binding | PDSP KiDatabase | 352 | 1 | 1 | 4 | 3.2 | CC1C2CN3CCC4=C(C3CC2C(=CO1)C(=O)OC)NC5=CC=CC=C45 | None | |||
| 6419959 | 216031 | 0 | 3H-RAUWOLSCINE | 5 | 5 | Human | 8.3 | pKi | = | 8.3 | Binding | PDSP KiDatabase | 352 | 1 | 1 | 4 | 3.2 | CC1C2CN3CCC4=C(C3CC2C(=CO1)C(=O)OC)NC5=CC=CC=C45 | None | |||
| 2142 | 3096 | 58 | 3H-RX821002 | -7 | 36 | Human | 8.3 | pKi | = | 8.3 | Binding | PDSP KiDatabase | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | None | |||
| 4920903 | 3096 | 58 | 3H-RX821002 | -7 | 36 | Human | 8.3 | pKi | = | 8.3 | Binding | PDSP KiDatabase | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | None | |||
| 502 | 3096 | 58 | 3H-RX821002 | -7 | 36 | Human | 8.3 | pKi | = | 8.3 | Binding | PDSP KiDatabase | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | None | |||
| 5775 | 3096 | 58 | 3H-RX821002 | -7 | 36 | Human | 8.3 | pKi | = | 8.3 | Binding | PDSP KiDatabase | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | None | |||
| CHEMBL597 | 3096 | 58 | 3H-RX821002 | -7 | 36 | Human | 8.3 | pKi | = | 8.3 | Binding | PDSP KiDatabase | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | None | |||
| DB00692 | 3096 | 58 | 3H-RX821002 | -7 | 36 | Human | 8.3 | pKi | = | 8.3 | Binding | PDSP KiDatabase | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | None | |||
| 5280805 | 85405 | 81 | None | -29 | 3 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 610 | 6 | 10 | 16 | -1.7 | C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3c(-c4ccc(O)c(O)c4)oc4cc(O)cc(O)c4c3=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O | None | |||
| CHEMBL226335 | 85405 | 81 | None | -29 | 3 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 610 | 6 | 10 | 16 | -1.7 | C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3c(-c4ccc(O)c(O)c4)oc4cc(O)cc(O)c4c3=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O | None | |||
| 135 | 2532 | 43 | 3H-RAUWOLSCINE | -6 | 58 | Human | 8.3 | pKi | = | 8.3 | Binding | PDSP KiDatabase | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | None | |||
| 1796 | 2532 | 43 | 3H-RAUWOLSCINE | -6 | 58 | Human | 8.3 | pKi | = | 8.3 | Binding | PDSP KiDatabase | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | None | |||
| 4184 | 2532 | 43 | 3H-RAUWOLSCINE | -6 | 58 | Human | 8.3 | pKi | = | 8.3 | Binding | PDSP KiDatabase | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | None | |||
| CHEMBL6437 | 2532 | 43 | 3H-RAUWOLSCINE | -6 | 58 | Human | 8.3 | pKi | = | 8.3 | Binding | PDSP KiDatabase | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | None | |||
| DB06148 | 2532 | 43 | 3H-RAUWOLSCINE | -6 | 58 | Human | 8.3 | pKi | = | 8.3 | Binding | PDSP KiDatabase | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | None | |||
| 2695 | 3841 | 81 | None | -30 | 6 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 160 | 2 | 1 | 2 | 1.2 | c1ccc(cc1)CC1=NCCN1 | None | |||
| 5504 | 3841 | 81 | None | -30 | 6 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 160 | 2 | 1 | 2 | 1.2 | c1ccc(cc1)CC1=NCCN1 | None | |||
| 7310 | 3841 | 81 | None | -30 | 6 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 160 | 2 | 1 | 2 | 1.2 | c1ccc(cc1)CC1=NCCN1 | None | |||
| CHEMBL770 | 3841 | 81 | None | -30 | 6 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 160 | 2 | 1 | 2 | 1.2 | c1ccc(cc1)CC1=NCCN1 | None | |||
| DB00797 | 3841 | 81 | None | -30 | 6 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 160 | 2 | 1 | 2 | 1.2 | c1ccc(cc1)CC1=NCCN1 | None | |||
| 222757 | 99376 | 73 | None | 1 | 3 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 376 | 2 | 1 | 3 | 5.1 | C[C@]12CC[C@@H]3c4ccc(OC(=O)c5ccccc5)cc4CC[C@H]3[C@@H]1CC[C@@H]2O | None | |||
| CHEMBL282575 | 99376 | 73 | None | 1 | 3 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 376 | 2 | 1 | 3 | 5.1 | C[C@]12CC[C@@H]3c4ccc(OC(=O)c5ccccc5)cc4CC[C@H]3[C@@H]1CC[C@@H]2O | None | |||
| 28417 | 40039 | 49 | None | -1 | 12 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 337 | 0 | 1 | 3 | 4.2 | C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=Cc5oncc5C[C@]4(C)[C@H]3CC[C@@]21C | None | |||
| CHEMBL1479 | 40039 | 49 | None | -1 | 12 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 337 | 0 | 1 | 3 | 4.2 | C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=Cc5oncc5C[C@]4(C)[C@H]3CC[C@@]21C | None | |||
| 448537 | 160250 | 89 | None | -21 | 25 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 268 | 4 | 2 | 2 | 4.8 | CC/C(=C(/CC)c1ccc(O)cc1)c1ccc(O)cc1 | None | |||
| CHEMBL411 | 160250 | 89 | None | -21 | 25 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 268 | 4 | 2 | 2 | 4.8 | CC/C(=C(/CC)c1ccc(O)cc1)c1ccc(O)cc1 | None | |||
| 12574 | 2605 | 88 | None | -87 | 6 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 241 | 2 | 2 | 6 | 0.8 | CC1=NC(=C(C(=N1)Cl)NC2=NCCN2)OC | None | |||
| 4810 | 2605 | 88 | None | -87 | 6 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 241 | 2 | 2 | 6 | 0.8 | CC1=NC(=C(C(=N1)Cl)NC2=NCCN2)OC | None | |||
| CHEMBL19236 | 2605 | 88 | None | -87 | 6 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 241 | 2 | 2 | 6 | 0.8 | CC1=NC(=C(C(=N1)Cl)NC2=NCCN2)OC | None | |||
| DB09242 | 2605 | 88 | None | -87 | 6 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 241 | 2 | 2 | 6 | 0.8 | CC1=NC(=C(C(=N1)Cl)NC2=NCCN2)OC | None | |||
| 6018 | 11065 | 96 | None | -1 | 3 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 317 | 4 | 0 | 4 | 3.2 | COc1cc2c(cc1OC)C1CC(=O)C(CC(C)C)CN1CC2 | None | |||
| CHEMBL117785 | 11065 | 96 | None | -1 | 3 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 317 | 4 | 0 | 4 | 3.2 | COc1cc2c(cc1OC)C1CC(=O)C(CC(C)C)CN1CC2 | None | |||
| 2402 | 3370 | 62 | None | -5 | 24 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 260 | 7 | 1 | 2 | 3.5 | CCCN(CCC)CCc1cccc2c1CC(=N2)O | None | |||
| 5095 | 3370 | 62 | None | -5 | 24 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 260 | 7 | 1 | 2 | 3.5 | CCCN(CCC)CCc1cccc2c1CC(=N2)O | None | |||
| 7295 | 3370 | 62 | None | -5 | 24 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 260 | 7 | 1 | 2 | 3.5 | CCCN(CCC)CCc1cccc2c1CC(=N2)O | None | |||
| CHEMBL589 | 3370 | 62 | None | -5 | 24 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 260 | 7 | 1 | 2 | 3.5 | CCCN(CCC)CCc1cccc2c1CC(=N2)O | None | |||
| DB00268 | 3370 | 62 | None | -5 | 24 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 260 | 7 | 1 | 2 | 3.5 | CCCN(CCC)CCc1cccc2c1CC(=N2)O | None | |||
| 104903 | 56344 | 17 | None | -1 | 6 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 624 | 6 | 0 | 8 | 5.5 | C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)C3=CC[C@]2(C)[C@H]1C(=O)CN1CCN(c2cc(N3CCCC3)nc(N3CCCC3)n2)CC1 | None | |||
| CHEMBL1630578 | 56344 | 17 | None | -1 | 6 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 624 | 6 | 0 | 8 | 5.5 | C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)C3=CC[C@]2(C)[C@H]1C(=O)CN1CCN(c2cc(N3CCCC3)nc(N3CCCC3)n2)CC1 | None | |||
| 3598 | 187821 | 76 | None | -1 | 7 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 404 | 2 | 2 | 2 | 6.6 | Oc1c(Cl)cc(Cl)c(Cl)c1Cc1c(O)c(Cl)cc(Cl)c1Cl | None | |||
| CHEMBL496 | 187821 | 76 | None | -1 | 7 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 404 | 2 | 2 | 2 | 6.6 | Oc1c(Cl)cc(Cl)c(Cl)c1Cc1c(O)c(Cl)cc(Cl)c1Cl | None | |||
| 2803 | 955 | 58 | 35S-GTPGammaS | -4 | 19 | Human | 6.3 | pKi | = | 6.3 | Binding | PDSP KiDatabase | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | None | |||
| 516 | 955 | 58 | 35S-GTPGammaS | -4 | 19 | Human | 6.3 | pKi | = | 6.3 | Binding | PDSP KiDatabase | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | None | |||
| 704 | 955 | 58 | 35S-GTPGammaS | -4 | 19 | Human | 6.3 | pKi | = | 6.3 | Binding | PDSP KiDatabase | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | None | |||
| CHEMBL134 | 955 | 58 | 35S-GTPGammaS | -4 | 19 | Human | 6.3 | pKi | = | 6.3 | Binding | PDSP KiDatabase | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | None | |||
| DB00575 | 955 | 58 | 35S-GTPGammaS | -4 | 19 | Human | 6.3 | pKi | = | 6.3 | Binding | PDSP KiDatabase | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | None | |||
| 11954259 | 215979 | 0 | 3H-CLONIDINE | -173 | 43 | Human | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 443 | 5 | 0 | 5 | 3.5 | CN1CCN(CC1)CCC=C2C3=CC=CC=C3SC4=C2C=C(C=C4)S(=O)(=O)N(C)C | None | |||
| 11954259 | 215979 | 0 | 3H-CLONIDINE | -173 | 43 | Human | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 443 | 5 | 0 | 5 | 3.5 | CN1CCN(CC1)CCC=C2C3=CC=CC=C3SC4=C2C=C(C=C4)S(=O)(=O)N(C)C | None | |||
| 119570 | 3159 | 96 | 3H-CLONIDINE | -89 | 40 | Human | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 211 | 3 | 2 | 4 | 1.6 | CCCN[C@H]1CCc2c(C1)sc(n2)N | None | |||
| 2233 | 3159 | 96 | 3H-CLONIDINE | -89 | 40 | Human | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 211 | 3 | 2 | 4 | 1.6 | CCCN[C@H]1CCc2c(C1)sc(n2)N | None | |||
| 953 | 3159 | 96 | 3H-CLONIDINE | -89 | 40 | Human | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 211 | 3 | 2 | 4 | 1.6 | CCCN[C@H]1CCc2c(C1)sc(n2)N | None | |||
| CHEMBL301265 | 3159 | 96 | 3H-CLONIDINE | -89 | 40 | Human | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 211 | 3 | 2 | 4 | 1.6 | CCCN[C@H]1CCc2c(C1)sc(n2)N | None | |||
| DB00413 | 3159 | 96 | 3H-CLONIDINE | -89 | 40 | Human | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 211 | 3 | 2 | 4 | 1.6 | CCCN[C@H]1CCc2c(C1)sc(n2)N | None | |||
| 100 | 3805 | 58 | 3H-RAUWOLSCINE | -27 | 55 | Human | 6.3 | pKi | = | 6.3 | Binding | PDSP KiDatabase | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | None | |||
| 2637 | 3805 | 58 | 3H-RAUWOLSCINE | -27 | 55 | Human | 6.3 | pKi | = | 6.3 | Binding | PDSP KiDatabase | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | None | |||
| 5452 | 3805 | 58 | 3H-RAUWOLSCINE | -27 | 55 | Human | 6.3 | pKi | = | 6.3 | Binding | PDSP KiDatabase | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | None | |||
| CHEMBL479 | 3805 | 58 | 3H-RAUWOLSCINE | -27 | 55 | Human | 6.3 | pKi | = | 6.3 | Binding | PDSP KiDatabase | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | None | |||
| DB00679 | 3805 | 58 | 3H-RAUWOLSCINE | -27 | 55 | Human | 6.3 | pKi | = | 6.3 | Binding | PDSP KiDatabase | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | None | |||
| 1353 | 1911 | 93 | 3H-CLONIDINE | -87 | 83 | Human | 6.3 | pKi | = | 6.3 | Binding | PDSP KiDatabase | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | None | |||
| 1353 | 1911 | 93 | 3H-RAUWOLSCINE | -87 | 83 | Human | 6.3 | pKi | = | 6.3 | Binding | PDSP KiDatabase | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | None | |||
| 3559 | 1911 | 93 | 3H-CLONIDINE | -87 | 83 | Human | 6.3 | pKi | = | 6.3 | Binding | PDSP KiDatabase | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | None | |||
| 3559 | 1911 | 93 | 3H-RAUWOLSCINE | -87 | 83 | Human | 6.3 | pKi | = | 6.3 | Binding | PDSP KiDatabase | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | None | |||
| 86 | 1911 | 93 | 3H-CLONIDINE | -87 | 83 | Human | 6.3 | pKi | = | 6.3 | Binding | PDSP KiDatabase | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | None | |||
| 86 | 1911 | 93 | 3H-RAUWOLSCINE | -87 | 83 | Human | 6.3 | pKi | = | 6.3 | Binding | PDSP KiDatabase | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | None | |||
| CHEMBL54 | 1911 | 93 | 3H-CLONIDINE | -87 | 83 | Human | 6.3 | pKi | = | 6.3 | Binding | PDSP KiDatabase | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | None | |||
| CHEMBL54 | 1911 | 93 | 3H-RAUWOLSCINE | -87 | 83 | Human | 6.3 | pKi | = | 6.3 | Binding | PDSP KiDatabase | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | None | |||
| DB00502 | 1911 | 93 | 3H-CLONIDINE | -87 | 83 | Human | 6.3 | pKi | = | 6.3 | Binding | PDSP KiDatabase | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | None | |||
| DB00502 | 1911 | 93 | 3H-RAUWOLSCINE | -87 | 83 | Human | 6.3 | pKi | = | 6.3 | Binding | PDSP KiDatabase | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | None | |||
| 4209 | 3163 | 75 | 3H-MK912 | -181 | 33 | Human | 7.2 | pKi | = | 7.2 | Binding | PDSP KiDatabase | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | None | |||
| 4893 | 3163 | 75 | 3H-MK912 | -181 | 33 | Human | 7.2 | pKi | = | 7.2 | Binding | PDSP KiDatabase | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | None | |||
| 503 | 3163 | 75 | 3H-MK912 | -181 | 33 | Human | 7.2 | pKi | = | 7.2 | Binding | PDSP KiDatabase | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | None | |||
| 5385 | 3163 | 75 | 3H-MK912 | -181 | 33 | Human | 7.2 | pKi | = | 7.2 | Binding | PDSP KiDatabase | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | None | |||
| CHEMBL2 | 3163 | 75 | 3H-MK912 | -181 | 33 | Human | 7.2 | pKi | = | 7.2 | Binding | PDSP KiDatabase | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | None | |||
| DB00457 | 3163 | 75 | 3H-MK912 | -181 | 33 | Human | 7.2 | pKi | = | 7.2 | Binding | PDSP KiDatabase | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | None | |||
| 484 | 2858 | 51 | 35S-GTPGammaS | -2 | 35 | Human | 6.2 | pKi | = | 6.2 | Binding | PDSP KiDatabase | 169 | 2 | 4 | 4 | 0.1 | NCC(c1ccc(c(c1)O)O)O | None | |||
| 951 | 2858 | 51 | 35S-GTPGammaS | -2 | 35 | Human | 6.2 | pKi | = | 6.2 | Binding | PDSP KiDatabase | 169 | 2 | 4 | 4 | 0.1 | NCC(c1ccc(c(c1)O)O)O | None | |||
| CHEMBL432 | 2858 | 51 | 35S-GTPGammaS | -2 | 35 | Human | 6.2 | pKi | = | 6.2 | Binding | PDSP KiDatabase | 169 | 2 | 4 | 4 | 0.1 | NCC(c1ccc(c(c1)O)O)O | None | |||
| 2865 | 4143 | 73 | 3H-CLONIDINE | -64 | 53 | Human | 7.2 | pKi | = | 7.2 | Binding | PDSP KiDatabase | 412 | 4 | 1 | 5 | 3.8 | O=C1Nc2c(C1)cc(c(c2)Cl)CCN1CCN(CC1)c1nsc2c1cccc2 | None | |||
| 59 | 4143 | 73 | 3H-CLONIDINE | -64 | 53 | Human | 7.2 | pKi | = | 7.2 | Binding | PDSP KiDatabase | 412 | 4 | 1 | 5 | 3.8 | O=C1Nc2c(C1)cc(c(c2)Cl)CCN1CCN(CC1)c1nsc2c1cccc2 | None | |||
| 60854 | 4143 | 73 | 3H-CLONIDINE | -64 | 53 | Human | 7.2 | pKi | = | 7.2 | Binding | PDSP KiDatabase | 412 | 4 | 1 | 5 | 3.8 | O=C1Nc2c(C1)cc(c(c2)Cl)CCN1CCN(CC1)c1nsc2c1cccc2 | None | |||
| CHEMBL708 | 4143 | 73 | 3H-CLONIDINE | -64 | 53 | Human | 7.2 | pKi | = | 7.2 | Binding | PDSP KiDatabase | 412 | 4 | 1 | 5 | 3.8 | O=C1Nc2c(C1)cc(c(c2)Cl)CCN1CCN(CC1)c1nsc2c1cccc2 | None | |||
| DB00246 | 4143 | 73 | 3H-CLONIDINE | -64 | 53 | Human | 7.2 | pKi | = | 7.2 | Binding | PDSP KiDatabase | 412 | 4 | 1 | 5 | 3.8 | O=C1Nc2c(C1)cc(c(c2)Cl)CCN1CCN(CC1)c1nsc2c1cccc2 | None | |||
| 162265 | 202274 | 22 | 3H-CLONIDINE | -8 | 43 | Human | 6.2 | pKi | = | 6.2 | Binding | PDSP KiDatabase | 151 | 2 | 2 | 2 | 1.1 | CC(N)C(O)c1ccccc1 | None | |||
| 4786 | 202274 | 22 | 3H-CLONIDINE | -8 | 43 | Human | 6.2 | pKi | = | 6.2 | Binding | PDSP KiDatabase | 151 | 2 | 2 | 2 | 1.1 | CC(N)C(O)c1ccccc1 | None | |||
| CHEMBL61006 | 202274 | 22 | 3H-CLONIDINE | -8 | 43 | Human | 6.2 | pKi | = | 6.2 | Binding | PDSP KiDatabase | 151 | 2 | 2 | 2 | 1.1 | CC(N)C(O)c1ccccc1 | None | |||
| 4158 | 205341 | 21 | None | 1 | 21 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 233 | 3 | 1 | 3 | 2.1 | COC(=O)C(c1ccccc1)C1CCCCN1 | None | |||
| CHEMBL1722 | 205341 | 21 | None | 1 | 21 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 233 | 3 | 1 | 3 | 2.1 | COC(=O)C(c1ccccc1)C1CCCCN1 | None | |||
| CHEMBL796 | 205341 | 21 | None | 1 | 21 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 233 | 3 | 1 | 3 | 2.1 | COC(=O)C(c1ccccc1)C1CCCCN1 | None | |||
| 10836 | 14467 | 14 | None | -1 | 9 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 149 | 3 | 1 | 1 | 1.8 | CN[C@@H](C)Cc1ccccc1 | None | |||
| CHEMBL1201201 | 14467 | 14 | None | -1 | 9 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 149 | 3 | 1 | 1 | 1.8 | CN[C@@H](C)Cc1ccccc1 | None | |||
| 1836 | 2592 | 59 | None | -31 | 15 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 585 | 12 | 2 | 4 | 8.9 | OC(=O)CC1(CS[C@@H](c2cccc(c2)/C=C/c2ccc3c(n2)cc(cc3)Cl)CCc2ccccc2C(O)(C)C)CC1 | None | |||
| 3340 | 2592 | 59 | None | -31 | 15 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 585 | 12 | 2 | 4 | 8.9 | OC(=O)CC1(CS[C@@H](c2cccc(c2)/C=C/c2ccc3c(n2)cc(cc3)Cl)CCc2ccccc2C(O)(C)C)CC1 | None | |||
| 5281040 | 2592 | 59 | None | -31 | 15 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 585 | 12 | 2 | 4 | 8.9 | OC(=O)CC1(CS[C@@H](c2cccc(c2)/C=C/c2ccc3c(n2)cc(cc3)Cl)CCc2ccccc2C(O)(C)C)CC1 | None | |||
| CHEMBL787 | 2592 | 59 | None | -31 | 15 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 585 | 12 | 2 | 4 | 8.9 | OC(=O)CC1(CS[C@@H](c2cccc(c2)/C=C/c2ccc3c(n2)cc(cc3)Cl)CCc2ccccc2C(O)(C)C)CC1 | None | |||
| DB00471 | 2592 | 59 | None | -31 | 15 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 585 | 12 | 2 | 4 | 8.9 | OC(=O)CC1(CS[C@@H](c2cccc(c2)/C=C/c2ccc3c(n2)cc(cc3)Cl)CCc2ccccc2C(O)(C)C)CC1 | None | |||
| 5318 | 15576 | 49 | None | -1 | 13 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 396 | 6 | 0 | 3 | 6.5 | Clc1ccc(CSC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1 | None | |||
| CHEMBL1200348 | 15576 | 49 | None | -1 | 13 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 396 | 6 | 0 | 3 | 6.5 | Clc1ccc(CSC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1 | None | |||
| CHEMBL1221 | 15576 | 49 | None | -1 | 13 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 396 | 6 | 0 | 3 | 6.5 | Clc1ccc(CSC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1 | None | |||
| 1960 | 2857 | 67 | None | -12 | 26 | Mouse | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | None | |||
| 439260 | 2857 | 67 | None | -12 | 26 | Mouse | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | None | |||
| 505 | 2857 | 67 | None | -12 | 26 | Mouse | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | None | |||
| CHEMBL1437 | 2857 | 67 | None | -12 | 26 | Mouse | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | None | |||
| DB00368 | 2857 | 67 | None | -12 | 26 | Mouse | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | None | |||
| 68617 | 205527 | 62 | None | -9 | 26 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 305 | 2 | 1 | 1 | 5.2 | CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc21 | None | |||
| CHEMBL1709 | 205527 | 62 | None | -9 | 26 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 305 | 2 | 1 | 1 | 5.2 | CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc21 | None | |||
| CHEMBL809 | 205527 | 62 | None | -9 | 26 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 305 | 2 | 1 | 1 | 5.2 | CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc21 | None | |||
| 2406 | 100404 | 89 | None | -11 | 12 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 354 | 2 | 2 | 3 | 5.9 | Oc1c(Cl)cc(Cl)cc1Sc1cc(Cl)cc(Cl)c1O | None | |||
| CHEMBL290106 | 100404 | 89 | None | -11 | 12 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 354 | 2 | 2 | 3 | 5.9 | Oc1c(Cl)cc(Cl)cc1Sc1cc(Cl)cc(Cl)c1O | None | |||
| 5353853 | 17986 | 47 | None | -11 | 15 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 427 | 6 | 0 | 4 | 6.1 | Clc1ccc(CO/N=C(\Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1 | None | |||
| 9556529 | 17986 | 47 | None | -11 | 15 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 427 | 6 | 0 | 4 | 6.1 | Clc1ccc(CO/N=C(\Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1 | None | |||
| CHEMBL1262 | 17986 | 47 | None | -11 | 15 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 427 | 6 | 0 | 4 | 6.1 | Clc1ccc(CO/N=C(\Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1 | None | |||
| 3561 | 19077 | 39 | None | -2 | 11 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 360 | 2 | 0 | 1 | 4.4 | Clc1cc(Cl)c(OCC#CI)cc1Cl | None | |||
| CHEMBL1289 | 19077 | 39 | None | -2 | 11 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 360 | 2 | 0 | 1 | 4.4 | Clc1cc(Cl)c(OCC#CI)cc1Cl | None | |||
| 237 | 204865 | 48 | None | -1 | 13 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 399 | 9 | 1 | 4 | 6.0 | CCN(CC)CCCC(C)Nc1c2ccc(Cl)cc2nc2ccc(OC)cc12 | None | |||
| CHEMBL546257 | 204865 | 48 | None | -1 | 13 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 399 | 9 | 1 | 4 | 6.0 | CCN(CC)CCCC(C)Nc1c2ccc(Cl)cc2nc2ccc(OC)cc12 | None | |||
| CHEMBL554190 | 204865 | 48 | None | -1 | 13 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 399 | 9 | 1 | 4 | 6.0 | CCN(CC)CCCC(C)Nc1c2ccc(Cl)cc2nc2ccc(OC)cc12 | None | |||
| CHEMBL7568 | 204865 | 48 | None | -1 | 13 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 399 | 9 | 1 | 4 | 6.0 | CCN(CC)CCCC(C)Nc1c2ccc(Cl)cc2nc2ccc(OC)cc12 | None | |||
| 2600 | 3779 | 74 | None | -4 | 13 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 471 | 8 | 2 | 3 | 6.4 | OC(c1ccc(cc1)C(C)(C)C)CCCN1CCC(CC1)C(c1ccccc1)(c1ccccc1)O | None | |||
| 2608 | 3779 | 74 | None | -4 | 13 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 471 | 8 | 2 | 3 | 6.4 | OC(c1ccc(cc1)C(C)(C)C)CCCN1CCC(CC1)C(c1ccccc1)(c1ccccc1)O | None | |||
| 5405 | 3779 | 74 | None | -4 | 13 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 471 | 8 | 2 | 3 | 6.4 | OC(c1ccc(cc1)C(C)(C)C)CCCN1CCC(CC1)C(c1ccccc1)(c1ccccc1)O | None | |||
| CHEMBL17157 | 3779 | 74 | None | -4 | 13 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 471 | 8 | 2 | 3 | 6.4 | OC(c1ccc(cc1)C(C)(C)C)CCCN1CCC(CC1)C(c1ccccc1)(c1ccccc1)O | None | |||
| DB00342 | 3779 | 74 | None | -4 | 13 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 471 | 8 | 2 | 3 | 6.4 | OC(c1ccc(cc1)C(C)(C)C)CCCN1CCC(CC1)C(c1ccccc1)(c1ccccc1)O | None | |||
| 2342 | 599 | 39 | None | -1 | 6 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 404 | 6 | 0 | 6 | 2.4 | CCN(C(=O)C1CN2CCc3c(C2CC1OC(=O)C)cc(c(c3)OC)OC)CC | None | |||
| 331 | 599 | 39 | None | -1 | 6 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 404 | 6 | 0 | 6 | 2.4 | CCN(C(=O)C1CN2CCc3c(C2CC1OC(=O)C)cc(c(c3)OC)OC)CC | None | |||
| 7124 | 599 | 39 | None | -1 | 6 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 404 | 6 | 0 | 6 | 2.4 | CCN(C(=O)C1CN2CCc3c(C2CC1OC(=O)C)cc(c(c3)OC)OC)CC | None | |||
| CHEMBL1201250 | 599 | 39 | None | -1 | 6 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 404 | 6 | 0 | 6 | 2.4 | CCN(C(=O)C1CN2CCc3c(C2CC1OC(=O)C)cc(c(c3)OC)OC)CC | None | |||
| DB00767 | 599 | 39 | None | -1 | 6 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 404 | 6 | 0 | 6 | 2.4 | CCN(C(=O)C1CN2CCc3c(C2CC1OC(=O)C)cc(c(c3)OC)OC)CC | None | |||
| 1353 | 1911 | 93 | None | -87 | 83 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | None | |||
| 3559 | 1911 | 93 | None | -87 | 83 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | None | |||
| 86 | 1911 | 93 | None | -87 | 83 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | None | |||
| CHEMBL54 | 1911 | 93 | None | -87 | 83 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | None | |||
| DB00502 | 1911 | 93 | None | -87 | 83 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | None | |||
| 657255 | 199084 | 34 | None | -8 | 15 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 337 | 12 | 2 | 3 | 5.6 | CCCCCCCCN[C@H](C)[C@@H](O)c1ccc(SC(C)C)cc1 | None | |||
| CHEMBL588119 | 199084 | 34 | None | -8 | 15 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 337 | 12 | 2 | 3 | 5.6 | CCCCCCCCN[C@H](C)[C@@H](O)c1ccc(SC(C)C)cc1 | None | |||
| 1443 | 2028 | 34 | None | -11 | 10 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 347 | 5 | 2 | 2 | 3.6 | O=C(c1ccccc1)NC1CCN(CC1)CCc1c[nH]c2c1cccc2 | None | |||
| 33625 | 2028 | 34 | None | -11 | 10 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 347 | 5 | 2 | 2 | 3.6 | O=C(c1ccccc1)NC1CCN(CC1)CCc1c[nH]c2c1cccc2 | None | |||
| 501 | 2028 | 34 | None | -11 | 10 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 347 | 5 | 2 | 2 | 3.6 | O=C(c1ccccc1)NC1CCN(CC1)CCc1c[nH]c2c1cccc2 | None | |||
| CHEMBL279516 | 2028 | 34 | None | -11 | 10 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 347 | 5 | 2 | 2 | 3.6 | O=C(c1ccccc1)NC1CCN(CC1)CCc1c[nH]c2c1cccc2 | None | |||
| DB08950 | 2028 | 34 | None | -11 | 10 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 347 | 5 | 2 | 2 | 3.6 | O=C(c1ccccc1)NC1CCN(CC1)CCc1c[nH]c2c1cccc2 | None | |||
| 191 | 403 | 98 | None | -39 | 29 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 313 | 0 | 1 | 4 | 3.4 | Clc1ccc2c(c1)C(=Nc1c(O2)cccc1)N1CCNCC1 | None | |||
| 201 | 403 | 98 | None | -39 | 29 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 313 | 0 | 1 | 4 | 3.4 | Clc1ccc2c(c1)C(=Nc1c(O2)cccc1)N1CCNCC1 | None | |||
| 2170 | 403 | 98 | None | -39 | 29 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 313 | 0 | 1 | 4 | 3.4 | Clc1ccc2c(c1)C(=Nc1c(O2)cccc1)N1CCNCC1 | None | |||
| CHEMBL1113 | 403 | 98 | None | -39 | 29 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 313 | 0 | 1 | 4 | 3.4 | Clc1ccc2c(c1)C(=Nc1c(O2)cccc1)N1CCNCC1 | None | |||
| DB00543 | 403 | 98 | None | -39 | 29 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 313 | 0 | 1 | 4 | 3.4 | Clc1ccc2c(c1)C(=Nc1c(O2)cccc1)N1CCNCC1 | None | |||
| 60838 | 183874 | 99 | None | -1 | 2 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 586 | 4 | 1 | 9 | 4.1 | CCc1c2c(nc3ccc(OC(=O)N4CCC(N5CCCCC5)CC4)cc13)-c1cc3c(c(=O)n1C2)COC(=O)[C@]3(O)CC | None | |||
| CHEMBL481 | 183874 | 99 | None | -1 | 2 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 586 | 4 | 1 | 9 | 4.1 | CCc1c2c(nc3ccc(OC(=O)N4CCC(N5CCCCC5)CC4)cc13)-c1cc3c(c(=O)n1C2)COC(=O)[C@]3(O)CC | None | |||
| 463 | 1405 | 22 | None | -48 | 12 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 609 | 10 | 1 | 8 | 6.0 | COC(=O)C1=C(C)NC(=C([C@@H]1c1cccc(c1)[N+](=O)[O-])C(=O)OCCCN1CCC(CC1)(c1ccccc1)c1ccccc1)C | None | |||
| 6918097 | 1405 | 22 | None | -48 | 12 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 609 | 10 | 1 | 8 | 6.0 | COC(=O)C1=C(C)NC(=C([C@@H]1c1cccc(c1)[N+](=O)[O-])C(=O)OCCCN1CCC(CC1)(c1ccccc1)c1ccccc1)C | None | |||
| 837 | 1405 | 22 | None | -48 | 12 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 609 | 10 | 1 | 8 | 6.0 | COC(=O)C1=C(C)NC(=C([C@@H]1c1cccc(c1)[N+](=O)[O-])C(=O)OCCCN1CCC(CC1)(c1ccccc1)c1ccccc1)C | None | |||
| CHEMBL2051956 | 1405 | 22 | None | -48 | 12 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 609 | 10 | 1 | 8 | 6.0 | COC(=O)C1=C(C)NC(=C([C@@H]1c1cccc(c1)[N+](=O)[O-])C(=O)OCCCN1CCC(CC1)(c1ccccc1)c1ccccc1)C | None | |||
| DB14068 | 1405 | 22 | None | -48 | 12 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 609 | 10 | 1 | 8 | 6.0 | COC(=O)C1=C(C)NC(=C([C@@H]1c1cccc(c1)[N+](=O)[O-])C(=O)OCCCN1CCC(CC1)(c1ccccc1)c1ccccc1)C | None | |||
| 33630 | 178957 | 99 | None | -9 | 28 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 523 | 7 | 1 | 2 | 7.5 | OC1(c2ccc(Cl)c(C(F)(F)F)c2)CCN(CCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1 | None | |||
| CHEMBL47050 | 178957 | 99 | None | -9 | 28 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 523 | 7 | 1 | 2 | 7.5 | OC1(c2ccc(Cl)c(C(F)(F)F)c2)CCN(CCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1 | None | |||
| 2435 | 3590 | 83 | None | -104 | 48 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 440 | 5 | 1 | 3 | 4.6 | Clc1ccc2c(c1)c(cn2c1ccc(cc1)F)C1CCN(CC1)CCN1CCNC1=O | None | |||
| 60149 | 3590 | 83 | None | -104 | 48 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 440 | 5 | 1 | 3 | 4.6 | Clc1ccc2c(c1)c(cn2c1ccc(cc1)F)C1CCN(CC1)CCN1CCNC1=O | None | |||
| 98 | 3590 | 83 | None | -104 | 48 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 440 | 5 | 1 | 3 | 4.6 | Clc1ccc2c(c1)c(cn2c1ccc(cc1)F)C1CCN(CC1)CCN1CCNC1=O | None | |||
| CHEMBL12713 | 3590 | 83 | None | -104 | 48 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 440 | 5 | 1 | 3 | 4.6 | Clc1ccc2c(c1)c(cn2c1ccc(cc1)F)C1CCN(CC1)CCN1CCNC1=O | None | |||
| DB06144 | 3590 | 83 | None | -104 | 48 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 440 | 5 | 1 | 3 | 4.6 | Clc1ccc2c(c1)c(cn2c1ccc(cc1)F)C1CCN(CC1)CCN1CCNC1=O | None | |||
| 4011 | 82408 | 49 | None | -28 | 24 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 277 | 4 | 1 | 1 | 4.2 | CNCCCC12CCC(c3ccccc31)c1ccccc12 | None | |||
| CHEMBL21731 | 82408 | 49 | None | -28 | 24 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 277 | 4 | 1 | 1 | 4.2 | CNCCCC12CCC(c3ccccc31)c1ccccc12 | None | |||
| 11079 | 2733 | 63 | None | -2 | 5 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 210 | 2 | 1 | 2 | 2.4 | C1CN=C(N1)Cc1cccc2c1cccc2 | None | |||
| 3369 | 2733 | 63 | None | -2 | 5 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 210 | 2 | 1 | 2 | 2.4 | C1CN=C(N1)Cc1cccc2c1cccc2 | None | |||
| 4436 | 2733 | 63 | None | -2 | 5 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 210 | 2 | 1 | 2 | 2.4 | C1CN=C(N1)Cc1cccc2c1cccc2 | None | |||
| 5509 | 2733 | 63 | None | -2 | 5 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 210 | 2 | 1 | 2 | 2.4 | C1CN=C(N1)Cc1cccc2c1cccc2 | None | |||
| CHEMBL761 | 2733 | 63 | None | -2 | 5 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 210 | 2 | 1 | 2 | 2.4 | C1CN=C(N1)Cc1cccc2c1cccc2 | None | |||
| DB06711 | 2733 | 63 | None | -2 | 5 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 210 | 2 | 1 | 2 | 2.4 | C1CN=C(N1)Cc1cccc2c1cccc2 | None | |||
| 214 | 3860 | 58 | None | -60 | 30 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 407 | 4 | 0 | 4 | 4.9 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | None | |||
| 2740 | 3860 | 58 | None | -60 | 30 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 407 | 4 | 0 | 4 | 4.9 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | None | |||
| 5566 | 3860 | 58 | None | -60 | 30 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 407 | 4 | 0 | 4 | 4.9 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | None | |||
| 66064 | 3860 | 58 | None | -60 | 30 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 407 | 4 | 0 | 4 | 4.9 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | None | |||
| CHEMBL422 | 3860 | 58 | None | -60 | 30 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 407 | 4 | 0 | 4 | 4.9 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | None | |||
| DB00831 | 3860 | 58 | None | -60 | 30 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 407 | 4 | 0 | 4 | 4.9 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | None | |||
| 16362 | 3125 | 71 | None | -263 | 30 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 461 | 7 | 1 | 3 | 5.9 | Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC(CC1)n1c(=O)[nH]c2c1cccc2 | None | |||
| 2172 | 3125 | 71 | None | -263 | 30 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 461 | 7 | 1 | 3 | 5.9 | Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC(CC1)n1c(=O)[nH]c2c1cccc2 | None | |||
| 90 | 3125 | 71 | None | -263 | 30 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 461 | 7 | 1 | 3 | 5.9 | Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC(CC1)n1c(=O)[nH]c2c1cccc2 | None | |||
| CHEMBL1423 | 3125 | 71 | None | -263 | 30 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 461 | 7 | 1 | 3 | 5.9 | Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC(CC1)n1c(=O)[nH]c2c1cccc2 | None | |||
| DB01100 | 3125 | 71 | None | -263 | 30 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 461 | 7 | 1 | 3 | 5.9 | Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC(CC1)n1c(=O)[nH]c2c1cccc2 | None | |||
| 1028 | 291 | 71 | None | -67 | 30 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | None | |||
| 139148732 | 291 | 71 | None | -67 | 30 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | None | |||
| 479 | 291 | 71 | None | -67 | 30 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | None | |||
| 5816 | 291 | 71 | None | -67 | 30 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | None | |||
| CHEMBL679 | 291 | 71 | None | -67 | 30 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | None | |||
| DB00668 | 291 | 71 | None | -67 | 30 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | None | |||
| 2286 | 3183 | 51 | None | -15 | 30 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 284 | 3 | 0 | 3 | 4.2 | CN(C(CN1c2ccccc2Sc2c1cccc2)C)C | None | |||
| 4927 | 3183 | 51 | None | -15 | 30 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 284 | 3 | 0 | 3 | 4.2 | CN(C(CN1c2ccccc2Sc2c1cccc2)C)C | None | |||
| 7282 | 3183 | 51 | None | -15 | 30 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 284 | 3 | 0 | 3 | 4.2 | CN(C(CN1c2ccccc2Sc2c1cccc2)C)C | None | |||
| CHEMBL643 | 3183 | 51 | None | -15 | 30 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 284 | 3 | 0 | 3 | 4.2 | CN(C(CN1c2ccccc2Sc2c1cccc2)C)C | None | |||
| DB01069 | 3183 | 51 | None | -15 | 30 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 284 | 3 | 0 | 3 | 4.2 | CN(C(CN1c2ccccc2Sc2c1cccc2)C)C | None | |||
| 2247 | 505 | 81 | None | -25 | 42 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | None | |||
| 249 | 505 | 81 | None | -25 | 42 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | None | |||
| 2603 | 505 | 81 | None | -25 | 42 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | None | |||
| CHEMBL296419 | 505 | 81 | None | -25 | 42 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | None | |||
| DB00637 | 505 | 81 | None | -25 | 42 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | None | |||
| 2335 | 11848 | 22 | None | -2 | 12 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 412 | 11 | 0 | 2 | 6.1 | CC(C)(C)CC(C)(C)c1ccc(OCCOCC[N+](C)(C)Cc2ccccc2)cc1 | None | |||
| 8478 | 11848 | 22 | None | -2 | 12 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 412 | 11 | 0 | 2 | 6.1 | CC(C)(C)CC(C)(C)c1ccc(OCCOCC[N+](C)(C)Cc2ccccc2)cc1 | None | |||
| CHEMBL1182210 | 11848 | 22 | None | -2 | 12 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 412 | 11 | 0 | 2 | 6.1 | CC(C)(C)CC(C)(C)c1ccc(OCCOCC[N+](C)(C)Cc2ccccc2)cc1 | None | |||
| CHEMBL221753 | 11848 | 22 | None | -2 | 12 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 412 | 11 | 0 | 2 | 6.1 | CC(C)(C)CC(C)(C)c1ccc(OCCOCC[N+](C)(C)Cc2ccccc2)cc1 | None | |||
| 2181 | 3128 | 46 | None | -36 | 35 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 375 | 7 | 1 | 4 | 2.6 | O=C(c1ccc(cc1)F)CCCN1CCC(CC1)(N1CCCCC1)C(=O)N | None | |||
| 4830 | 3128 | 46 | None | -36 | 35 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 375 | 7 | 1 | 4 | 2.6 | O=C(c1ccc(cc1)F)CCCN1CCC(CC1)(N1CCCCC1)C(=O)N | None | |||
| 92 | 3128 | 46 | None | -36 | 35 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 375 | 7 | 1 | 4 | 2.6 | O=C(c1ccc(cc1)F)CCCN1CCC(CC1)(N1CCCCC1)C(=O)N | None | |||
| CHEMBL440294 | 3128 | 46 | None | -36 | 35 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 375 | 7 | 1 | 4 | 2.6 | O=C(c1ccc(cc1)F)CCCN1CCC(CC1)(N1CCCCC1)C(=O)N | None | |||
| DB09286 | 3128 | 46 | None | -36 | 35 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 375 | 7 | 1 | 4 | 2.6 | O=C(c1ccc(cc1)F)CCCN1CCC(CC1)(N1CCCCC1)C(=O)N | None | |||
| 3157 | 1470 | 71 | None | -39 | 10 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 451 | 4 | 2 | 8 | 1.5 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1COc2c(O1)cccc2 | None | |||
| 7170 | 1470 | 71 | None | -39 | 10 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 451 | 4 | 2 | 8 | 1.5 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1COc2c(O1)cccc2 | None | |||
| 954 | 1470 | 71 | None | -39 | 10 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 451 | 4 | 2 | 8 | 1.5 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1COc2c(O1)cccc2 | None | |||
| CHEMBL707 | 1470 | 71 | None | -39 | 10 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 451 | 4 | 2 | 8 | 1.5 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1COc2c(O1)cccc2 | None | |||
| DB00590 | 1470 | 71 | None | -39 | 10 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 451 | 4 | 2 | 8 | 1.5 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1COc2c(O1)cccc2 | None | |||
| 11057 | 176149 | 23 | None | -1 | 20 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 372 | 4 | 0 | 2 | 4.5 | CN(C)c1ccc(C(=C2C=CC(=[N+](C)C)C=C2)c2ccc(N(C)C)cc2)cc1 | None | |||
| 3468 | 176149 | 23 | None | -1 | 20 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 372 | 4 | 0 | 2 | 4.5 | CN(C)c1ccc(C(=C2C=CC(=[N+](C)C)C=C2)c2ccc(N(C)C)cc2)cc1 | None | |||
| CHEMBL459265 | 176149 | 23 | None | -1 | 20 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 372 | 4 | 0 | 2 | 4.5 | CN(C)c1ccc(C(=C2C=CC(=[N+](C)C)C=C2)c2ccc(N(C)C)cc2)cc1 | None | |||
| CHEMBL64894 | 176149 | 23 | None | -1 | 20 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 372 | 4 | 0 | 2 | 4.5 | CN(C)c1ccc(C(=C2C=CC(=[N+](C)C)C=C2)c2ccc(N(C)C)cc2)cc1 | None | |||
| 5524 | 216464 | 0 | None | -2 | 4 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 215 | 1 | 2 | 3 | 1.9 | C1CCC2=C(C1)C=CC=C2NC3=NCCN3 | None | |||
| 2162 | 41514 | 100 | None | -1 | 6 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 408 | 8 | 2 | 7 | 2.3 | CCOC(=O)C1=C(COCCN)NC(C)=C(C(=O)OC)C1c1ccccc1Cl | None | |||
| CHEMBL1491 | 41514 | 100 | None | -1 | 6 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 408 | 8 | 2 | 7 | 2.3 | CCOC(=O)C1=C(COCCN)NC(C)=C(C(=O)OC)C1c1ccccc1Cl | None | |||
| 3168 | 9262 | 92 | None | -63 | 21 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 379 | 6 | 1 | 4 | 3.7 | O=C(CCCN1CC=C(n2c(=O)[nH]c3ccccc32)CC1)c1ccc(F)cc1 | None | |||
| CHEMBL1108 | 9262 | 92 | None | -63 | 21 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 379 | 6 | 1 | 4 | 3.7 | O=C(CCCN1CC=C(n2c(=O)[nH]c3ccccc32)CC1)c1ccc(F)cc1 | None | |||
| 1548955 | 88581 | 20 | None | -1 | 18 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 405 | 9 | 0 | 2 | 6.6 | CCN(CC)CCOc1ccc(C(=C(Cl)c2ccccc2)c2ccccc2)cc1 | None | |||
| 2800 | 88581 | 20 | None | -1 | 18 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 405 | 9 | 0 | 2 | 6.6 | CCN(CC)CCOc1ccc(C(=C(Cl)c2ccccc2)c2ccccc2)cc1 | None | |||
| CHEMBL2355051 | 88581 | 20 | None | -1 | 18 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 405 | 9 | 0 | 2 | 6.6 | CCN(CC)CCOc1ccc(C(=C(Cl)c2ccccc2)c2ccccc2)cc1 | None | |||
| 2398 | 954 | 62 | None | -4 | 29 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 314 | 4 | 0 | 2 | 4.5 | CN(CCCN1c2ccccc2CCc2c1cc(Cl)cc2)C | None | |||
| 2801 | 954 | 62 | None | -4 | 29 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 314 | 4 | 0 | 2 | 4.5 | CN(CCCN1c2ccccc2CCc2c1cc(Cl)cc2)C | None | |||
| 701 | 954 | 62 | None | -4 | 29 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 314 | 4 | 0 | 2 | 4.5 | CN(CCCN1c2ccccc2CCc2c1cc(Cl)cc2)C | None | |||
| CHEMBL415 | 954 | 62 | None | -4 | 29 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 314 | 4 | 0 | 2 | 4.5 | CN(CCCN1c2ccccc2CCc2c1cc(Cl)cc2)C | None | |||
| DB01242 | 954 | 62 | None | -4 | 29 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 314 | 4 | 0 | 2 | 4.5 | CN(CCCN1c2ccccc2CCc2c1cc(Cl)cc2)C | None | |||
| 104870 | 98880 | 47 | None | -3 | 21 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 209 | 2 | 1 | 4 | 1.3 | C=CCN1CCc2nc(N)sc2CC1 | None | |||
| 5374 | 98880 | 47 | None | -3 | 21 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 209 | 2 | 1 | 4 | 1.3 | C=CCN1CCc2nc(N)sc2CC1 | None | |||
| CHEMBL279085 | 98880 | 47 | None | -3 | 21 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 209 | 2 | 1 | 4 | 1.3 | C=CCN1CCc2nc(N)sc2CC1 | None | |||
| 66265 | 94013 | 15 | None | -1 | 19 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 231 | 4 | 1 | 1 | 3.2 | CCN[C@@H](C)Cc1cccc(C(F)(F)F)c1 | None | |||
| CHEMBL248702 | 94013 | 15 | None | -1 | 19 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 231 | 4 | 1 | 1 | 3.2 | CCN[C@@H](C)Cc1cccc(C(F)(F)F)c1 | None | |||
| 277 | 1301 | 62 | None | -42 | 50 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 287 | 0 | 0 | 1 | 4.7 | CN1CCC(=C2c3ccccc3C=Cc3c2cccc3)CC1 | None | |||
| 2913 | 1301 | 62 | None | -42 | 50 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 287 | 0 | 0 | 1 | 4.7 | CN1CCC(=C2c3ccccc3C=Cc3c2cccc3)CC1 | None | |||
| 765 | 1301 | 62 | None | -42 | 50 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 287 | 0 | 0 | 1 | 4.7 | CN1CCC(=C2c3ccccc3C=Cc3c2cccc3)CC1 | None | |||
| CHEMBL516 | 1301 | 62 | None | -42 | 50 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 287 | 0 | 0 | 1 | 4.7 | CN1CCC(=C2c3ccccc3C=Cc3c2cccc3)CC1 | None | |||
| DB00434 | 1301 | 62 | None | -42 | 50 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 287 | 0 | 0 | 1 | 4.7 | CN1CCC(=C2c3ccccc3C=Cc3c2cccc3)CC1 | None | |||
| 1830 | 2590 | 44 | None | -6 | 28 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 276 | 3 | 1 | 3 | 2.0 | CCc1c(C)[nH]c2c1C(=O)C(CC2)CN1CCOCC1 | None | |||
| 207 | 2590 | 44 | None | -6 | 28 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 276 | 3 | 1 | 3 | 2.0 | CCc1c(C)[nH]c2c1C(=O)C(CC2)CN1CCOCC1 | None | |||
| 23897 | 2590 | 44 | None | -6 | 28 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 276 | 3 | 1 | 3 | 2.0 | CCc1c(C)[nH]c2c1C(=O)C(CC2)CN1CCOCC1 | None | |||
| CHEMBL460 | 2590 | 44 | None | -6 | 28 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 276 | 3 | 1 | 3 | 2.0 | CCc1c(C)[nH]c2c1C(=O)C(CC2)CN1CCOCC1 | None | |||
| DB01618 | 2590 | 44 | None | -6 | 28 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 276 | 3 | 1 | 3 | 2.0 | CCc1c(C)[nH]c2c1C(=O)C(CC2)CN1CCOCC1 | None | |||
| 5472 | 205818 | 75 | None | -1 | 3 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 263 | 2 | 0 | 2 | 4.0 | Clc1ccccc1CN1CCc2sccc2C1 | None | |||
| CHEMBL1717 | 205818 | 75 | None | -1 | 3 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 263 | 2 | 0 | 2 | 4.0 | Clc1ccccc1CN1CCc2sccc2C1 | None | |||
| CHEMBL833 | 205818 | 75 | None | -1 | 3 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 263 | 2 | 0 | 2 | 4.0 | Clc1ccccc1CN1CCc2sccc2C1 | None | |||
| 3952 | 1888 | 38 | None | -19 | 12 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 230 | 2 | 2 | 2 | 1.6 | NC(=N/N=C\c1c(Cl)cccc1Cl)N | None | |||
| 5353646 | 1888 | 38 | None | -19 | 12 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 230 | 2 | 2 | 2 | 1.6 | NC(=N/N=C\c1c(Cl)cccc1Cl)N | None | |||
| 5443 | 1888 | 38 | None | -19 | 12 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 230 | 2 | 2 | 2 | 1.6 | NC(=N/N=C\c1c(Cl)cccc1Cl)N | None | |||
| 5702063 | 1888 | 38 | None | -19 | 12 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 230 | 2 | 2 | 2 | 1.6 | NC(=N/N=C\c1c(Cl)cccc1Cl)N | None | |||
| CHEMBL1331786 | 1888 | 38 | None | -19 | 12 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 230 | 2 | 2 | 2 | 1.6 | NC(=N/N=C\c1c(Cl)cccc1Cl)N | None | |||
| CHEMBL420 | 1888 | 38 | None | -19 | 12 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 230 | 2 | 2 | 2 | 1.6 | NC(=N/N=C\c1c(Cl)cccc1Cl)N | None | |||
| 213 | 3853 | 55 | None | -6 | 44 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 371 | 5 | 0 | 6 | 2.4 | Clc1cccc(c1)N1CCN(CC1)CCCn1nc2n(c1=O)cccc2 | None | |||
| 2717 | 3853 | 55 | None | -6 | 44 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 371 | 5 | 0 | 6 | 2.4 | Clc1cccc(c1)N1CCN(CC1)CCCn1nc2n(c1=O)cccc2 | None | |||
| 5533 | 3853 | 55 | None | -6 | 44 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 371 | 5 | 0 | 6 | 2.4 | Clc1cccc(c1)N1CCN(CC1)CCCn1nc2n(c1=O)cccc2 | None | |||
| CHEMBL621 | 3853 | 55 | None | -6 | 44 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 371 | 5 | 0 | 6 | 2.4 | Clc1cccc(c1)N1CCN(CC1)CCCn1nc2n(c1=O)cccc2 | None | |||
| DB00656 | 3853 | 55 | None | -6 | 44 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 371 | 5 | 0 | 6 | 2.4 | Clc1cccc(c1)N1CCN(CC1)CCCn1nc2n(c1=O)cccc2 | None | |||
| 3151 | 1462 | 97 | None | -40 | 27 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 425 | 5 | 2 | 5 | 3.4 | Clc1ccc2c(c1)[nH]c(=O)n2C1CCN(CC1)CCCn1c(=O)[nH]c2c1cccc2 | None | |||
| 945 | 1462 | 97 | None | -40 | 27 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 425 | 5 | 2 | 5 | 3.4 | Clc1ccc2c(c1)[nH]c(=O)n2C1CCN(CC1)CCCn1c(=O)[nH]c2c1cccc2 | None | |||
| 965 | 1462 | 97 | None | -40 | 27 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 425 | 5 | 2 | 5 | 3.4 | Clc1ccc2c(c1)[nH]c(=O)n2C1CCN(CC1)CCCn1c(=O)[nH]c2c1cccc2 | None | |||
| CHEMBL219916 | 1462 | 97 | None | -40 | 27 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 425 | 5 | 2 | 5 | 3.4 | Clc1ccc2c(c1)[nH]c(=O)n2C1CCN(CC1)CCCn1c(=O)[nH]c2c1cccc2 | None | |||
| DB01184 | 1462 | 97 | None | -40 | 27 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 425 | 5 | 2 | 5 | 3.4 | Clc1ccc2c(c1)[nH]c(=O)n2C1CCN(CC1)CCCn1c(=O)[nH]c2c1cccc2 | None | |||
| 3584 | 3777 | 64 | None | -50 | 13 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | None | |||
| 5401 | 3777 | 64 | None | -50 | 13 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | None | |||
| 7302 | 3777 | 64 | None | -50 | 13 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | None | |||
| CHEMBL611 | 3777 | 64 | None | -50 | 13 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | None | |||
| DB01162 | 3777 | 64 | None | -50 | 13 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | None | |||
| 3658 | 4107 | 53 | None | -17 | 8 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 244 | 2 | 1 | 2 | 3.1 | Cc1cc(cc(c1CC1=NCCN1)C)C(C)(C)C | None | |||
| 517 | 4107 | 53 | None | -17 | 8 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 244 | 2 | 1 | 2 | 3.1 | Cc1cc(cc(c1CC1=NCCN1)C)C(C)(C)C | None | |||
| 5709 | 4107 | 53 | None | -17 | 8 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 244 | 2 | 1 | 2 | 3.1 | Cc1cc(cc(c1CC1=NCCN1)C)C(C)(C)C | None | |||
| CHEMBL312448 | 4107 | 53 | None | -17 | 8 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 244 | 2 | 1 | 2 | 3.1 | Cc1cc(cc(c1CC1=NCCN1)C)C(C)(C)C | None | |||
| DB06694 | 4107 | 53 | None | -17 | 8 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 244 | 2 | 1 | 2 | 3.1 | Cc1cc(cc(c1CC1=NCCN1)C)C(C)(C)C | None | |||
| 240 | 944 | 43 | None | -5 | 24 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 465 | 9 | 2 | 6 | 3.4 | COC1CN(CCCOc2ccc(cc2)F)CCC1NC(=O)c1cc(Cl)c(cc1OC)N | None | |||
| 2769 | 944 | 43 | None | -5 | 24 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 465 | 9 | 2 | 6 | 3.4 | COC1CN(CCCOc2ccc(cc2)F)CCC1NC(=O)c1cc(Cl)c(cc1OC)N | None | |||
| 44279790 | 944 | 43 | None | -5 | 24 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 465 | 9 | 2 | 6 | 3.4 | COC1CN(CCCOc2ccc(cc2)F)CCC1NC(=O)c1cc(Cl)c(cc1OC)N | None | |||
| 660 | 944 | 43 | None | -5 | 24 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 465 | 9 | 2 | 6 | 3.4 | COC1CN(CCCOc2ccc(cc2)F)CCC1NC(=O)c1cc(Cl)c(cc1OC)N | None | |||
| CHEMBL1729 | 944 | 43 | None | -5 | 24 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 465 | 9 | 2 | 6 | 3.4 | COC1CN(CCCOc2ccc(cc2)F)CCC1NC(=O)c1cc(Cl)c(cc1OC)N | None | |||
| CHEMBL560739 | 944 | 43 | None | -5 | 24 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 465 | 9 | 2 | 6 | 3.4 | COC1CN(CCCOc2ccc(cc2)F)CCC1NC(=O)c1cc(Cl)c(cc1OC)N | None | |||
| DB00604 | 944 | 43 | None | -5 | 24 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 465 | 9 | 2 | 6 | 3.4 | COC1CN(CCCOc2ccc(cc2)F)CCC1NC(=O)c1cc(Cl)c(cc1OC)N | None | |||
| 2351 | 3286 | 64 | None | -4 | 21 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 473 | 7 | 2 | 6 | 6.1 | Oc1ccc2c(c1)sc(c2C(=O)c1ccc(cc1)OCCN1CCCCC1)c1ccc(cc1)O | None | |||
| 2820 | 3286 | 64 | None | -4 | 21 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 473 | 7 | 2 | 6 | 6.1 | Oc1ccc2c(c1)sc(c2C(=O)c1ccc(cc1)OCCN1CCCCC1)c1ccc(cc1)O | None | |||
| 5035 | 3286 | 64 | None | -4 | 21 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 473 | 7 | 2 | 6 | 6.1 | Oc1ccc2c(c1)sc(c2C(=O)c1ccc(cc1)OCCN1CCCCC1)c1ccc(cc1)O | None | |||
| CHEMBL81 | 3286 | 64 | None | -4 | 21 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 473 | 7 | 2 | 6 | 6.1 | Oc1ccc2c(c1)sc(c2C(=O)c1ccc(cc1)OCCN1CCCCC1)c1ccc(cc1)O | None | |||
| DB00481 | 3286 | 64 | None | -4 | 21 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 473 | 7 | 2 | 6 | 6.1 | Oc1ccc2c(c1)sc(c2C(=O)c1ccc(cc1)OCCN1CCCCC1)c1ccc(cc1)O | None | |||
| 1576 | 216326 | 0 | 3H-CLONIDINE | 1 | 40 | Human | 6.2 | pKi | = | 6.2 | Binding | PDSP KiDatabase | 163 | 3 | 1 | 2 | 1.5 | CC(C(=O)C1=CC=CC=C1)NC | None | |||
| 1222 | 1664 | 49 | 3H-RAUWOLSCINE | -34 | 33 | Human | 7.2 | pKi | = | 7.2 | Binding | PDSP KiDatabase | 475 | 7 | 1 | 3 | 5.3 | Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | None | |||
| 3396 | 1664 | 49 | 3H-RAUWOLSCINE | -34 | 33 | Human | 7.2 | pKi | = | 7.2 | Binding | PDSP KiDatabase | 475 | 7 | 1 | 3 | 5.3 | Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | None | |||
| 85 | 1664 | 49 | 3H-RAUWOLSCINE | -34 | 33 | Human | 7.2 | pKi | = | 7.2 | Binding | PDSP KiDatabase | 475 | 7 | 1 | 3 | 5.3 | Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | None | |||
| CHEMBL46516 | 1664 | 49 | 3H-RAUWOLSCINE | -34 | 33 | Human | 7.2 | pKi | = | 7.2 | Binding | PDSP KiDatabase | 475 | 7 | 1 | 3 | 5.3 | Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | None | |||
| DB04842 | 1664 | 49 | 3H-RAUWOLSCINE | -34 | 33 | Human | 7.2 | pKi | = | 7.2 | Binding | PDSP KiDatabase | 475 | 7 | 1 | 3 | 5.3 | Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | None | |||
| 103 | 4153 | 61 | 3H-CLONIDINE | -33 | 53 | Human | 7.2 | pKi | = | 7.2 | Binding | PDSP KiDatabase | 331 | 4 | 0 | 3 | 4.9 | CN(CCOC1=Cc2ccccc2Sc2c1cc(Cl)cc2)C | None | |||
| 2875 | 4153 | 61 | 3H-CLONIDINE | -33 | 53 | Human | 7.2 | pKi | = | 7.2 | Binding | PDSP KiDatabase | 331 | 4 | 0 | 3 | 4.9 | CN(CCOC1=Cc2ccccc2Sc2c1cc(Cl)cc2)C | None | |||
| 5736 | 4153 | 61 | 3H-CLONIDINE | -33 | 53 | Human | 7.2 | pKi | = | 7.2 | Binding | PDSP KiDatabase | 331 | 4 | 0 | 3 | 4.9 | CN(CCOC1=Cc2ccccc2Sc2c1cc(Cl)cc2)C | None | |||
| CHEMBL285802 | 4153 | 61 | 3H-CLONIDINE | -33 | 53 | Human | 7.2 | pKi | = | 7.2 | Binding | PDSP KiDatabase | 331 | 4 | 0 | 3 | 4.9 | CN(CCOC1=Cc2ccccc2Sc2c1cc(Cl)cc2)C | None | |||
| DB09225 | 4153 | 61 | 3H-CLONIDINE | -33 | 53 | Human | 7.2 | pKi | = | 7.2 | Binding | PDSP KiDatabase | 331 | 4 | 0 | 3 | 4.9 | CN(CCOC1=Cc2ccccc2Sc2c1cc(Cl)cc2)C | None | |||
| 2803 | 955 | 58 | 3H-RX821002 | -4 | 19 | Human | 7.2 | pKi | = | 7.2 | Binding | PDSP KiDatabase | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | None | |||
| 516 | 955 | 58 | 3H-RX821002 | -4 | 19 | Human | 7.2 | pKi | = | 7.2 | Binding | PDSP KiDatabase | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | None | |||
| 704 | 955 | 58 | 3H-RX821002 | -4 | 19 | Human | 7.2 | pKi | = | 7.2 | Binding | PDSP KiDatabase | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | None | |||
| CHEMBL134 | 955 | 58 | 3H-RX821002 | -4 | 19 | Human | 7.2 | pKi | = | 7.2 | Binding | PDSP KiDatabase | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | None | |||
| DB00575 | 955 | 58 | 3H-RX821002 | -4 | 19 | Human | 7.2 | pKi | = | 7.2 | Binding | PDSP KiDatabase | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | None | |||
| 15897 | 2862 | 0 | 3H-CLONIDINE | -29 | 36 | Human | 6.2 | pKi | = | 6.2 | Binding | PDSP KiDatabase | 203 | 2 | 1 | 1 | 2.6 | CC(Cc1cccc(c1)C(F)(F)F)N | None | |||
| 215 | 2862 | 0 | 3H-CLONIDINE | -29 | 36 | Human | 6.2 | pKi | = | 6.2 | Binding | PDSP KiDatabase | 203 | 2 | 1 | 1 | 2.6 | CC(Cc1cccc(c1)C(F)(F)F)N | None | |||
| CHEMBL1979333 | 2862 | 0 | 3H-CLONIDINE | -29 | 36 | Human | 6.2 | pKi | = | 6.2 | Binding | PDSP KiDatabase | 203 | 2 | 1 | 1 | 2.6 | CC(Cc1cccc(c1)C(F)(F)F)N | None | |||
| 2105 | 3054 | 37 | 3H-RX821002 | -81 | 33 | Human | 7.2 | pKi | = | 7.2 | Binding | PDSP KiDatabase | 314 | 4 | 1 | 2 | 4.3 | CCCN1C[C@H](CSC)C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3 | None | |||
| 47811 | 3054 | 37 | 3H-RX821002 | -81 | 33 | Human | 7.2 | pKi | = | 7.2 | Binding | PDSP KiDatabase | 314 | 4 | 1 | 2 | 4.3 | CCCN1C[C@H](CSC)C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3 | None | |||
| 48 | 3054 | 37 | 3H-RX821002 | -81 | 33 | Human | 7.2 | pKi | = | 7.2 | Binding | PDSP KiDatabase | 314 | 4 | 1 | 2 | 4.3 | CCCN1C[C@H](CSC)C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3 | None | |||
| CHEMBL531 | 3054 | 37 | 3H-RX821002 | -81 | 33 | Human | 7.2 | pKi | = | 7.2 | Binding | PDSP KiDatabase | 314 | 4 | 1 | 2 | 4.3 | CCCN1C[C@H](CSC)C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3 | None | |||
| DB01186 | 3054 | 37 | 3H-RX821002 | -81 | 33 | Human | 7.2 | pKi | = | 7.2 | Binding | PDSP KiDatabase | 314 | 4 | 1 | 2 | 4.3 | CCCN1C[C@H](CSC)C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3 | None | |||
| 2202 | 3132 | 96 | 3H-RX821002 | 1 | 21 | Human | 7.2 | pKi | = | 7.2 | Binding | PDSP KiDatabase | 298 | 3 | 0 | 6 | 1.5 | c1cnc(nc1)N1CCN(CC1)Cc1ccc2c(c1)OCO2 | None | |||
| 4850 | 3132 | 96 | 3H-RX821002 | 1 | 21 | Human | 7.2 | pKi | = | 7.2 | Binding | PDSP KiDatabase | 298 | 3 | 0 | 6 | 1.5 | c1cnc(nc1)N1CCN(CC1)Cc1ccc2c(c1)OCO2 | None | |||
| 49 | 3132 | 96 | 3H-RX821002 | 1 | 21 | Human | 7.2 | pKi | = | 7.2 | Binding | PDSP KiDatabase | 298 | 3 | 0 | 6 | 1.5 | c1cnc(nc1)N1CCN(CC1)Cc1ccc2c(c1)OCO2 | None | |||
| CHEMBL1371770 | 3132 | 96 | 3H-RX821002 | 1 | 21 | Human | 7.2 | pKi | = | 7.2 | Binding | PDSP KiDatabase | 298 | 3 | 0 | 6 | 1.5 | c1cnc(nc1)N1CCN(CC1)Cc1ccc2c(c1)OCO2 | None | |||
| DB12478 | 3132 | 96 | 3H-RX821002 | 1 | 21 | Human | 7.2 | pKi | = | 7.2 | Binding | PDSP KiDatabase | 298 | 3 | 0 | 6 | 1.5 | c1cnc(nc1)N1CCN(CC1)Cc1ccc2c(c1)OCO2 | None | |||
| 11141 | 345 | 50 | None | 1 | 2 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 315 | 6 | 2 | 5 | 1.3 | C=CCN1CCCC1CNC(=O)c1cc2[nH]nnc2cc1OC | None | |||
| 120 | 345 | 50 | None | 1 | 2 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 315 | 6 | 2 | 5 | 1.3 | C=CCN1CCCC1CNC(=O)c1cc2[nH]nnc2cc1OC | None | |||
| 135413504 | 345 | 50 | None | 1 | 2 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 315 | 6 | 2 | 5 | 1.3 | C=CCN1CCCC1CNC(=O)c1cc2[nH]nnc2cc1OC | None | |||
| 43008 | 345 | 50 | None | 1 | 2 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 315 | 6 | 2 | 5 | 1.3 | C=CCN1CCCC1CNC(=O)c1cc2[nH]nnc2cc1OC | None | |||
| CHEMBL290194 | 345 | 50 | None | 1 | 2 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 315 | 6 | 2 | 5 | 1.3 | C=CCN1CCCC1CNC(=O)c1cc2[nH]nnc2cc1OC | None | |||
| DB01425 | 345 | 50 | None | 1 | 2 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 315 | 6 | 2 | 5 | 1.3 | C=CCN1CCCC1CNC(=O)c1cc2[nH]nnc2cc1OC | None | |||
| 1547484 | 940 | 74 | None | -4 | 20 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 368 | 6 | 0 | 2 | 5.1 | c1ccc(cc1)/C=C/CN1CCN(CC1)C(c1ccccc1)c1ccccc1 | None | |||
| 654 | 940 | 74 | None | -4 | 20 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 368 | 6 | 0 | 2 | 5.1 | c1ccc(cc1)/C=C/CN1CCN(CC1)C(c1ccccc1)c1ccccc1 | None | |||
| 9072 | 940 | 74 | None | -4 | 20 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 368 | 6 | 0 | 2 | 5.1 | c1ccc(cc1)/C=C/CN1CCN(CC1)C(c1ccccc1)c1ccccc1 | None | |||
| CHEMBL43064 | 940 | 74 | None | -4 | 20 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 368 | 6 | 0 | 2 | 5.1 | c1ccc(cc1)/C=C/CN1CCN(CC1)C(c1ccccc1)c1ccccc1 | None | |||
| DB00568 | 940 | 74 | None | -4 | 20 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 368 | 6 | 0 | 2 | 5.1 | c1ccc(cc1)/C=C/CN1CCN(CC1)C(c1ccccc1)c1ccccc1 | None | |||
| 103 | 4153 | 61 | None | -33 | 53 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 331 | 4 | 0 | 3 | 4.9 | CN(CCOC1=Cc2ccccc2Sc2c1cc(Cl)cc2)C | None | |||
| 2875 | 4153 | 61 | None | -33 | 53 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 331 | 4 | 0 | 3 | 4.9 | CN(CCOC1=Cc2ccccc2Sc2c1cc(Cl)cc2)C | None | |||
| 5736 | 4153 | 61 | None | -33 | 53 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 331 | 4 | 0 | 3 | 4.9 | CN(CCOC1=Cc2ccccc2Sc2c1cc(Cl)cc2)C | None | |||
| CHEMBL285802 | 4153 | 61 | None | -33 | 53 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 331 | 4 | 0 | 3 | 4.9 | CN(CCOC1=Cc2ccccc2Sc2c1cc(Cl)cc2)C | None | |||
| DB09225 | 4153 | 61 | None | -33 | 53 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 331 | 4 | 0 | 3 | 4.9 | CN(CCOC1=Cc2ccccc2Sc2c1cc(Cl)cc2)C | None | |||
| 209 | 3057 | 97 | None | -34 | 23 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 403 | 6 | 1 | 5 | 3.9 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(Cl)cc2 | None | |||
| 2113 | 3057 | 97 | None | -34 | 23 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 403 | 6 | 1 | 5 | 3.9 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(Cl)cc2 | None | |||
| 4748 | 3057 | 97 | None | -34 | 23 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 403 | 6 | 1 | 5 | 3.9 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(Cl)cc2 | None | |||
| CHEMBL567 | 3057 | 97 | None | -34 | 23 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 403 | 6 | 1 | 5 | 3.9 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(Cl)cc2 | None | |||
| DB00850 | 3057 | 97 | None | -34 | 23 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 403 | 6 | 1 | 5 | 3.9 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(Cl)cc2 | None | |||
| 2726 | 919 | 68 | None | -31 | 72 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | None | |||
| 621 | 919 | 68 | None | -31 | 72 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | None | |||
| 83 | 919 | 68 | None | -31 | 72 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | None | |||
| CHEMBL71 | 919 | 68 | None | -31 | 72 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | None | |||
| DB00477 | 919 | 68 | None | -31 | 72 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | None | |||
| 1613 | 2348 | 53 | None | -6 | 44 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 327 | 0 | 0 | 4 | 3.8 | CN1CCN(CC1)C1=Nc2ccccc2Oc2c1cc(Cl)cc2 | None | |||
| 205 | 2348 | 53 | None | -6 | 44 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 327 | 0 | 0 | 4 | 3.8 | CN1CCN(CC1)C1=Nc2ccccc2Oc2c1cc(Cl)cc2 | None | |||
| 3964 | 2348 | 53 | None | -6 | 44 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 327 | 0 | 0 | 4 | 3.8 | CN1CCN(CC1)C1=Nc2ccccc2Oc2c1cc(Cl)cc2 | None | |||
| CHEMBL831 | 2348 | 53 | None | -6 | 44 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 327 | 0 | 0 | 4 | 3.8 | CN1CCN(CC1)C1=Nc2ccccc2Oc2c1cc(Cl)cc2 | None | |||
| DB00408 | 2348 | 53 | None | -6 | 44 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 327 | 0 | 0 | 4 | 3.8 | CN1CCN(CC1)C1=Nc2ccccc2Oc2c1cc(Cl)cc2 | None | |||
| 2865 | 4143 | 73 | None | -64 | 53 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 412 | 4 | 1 | 5 | 3.8 | O=C1Nc2c(C1)cc(c(c2)Cl)CCN1CCN(CC1)c1nsc2c1cccc2 | None | |||
| 59 | 4143 | 73 | None | -64 | 53 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 412 | 4 | 1 | 5 | 3.8 | O=C1Nc2c(C1)cc(c(c2)Cl)CCN1CCN(CC1)c1nsc2c1cccc2 | None | |||
| 60854 | 4143 | 73 | None | -64 | 53 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 412 | 4 | 1 | 5 | 3.8 | O=C1Nc2c(C1)cc(c(c2)Cl)CCN1CCN(CC1)c1nsc2c1cccc2 | None | |||
| CHEMBL708 | 4143 | 73 | None | -64 | 53 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 412 | 4 | 1 | 5 | 3.8 | O=C1Nc2c(C1)cc(c(c2)Cl)CCN1CCN(CC1)c1nsc2c1cccc2 | None | |||
| DB00246 | 4143 | 73 | None | -64 | 53 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 412 | 4 | 1 | 5 | 3.8 | O=C1Nc2c(C1)cc(c(c2)Cl)CCN1CCN(CC1)c1nsc2c1cccc2 | None | |||
| 100 | 3805 | 58 | None | -27 | 55 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | None | |||
| 2637 | 3805 | 58 | None | -27 | 55 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | None | |||
| 5452 | 3805 | 58 | None | -27 | 55 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | None | |||
| CHEMBL479 | 3805 | 58 | None | -27 | 55 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | None | |||
| DB00679 | 3805 | 58 | None | -27 | 55 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | None | |||
| 1593 | 2340 | 66 | None | -6 | 4 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 258 | 3 | 1 | 3 | 2.8 | CC(C1=NCCN1)Oc1c(Cl)cccc1Cl | None | |||
| 30668 | 2340 | 66 | None | -6 | 4 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 258 | 3 | 1 | 3 | 2.8 | CC(C1=NCCN1)Oc1c(Cl)cccc1Cl | None | |||
| 9868 | 2340 | 66 | None | -6 | 4 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 258 | 3 | 1 | 3 | 2.8 | CC(C1=NCCN1)Oc1c(Cl)cccc1Cl | None | |||
| CHEMBL17860 | 2340 | 66 | None | -6 | 4 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 258 | 3 | 1 | 3 | 2.8 | CC(C1=NCCN1)Oc1c(Cl)cccc1Cl | None | |||
| DB04948 | 2340 | 66 | None | -6 | 4 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 258 | 3 | 1 | 3 | 2.8 | CC(C1=NCCN1)Oc1c(Cl)cccc1Cl | None | |||
| 1960 | 2857 | 67 | None | -20 | 26 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | None | |||
| 439260 | 2857 | 67 | None | -20 | 26 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | None | |||
| 505 | 2857 | 67 | None | -20 | 26 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | None | |||
| CHEMBL1437 | 2857 | 67 | None | -20 | 26 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | None | |||
| DB00368 | 2857 | 67 | None | -20 | 26 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | None | |||
| 2105 | 3054 | 37 | None | -81 | 33 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 314 | 4 | 1 | 2 | 4.3 | CCCN1C[C@H](CSC)C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3 | None | |||
| 47811 | 3054 | 37 | None | -81 | 33 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 314 | 4 | 1 | 2 | 4.3 | CCCN1C[C@H](CSC)C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3 | None | |||
| 48 | 3054 | 37 | None | -81 | 33 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 314 | 4 | 1 | 2 | 4.3 | CCCN1C[C@H](CSC)C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3 | None | |||
| CHEMBL531 | 3054 | 37 | None | -81 | 33 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 314 | 4 | 1 | 2 | 4.3 | CCCN1C[C@H](CSC)C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3 | None | |||
| DB01186 | 3054 | 37 | None | -81 | 33 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 314 | 4 | 1 | 2 | 4.3 | CCCN1C[C@H](CSC)C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3 | None | |||
| 2202 | 3132 | 96 | None | 1 | 21 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 298 | 3 | 0 | 6 | 1.5 | c1cnc(nc1)N1CCN(CC1)Cc1ccc2c(c1)OCO2 | None | |||
| 4850 | 3132 | 96 | None | 1 | 21 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 298 | 3 | 0 | 6 | 1.5 | c1cnc(nc1)N1CCN(CC1)Cc1ccc2c(c1)OCO2 | None | |||
| 49 | 3132 | 96 | None | 1 | 21 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 298 | 3 | 0 | 6 | 1.5 | c1cnc(nc1)N1CCN(CC1)Cc1ccc2c(c1)OCO2 | None | |||
| CHEMBL1371770 | 3132 | 96 | None | 1 | 21 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 298 | 3 | 0 | 6 | 1.5 | c1cnc(nc1)N1CCN(CC1)Cc1ccc2c(c1)OCO2 | None | |||
| DB12478 | 3132 | 96 | None | 1 | 21 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 298 | 3 | 0 | 6 | 1.5 | c1cnc(nc1)N1CCN(CC1)Cc1ccc2c(c1)OCO2 | None | |||
| 441383 | 20333 | 57 | None | 2 | 16 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 531 | 8 | 0 | 8 | 4.5 | CC(C)N1CCN(c2ccc(OC[C@H]3CO[C@](Cn4cncn4)(c4ccc(Cl)cc4Cl)O3)cc2)CC1 | None | |||
| CHEMBL1306 | 20333 | 57 | None | 2 | 16 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 531 | 8 | 0 | 8 | 4.5 | CC(C)N1CCN(c2ccc(OC[C@H]3CO[C@](Cn4cncn4)(c4ccc(Cl)cc4Cl)O3)cc2)CC1 | None | |||
| 1222 | 1664 | 49 | None | -34 | 33 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 475 | 7 | 1 | 3 | 5.3 | Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | None | |||
| 3396 | 1664 | 49 | None | -34 | 33 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 475 | 7 | 1 | 3 | 5.3 | Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | None | |||
| 85 | 1664 | 49 | None | -34 | 33 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 475 | 7 | 1 | 3 | 5.3 | Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | None | |||
| CHEMBL46516 | 1664 | 49 | None | -34 | 33 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 475 | 7 | 1 | 3 | 5.3 | Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | None | |||
| DB04842 | 1664 | 49 | None | -34 | 33 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 475 | 7 | 1 | 3 | 5.3 | Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | None | |||
| 1201549 | 597 | 24 | None | -18 | 20 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 307 | 4 | 0 | 2 | 4.4 | CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(c1ccccc1)c1ccccc1 | None | |||
| 333 | 597 | 24 | None | -18 | 20 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 307 | 4 | 0 | 2 | 4.4 | CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(c1ccccc1)c1ccccc1 | None | |||
| 7601 | 597 | 24 | None | -18 | 20 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 307 | 4 | 0 | 2 | 4.4 | CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(c1ccccc1)c1ccccc1 | None | |||
| CHEMBL1201203 | 597 | 24 | None | -18 | 20 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 307 | 4 | 0 | 2 | 4.4 | CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(c1ccccc1)c1ccccc1 | None | |||
| CHEMBL438151 | 597 | 24 | None | -18 | 20 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 307 | 4 | 0 | 2 | 4.4 | CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(c1ccccc1)c1ccccc1 | None | |||
| DB00245 | 597 | 24 | None | -18 | 20 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 307 | 4 | 0 | 2 | 4.4 | CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(c1ccccc1)c1ccccc1 | None | |||
| 212 | 3806 | 47 | None | -6 | 25 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 443 | 5 | 0 | 5 | 3.5 | CN1CCN(CC1)CC/C=C\1/c2ccccc2Sc2c1cc(cc2)S(=O)(=O)N(C)C | None | |||
| 2639 | 3806 | 47 | None | -6 | 25 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 443 | 5 | 0 | 5 | 3.5 | CN1CCN(CC1)CC/C=C\1/c2ccccc2Sc2c1cc(cc2)S(=O)(=O)N(C)C | None | |||
| 941651 | 3806 | 47 | None | -6 | 25 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 443 | 5 | 0 | 5 | 3.5 | CN1CCN(CC1)CC/C=C\1/c2ccccc2Sc2c1cc(cc2)S(=O)(=O)N(C)C | None | |||
| CHEMBL1201 | 3806 | 47 | None | -6 | 25 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 443 | 5 | 0 | 5 | 3.5 | CN1CCN(CC1)CC/C=C\1/c2ccccc2Sc2c1cc(cc2)S(=O)(=O)N(C)C | None | |||
| DB01623 | 3806 | 47 | None | -6 | 25 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 443 | 5 | 0 | 5 | 3.5 | CN1CCN(CC1)CC/C=C\1/c2ccccc2Sc2c1cc(cc2)S(=O)(=O)N(C)C | None | |||
| 3191 | 102858 | 97 | None | -3 | 25 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 469 | 9 | 0 | 3 | 7.2 | CC(C)(C)c1ccc(C(=O)CCCN2CCC(OC(c3ccccc3)c3ccccc3)CC2)cc1 | None | |||
| CHEMBL305660 | 102858 | 97 | None | -3 | 25 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 469 | 9 | 0 | 3 | 7.2 | CC(C)(C)c1ccc(C(=O)CCCN2CCC(OC(c3ccccc3)c3ccccc3)CC2)cc1 | None | |||
| 228 | 445 | 28 | None | -3 | 24 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 267 | 0 | 2 | 3 | 2.9 | CN1CCc2c3[C@H]1Cc1ccc(c(c1c3ccc2)O)O | None | |||
| 33 | 445 | 28 | None | -3 | 24 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 267 | 0 | 2 | 3 | 2.9 | CN1CCc2c3[C@H]1Cc1ccc(c(c1c3ccc2)O)O | None | |||
| 6005 | 445 | 28 | None | -3 | 24 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 267 | 0 | 2 | 3 | 2.9 | CN1CCc2c3[C@H]1Cc1ccc(c(c1c3ccc2)O)O | None | |||
| CHEMBL53 | 445 | 28 | None | -3 | 24 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 267 | 0 | 2 | 3 | 2.9 | CN1CCc2c3[C@H]1Cc1ccc(c(c1c3ccc2)O)O | None | |||
| DB00714 | 445 | 28 | None | -3 | 24 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 267 | 0 | 2 | 3 | 2.9 | CN1CCc2c3[C@H]1Cc1ccc(c(c1c3ccc2)O)O | None | |||
| 242 | 470 | 124 | None | -23 | 51 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | None | |||
| 34 | 470 | 124 | None | -23 | 51 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | None | |||
| 60795 | 470 | 124 | None | -23 | 51 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | None | |||
| CHEMBL1112 | 470 | 124 | None | -23 | 51 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | None | |||
| DB01238 | 470 | 124 | None | -23 | 51 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | None | |||
| 2284 | 3182 | 33 | None | -7 | 29 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 284 | 4 | 0 | 3 | 4.2 | CN(CCCN1c2ccccc2Sc2c1cccc2)C | None | |||
| 4926 | 3182 | 33 | None | -7 | 29 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 284 | 4 | 0 | 3 | 4.2 | CN(CCCN1c2ccccc2Sc2c1cccc2)C | None | |||
| 7281 | 3182 | 33 | None | -7 | 29 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 284 | 4 | 0 | 3 | 4.2 | CN(CCCN1c2ccccc2Sc2c1cccc2)C | None | |||
| CHEMBL564 | 3182 | 33 | None | -7 | 29 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 284 | 4 | 0 | 3 | 4.2 | CN(CCCN1c2ccccc2Sc2c1cccc2)C | None | |||
| DB00420 | 3182 | 33 | None | -7 | 29 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 284 | 4 | 0 | 3 | 4.2 | CN(CCCN1c2ccccc2Sc2c1cccc2)C | None | |||
| 12488 | 1657 | 56 | None | -2 | 23 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 404 | 6 | 0 | 2 | 5.4 | C1CN(CCN1C/C=C/C2=CC=CC=C2)C(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F | None | |||
| 941361 | 1657 | 56 | None | -2 | 23 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 404 | 6 | 0 | 2 | 5.4 | C1CN(CCN1C/C=C/C2=CC=CC=C2)C(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F | None | |||
| CHEMBL30008 | 1657 | 56 | None | -2 | 23 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 404 | 6 | 0 | 2 | 5.4 | C1CN(CCN1C/C=C/C2=CC=CC=C2)C(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F | None | |||
| DB04841 | 1657 | 56 | None | -2 | 23 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 404 | 6 | 0 | 2 | 5.4 | C1CN(CCN1C/C=C/C2=CC=CC=C2)C(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F | None | |||
| 2216 | 446 | 50 | None | -3 | 6 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 244 | 1 | 3 | 4 | 1.9 | Nc1cc(Cl)c(c(c1)Cl)NC1=NCCN1 | None | |||
| 229 | 446 | 50 | None | -3 | 6 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 244 | 1 | 3 | 4 | 1.9 | Nc1cc(Cl)c(c(c1)Cl)NC1=NCCN1 | None | |||
| 7117 | 446 | 50 | None | -3 | 6 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 244 | 1 | 3 | 4 | 1.9 | Nc1cc(Cl)c(c(c1)Cl)NC1=NCCN1 | None | |||
| CHEMBL647 | 446 | 50 | None | -3 | 6 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 244 | 1 | 3 | 4 | 1.9 | Nc1cc(Cl)c(c(c1)Cl)NC1=NCCN1 | None | |||
| DB00964 | 446 | 50 | None | -3 | 6 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 244 | 1 | 3 | 4 | 1.9 | Nc1cc(Cl)c(c(c1)Cl)NC1=NCCN1 | None | |||
| 1971 | 2866 | 38 | None | -3 | 30 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 263 | 3 | 1 | 1 | 3.8 | CNCCC=C1c2ccccc2CCc2c1cccc2 | None | |||
| 2404 | 2866 | 38 | None | -3 | 30 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 263 | 3 | 1 | 1 | 3.8 | CNCCC=C1c2ccccc2CCc2c1cccc2 | None | |||
| 4543 | 2866 | 38 | None | -3 | 30 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 263 | 3 | 1 | 1 | 3.8 | CNCCC=C1c2ccccc2CCc2c1cccc2 | None | |||
| CHEMBL445 | 2866 | 38 | None | -3 | 30 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 263 | 3 | 1 | 1 | 3.8 | CNCCC=C1c2ccccc2CCc2c1cccc2 | None | |||
| DB00540 | 2866 | 38 | None | -3 | 30 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 263 | 3 | 1 | 1 | 3.8 | CNCCC=C1c2ccccc2CCc2c1cccc2 | None | |||
| 1212 | 1662 | 50 | None | -54 | 65 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | None | |||
| 204 | 1662 | 50 | None | -54 | 65 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | None | |||
| 3372 | 1662 | 50 | None | -54 | 65 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | None | |||
| CHEMBL726 | 1662 | 50 | None | -54 | 65 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | None | |||
| DB00623 | 1662 | 50 | None | -54 | 65 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | None | |||
| 135398745 | 2914 | 112 | None | -30 | 65 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | None | |||
| 47 | 2914 | 112 | None | -30 | 65 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | None | |||
| CHEMBL715 | 2914 | 112 | None | -30 | 65 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | None | |||
| DB00334 | 2914 | 112 | None | -30 | 65 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | None | |||
| 3389 | 217711 | 0 | None | -1 | 26 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 549 | 12 | 0 | 6 | 6.8 | CCCCCCC(=O)OCCN1CCN(CCCN2C3=CC=CC=C3SC3=C2C=C(C=C3)C(F)(F)F)CC1 | None | |||
| 133 | 2496 | 52 | None | -26 | 42 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 403 | 4 | 1 | 4 | 4.1 | O=C(OCc1ccccc1)NC[C@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)cn3C | None | |||
| 1723 | 2496 | 52 | None | -26 | 42 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 403 | 4 | 1 | 4 | 4.1 | O=C(OCc1ccccc1)NC[C@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)cn3C | None | |||
| 28693 | 2496 | 52 | None | -26 | 42 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 403 | 4 | 1 | 4 | 4.1 | O=C(OCc1ccccc1)NC[C@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)cn3C | None | |||
| CHEMBL19215 | 2496 | 52 | None | -26 | 42 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 403 | 4 | 1 | 4 | 4.1 | O=C(OCc1ccccc1)NC[C@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)cn3C | None | |||
| DB13520 | 2496 | 52 | None | -26 | 42 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 403 | 4 | 1 | 4 | 4.1 | O=C(OCc1ccccc1)NC[C@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)cn3C | None | |||
| 10219 | 188796 | 37 | None | -2 | 5 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 480 | 7 | 1 | 6 | 4.9 | CC[C@H]1CN2CCc3cc(OC)c(OC)cc3[C@@H]2C[C@@H]1C[C@H]1NCCc2cc(OC)c(OC)cc21 | None | |||
| CHEMBL493439 | 188796 | 37 | None | -2 | 5 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 480 | 7 | 1 | 6 | 4.9 | CC[C@H]1CN2CCc3cc(OC)c(OC)cc3[C@@H]2C[C@@H]1C[C@H]1NCCc2cc(OC)c(OC)cc21 | None | |||
| CHEMBL50588 | 188796 | 37 | None | -2 | 5 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 480 | 7 | 1 | 6 | 4.9 | CC[C@H]1CN2CCc3cc(OC)c(OC)cc3[C@@H]2C[C@@H]1C[C@H]1NCCc2cc(OC)c(OC)cc21 | None | |||
| 31101 | 729 | 40 | None | -36 | 36 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 653 | 5 | 3 | 6 | 3.2 | CC(C[C@H]1C(=O)N2CCC[C@H]2[C@]2(N1C(=O)[C@@](O2)(NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c([nH]3)Br)C(C)C)O)C | None | |||
| 35 | 729 | 40 | None | -36 | 36 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 653 | 5 | 3 | 6 | 3.2 | CC(C[C@H]1C(=O)N2CCC[C@H]2[C@]2(N1C(=O)[C@@](O2)(NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c([nH]3)Br)C(C)C)O)C | None | |||
| 403 | 729 | 40 | None | -36 | 36 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 653 | 5 | 3 | 6 | 3.2 | CC(C[C@H]1C(=O)N2CCC[C@H]2[C@]2(N1C(=O)[C@@](O2)(NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c([nH]3)Br)C(C)C)O)C | None | |||
| CHEMBL493 | 729 | 40 | None | -36 | 36 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 653 | 5 | 3 | 6 | 3.2 | CC(C[C@H]1C(=O)N2CCC[C@H]2[C@]2(N1C(=O)[C@@](O2)(NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c([nH]3)Br)C(C)C)O)C | None | |||
| DB01200 | 729 | 40 | None | -36 | 36 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 653 | 5 | 3 | 6 | 3.2 | CC(C[C@H]1C(=O)N2CCC[C@H]2[C@]2(N1C(=O)[C@@](O2)(NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c([nH]3)Br)C(C)C)O)C | None | |||
| 4209 | 3163 | 75 | None | -181 | 33 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | None | |||
| 4893 | 3163 | 75 | None | -181 | 33 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | None | |||
| 503 | 3163 | 75 | None | -181 | 33 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | None | |||
| 5385 | 3163 | 75 | None | -181 | 33 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | None | |||
| CHEMBL2 | 3163 | 75 | None | -181 | 33 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | None | |||
| DB00457 | 3163 | 75 | None | -181 | 33 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | None | |||
| 37 | 778 | 60 | None | -5 | 17 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 451 | 8 | 2 | 4 | 3.2 | C=CCN1C[C@@H](C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3)C(=O)N(C(=O)NCC)CCCN(C)C | None | |||
| 460 | 778 | 60 | None | -5 | 17 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 451 | 8 | 2 | 4 | 3.2 | C=CCN1C[C@@H](C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3)C(=O)N(C(=O)NCC)CCCN(C)C | None | |||
| 54746 | 778 | 60 | None | -5 | 17 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 451 | 8 | 2 | 4 | 3.2 | C=CCN1C[C@@H](C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3)C(=O)N(C(=O)NCC)CCCN(C)C | None | |||
| CHEMBL1201087 | 778 | 60 | None | -5 | 17 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 451 | 8 | 2 | 4 | 3.2 | C=CCN1C[C@@H](C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3)C(=O)N(C(=O)NCC)CCCN(C)C | None | |||
| DB00248 | 778 | 60 | None | -5 | 17 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 451 | 8 | 2 | 4 | 3.2 | C=CCN1C[C@@H](C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3)C(=O)N(C(=O)NCC)CCCN(C)C | None | |||
| 1816 | 2540 | 102 | None | -38 | 18 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 265 | 0 | 0 | 3 | 2.5 | CN1CCN2C(C1)c1ccccc1Cc1c2nccc1 | None | |||
| 4205 | 2540 | 102 | None | -38 | 18 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 265 | 0 | 0 | 3 | 2.5 | CN1CCN2C(C1)c1ccccc1Cc1c2nccc1 | None | |||
| 7241 | 2540 | 102 | None | -38 | 18 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 265 | 0 | 0 | 3 | 2.5 | CN1CCN2C(C1)c1ccccc1Cc1c2nccc1 | None | |||
| CHEMBL654 | 2540 | 102 | None | -38 | 18 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 265 | 0 | 0 | 3 | 2.5 | CN1CCN2C(C1)c1ccccc1Cc1c2nccc1 | None | |||
| DB00370 | 2540 | 102 | None | -38 | 18 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 265 | 0 | 0 | 3 | 2.5 | CN1CCN2C(C1)c1ccccc1Cc1c2nccc1 | None | |||
| 3294 | 2006 | 111 | None | -16 | 45 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 426 | 8 | 0 | 6 | 4.8 | COc1cc(ccc1OCCCN1CCC(CC1)c1noc2c1ccc(c2)F)C(=O)C | None | |||
| 71360 | 2006 | 111 | None | -16 | 45 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 426 | 8 | 0 | 6 | 4.8 | COc1cc(ccc1OCCCN1CCC(CC1)c1noc2c1ccc(c2)F)C(=O)C | None | |||
| 87 | 2006 | 111 | None | -16 | 45 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 426 | 8 | 0 | 6 | 4.8 | COc1cc(ccc1OCCCN1CCC(CC1)c1noc2c1ccc(c2)F)C(=O)C | None | |||
| CHEMBL14376 | 2006 | 111 | None | -16 | 45 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 426 | 8 | 0 | 6 | 4.8 | COc1cc(ccc1OCCCN1CCC(CC1)c1noc2c1ccc(c2)F)C(=O)C | None | |||
| DB04946 | 2006 | 111 | None | -16 | 45 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 426 | 8 | 0 | 6 | 4.8 | COc1cc(ccc1OCCCN1CCC(CC1)c1noc2c1ccc(c2)F)C(=O)C | None | |||
| 26987 | 949 | 33 | None | -107 | 21 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 343 | 6 | 0 | 2 | 5.1 | Clc1ccc(cc1)[C@@](c1ccccc1)(OCC[C@H]1CCCN1C)C | None | |||
| 6063 | 949 | 33 | None | -107 | 21 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 343 | 6 | 0 | 2 | 5.1 | Clc1ccc(cc1)[C@@](c1ccccc1)(OCC[C@H]1CCCN1C)C | None | |||
| 671 | 949 | 33 | None | -107 | 21 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 343 | 6 | 0 | 2 | 5.1 | Clc1ccc(cc1)[C@@](c1ccccc1)(OCC[C@H]1CCCN1C)C | None | |||
| CHEMBL1626 | 949 | 33 | None | -107 | 21 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 343 | 6 | 0 | 2 | 5.1 | Clc1ccc(cc1)[C@@](c1ccccc1)(OCC[C@H]1CCCN1C)C | None | |||
| DB00283 | 949 | 33 | None | -107 | 21 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 343 | 6 | 0 | 2 | 5.1 | Clc1ccc(cc1)[C@@](c1ccccc1)(OCC[C@H]1CCCN1C)C | None | |||
| 2585 | 803 | 103 | None | -16 | 21 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 406 | 10 | 3 | 5 | 3.7 | COc1ccccc1OCCNCC(COc1cccc2c1c1ccccc1[nH]2)O | None | |||
| 522 | 803 | 103 | None | -16 | 21 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 406 | 10 | 3 | 5 | 3.7 | COc1ccccc1OCCNCC(COc1cccc2c1c1ccccc1[nH]2)O | None | |||
| 551 | 803 | 103 | None | -16 | 21 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 406 | 10 | 3 | 5 | 3.7 | COc1ccccc1OCCNCC(COc1cccc2c1c1ccccc1[nH]2)O | None | |||
| CHEMBL723 | 803 | 103 | None | -16 | 21 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 406 | 10 | 3 | 5 | 3.7 | COc1ccccc1OCCNCC(COc1cccc2c1c1ccccc1[nH]2)O | None | |||
| DB01136 | 803 | 103 | None | -16 | 21 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 406 | 10 | 3 | 5 | 3.7 | COc1ccccc1OCCNCC(COc1cccc2c1c1ccccc1[nH]2)O | None | |||
| 68712 | 100338 | 60 | None | -1 | 5 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 180 | 3 | 1 | 3 | 1.2 | C1COC(NC(C2CC2)C2CC2)=N1 | None | |||
| CHEMBL289480 | 100338 | 60 | None | -1 | 5 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 180 | 3 | 1 | 3 | 1.2 | C1COC(NC(C2CC2)C2CC2)=N1 | None | |||
| 2274 | 3173 | 58 | None | -4 | 31 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 373 | 4 | 0 | 4 | 4.6 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(Cl)cc2 | None | |||
| 4917 | 3173 | 58 | None | -4 | 31 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 373 | 4 | 0 | 4 | 4.6 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(Cl)cc2 | None | |||
| 7279 | 3173 | 58 | None | -4 | 31 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 373 | 4 | 0 | 4 | 4.6 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(Cl)cc2 | None | |||
| CHEMBL728 | 3173 | 58 | None | -4 | 31 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 373 | 4 | 0 | 4 | 4.6 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(Cl)cc2 | None | |||
| DB00433 | 3173 | 58 | None | -4 | 31 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 373 | 4 | 0 | 4 | 4.6 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(Cl)cc2 | None | |||
| 213046 | 2385 | 59 | None | -10 | 9 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 492 | 5 | 0 | 6 | 4.3 | O=C1N(C[C@@H]2CCCC[C@H]2CN2CCN(CC2)c2nsc3c2cccc3)C(=O)[C@@H]2[C@H]1[C@H]1CC[C@@H]2C1 | None | |||
| 4168 | 2385 | 59 | None | -10 | 9 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 492 | 5 | 0 | 6 | 4.3 | O=C1N(C[C@@H]2CCCC[C@H]2CN2CCN(CC2)c2nsc3c2cccc3)C(=O)[C@@H]2[C@H]1[C@H]1CC[C@@H]2C1 | None | |||
| 7461 | 2385 | 59 | None | -10 | 9 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 492 | 5 | 0 | 6 | 4.3 | O=C1N(C[C@@H]2CCCC[C@H]2CN2CCN(CC2)c2nsc3c2cccc3)C(=O)[C@@H]2[C@H]1[C@H]1CC[C@@H]2C1 | None | |||
| CHEMBL1237021 | 2385 | 59 | None | -10 | 9 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 492 | 5 | 0 | 6 | 4.3 | O=C1N(C[C@@H]2CCCC[C@H]2CN2CCN(CC2)c2nsc3c2cccc3)C(=O)[C@@H]2[C@H]1[C@H]1CC[C@@H]2C1 | None | |||
| DB08815 | 2385 | 59 | None | -10 | 9 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 492 | 5 | 0 | 6 | 4.3 | O=C1N(C[C@@H]2CCCC[C@H]2CN2CCN(CC2)c2nsc3c2cccc3)C(=O)[C@@H]2[C@H]1[C@H]1CC[C@@H]2C1 | None | |||
| 25137849 | 216179 | 0 | 3H-CLONIDINE | 1 | 40 | Human | 6.2 | pKi | = | 6.2 | Binding | PDSP KiDatabase | 165 | 3 | 2 | 2 | 1.3 | CC(C(C1=CC=CC=C1)O)NC | None | |||
| 71290 | 216179 | 0 | 3H-CLONIDINE | 1 | 40 | Human | 6.2 | pKi | = | 6.2 | Binding | PDSP KiDatabase | 165 | 3 | 2 | 2 | 1.3 | CC(C(C1=CC=CC=C1)O)NC | None | |||
| 124 | 2981 | 47 | 3H-RAUWOLSCINE | -104 | 33 | North American opossum | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | None | |||
| 2032 | 2981 | 47 | 3H-RAUWOLSCINE | -104 | 33 | North American opossum | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | None | |||
| 4636 | 2981 | 47 | 3H-RAUWOLSCINE | -104 | 33 | North American opossum | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | None | |||
| CHEMBL762 | 2981 | 47 | 3H-RAUWOLSCINE | -104 | 33 | North American opossum | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | None | |||
| DB00935 | 2981 | 47 | 3H-RAUWOLSCINE | -104 | 33 | North American opossum | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | None | |||
| 100 | 3805 | 58 | 3H-CLONIDINE | -27 | 55 | Human | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | None | |||
| 2637 | 3805 | 58 | 3H-CLONIDINE | -27 | 55 | Human | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | None | |||
| 5452 | 3805 | 58 | 3H-CLONIDINE | -27 | 55 | Human | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | None | |||
| CHEMBL479 | 3805 | 58 | 3H-CLONIDINE | -27 | 55 | Human | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | None | |||
| DB00679 | 3805 | 58 | 3H-CLONIDINE | -27 | 55 | Human | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | None | |||
| 100 | 3805 | 58 | 3H-CLONIDINE | -27 | 55 | Human | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | None | |||
| 2637 | 3805 | 58 | 3H-CLONIDINE | -27 | 55 | Human | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | None | |||
| 5452 | 3805 | 58 | 3H-CLONIDINE | -27 | 55 | Human | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | None | |||
| CHEMBL479 | 3805 | 58 | 3H-CLONIDINE | -27 | 55 | Human | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | None | |||
| DB00679 | 3805 | 58 | 3H-CLONIDINE | -27 | 55 | Human | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | None | |||
| 2683 | 3834 | 60 | 3H-RAUWOLSCINE | 1 | 4 | Human | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 253 | 1 | 2 | 6 | 1.7 | Clc1ccc2c(c1NC1=NCCN1)nsn2 | None | |||
| 5487 | 3834 | 60 | 3H-RAUWOLSCINE | 1 | 4 | Human | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 253 | 1 | 2 | 6 | 1.7 | Clc1ccc2c(c1NC1=NCCN1)nsn2 | None | |||
| 7308 | 3834 | 60 | 3H-RAUWOLSCINE | 1 | 4 | Human | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 253 | 1 | 2 | 6 | 1.7 | Clc1ccc2c(c1NC1=NCCN1)nsn2 | None | |||
| CHEMBL1079 | 3834 | 60 | 3H-RAUWOLSCINE | 1 | 4 | Human | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 253 | 1 | 2 | 6 | 1.7 | Clc1ccc2c(c1NC1=NCCN1)nsn2 | None | |||
| DB00697 | 3834 | 60 | 3H-RAUWOLSCINE | 1 | 4 | Human | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 253 | 1 | 2 | 6 | 1.7 | Clc1ccc2c(c1NC1=NCCN1)nsn2 | None | |||
| None | 216325 | 0 | 3H-CLONIDINE | 1 | 40 | Human | 6.1 | pKi | = | 6.1 | Binding | PDSP KiDatabase | 149 | 2 | 1 | 2 | 1.2 | CC(C(=O)C1=CC=CC=C1)N | None | |||
| 2865 | 4143 | 73 | 3H-CLONIDINE | -64 | 53 | Human | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 412 | 4 | 1 | 5 | 3.8 | O=C1Nc2c(C1)cc(c(c2)Cl)CCN1CCN(CC1)c1nsc2c1cccc2 | None | |||
| 2865 | 4143 | 73 | 3H-RAUWOLSCINE | -64 | 53 | Human | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 412 | 4 | 1 | 5 | 3.8 | O=C1Nc2c(C1)cc(c(c2)Cl)CCN1CCN(CC1)c1nsc2c1cccc2 | None | |||
| 59 | 4143 | 73 | 3H-CLONIDINE | -64 | 53 | Human | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 412 | 4 | 1 | 5 | 3.8 | O=C1Nc2c(C1)cc(c(c2)Cl)CCN1CCN(CC1)c1nsc2c1cccc2 | None | |||
| 59 | 4143 | 73 | 3H-RAUWOLSCINE | -64 | 53 | Human | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 412 | 4 | 1 | 5 | 3.8 | O=C1Nc2c(C1)cc(c(c2)Cl)CCN1CCN(CC1)c1nsc2c1cccc2 | None | |||
| 60854 | 4143 | 73 | 3H-CLONIDINE | -64 | 53 | Human | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 412 | 4 | 1 | 5 | 3.8 | O=C1Nc2c(C1)cc(c(c2)Cl)CCN1CCN(CC1)c1nsc2c1cccc2 | None | |||
| 60854 | 4143 | 73 | 3H-RAUWOLSCINE | -64 | 53 | Human | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 412 | 4 | 1 | 5 | 3.8 | O=C1Nc2c(C1)cc(c(c2)Cl)CCN1CCN(CC1)c1nsc2c1cccc2 | None | |||
| CHEMBL708 | 4143 | 73 | 3H-CLONIDINE | -64 | 53 | Human | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 412 | 4 | 1 | 5 | 3.8 | O=C1Nc2c(C1)cc(c(c2)Cl)CCN1CCN(CC1)c1nsc2c1cccc2 | None | |||
| CHEMBL708 | 4143 | 73 | 3H-RAUWOLSCINE | -64 | 53 | Human | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 412 | 4 | 1 | 5 | 3.8 | O=C1Nc2c(C1)cc(c(c2)Cl)CCN1CCN(CC1)c1nsc2c1cccc2 | None | |||
| DB00246 | 4143 | 73 | 3H-CLONIDINE | -64 | 53 | Human | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 412 | 4 | 1 | 5 | 3.8 | O=C1Nc2c(C1)cc(c(c2)Cl)CCN1CCN(CC1)c1nsc2c1cccc2 | None | |||
| DB00246 | 4143 | 73 | 3H-RAUWOLSCINE | -64 | 53 | Human | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 412 | 4 | 1 | 5 | 3.8 | O=C1Nc2c(C1)cc(c(c2)Cl)CCN1CCN(CC1)c1nsc2c1cccc2 | None | |||
| 1613 | 2348 | 53 | 3H-CLONIDINE | -6 | 44 | Human | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 327 | 0 | 0 | 4 | 3.8 | CN1CCN(CC1)C1=Nc2ccccc2Oc2c1cc(Cl)cc2 | None | |||
| 205 | 2348 | 53 | 3H-CLONIDINE | -6 | 44 | Human | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 327 | 0 | 0 | 4 | 3.8 | CN1CCN(CC1)C1=Nc2ccccc2Oc2c1cc(Cl)cc2 | None | |||
| 3964 | 2348 | 53 | 3H-CLONIDINE | -6 | 44 | Human | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 327 | 0 | 0 | 4 | 3.8 | CN1CCN(CC1)C1=Nc2ccccc2Oc2c1cc(Cl)cc2 | None | |||
| CHEMBL831 | 2348 | 53 | 3H-CLONIDINE | -6 | 44 | Human | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 327 | 0 | 0 | 4 | 3.8 | CN1CCN(CC1)C1=Nc2ccccc2Oc2c1cc(Cl)cc2 | None | |||
| DB00408 | 2348 | 53 | 3H-CLONIDINE | -6 | 44 | Human | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 327 | 0 | 0 | 4 | 3.8 | CN1CCN(CC1)C1=Nc2ccccc2Oc2c1cc(Cl)cc2 | None | |||
| 11750482 | 147421 | 0 | UNDEFINED | 19 | 3 | Human | 8.1 | pKi | = | 8.1 | Binding | PDSP KiDatabase | 419 | 6 | 0 | 6 | 5.3 | COc1cc2c(cc1OC)CN(Cc1ccc(OC)c3oc(-c4ccco4)cc13)CC2 | None | |||
| CHEMBL392991 | 147421 | 0 | UNDEFINED | 19 | 3 | Human | 8.1 | pKi | = | 8.1 | Binding | PDSP KiDatabase | 419 | 6 | 0 | 6 | 5.3 | COc1cc2c(cc1OC)CN(Cc1ccc(OC)c3oc(-c4ccco4)cc13)CC2 | None | |||
| 180 | 401 | 56 | None | -16 | 40 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | None | |||
| 200 | 401 | 56 | None | -16 | 40 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | None | |||
| 2160 | 401 | 56 | None | -16 | 40 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | None | |||
| CHEMBL629 | 401 | 56 | None | -16 | 40 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | None | |||
| DB00321 | 401 | 56 | None | -16 | 40 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | None | |||
| 2142 | 3096 | 58 | None | -7 | 36 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | None | |||
| 4920903 | 3096 | 58 | None | -7 | 36 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | None | |||
| 502 | 3096 | 58 | None | -7 | 36 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | None | |||
| 5775 | 3096 | 58 | None | -7 | 36 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | None | |||
| CHEMBL597 | 3096 | 58 | None | -7 | 36 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | None | |||
| DB00692 | 3096 | 58 | None | -7 | 36 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | None | |||
| 129211 | 3749 | 78 | None | -51 | 15 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | None | |||
| 2562 | 3749 | 78 | None | -51 | 15 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | None | |||
| 488 | 3749 | 78 | None | -51 | 15 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | None | |||
| CHEMBL836 | 3749 | 78 | None | -51 | 15 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | None | |||
| DB00706 | 3749 | 78 | None | -51 | 15 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | None | |||
| 6761 | 67799 | 19 | None | -3 | 18 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 401 | 5 | 1 | 4 | 4.5 | NC(=O)C1CCN(CCCN2c3ccccc3Sc3ccc(Cl)cc32)CC1 | None | |||
| CHEMBL1909072 | 67799 | 19 | None | -3 | 18 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 401 | 5 | 1 | 4 | 4.5 | NC(=O)C1CCN(CCCN2c3ccccc3Sc3ccc(Cl)cc32)CC1 | None | |||
| 115237 | 55585 | 119 | None | -29 | 54 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 426 | 4 | 1 | 7 | 3.1 | Cc1nc2n(c(=O)c1CCN1CCC(c3noc4cc(F)ccc34)CC1)CCCC2O | None | |||
| CHEMBL1621 | 55585 | 119 | None | -29 | 54 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 426 | 4 | 1 | 7 | 3.1 | Cc1nc2n(c(=O)c1CCN1CCC(c3noc4cc(F)ccc34)CC1)CCCC2O | None | |||
| 134551 | 358 | 27 | None | -5 | 21 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 575 | 5 | 3 | 6 | 2.4 | CC(C[C@H]1C(=O)N2CCC[C@H]2[C@]2(N1C(=O)[C@@](O2)(NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)C(C)C)O)C | None | |||
| 271 | 358 | 27 | None | -5 | 21 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 575 | 5 | 3 | 6 | 2.4 | CC(C[C@H]1C(=O)N2CCC[C@H]2[C@]2(N1C(=O)[C@@](O2)(NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)C(C)C)O)C | None | |||
| 885 | 358 | 27 | None | -5 | 21 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 575 | 5 | 3 | 6 | 2.4 | CC(C[C@H]1C(=O)N2CCC[C@H]2[C@]2(N1C(=O)[C@@](O2)(NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)C(C)C)O)C | None | |||
| CHEMBL1403281 | 358 | 27 | None | -5 | 21 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 575 | 5 | 3 | 6 | 2.4 | CC(C[C@H]1C(=O)N2CCC[C@H]2[C@]2(N1C(=O)[C@@](O2)(NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)C(C)C)O)C | None | |||
| 135 | 2532 | 43 | None | -6 | 58 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | None | |||
| 1796 | 2532 | 43 | None | -6 | 58 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | None | |||
| 4184 | 2532 | 43 | None | -6 | 58 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | None | |||
| CHEMBL6437 | 2532 | 43 | None | -6 | 58 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | None | |||
| DB06148 | 2532 | 43 | None | -6 | 58 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | None | |||
| 2389 | 3331 | 118 | None | -10 | 67 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | None | |||
| 5073 | 3331 | 118 | None | -10 | 67 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | None | |||
| 96 | 3331 | 118 | None | -10 | 67 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | None | |||
| CHEMBL85 | 3331 | 118 | None | -10 | 67 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | None | |||
| DB00734 | 3331 | 118 | None | -10 | 67 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | None | |||
| 135398737 | 958 | 93 | None | -3 | 89 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | |||
| 38 | 958 | 93 | None | -3 | 89 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | |||
| 722 | 958 | 93 | None | -3 | 89 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | |||
| CHEMBL42 | 958 | 93 | None | -3 | 89 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | |||
| DB00363 | 958 | 93 | None | -3 | 89 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | |||
| 11954224 | 215953 | 0 | None | -4168 | 58 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 581 | 4 | 3 | 6 | 2.0 | CC1(C(=O)N2C(C(=O)N3CCCC3C2(O1)O)CC4=CC=CC=C4)NC(=O)C5CN(C6CC7=CNC8=CC=CC(=C78)C6=C5)C | None | |||
| 10531 | 1420 | 21 | None | -9 | 23 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 583 | 4 | 3 | 6 | 2.1 | CN1C[C@@H](C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3)C(=O)N[C@]1(C)O[C@@]2(N(C1=O)[C@@H](Cc1ccccc1)C(=O)N1[C@H]2CCC1)O | None | |||
| 121 | 1420 | 21 | None | -9 | 23 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 583 | 4 | 3 | 6 | 2.1 | CN1C[C@@H](C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3)C(=O)N[C@]1(C)O[C@@]2(N(C1=O)[C@@H](Cc1ccccc1)C(=O)N1[C@H]2CCC1)O | None | |||
| 888 | 1420 | 21 | None | -9 | 23 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 583 | 4 | 3 | 6 | 2.1 | CN1C[C@@H](C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3)C(=O)N[C@]1(C)O[C@@]2(N(C1=O)[C@@H](Cc1ccccc1)C(=O)N1[C@H]2CCC1)O | None | |||
| CHEMBL1732 | 1420 | 21 | None | -9 | 23 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 583 | 4 | 3 | 6 | 2.1 | CN1C[C@@H](C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3)C(=O)N[C@]1(C)O[C@@]2(N(C1=O)[C@@H](Cc1ccccc1)C(=O)N1[C@H]2CCC1)O | None | |||
| DB00320 | 1420 | 21 | None | -9 | 23 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 583 | 4 | 3 | 6 | 2.1 | CN1C[C@@H](C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3)C(=O)N[C@]1(C)O[C@@]2(N(C1=O)[C@@H](Cc1ccccc1)C(=O)N1[C@H]2CCC1)O | None | |||
| 107715 | 200945 | 22 | None | -7 | 19 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 611 | 5 | 3 | 6 | 2.7 | CC(C)[C@@]1(NC(=O)[C@@H]2C[C@@H]3c4cccc5[nH]cc(c45)C[C@H]3N(C)C2)O[C@@]2(O)[C@@H]3CCCN3C(=O)[C@H](Cc3ccccc3)N2C1=O | None | |||
| CHEMBL1255837 | 200945 | 22 | None | -7 | 19 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 611 | 5 | 3 | 6 | 2.7 | CC(C)[C@@]1(NC(=O)[C@@H]2C[C@@H]3c4cccc5[nH]cc(c45)C[C@H]3N(C)C2)O[C@@]2(O)[C@@H]3CCCN3C(=O)[C@H](Cc3ccccc3)N2C1=O | None | |||
| CHEMBL601773 | 200945 | 22 | None | -7 | 19 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 611 | 5 | 3 | 6 | 2.7 | CC(C)[C@@]1(NC(=O)[C@@H]2C[C@@H]3c4cccc5[nH]cc(c45)C[C@H]3N(C)C2)O[C@@]2(O)[C@@H]3CCCN3C(=O)[C@H](Cc3ccccc3)N2C1=O | None | |||
| 1613 | 2348 | 53 | 3H-CLONIDINE | -6 | 44 | Human | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 327 | 0 | 0 | 4 | 3.8 | CN1CCN(CC1)C1=Nc2ccccc2Oc2c1cc(Cl)cc2 | None | |||
| 205 | 2348 | 53 | 3H-CLONIDINE | -6 | 44 | Human | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 327 | 0 | 0 | 4 | 3.8 | CN1CCN(CC1)C1=Nc2ccccc2Oc2c1cc(Cl)cc2 | None | |||
| 3964 | 2348 | 53 | 3H-CLONIDINE | -6 | 44 | Human | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 327 | 0 | 0 | 4 | 3.8 | CN1CCN(CC1)C1=Nc2ccccc2Oc2c1cc(Cl)cc2 | None | |||
| CHEMBL831 | 2348 | 53 | 3H-CLONIDINE | -6 | 44 | Human | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 327 | 0 | 0 | 4 | 3.8 | CN1CCN(CC1)C1=Nc2ccccc2Oc2c1cc(Cl)cc2 | None | |||
| DB00408 | 2348 | 53 | 3H-CLONIDINE | -6 | 44 | Human | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 327 | 0 | 0 | 4 | 3.8 | CN1CCN(CC1)C1=Nc2ccccc2Oc2c1cc(Cl)cc2 | None | |||
| 10836 | 14467 | 14 | 3H-CLONIDINE | -1 | 9 | Human | 6.1 | pKi | = | 6.1 | Binding | PDSP KiDatabase | 149 | 3 | 1 | 1 | 1.8 | CN[C@@H](C)Cc1ccccc1 | None | |||
| CHEMBL1201201 | 14467 | 14 | 3H-CLONIDINE | -1 | 9 | Human | 6.1 | pKi | = | 6.1 | Binding | PDSP KiDatabase | 149 | 3 | 1 | 1 | 1.8 | CN[C@@H](C)Cc1ccccc1 | None | |||
| 135398745 | 2914 | 112 | 3H-RAUWOLSCINE | -30 | 65 | Human | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | None | |||
| 47 | 2914 | 112 | 3H-RAUWOLSCINE | -30 | 65 | Human | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | None | |||
| CHEMBL715 | 2914 | 112 | 3H-RAUWOLSCINE | -30 | 65 | Human | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | None | |||
| DB00334 | 2914 | 112 | 3H-RAUWOLSCINE | -30 | 65 | Human | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | None | |||
| 209 | 3057 | 97 | 3H-CLONIDINE | -34 | 23 | Human | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 403 | 6 | 1 | 5 | 3.9 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(Cl)cc2 | None | |||
| 2113 | 3057 | 97 | 3H-CLONIDINE | -34 | 23 | Human | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 403 | 6 | 1 | 5 | 3.9 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(Cl)cc2 | None | |||
| 4748 | 3057 | 97 | 3H-CLONIDINE | -34 | 23 | Human | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 403 | 6 | 1 | 5 | 3.9 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(Cl)cc2 | None | |||
| CHEMBL567 | 3057 | 97 | 3H-CLONIDINE | -34 | 23 | Human | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 403 | 6 | 1 | 5 | 3.9 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(Cl)cc2 | None | |||
| DB00850 | 3057 | 97 | 3H-CLONIDINE | -34 | 23 | Human | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 403 | 6 | 1 | 5 | 3.9 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(Cl)cc2 | None | |||
| 4158 | 205341 | 21 | 125I-Clonidine | 1 | 21 | Human | 6.1 | pKi | = | 6.1 | Binding | PDSP KiDatabase | 233 | 3 | 1 | 3 | 2.1 | COC(=O)C(c1ccccc1)C1CCCCN1 | None | |||
| CHEMBL1722 | 205341 | 21 | 125I-Clonidine | 1 | 21 | Human | 6.1 | pKi | = | 6.1 | Binding | PDSP KiDatabase | 233 | 3 | 1 | 3 | 2.1 | COC(=O)C(c1ccccc1)C1CCCCN1 | None | |||
| CHEMBL796 | 205341 | 21 | 125I-Clonidine | 1 | 21 | Human | 6.1 | pKi | = | 6.1 | Binding | PDSP KiDatabase | 233 | 3 | 1 | 3 | 2.1 | COC(=O)C(c1ccccc1)C1CCCCN1 | None | |||
| 134 | 2514 | 24 | 3H-CLONIDINE | -21 | 67 | Human | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 353 | 4 | 2 | 4 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)cn3C)CO | None | |||
| 1775 | 2514 | 24 | 3H-CLONIDINE | -21 | 67 | Human | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 353 | 4 | 2 | 4 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)cn3C)CO | None | |||
| 9681 | 2514 | 24 | 3H-CLONIDINE | -21 | 67 | Human | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 353 | 4 | 2 | 4 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)cn3C)CO | None | |||
| CHEMBL1065 | 2514 | 24 | 3H-CLONIDINE | -21 | 67 | Human | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 353 | 4 | 2 | 4 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)cn3C)CO | None | |||
| DB00247 | 2514 | 24 | 3H-CLONIDINE | -21 | 67 | Human | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 353 | 4 | 2 | 4 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)cn3C)CO | None | |||
| 124 | 2981 | 47 | None | -60 | 33 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | None | |||
| 2032 | 2981 | 47 | None | -60 | 33 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | None | |||
| 4636 | 2981 | 47 | None | -60 | 33 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | None | |||
| CHEMBL762 | 2981 | 47 | None | -60 | 33 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | None | |||
| DB00935 | 2981 | 47 | None | -60 | 33 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | None | |||
| None | 216330 | 0 | UNDEFINED | -8 | 28 | Human | 8.1 | pKi | = | 8.1 | Binding | PDSP KiDatabase | 610 | 6 | 10 | 16 | -1.7 | CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC(=C(C=C5)O)O)O)O)O)O)O)O | None | |||
| 2601 | 3780 | 33 | None | -2 | 21 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 340 | 3 | 2 | 2 | 2.9 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)c[nH]3)CC | None | |||
| 443951 | 3780 | 33 | None | -2 | 21 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 340 | 3 | 2 | 2 | 2.9 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)c[nH]3)CC | None | |||
| 56 | 3780 | 33 | None | -2 | 21 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 340 | 3 | 2 | 2 | 2.9 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)c[nH]3)CC | None | |||
| CHEMBL73151 | 3780 | 33 | None | -2 | 21 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 340 | 3 | 2 | 2 | 2.9 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)c[nH]3)CC | None | |||
| DB13399 | 3780 | 33 | None | -2 | 21 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 340 | 3 | 2 | 2 | 2.9 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)c[nH]3)CC | None | |||
| 135398737 | 958 | 93 | 3H-RAUWOLSCINE | -3 | 89 | Human | 8.0 | pKi | = | 8.0 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | |||
| 38 | 958 | 93 | 3H-RAUWOLSCINE | -3 | 89 | Human | 8.0 | pKi | = | 8.0 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | |||
| 722 | 958 | 93 | 3H-RAUWOLSCINE | -3 | 89 | Human | 8.0 | pKi | = | 8.0 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | |||
| CHEMBL42 | 958 | 93 | 3H-RAUWOLSCINE | -3 | 89 | Human | 8.0 | pKi | = | 8.0 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | |||
| DB00363 | 958 | 93 | 3H-RAUWOLSCINE | -3 | 89 | Human | 8.0 | pKi | = | 8.0 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | |||
| 2389 | 3331 | 118 | 3H-RAUWOLSCINE | -10 | 67 | Human | 8.0 | pKi | = | 8.0 | Binding | PDSP KiDatabase | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | None | |||
| 5073 | 3331 | 118 | 3H-RAUWOLSCINE | -10 | 67 | Human | 8.0 | pKi | = | 8.0 | Binding | PDSP KiDatabase | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | None | |||
| 96 | 3331 | 118 | 3H-RAUWOLSCINE | -10 | 67 | Human | 8.0 | pKi | = | 8.0 | Binding | PDSP KiDatabase | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | None | |||
| CHEMBL85 | 3331 | 118 | 3H-RAUWOLSCINE | -10 | 67 | Human | 8.0 | pKi | = | 8.0 | Binding | PDSP KiDatabase | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | None | |||
| DB00734 | 3331 | 118 | 3H-RAUWOLSCINE | -10 | 67 | Human | 8.0 | pKi | = | 8.0 | Binding | PDSP KiDatabase | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | None | |||
| 1588 | 2325 | 27 | None | -3 | 44 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 338 | 3 | 2 | 2 | 2.8 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | None | |||
| 28864 | 2325 | 27 | None | -3 | 44 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 338 | 3 | 2 | 2 | 2.8 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | None | |||
| 43 | 2325 | 27 | None | -3 | 44 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 338 | 3 | 2 | 2 | 2.8 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | None | |||
| CHEMBL157138 | 2325 | 27 | None | -3 | 44 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 338 | 3 | 2 | 2 | 2.8 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | None | |||
| DB00589 | 2325 | 27 | None | -3 | 44 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 338 | 3 | 2 | 2 | 2.8 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | None | |||
| 11978813 | 721 | 79 | None | -11 | 24 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 433 | 7 | 1 | 5 | 4.7 | O=c1ccc2c([nH]1)cc(cc2)OCCCCN1CCN(CC1)c1cccc2c1ccs2 | None | |||
| 5014 | 721 | 79 | None | -11 | 24 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 433 | 7 | 1 | 5 | 4.7 | O=c1ccc2c([nH]1)cc(cc2)OCCCCN1CCN(CC1)c1cccc2c1ccs2 | None | |||
| 7672 | 721 | 79 | None | -11 | 24 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 433 | 7 | 1 | 5 | 4.7 | O=c1ccc2c([nH]1)cc(cc2)OCCCCN1CCN(CC1)c1cccc2c1ccs2 | None | |||
| CHEMBL2105760 | 721 | 79 | None | -11 | 24 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 433 | 7 | 1 | 5 | 4.7 | O=c1ccc2c([nH]1)cc(cc2)OCCCCN1CCN(CC1)c1cccc2c1ccs2 | None | |||
| DB09128 | 721 | 79 | None | -11 | 24 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 433 | 7 | 1 | 5 | 4.7 | O=c1ccc2c([nH]1)cc(cc2)OCCCCN1CCN(CC1)c1cccc2c1ccs2 | None | |||
| 102 | 4127 | 48 | None | -2 | 49 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | None | |||
| 3659 | 4127 | 48 | None | -2 | 49 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | None | |||
| 8969 | 4127 | 48 | None | -2 | 49 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | None | |||
| CHEMBL15245 | 4127 | 48 | None | -2 | 49 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | None | |||
| DB01392 | 4127 | 48 | None | -2 | 49 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | None | |||
| 521 | 1404 | 69 | None | -30 | 7 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 200 | 2 | 1 | 1 | 3.2 | Cc1cccc(c1C)[C@@H](c1c[nH]cn1)C | None | |||
| 5311068 | 1404 | 69 | None | -30 | 7 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 200 | 2 | 1 | 1 | 3.2 | Cc1cccc(c1C)[C@@H](c1c[nH]cn1)C | None | |||
| 835 | 1404 | 69 | None | -30 | 7 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 200 | 2 | 1 | 1 | 3.2 | Cc1cccc(c1C)[C@@H](c1c[nH]cn1)C | None | |||
| CHEMBL778 | 1404 | 69 | None | -30 | 7 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 200 | 2 | 1 | 1 | 3.2 | Cc1cccc(c1C)[C@@H](c1c[nH]cn1)C | None | |||
| DB00633 | 1404 | 69 | None | -30 | 7 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 200 | 2 | 1 | 1 | 3.2 | Cc1cccc(c1C)[C@@H](c1c[nH]cn1)C | None | |||
| 44438161 | 147141 | 0 | UNDEFINED | 22 | 3 | Human | 8.0 | pKi | = | 8.0 | Binding | PDSP KiDatabase | 543 | 10 | 1 | 7 | 5.0 | COc1cc2c(cc1OC)CN(Cc1ccc(OC)c3oc(-c4cccc(C(=O)NCCN(C)C)c4)cc13)CC2 | None | |||
| CHEMBL392771 | 147141 | 0 | UNDEFINED | 22 | 3 | Human | 8.0 | pKi | = | 8.0 | Binding | PDSP KiDatabase | 543 | 10 | 1 | 7 | 5.0 | COc1cc2c(cc1OC)CN(Cc1ccc(OC)c3oc(-c4cccc(C(=O)NCCN(C)C)c4)cc13)CC2 | None | |||
| 44438165 | 166784 | 0 | UNDEFINED | 48 | 3 | Human | 8.0 | pKi | = | 8.0 | Binding | PDSP KiDatabase | 467 | 9 | 1 | 7 | 3.3 | COc1cc2c(cc1OC)CN(Cc1ccc(OC)c3oc(C(=O)NCCN(C)C)cc13)CC2 | None | |||
| CHEMBL428407 | 166784 | 0 | UNDEFINED | 48 | 3 | Human | 8.0 | pKi | = | 8.0 | Binding | PDSP KiDatabase | 467 | 9 | 1 | 7 | 3.3 | COc1cc2c(cc1OC)CN(Cc1ccc(OC)c3oc(C(=O)NCCN(C)C)cc13)CC2 | None | |||
| 44438148 | 93490 | 0 | UNDEFINED | 14 | 3 | Human | 8.0 | pKi | = | 8.0 | Binding | PDSP KiDatabase | 430 | 6 | 0 | 6 | 5.1 | COc1cc2c(cc1OC)CN(Cc1ccc(OC)c3oc(-c4ccccn4)cc13)CC2 | None | |||
| CHEMBL246229 | 93490 | 0 | UNDEFINED | 14 | 3 | Human | 8.0 | pKi | = | 8.0 | Binding | PDSP KiDatabase | 430 | 6 | 0 | 6 | 5.1 | COc1cc2c(cc1OC)CN(Cc1ccc(OC)c3oc(-c4ccccn4)cc13)CC2 | None | |||
| 2142 | 3096 | 58 | 3H-RAUWOLSCINE | -7 | 36 | Human | 8.0 | pKi | = | 8.0 | Binding | PDSP KiDatabase | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | None | |||
| 4920903 | 3096 | 58 | 3H-RAUWOLSCINE | -7 | 36 | Human | 8.0 | pKi | = | 8.0 | Binding | PDSP KiDatabase | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | None | |||
| 502 | 3096 | 58 | 3H-RAUWOLSCINE | -7 | 36 | Human | 8.0 | pKi | = | 8.0 | Binding | PDSP KiDatabase | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | None | |||
| 5775 | 3096 | 58 | 3H-RAUWOLSCINE | -7 | 36 | Human | 8.0 | pKi | = | 8.0 | Binding | PDSP KiDatabase | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | None | |||
| CHEMBL597 | 3096 | 58 | 3H-RAUWOLSCINE | -7 | 36 | Human | 8.0 | pKi | = | 8.0 | Binding | PDSP KiDatabase | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | None | |||
| DB00692 | 3096 | 58 | 3H-RAUWOLSCINE | -7 | 36 | Human | 8.0 | pKi | = | 8.0 | Binding | PDSP KiDatabase | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | None | |||
| 15897 | 2862 | 0 | 3H-CLONIDINE | -29 | 36 | Human | 6.0 | pKi | = | 6.0 | Binding | PDSP KiDatabase | 203 | 2 | 1 | 1 | 2.6 | CC(Cc1cccc(c1)C(F)(F)F)N | None | |||
| 215 | 2862 | 0 | 3H-CLONIDINE | -29 | 36 | Human | 6.0 | pKi | = | 6.0 | Binding | PDSP KiDatabase | 203 | 2 | 1 | 1 | 2.6 | CC(Cc1cccc(c1)C(F)(F)F)N | None | |||
| CHEMBL1979333 | 2862 | 0 | 3H-CLONIDINE | -29 | 36 | Human | 6.0 | pKi | = | 6.0 | Binding | PDSP KiDatabase | 203 | 2 | 1 | 1 | 2.6 | CC(Cc1cccc(c1)C(F)(F)F)N | None | |||
| 68602 | 205126 | 80 | 35S-GTPGammaS | -4 | 7 | Human | 7.0 | pKi | = | 7.0 | Binding | PDSP KiDatabase | 200 | 2 | 1 | 1 | 3.2 | Cc1cccc(C(C)c2c[nH]cn2)c1C | None | |||
| CHEMBL77921 | 205126 | 80 | 35S-GTPGammaS | -4 | 7 | Human | 7.0 | pKi | = | 7.0 | Binding | PDSP KiDatabase | 200 | 2 | 1 | 1 | 3.2 | Cc1cccc(C(C)c2c[nH]cn2)c1C | None | |||
| 15897 | 2862 | 0 | 3H-CLONIDINE | -29 | 36 | Human | 6.0 | pKi | = | 6.0 | Binding | PDSP KiDatabase | 203 | 2 | 1 | 1 | 2.6 | CC(Cc1cccc(c1)C(F)(F)F)N | None | |||
| 215 | 2862 | 0 | 3H-CLONIDINE | -29 | 36 | Human | 6.0 | pKi | = | 6.0 | Binding | PDSP KiDatabase | 203 | 2 | 1 | 1 | 2.6 | CC(Cc1cccc(c1)C(F)(F)F)N | None | |||
| CHEMBL1979333 | 2862 | 0 | 3H-CLONIDINE | -29 | 36 | Human | 6.0 | pKi | = | 6.0 | Binding | PDSP KiDatabase | 203 | 2 | 1 | 1 | 2.6 | CC(Cc1cccc(c1)C(F)(F)F)N | None | |||
| 104870 | 98880 | 47 | 35S-GTPGammaS | -3 | 21 | Human | 6.0 | pKi | = | 6.0 | Binding | PDSP KiDatabase | 209 | 2 | 1 | 4 | 1.3 | C=CCN1CCc2nc(N)sc2CC1 | None | |||
| 5374 | 98880 | 47 | 35S-GTPGammaS | -3 | 21 | Human | 6.0 | pKi | = | 6.0 | Binding | PDSP KiDatabase | 209 | 2 | 1 | 4 | 1.3 | C=CCN1CCc2nc(N)sc2CC1 | None | |||
| CHEMBL279085 | 98880 | 47 | 35S-GTPGammaS | -3 | 21 | Human | 6.0 | pKi | = | 6.0 | Binding | PDSP KiDatabase | 209 | 2 | 1 | 4 | 1.3 | C=CCN1CCc2nc(N)sc2CC1 | None | |||
| None | 216330 | 0 | 3H-CLONIDINE | -8 | 28 | Human | 5.0 | pKi | = | 5.0 | Binding | PDSP KiDatabase | 610 | 6 | 10 | 16 | -1.7 | CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC(=C(C=C5)O)O)O)O)O)O)O)O | None | |||
| 1593 | 2340 | 66 | None | -6 | 4 | Human | 7.2 | pKi | = | 7.2 | Binding | Guide to Pharmacology | 258 | 3 | 1 | 3 | 2.8 | CC(C1=NCCN1)Oc1c(Cl)cccc1Cl | 22341244 | |||
| 30668 | 2340 | 66 | None | -6 | 4 | Human | 7.2 | pKi | = | 7.2 | Binding | Guide to Pharmacology | 258 | 3 | 1 | 3 | 2.8 | CC(C1=NCCN1)Oc1c(Cl)cccc1Cl | 22341244 | |||
| 9868 | 2340 | 66 | None | -6 | 4 | Human | 7.2 | pKi | = | 7.2 | Binding | Guide to Pharmacology | 258 | 3 | 1 | 3 | 2.8 | CC(C1=NCCN1)Oc1c(Cl)cccc1Cl | 22341244 | |||
| CHEMBL17860 | 2340 | 66 | None | -6 | 4 | Human | 7.2 | pKi | = | 7.2 | Binding | Guide to Pharmacology | 258 | 3 | 1 | 3 | 2.8 | CC(C1=NCCN1)Oc1c(Cl)cccc1Cl | 22341244 | |||
| DB04948 | 2340 | 66 | None | -6 | 4 | Human | 7.2 | pKi | = | 7.2 | Binding | Guide to Pharmacology | 258 | 3 | 1 | 3 | 2.8 | CC(C1=NCCN1)Oc1c(Cl)cccc1Cl | 22341244 | |||
| 1816 | 2540 | 102 | None | -38 | 18 | Human | 7.4 | pKi | = | 7.4 | Binding | Guide to Pharmacology | 265 | 0 | 0 | 3 | 2.5 | CN1CCN2C(C1)c1ccccc1Cc1c2nccc1 | 15771415 | |||
| 1816 | 2540 | 102 | None | -38 | 18 | Human | 7.4 | pKi | = | 7.4 | Binding | Guide to Pharmacology | 265 | 0 | 0 | 3 | 2.5 | CN1CCN2C(C1)c1ccccc1Cc1c2nccc1 | 35224877 | |||
| 4205 | 2540 | 102 | None | -38 | 18 | Human | 7.4 | pKi | = | 7.4 | Binding | Guide to Pharmacology | 265 | 0 | 0 | 3 | 2.5 | CN1CCN2C(C1)c1ccccc1Cc1c2nccc1 | 15771415 | |||
| 4205 | 2540 | 102 | None | -38 | 18 | Human | 7.4 | pKi | = | 7.4 | Binding | Guide to Pharmacology | 265 | 0 | 0 | 3 | 2.5 | CN1CCN2C(C1)c1ccccc1Cc1c2nccc1 | 35224877 | |||
| 7241 | 2540 | 102 | None | -38 | 18 | Human | 7.4 | pKi | = | 7.4 | Binding | Guide to Pharmacology | 265 | 0 | 0 | 3 | 2.5 | CN1CCN2C(C1)c1ccccc1Cc1c2nccc1 | 15771415 | |||
| 7241 | 2540 | 102 | None | -38 | 18 | Human | 7.4 | pKi | = | 7.4 | Binding | Guide to Pharmacology | 265 | 0 | 0 | 3 | 2.5 | CN1CCN2C(C1)c1ccccc1Cc1c2nccc1 | 35224877 | |||
| CHEMBL654 | 2540 | 102 | None | -38 | 18 | Human | 7.4 | pKi | = | 7.4 | Binding | Guide to Pharmacology | 265 | 0 | 0 | 3 | 2.5 | CN1CCN2C(C1)c1ccccc1Cc1c2nccc1 | 15771415 | |||
| CHEMBL654 | 2540 | 102 | None | -38 | 18 | Human | 7.4 | pKi | = | 7.4 | Binding | Guide to Pharmacology | 265 | 0 | 0 | 3 | 2.5 | CN1CCN2C(C1)c1ccccc1Cc1c2nccc1 | 35224877 | |||
| DB00370 | 2540 | 102 | None | -38 | 18 | Human | 7.4 | pKi | = | 7.4 | Binding | Guide to Pharmacology | 265 | 0 | 0 | 3 | 2.5 | CN1CCN2C(C1)c1ccccc1Cc1c2nccc1 | 15771415 | |||
| DB00370 | 2540 | 102 | None | -38 | 18 | Human | 7.4 | pKi | = | 7.4 | Binding | Guide to Pharmacology | 265 | 0 | 0 | 3 | 2.5 | CN1CCN2C(C1)c1ccccc1Cc1c2nccc1 | 35224877 | |||
| 2695 | 3841 | 81 | None | -30 | 6 | Human | 5.4 | pKi | = | 5.4 | Binding | Guide to Pharmacology | 160 | 2 | 1 | 2 | 1.2 | c1ccc(cc1)CC1=NCCN1 | 9605427 | |||
| 5504 | 3841 | 81 | None | -30 | 6 | Human | 5.4 | pKi | = | 5.4 | Binding | Guide to Pharmacology | 160 | 2 | 1 | 2 | 1.2 | c1ccc(cc1)CC1=NCCN1 | 9605427 | |||
| 7310 | 3841 | 81 | None | -30 | 6 | Human | 5.4 | pKi | = | 5.4 | Binding | Guide to Pharmacology | 160 | 2 | 1 | 2 | 1.2 | c1ccc(cc1)CC1=NCCN1 | 9605427 | |||
| CHEMBL770 | 3841 | 81 | None | -30 | 6 | Human | 5.4 | pKi | = | 5.4 | Binding | Guide to Pharmacology | 160 | 2 | 1 | 2 | 1.2 | c1ccc(cc1)CC1=NCCN1 | 9605427 | |||
| DB00797 | 3841 | 81 | None | -30 | 6 | Human | 5.4 | pKi | = | 5.4 | Binding | Guide to Pharmacology | 160 | 2 | 1 | 2 | 1.2 | c1ccc(cc1)CC1=NCCN1 | 9605427 | |||
| 13129 | 2966 | 0 | None | - | 1 | Human | 10.6 | pKi | = | 10.6 | Binding | Guide to Pharmacology | 285 | 2 | 0 | 3 | 3.8 | C[C@@]1(CCCN2[C@@H]1C3=C(CC2)C4=CC=CC=C4O3)COC | 33296042 | |||
| 71301276 | 2966 | 0 | None | - | 1 | Human | 10.6 | pKi | = | 10.6 | Binding | Guide to Pharmacology | 285 | 2 | 0 | 3 | 3.8 | C[C@@]1(CCCN2[C@@H]1C3=C(CC2)C4=CC=CC=C4O3)COC | 33296042 | |||
| CHEMBL4297312 | 2966 | 0 | None | - | 1 | Human | 10.6 | pKi | = | 10.6 | Binding | Guide to Pharmacology | 285 | 2 | 0 | 3 | 3.8 | C[C@@]1(CCCN2[C@@H]1C3=C(CC2)C4=CC=CC=C4O3)COC | 33296042 | |||
| DB12057 | 2966 | 0 | None | - | 1 | Human | 10.6 | pKi | = | 10.6 | Binding | Guide to Pharmacology | 285 | 2 | 0 | 3 | 3.8 | C[C@@]1(CCCN2[C@@H]1C3=C(CC2)C4=CC=CC=C4O3)COC | 33296042 | |||
| 12574 | 2605 | 88 | None | -87 | 6 | Human | 4.8 | pKi | = | 4.8 | Binding | Guide to Pharmacology | 241 | 2 | 2 | 6 | 0.8 | CC1=NC(=C(C(=N1)Cl)NC2=NCCN2)OC | 36101495 | |||
| 4810 | 2605 | 88 | None | -87 | 6 | Human | 4.8 | pKi | = | 4.8 | Binding | Guide to Pharmacology | 241 | 2 | 2 | 6 | 0.8 | CC1=NC(=C(C(=N1)Cl)NC2=NCCN2)OC | 36101495 | |||
| CHEMBL19236 | 2605 | 88 | None | -87 | 6 | Human | 4.8 | pKi | = | 4.8 | Binding | Guide to Pharmacology | 241 | 2 | 2 | 6 | 0.8 | CC1=NC(=C(C(=N1)Cl)NC2=NCCN2)OC | 36101495 | |||
| DB09242 | 2605 | 88 | None | -87 | 6 | Human | 4.8 | pKi | = | 4.8 | Binding | Guide to Pharmacology | 241 | 2 | 2 | 6 | 0.8 | CC1=NC(=C(C(=N1)Cl)NC2=NCCN2)OC | 36101495 | |||
| 523 | 4106 | 93 | None | -2 | 5 | Human | 5.4 | pKi | = | 5.4 | Binding | Guide to Pharmacology | 220 | 1 | 1 | 3 | 3.2 | Cc1cccc(c1NC1=NCCCS1)C | 36101495 | |||
| 523 | 4106 | 93 | None | -2 | 5 | Human | 5.4 | pKi | = | 5.4 | Binding | Guide to Pharmacology | 220 | 1 | 1 | 3 | 3.2 | Cc1cccc(c1NC1=NCCCS1)C | 9605427 | |||
| 5707 | 4106 | 93 | None | -2 | 5 | Human | 5.4 | pKi | = | 5.4 | Binding | Guide to Pharmacology | 220 | 1 | 1 | 3 | 3.2 | Cc1cccc(c1NC1=NCCCS1)C | 36101495 | |||
| 5707 | 4106 | 93 | None | -2 | 5 | Human | 5.4 | pKi | = | 5.4 | Binding | Guide to Pharmacology | 220 | 1 | 1 | 3 | 3.2 | Cc1cccc(c1NC1=NCCCS1)C | 9605427 | |||
| CHEMBL297362 | 4106 | 93 | None | -2 | 5 | Human | 5.4 | pKi | = | 5.4 | Binding | Guide to Pharmacology | 220 | 1 | 1 | 3 | 3.2 | Cc1cccc(c1NC1=NCCCS1)C | 36101495 | |||
| CHEMBL297362 | 4106 | 93 | None | -2 | 5 | Human | 5.4 | pKi | = | 5.4 | Binding | Guide to Pharmacology | 220 | 1 | 1 | 3 | 3.2 | Cc1cccc(c1NC1=NCCCS1)C | 9605427 | |||
| DB11477 | 4106 | 93 | None | -2 | 5 | Human | 5.4 | pKi | = | 5.4 | Binding | Guide to Pharmacology | 220 | 1 | 1 | 3 | 3.2 | Cc1cccc(c1NC1=NCCCS1)C | 36101495 | |||
| DB11477 | 4106 | 93 | None | -2 | 5 | Human | 5.4 | pKi | = | 5.4 | Binding | Guide to Pharmacology | 220 | 1 | 1 | 3 | 3.2 | Cc1cccc(c1NC1=NCCCS1)C | 9605427 | |||
| 1028 | 291 | 71 | None | -67 | 30 | Human | 5.4 | pKi | = | 5.4 | Binding | Guide to Pharmacology | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 36101495 | |||
| 1028 | 291 | 71 | None | -67 | 30 | Human | 5.4 | pKi | = | 5.4 | Binding | Guide to Pharmacology | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 9605427 | |||
| 139148732 | 291 | 71 | None | -67 | 30 | Human | 5.4 | pKi | = | 5.4 | Binding | Guide to Pharmacology | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 36101495 | |||
| 139148732 | 291 | 71 | None | -67 | 30 | Human | 5.4 | pKi | = | 5.4 | Binding | Guide to Pharmacology | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 9605427 | |||
| 479 | 291 | 71 | None | -67 | 30 | Human | 5.4 | pKi | = | 5.4 | Binding | Guide to Pharmacology | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 36101495 | |||
| 479 | 291 | 71 | None | -67 | 30 | Human | 5.4 | pKi | = | 5.4 | Binding | Guide to Pharmacology | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 9605427 | |||
| 5816 | 291 | 71 | None | -67 | 30 | Human | 5.4 | pKi | = | 5.4 | Binding | Guide to Pharmacology | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 36101495 | |||
| 5816 | 291 | 71 | None | -67 | 30 | Human | 5.4 | pKi | = | 5.4 | Binding | Guide to Pharmacology | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 9605427 | |||
| CHEMBL679 | 291 | 71 | None | -67 | 30 | Human | 5.4 | pKi | = | 5.4 | Binding | Guide to Pharmacology | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 36101495 | |||
| CHEMBL679 | 291 | 71 | None | -67 | 30 | Human | 5.4 | pKi | = | 5.4 | Binding | Guide to Pharmacology | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 9605427 | |||
| DB00668 | 291 | 71 | None | -67 | 30 | Human | 5.4 | pKi | = | 5.4 | Binding | Guide to Pharmacology | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 36101495 | |||
| DB00668 | 291 | 71 | None | -67 | 30 | Human | 5.4 | pKi | = | 5.4 | Binding | Guide to Pharmacology | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 9605427 | |||
| 1960 | 2857 | 67 | None | -20 | 26 | Human | 5.7 | pKi | = | 5.7 | Binding | Guide to Pharmacology | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 25080296 | |||
| 1960 | 2857 | 67 | None | -20 | 26 | Human | 5.7 | pKi | = | 5.7 | Binding | Guide to Pharmacology | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 36101495 | |||
| 1960 | 2857 | 67 | None | -20 | 26 | Human | 5.7 | pKi | = | 5.7 | Binding | Guide to Pharmacology | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 9605427 | |||
| 1960 | 2857 | 67 | None | -20 | 26 | Human | 5.7 | pKi | = | 5.7 | Binding | Guide to Pharmacology | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 9824686 | |||
| 439260 | 2857 | 67 | None | -20 | 26 | Human | 5.7 | pKi | = | 5.7 | Binding | Guide to Pharmacology | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 25080296 | |||
| 439260 | 2857 | 67 | None | -20 | 26 | Human | 5.7 | pKi | = | 5.7 | Binding | Guide to Pharmacology | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 36101495 | |||
| 439260 | 2857 | 67 | None | -20 | 26 | Human | 5.7 | pKi | = | 5.7 | Binding | Guide to Pharmacology | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 9605427 | |||
| 439260 | 2857 | 67 | None | -20 | 26 | Human | 5.7 | pKi | = | 5.7 | Binding | Guide to Pharmacology | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 9824686 | |||
| 505 | 2857 | 67 | None | -20 | 26 | Human | 5.7 | pKi | = | 5.7 | Binding | Guide to Pharmacology | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 25080296 | |||
| 505 | 2857 | 67 | None | -20 | 26 | Human | 5.7 | pKi | = | 5.7 | Binding | Guide to Pharmacology | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 36101495 | |||
| 505 | 2857 | 67 | None | -20 | 26 | Human | 5.7 | pKi | = | 5.7 | Binding | Guide to Pharmacology | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 9605427 | |||
| 505 | 2857 | 67 | None | -20 | 26 | Human | 5.7 | pKi | = | 5.7 | Binding | Guide to Pharmacology | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 9824686 | |||
| CHEMBL1437 | 2857 | 67 | None | -20 | 26 | Human | 5.7 | pKi | = | 5.7 | Binding | Guide to Pharmacology | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 25080296 | |||
| CHEMBL1437 | 2857 | 67 | None | -20 | 26 | Human | 5.7 | pKi | = | 5.7 | Binding | Guide to Pharmacology | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 36101495 | |||
| CHEMBL1437 | 2857 | 67 | None | -20 | 26 | Human | 5.7 | pKi | = | 5.7 | Binding | Guide to Pharmacology | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 9605427 | |||
| CHEMBL1437 | 2857 | 67 | None | -20 | 26 | Human | 5.7 | pKi | = | 5.7 | Binding | Guide to Pharmacology | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 9824686 | |||
| DB00368 | 2857 | 67 | None | -20 | 26 | Human | 5.7 | pKi | = | 5.7 | Binding | Guide to Pharmacology | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 25080296 | |||
| DB00368 | 2857 | 67 | None | -20 | 26 | Human | 5.7 | pKi | = | 5.7 | Binding | Guide to Pharmacology | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 36101495 | |||
| DB00368 | 2857 | 67 | None | -20 | 26 | Human | 5.7 | pKi | = | 5.7 | Binding | Guide to Pharmacology | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 9605427 | |||
| DB00368 | 2857 | 67 | None | -20 | 26 | Human | 5.7 | pKi | = | 5.7 | Binding | Guide to Pharmacology | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 9824686 | |||
| 1343 | 1889 | 62 | None | -251 | 9 | Human | 5.8 | pKi | = | 5.8 | Binding | Guide to Pharmacology | 245 | 2 | 2 | 1 | 1.3 | O=C(Cc1c(Cl)cccc1Cl)N=C(N)N | 36101495 | |||
| 1343 | 1889 | 62 | None | -251 | 9 | Human | 5.8 | pKi | = | 5.8 | Binding | Guide to Pharmacology | 245 | 2 | 2 | 1 | 1.3 | O=C(Cc1c(Cl)cccc1Cl)N=C(N)N | 9605427 | |||
| 3519 | 1889 | 62 | None | -251 | 9 | Human | 5.8 | pKi | = | 5.8 | Binding | Guide to Pharmacology | 245 | 2 | 2 | 1 | 1.3 | O=C(Cc1c(Cl)cccc1Cl)N=C(N)N | 36101495 | |||
| 3519 | 1889 | 62 | None | -251 | 9 | Human | 5.8 | pKi | = | 5.8 | Binding | Guide to Pharmacology | 245 | 2 | 2 | 1 | 1.3 | O=C(Cc1c(Cl)cccc1Cl)N=C(N)N | 9605427 | |||
| 522 | 1889 | 62 | None | -251 | 9 | Human | 5.8 | pKi | = | 5.8 | Binding | Guide to Pharmacology | 245 | 2 | 2 | 1 | 1.3 | O=C(Cc1c(Cl)cccc1Cl)N=C(N)N | 36101495 | |||
| 522 | 1889 | 62 | None | -251 | 9 | Human | 5.8 | pKi | = | 5.8 | Binding | Guide to Pharmacology | 245 | 2 | 2 | 1 | 1.3 | O=C(Cc1c(Cl)cccc1Cl)N=C(N)N | 9605427 | |||
| CHEMBL862 | 1889 | 62 | None | -251 | 9 | Human | 5.8 | pKi | = | 5.8 | Binding | Guide to Pharmacology | 245 | 2 | 2 | 1 | 1.3 | O=C(Cc1c(Cl)cccc1Cl)N=C(N)N | 36101495 | |||
| CHEMBL862 | 1889 | 62 | None | -251 | 9 | Human | 5.8 | pKi | = | 5.8 | Binding | Guide to Pharmacology | 245 | 2 | 2 | 1 | 1.3 | O=C(Cc1c(Cl)cccc1Cl)N=C(N)N | 9605427 | |||
| DB01018 | 1889 | 62 | None | -251 | 9 | Human | 5.8 | pKi | = | 5.8 | Binding | Guide to Pharmacology | 245 | 2 | 2 | 1 | 1.3 | O=C(Cc1c(Cl)cccc1Cl)N=C(N)N | 36101495 | |||
| DB01018 | 1889 | 62 | None | -251 | 9 | Human | 5.8 | pKi | = | 5.8 | Binding | Guide to Pharmacology | 245 | 2 | 2 | 1 | 1.3 | O=C(Cc1c(Cl)cccc1Cl)N=C(N)N | 9605427 | |||
| 4508 | 3139 | 98 | None | -199 | 12 | Human | 6.0 | pKi | = | 6 | Binding | Guide to Pharmacology | 183 | 3 | 4 | 4 | 0.4 | CNCC(c1ccc(c(c1)O)O)O | 9605427 | |||
| 4866774 | 3139 | 98 | None | -199 | 12 | Human | 6.0 | pKi | = | 6 | Binding | Guide to Pharmacology | 183 | 3 | 4 | 4 | 0.4 | CNCC(c1ccc(c(c1)O)O)O | 9605427 | |||
| 509 | 3139 | 98 | None | -199 | 12 | Human | 6.0 | pKi | = | 6 | Binding | Guide to Pharmacology | 183 | 3 | 4 | 4 | 0.4 | CNCC(c1ccc(c(c1)O)O)O | 9605427 | |||
| 838 | 3139 | 98 | None | -199 | 12 | Human | 6.0 | pKi | = | 6 | Binding | Guide to Pharmacology | 183 | 3 | 4 | 4 | 0.4 | CNCC(c1ccc(c(c1)O)O)O | 9605427 | |||
| CHEMBL1740 | 3139 | 98 | None | -199 | 12 | Human | 6.0 | pKi | = | 6 | Binding | Guide to Pharmacology | 183 | 3 | 4 | 4 | 0.4 | CNCC(c1ccc(c(c1)O)O)O | 9605427 | |||
| 11079 | 2733 | 63 | None | -2 | 5 | Human | 6.4 | pKi | = | 6.4 | Binding | Guide to Pharmacology | 210 | 2 | 1 | 2 | 2.4 | C1CN=C(N1)Cc1cccc2c1cccc2 | 36101495 | |||
| 3369 | 2733 | 63 | None | -2 | 5 | Human | 6.4 | pKi | = | 6.4 | Binding | Guide to Pharmacology | 210 | 2 | 1 | 2 | 2.4 | C1CN=C(N1)Cc1cccc2c1cccc2 | 36101495 | |||
| 4436 | 2733 | 63 | None | -2 | 5 | Human | 6.4 | pKi | = | 6.4 | Binding | Guide to Pharmacology | 210 | 2 | 1 | 2 | 2.4 | C1CN=C(N1)Cc1cccc2c1cccc2 | 36101495 | |||
| 5509 | 2733 | 63 | None | -2 | 5 | Human | 6.4 | pKi | = | 6.4 | Binding | Guide to Pharmacology | 210 | 2 | 1 | 2 | 2.4 | C1CN=C(N1)Cc1cccc2c1cccc2 | 36101495 | |||
| CHEMBL761 | 2733 | 63 | None | -2 | 5 | Human | 6.4 | pKi | = | 6.4 | Binding | Guide to Pharmacology | 210 | 2 | 1 | 2 | 2.4 | C1CN=C(N1)Cc1cccc2c1cccc2 | 36101495 | |||
| DB06711 | 2733 | 63 | None | -2 | 5 | Human | 6.4 | pKi | = | 6.4 | Binding | Guide to Pharmacology | 210 | 2 | 1 | 2 | 2.4 | C1CN=C(N1)Cc1cccc2c1cccc2 | 36101495 | |||
| 121850 | 726 | 0 | None | -41 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | Guide to Pharmacology | 215 | 2 | 1 | 3 | 1.6 | CC1N(CC2=NCCN2)Cc2c1cccc2 | 35224877 | |||
| 121850 | 726 | 0 | None | -41 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | Guide to Pharmacology | 215 | 2 | 1 | 3 | 1.6 | CC1N(CC2=NCCN2)Cc2c1cccc2 | 7996470 | |||
| 525 | 726 | 0 | None | -41 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | Guide to Pharmacology | 215 | 2 | 1 | 3 | 1.6 | CC1N(CC2=NCCN2)Cc2c1cccc2 | 35224877 | |||
| 525 | 726 | 0 | None | -41 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | Guide to Pharmacology | 215 | 2 | 1 | 3 | 1.6 | CC1N(CC2=NCCN2)Cc2c1cccc2 | 7996470 | |||
| CHEMBL216097 | 726 | 0 | None | -41 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | Guide to Pharmacology | 215 | 2 | 1 | 3 | 1.6 | CC1N(CC2=NCCN2)Cc2c1cccc2 | 35224877 | |||
| CHEMBL216097 | 726 | 0 | None | -41 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | Guide to Pharmacology | 215 | 2 | 1 | 3 | 1.6 | CC1N(CC2=NCCN2)Cc2c1cccc2 | 7996470 | |||
| 124 | 2981 | 47 | None | -60 | 33 | Human | 6.6 | pKi | = | 6.6 | Binding | Guide to Pharmacology | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | 25080296 | |||
| 124 | 2981 | 47 | None | -60 | 33 | Human | 6.6 | pKi | = | 6.6 | Binding | Guide to Pharmacology | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | 36101495 | |||
| 124 | 2981 | 47 | None | -60 | 33 | Human | 6.6 | pKi | = | 6.6 | Binding | Guide to Pharmacology | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | 7996470 | |||
| 124 | 2981 | 47 | None | -60 | 33 | Human | 6.6 | pKi | = | 6.6 | Binding | Guide to Pharmacology | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | 9605427 | |||
| 2032 | 2981 | 47 | None | -60 | 33 | Human | 6.6 | pKi | = | 6.6 | Binding | Guide to Pharmacology | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | 25080296 | |||
| 2032 | 2981 | 47 | None | -60 | 33 | Human | 6.6 | pKi | = | 6.6 | Binding | Guide to Pharmacology | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | 36101495 | |||
| 2032 | 2981 | 47 | None | -60 | 33 | Human | 6.6 | pKi | = | 6.6 | Binding | Guide to Pharmacology | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | 7996470 | |||
| 2032 | 2981 | 47 | None | -60 | 33 | Human | 6.6 | pKi | = | 6.6 | Binding | Guide to Pharmacology | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | 9605427 | |||
| 4636 | 2981 | 47 | None | -60 | 33 | Human | 6.6 | pKi | = | 6.6 | Binding | Guide to Pharmacology | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | 25080296 | |||
| 4636 | 2981 | 47 | None | -60 | 33 | Human | 6.6 | pKi | = | 6.6 | Binding | Guide to Pharmacology | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | 36101495 | |||
| 4636 | 2981 | 47 | None | -60 | 33 | Human | 6.6 | pKi | = | 6.6 | Binding | Guide to Pharmacology | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | 7996470 | |||
| 4636 | 2981 | 47 | None | -60 | 33 | Human | 6.6 | pKi | = | 6.6 | Binding | Guide to Pharmacology | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | 9605427 | |||
| CHEMBL762 | 2981 | 47 | None | -60 | 33 | Human | 6.6 | pKi | = | 6.6 | Binding | Guide to Pharmacology | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | 25080296 | |||
| CHEMBL762 | 2981 | 47 | None | -60 | 33 | Human | 6.6 | pKi | = | 6.6 | Binding | Guide to Pharmacology | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | 36101495 | |||
| CHEMBL762 | 2981 | 47 | None | -60 | 33 | Human | 6.6 | pKi | = | 6.6 | Binding | Guide to Pharmacology | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | 7996470 | |||
| CHEMBL762 | 2981 | 47 | None | -60 | 33 | Human | 6.6 | pKi | = | 6.6 | Binding | Guide to Pharmacology | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | 9605427 | |||
| DB00935 | 2981 | 47 | None | -60 | 33 | Human | 6.6 | pKi | = | 6.6 | Binding | Guide to Pharmacology | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | 25080296 | |||
| DB00935 | 2981 | 47 | None | -60 | 33 | Human | 6.6 | pKi | = | 6.6 | Binding | Guide to Pharmacology | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | 36101495 | |||
| DB00935 | 2981 | 47 | None | -60 | 33 | Human | 6.6 | pKi | = | 6.6 | Binding | Guide to Pharmacology | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | 7996470 | |||
| DB00935 | 2981 | 47 | None | -60 | 33 | Human | 6.6 | pKi | = | 6.6 | Binding | Guide to Pharmacology | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | 9605427 | |||
| 2435 | 722 | 100 | None | -33 | 12 | Human | 6.7 | pKi | = | 6.7 | Binding | Guide to Pharmacology | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | 36101495 | |||
| 2435 | 722 | 100 | None | -33 | 12 | Human | 6.7 | pKi | = | 6.7 | Binding | Guide to Pharmacology | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | 9227000 | |||
| 2435 | 722 | 100 | None | -33 | 12 | Human | 6.7 | pKi | = | 6.7 | Binding | Guide to Pharmacology | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | 9605427 | |||
| 2435 | 722 | 100 | None | -33 | 12 | Human | 6.7 | pKi | = | 6.7 | Binding | Guide to Pharmacology | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | 9760042 | |||
| 2435 | 722 | 100 | None | -33 | 12 | Human | 6.7 | pKi | = | 6.7 | Binding | Guide to Pharmacology | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | 9824686 | |||
| 395 | 722 | 100 | None | -33 | 12 | Human | 6.7 | pKi | = | 6.7 | Binding | Guide to Pharmacology | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | 36101495 | |||
| 395 | 722 | 100 | None | -33 | 12 | Human | 6.7 | pKi | = | 6.7 | Binding | Guide to Pharmacology | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | 9227000 | |||
| 395 | 722 | 100 | None | -33 | 12 | Human | 6.7 | pKi | = | 6.7 | Binding | Guide to Pharmacology | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | 9605427 | |||
| 395 | 722 | 100 | None | -33 | 12 | Human | 6.7 | pKi | = | 6.7 | Binding | Guide to Pharmacology | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | 9760042 | |||
| 395 | 722 | 100 | None | -33 | 12 | Human | 6.7 | pKi | = | 6.7 | Binding | Guide to Pharmacology | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | 9824686 | |||
| 520 | 722 | 100 | None | -33 | 12 | Human | 6.7 | pKi | = | 6.7 | Binding | Guide to Pharmacology | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | 36101495 | |||
| 520 | 722 | 100 | None | -33 | 12 | Human | 6.7 | pKi | = | 6.7 | Binding | Guide to Pharmacology | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | 9227000 | |||
| 520 | 722 | 100 | None | -33 | 12 | Human | 6.7 | pKi | = | 6.7 | Binding | Guide to Pharmacology | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | 9605427 | |||
| 520 | 722 | 100 | None | -33 | 12 | Human | 6.7 | pKi | = | 6.7 | Binding | Guide to Pharmacology | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | 9760042 | |||
| 520 | 722 | 100 | None | -33 | 12 | Human | 6.7 | pKi | = | 6.7 | Binding | Guide to Pharmacology | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | 9824686 | |||
| 5386 | 722 | 100 | None | -33 | 12 | Human | 6.7 | pKi | = | 6.7 | Binding | Guide to Pharmacology | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | 36101495 | |||
| 5386 | 722 | 100 | None | -33 | 12 | Human | 6.7 | pKi | = | 6.7 | Binding | Guide to Pharmacology | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | 9227000 | |||
| 5386 | 722 | 100 | None | -33 | 12 | Human | 6.7 | pKi | = | 6.7 | Binding | Guide to Pharmacology | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | 9605427 | |||
| 5386 | 722 | 100 | None | -33 | 12 | Human | 6.7 | pKi | = | 6.7 | Binding | Guide to Pharmacology | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | 9760042 | |||
| 5386 | 722 | 100 | None | -33 | 12 | Human | 6.7 | pKi | = | 6.7 | Binding | Guide to Pharmacology | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | 9824686 | |||
| CHEMBL844 | 722 | 100 | None | -33 | 12 | Human | 6.7 | pKi | = | 6.7 | Binding | Guide to Pharmacology | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | 36101495 | |||
| CHEMBL844 | 722 | 100 | None | -33 | 12 | Human | 6.7 | pKi | = | 6.7 | Binding | Guide to Pharmacology | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | 9227000 | |||
| CHEMBL844 | 722 | 100 | None | -33 | 12 | Human | 6.7 | pKi | = | 6.7 | Binding | Guide to Pharmacology | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | 9605427 | |||
| CHEMBL844 | 722 | 100 | None | -33 | 12 | Human | 6.7 | pKi | = | 6.7 | Binding | Guide to Pharmacology | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | 9760042 | |||
| CHEMBL844 | 722 | 100 | None | -33 | 12 | Human | 6.7 | pKi | = | 6.7 | Binding | Guide to Pharmacology | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | 9824686 | |||
| DB00484 | 722 | 100 | None | -33 | 12 | Human | 6.7 | pKi | = | 6.7 | Binding | Guide to Pharmacology | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | 36101495 | |||
| DB00484 | 722 | 100 | None | -33 | 12 | Human | 6.7 | pKi | = | 6.7 | Binding | Guide to Pharmacology | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | 9227000 | |||
| DB00484 | 722 | 100 | None | -33 | 12 | Human | 6.7 | pKi | = | 6.7 | Binding | Guide to Pharmacology | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | 9605427 | |||
| DB00484 | 722 | 100 | None | -33 | 12 | Human | 6.7 | pKi | = | 6.7 | Binding | Guide to Pharmacology | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | 9760042 | |||
| DB00484 | 722 | 100 | None | -33 | 12 | Human | 6.7 | pKi | = | 6.7 | Binding | Guide to Pharmacology | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | 9824686 | |||
| 2726 | 919 | 68 | None | -31 | 72 | Human | 6.7 | pKi | = | 6.7 | Binding | Guide to Pharmacology | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | 1353247 | |||
| 2726 | 919 | 68 | None | -31 | 72 | Human | 6.7 | pKi | = | 6.7 | Binding | Guide to Pharmacology | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | 35224877 | |||
| 2726 | 919 | 68 | None | -31 | 72 | Human | 6.7 | pKi | = | 6.7 | Binding | Guide to Pharmacology | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | 7908642 | |||
| 621 | 919 | 68 | None | -31 | 72 | Human | 6.7 | pKi | = | 6.7 | Binding | Guide to Pharmacology | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | 1353247 | |||
| 621 | 919 | 68 | None | -31 | 72 | Human | 6.7 | pKi | = | 6.7 | Binding | Guide to Pharmacology | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | 35224877 | |||
| 621 | 919 | 68 | None | -31 | 72 | Human | 6.7 | pKi | = | 6.7 | Binding | Guide to Pharmacology | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | 7908642 | |||
| 83 | 919 | 68 | None | -31 | 72 | Human | 6.7 | pKi | = | 6.7 | Binding | Guide to Pharmacology | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | 1353247 | |||
| 83 | 919 | 68 | None | -31 | 72 | Human | 6.7 | pKi | = | 6.7 | Binding | Guide to Pharmacology | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | 35224877 | |||
| 83 | 919 | 68 | None | -31 | 72 | Human | 6.7 | pKi | = | 6.7 | Binding | Guide to Pharmacology | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | 7908642 | |||
| CHEMBL71 | 919 | 68 | None | -31 | 72 | Human | 6.7 | pKi | = | 6.7 | Binding | Guide to Pharmacology | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | 1353247 | |||
| CHEMBL71 | 919 | 68 | None | -31 | 72 | Human | 6.7 | pKi | = | 6.7 | Binding | Guide to Pharmacology | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | 35224877 | |||
| CHEMBL71 | 919 | 68 | None | -31 | 72 | Human | 6.7 | pKi | = | 6.7 | Binding | Guide to Pharmacology | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | 7908642 | |||
| DB00477 | 919 | 68 | None | -31 | 72 | Human | 6.7 | pKi | = | 6.7 | Binding | Guide to Pharmacology | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | 1353247 | |||
| DB00477 | 919 | 68 | None | -31 | 72 | Human | 6.7 | pKi | = | 6.7 | Binding | Guide to Pharmacology | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | 35224877 | |||
| DB00477 | 919 | 68 | None | -31 | 72 | Human | 6.7 | pKi | = | 6.7 | Binding | Guide to Pharmacology | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | 7908642 | |||
| 2803 | 955 | 58 | None | -4 | 19 | Human | 6.9 | pKi | = | 6.9 | Binding | Guide to Pharmacology | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | 36101495 | |||
| 2803 | 955 | 58 | None | -4 | 19 | Human | 6.9 | pKi | = | 6.9 | Binding | Guide to Pharmacology | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | 9605427 | |||
| 2803 | 955 | 58 | None | -4 | 19 | Human | 6.9 | pKi | = | 6.9 | Binding | Guide to Pharmacology | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | 9760042 | |||
| 2803 | 955 | 58 | None | -4 | 19 | Human | 6.9 | pKi | = | 6.9 | Binding | Guide to Pharmacology | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | 9824686 | |||
| 516 | 955 | 58 | None | -4 | 19 | Human | 6.9 | pKi | = | 6.9 | Binding | Guide to Pharmacology | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | 36101495 | |||
| 516 | 955 | 58 | None | -4 | 19 | Human | 6.9 | pKi | = | 6.9 | Binding | Guide to Pharmacology | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | 9605427 | |||
| 516 | 955 | 58 | None | -4 | 19 | Human | 6.9 | pKi | = | 6.9 | Binding | Guide to Pharmacology | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | 9760042 | |||
| 516 | 955 | 58 | None | -4 | 19 | Human | 6.9 | pKi | = | 6.9 | Binding | Guide to Pharmacology | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | 9824686 | |||
| 704 | 955 | 58 | None | -4 | 19 | Human | 6.9 | pKi | = | 6.9 | Binding | Guide to Pharmacology | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | 36101495 | |||
| 704 | 955 | 58 | None | -4 | 19 | Human | 6.9 | pKi | = | 6.9 | Binding | Guide to Pharmacology | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | 9605427 | |||
| 704 | 955 | 58 | None | -4 | 19 | Human | 6.9 | pKi | = | 6.9 | Binding | Guide to Pharmacology | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | 9760042 | |||
| 704 | 955 | 58 | None | -4 | 19 | Human | 6.9 | pKi | = | 6.9 | Binding | Guide to Pharmacology | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | 9824686 | |||
| CHEMBL134 | 955 | 58 | None | -4 | 19 | Human | 6.9 | pKi | = | 6.9 | Binding | Guide to Pharmacology | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | 36101495 | |||
| CHEMBL134 | 955 | 58 | None | -4 | 19 | Human | 6.9 | pKi | = | 6.9 | Binding | Guide to Pharmacology | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | 9605427 | |||
| CHEMBL134 | 955 | 58 | None | -4 | 19 | Human | 6.9 | pKi | = | 6.9 | Binding | Guide to Pharmacology | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | 9760042 | |||
| CHEMBL134 | 955 | 58 | None | -4 | 19 | Human | 6.9 | pKi | = | 6.9 | Binding | Guide to Pharmacology | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | 9824686 | |||
| DB00575 | 955 | 58 | None | -4 | 19 | Human | 6.9 | pKi | = | 6.9 | Binding | Guide to Pharmacology | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | 36101495 | |||
| DB00575 | 955 | 58 | None | -4 | 19 | Human | 6.9 | pKi | = | 6.9 | Binding | Guide to Pharmacology | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | 9605427 | |||
| DB00575 | 955 | 58 | None | -4 | 19 | Human | 6.9 | pKi | = | 6.9 | Binding | Guide to Pharmacology | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | 9760042 | |||
| DB00575 | 955 | 58 | None | -4 | 19 | Human | 6.9 | pKi | = | 6.9 | Binding | Guide to Pharmacology | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | 9824686 | |||
| 3658 | 4107 | 53 | None | -17 | 8 | Human | 7.0 | pKi | = | 7 | Binding | Guide to Pharmacology | 244 | 2 | 1 | 2 | 3.1 | Cc1cc(cc(c1CC1=NCCN1)C)C(C)(C)C | 36101495 | |||
| 517 | 4107 | 53 | None | -17 | 8 | Human | 7.0 | pKi | = | 7 | Binding | Guide to Pharmacology | 244 | 2 | 1 | 2 | 3.1 | Cc1cc(cc(c1CC1=NCCN1)C)C(C)(C)C | 36101495 | |||
| 5709 | 4107 | 53 | None | -17 | 8 | Human | 7.0 | pKi | = | 7 | Binding | Guide to Pharmacology | 244 | 2 | 1 | 2 | 3.1 | Cc1cc(cc(c1CC1=NCCN1)C)C(C)(C)C | 36101495 | |||
| CHEMBL312448 | 4107 | 53 | None | -17 | 8 | Human | 7.0 | pKi | = | 7 | Binding | Guide to Pharmacology | 244 | 2 | 1 | 2 | 3.1 | Cc1cc(cc(c1CC1=NCCN1)C)C(C)(C)C | 36101495 | |||
| DB06694 | 4107 | 53 | None | -17 | 8 | Human | 7.0 | pKi | = | 7 | Binding | Guide to Pharmacology | 244 | 2 | 1 | 2 | 3.1 | Cc1cc(cc(c1CC1=NCCN1)C)C(C)(C)C | 36101495 | |||
| 12575 | 1988 | 30 | None | -8 | 17 | Human | 7.2 | pKi | = | 7.2 | Binding | Guide to Pharmacology | 204 | 1 | 1 | 4 | 0.8 | C1CN=C(N1)C2COC3=CC=CC=C3O2 | 35224877 | |||
| 54459 | 1988 | 30 | None | -8 | 17 | Human | 7.2 | pKi | = | 7.2 | Binding | Guide to Pharmacology | 204 | 1 | 1 | 4 | 0.8 | C1CN=C(N1)C2COC3=CC=CC=C3O2 | 35224877 | |||
| CHEMBL10316 | 1988 | 30 | None | -8 | 17 | Human | 7.2 | pKi | = | 7.2 | Binding | Guide to Pharmacology | 204 | 1 | 1 | 4 | 0.8 | C1CN=C(N1)C2COC3=CC=CC=C3O2 | 35224877 | |||
| 2105 | 3054 | 37 | None | -81 | 33 | Human | 7.2 | pKi | = | 7.2 | Binding | Guide to Pharmacology | 314 | 4 | 1 | 2 | 4.3 | CCCN1C[C@H](CSC)C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3 | 12388666 | |||
| 47811 | 3054 | 37 | None | -81 | 33 | Human | 7.2 | pKi | = | 7.2 | Binding | Guide to Pharmacology | 314 | 4 | 1 | 2 | 4.3 | CCCN1C[C@H](CSC)C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3 | 12388666 | |||
| 48 | 3054 | 37 | None | -81 | 33 | Human | 7.2 | pKi | = | 7.2 | Binding | Guide to Pharmacology | 314 | 4 | 1 | 2 | 4.3 | CCCN1C[C@H](CSC)C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3 | 12388666 | |||
| CHEMBL531 | 3054 | 37 | None | -81 | 33 | Human | 7.2 | pKi | = | 7.2 | Binding | Guide to Pharmacology | 314 | 4 | 1 | 2 | 4.3 | CCCN1C[C@H](CSC)C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3 | 12388666 | |||
| DB01186 | 3054 | 37 | None | -81 | 33 | Human | 7.2 | pKi | = | 7.2 | Binding | Guide to Pharmacology | 314 | 4 | 1 | 2 | 4.3 | CCCN1C[C@H](CSC)C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3 | 12388666 | |||
| 4209 | 3163 | 75 | None | -181 | 33 | Human | 7.3 | pKi | = | 7.3 | Binding | Guide to Pharmacology | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 1353247 | |||
| 4209 | 3163 | 75 | None | -181 | 33 | Human | 7.3 | pKi | = | 7.3 | Binding | Guide to Pharmacology | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 35224877 | |||
| 4209 | 3163 | 75 | None | -181 | 33 | Human | 7.3 | pKi | = | 7.3 | Binding | Guide to Pharmacology | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 7908642 | |||
| 4209 | 3163 | 75 | None | -181 | 33 | Human | 7.3 | pKi | = | 7.3 | Binding | Guide to Pharmacology | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 7996470 | |||
| 4893 | 3163 | 75 | None | -181 | 33 | Human | 7.3 | pKi | = | 7.3 | Binding | Guide to Pharmacology | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 1353247 | |||
| 4893 | 3163 | 75 | None | -181 | 33 | Human | 7.3 | pKi | = | 7.3 | Binding | Guide to Pharmacology | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 35224877 | |||
| 4893 | 3163 | 75 | None | -181 | 33 | Human | 7.3 | pKi | = | 7.3 | Binding | Guide to Pharmacology | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 7908642 | |||
| 4893 | 3163 | 75 | None | -181 | 33 | Human | 7.3 | pKi | = | 7.3 | Binding | Guide to Pharmacology | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 7996470 | |||
| 503 | 3163 | 75 | None | -181 | 33 | Human | 7.3 | pKi | = | 7.3 | Binding | Guide to Pharmacology | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 1353247 | |||
| 503 | 3163 | 75 | None | -181 | 33 | Human | 7.3 | pKi | = | 7.3 | Binding | Guide to Pharmacology | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 35224877 | |||
| 503 | 3163 | 75 | None | -181 | 33 | Human | 7.3 | pKi | = | 7.3 | Binding | Guide to Pharmacology | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 7908642 | |||
| 503 | 3163 | 75 | None | -181 | 33 | Human | 7.3 | pKi | = | 7.3 | Binding | Guide to Pharmacology | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 7996470 | |||
| 5385 | 3163 | 75 | None | -181 | 33 | Human | 7.3 | pKi | = | 7.3 | Binding | Guide to Pharmacology | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 1353247 | |||
| 5385 | 3163 | 75 | None | -181 | 33 | Human | 7.3 | pKi | = | 7.3 | Binding | Guide to Pharmacology | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 35224877 | |||
| 5385 | 3163 | 75 | None | -181 | 33 | Human | 7.3 | pKi | = | 7.3 | Binding | Guide to Pharmacology | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 7908642 | |||
| 5385 | 3163 | 75 | None | -181 | 33 | Human | 7.3 | pKi | = | 7.3 | Binding | Guide to Pharmacology | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 7996470 | |||
| CHEMBL2 | 3163 | 75 | None | -181 | 33 | Human | 7.3 | pKi | = | 7.3 | Binding | Guide to Pharmacology | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 1353247 | |||
| CHEMBL2 | 3163 | 75 | None | -181 | 33 | Human | 7.3 | pKi | = | 7.3 | Binding | Guide to Pharmacology | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 35224877 | |||
| CHEMBL2 | 3163 | 75 | None | -181 | 33 | Human | 7.3 | pKi | = | 7.3 | Binding | Guide to Pharmacology | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 7908642 | |||
| CHEMBL2 | 3163 | 75 | None | -181 | 33 | Human | 7.3 | pKi | = | 7.3 | Binding | Guide to Pharmacology | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 7996470 | |||
| DB00457 | 3163 | 75 | None | -181 | 33 | Human | 7.3 | pKi | = | 7.3 | Binding | Guide to Pharmacology | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 1353247 | |||
| DB00457 | 3163 | 75 | None | -181 | 33 | Human | 7.3 | pKi | = | 7.3 | Binding | Guide to Pharmacology | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 35224877 | |||
| DB00457 | 3163 | 75 | None | -181 | 33 | Human | 7.3 | pKi | = | 7.3 | Binding | Guide to Pharmacology | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 7908642 | |||
| DB00457 | 3163 | 75 | None | -181 | 33 | Human | 7.3 | pKi | = | 7.3 | Binding | Guide to Pharmacology | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 7996470 | |||
| 2216 | 446 | 50 | None | -3 | 6 | Human | 7.5 | pKi | = | 7.5 | Binding | Guide to Pharmacology | 244 | 1 | 3 | 4 | 1.9 | Nc1cc(Cl)c(c(c1)Cl)NC1=NCCN1 | 36101495 | |||
| 2216 | 446 | 50 | None | -3 | 6 | Human | 7.5 | pKi | = | 7.5 | Binding | Guide to Pharmacology | 244 | 1 | 3 | 4 | 1.9 | Nc1cc(Cl)c(c(c1)Cl)NC1=NCCN1 | 8784451 | |||
| 229 | 446 | 50 | None | -3 | 6 | Human | 7.5 | pKi | = | 7.5 | Binding | Guide to Pharmacology | 244 | 1 | 3 | 4 | 1.9 | Nc1cc(Cl)c(c(c1)Cl)NC1=NCCN1 | 36101495 | |||
| 229 | 446 | 50 | None | -3 | 6 | Human | 7.5 | pKi | = | 7.5 | Binding | Guide to Pharmacology | 244 | 1 | 3 | 4 | 1.9 | Nc1cc(Cl)c(c(c1)Cl)NC1=NCCN1 | 8784451 | |||
| 7117 | 446 | 50 | None | -3 | 6 | Human | 7.5 | pKi | = | 7.5 | Binding | Guide to Pharmacology | 244 | 1 | 3 | 4 | 1.9 | Nc1cc(Cl)c(c(c1)Cl)NC1=NCCN1 | 36101495 | |||
| 7117 | 446 | 50 | None | -3 | 6 | Human | 7.5 | pKi | = | 7.5 | Binding | Guide to Pharmacology | 244 | 1 | 3 | 4 | 1.9 | Nc1cc(Cl)c(c(c1)Cl)NC1=NCCN1 | 8784451 | |||
| CHEMBL647 | 446 | 50 | None | -3 | 6 | Human | 7.5 | pKi | = | 7.5 | Binding | Guide to Pharmacology | 244 | 1 | 3 | 4 | 1.9 | Nc1cc(Cl)c(c(c1)Cl)NC1=NCCN1 | 36101495 | |||
| CHEMBL647 | 446 | 50 | None | -3 | 6 | Human | 7.5 | pKi | = | 7.5 | Binding | Guide to Pharmacology | 244 | 1 | 3 | 4 | 1.9 | Nc1cc(Cl)c(c(c1)Cl)NC1=NCCN1 | 8784451 | |||
| DB00964 | 446 | 50 | None | -3 | 6 | Human | 7.5 | pKi | = | 7.5 | Binding | Guide to Pharmacology | 244 | 1 | 3 | 4 | 1.9 | Nc1cc(Cl)c(c(c1)Cl)NC1=NCCN1 | 36101495 | |||
| DB00964 | 446 | 50 | None | -3 | 6 | Human | 7.5 | pKi | = | 7.5 | Binding | Guide to Pharmacology | 244 | 1 | 3 | 4 | 1.9 | Nc1cc(Cl)c(c(c1)Cl)NC1=NCCN1 | 8784451 | |||
| 122211 | 462 | 0 | None | -9 | 6 | Human | 7.6 | pKi | = | 7.6 | Binding | Guide to Pharmacology | 406 | 5 | 0 | 5 | 3.6 | COc1ccccc1N1CCN(CC1)CCC1C(=O)c2ccccc2C(C1=O)(C)C | 1353247 | |||
| 122211 | 462 | 0 | None | -9 | 6 | Human | 7.6 | pKi | = | 7.6 | Binding | Guide to Pharmacology | 406 | 5 | 0 | 5 | 3.6 | COc1ccccc1N1CCN(CC1)CCC1C(=O)c2ccccc2C(C1=O)(C)C | 35224877 | |||
| 122211 | 462 | 0 | None | -9 | 6 | Human | 7.6 | pKi | = | 7.6 | Binding | Guide to Pharmacology | 406 | 5 | 0 | 5 | 3.6 | COc1ccccc1N1CCN(CC1)CCC1C(=O)c2ccccc2C(C1=O)(C)C | 7908642 | |||
| 122211 | 462 | 0 | None | -9 | 6 | Human | 7.6 | pKi | = | 7.6 | Binding | Guide to Pharmacology | 406 | 5 | 0 | 5 | 3.6 | COc1ccccc1N1CCN(CC1)CCC1C(=O)c2ccccc2C(C1=O)(C)C | 7996470 | |||
| 524 | 462 | 0 | None | -9 | 6 | Human | 7.6 | pKi | = | 7.6 | Binding | Guide to Pharmacology | 406 | 5 | 0 | 5 | 3.6 | COc1ccccc1N1CCN(CC1)CCC1C(=O)c2ccccc2C(C1=O)(C)C | 1353247 | |||
| 524 | 462 | 0 | None | -9 | 6 | Human | 7.6 | pKi | = | 7.6 | Binding | Guide to Pharmacology | 406 | 5 | 0 | 5 | 3.6 | COc1ccccc1N1CCN(CC1)CCC1C(=O)c2ccccc2C(C1=O)(C)C | 35224877 | |||
| 524 | 462 | 0 | None | -9 | 6 | Human | 7.6 | pKi | = | 7.6 | Binding | Guide to Pharmacology | 406 | 5 | 0 | 5 | 3.6 | COc1ccccc1N1CCN(CC1)CCC1C(=O)c2ccccc2C(C1=O)(C)C | 7908642 | |||
| 524 | 462 | 0 | None | -9 | 6 | Human | 7.6 | pKi | = | 7.6 | Binding | Guide to Pharmacology | 406 | 5 | 0 | 5 | 3.6 | COc1ccccc1N1CCN(CC1)CCC1C(=O)c2ccccc2C(C1=O)(C)C | 7996470 | |||
| 31101 | 729 | 40 | None | -36 | 36 | Human | 7.6 | pKi | = | 7.6 | Binding | Guide to Pharmacology | 653 | 5 | 3 | 6 | 3.2 | CC(C[C@H]1C(=O)N2CCC[C@H]2[C@]2(N1C(=O)[C@@](O2)(NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c([nH]3)Br)C(C)C)O)C | 12388666 | |||
| 31101 | 729 | 40 | None | -36 | 36 | Human | 7.6 | pKi | = | 7.6 | Binding | Guide to Pharmacology | 653 | 5 | 3 | 6 | 3.2 | CC(C[C@H]1C(=O)N2CCC[C@H]2[C@]2(N1C(=O)[C@@](O2)(NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c([nH]3)Br)C(C)C)O)C | 36101495 | |||
| 35 | 729 | 40 | None | -36 | 36 | Human | 7.6 | pKi | = | 7.6 | Binding | Guide to Pharmacology | 653 | 5 | 3 | 6 | 3.2 | CC(C[C@H]1C(=O)N2CCC[C@H]2[C@]2(N1C(=O)[C@@](O2)(NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c([nH]3)Br)C(C)C)O)C | 12388666 | |||
| 35 | 729 | 40 | None | -36 | 36 | Human | 7.6 | pKi | = | 7.6 | Binding | Guide to Pharmacology | 653 | 5 | 3 | 6 | 3.2 | CC(C[C@H]1C(=O)N2CCC[C@H]2[C@]2(N1C(=O)[C@@](O2)(NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c([nH]3)Br)C(C)C)O)C | 36101495 | |||
| 403 | 729 | 40 | None | -36 | 36 | Human | 7.6 | pKi | = | 7.6 | Binding | Guide to Pharmacology | 653 | 5 | 3 | 6 | 3.2 | CC(C[C@H]1C(=O)N2CCC[C@H]2[C@]2(N1C(=O)[C@@](O2)(NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c([nH]3)Br)C(C)C)O)C | 12388666 | |||
| 403 | 729 | 40 | None | -36 | 36 | Human | 7.6 | pKi | = | 7.6 | Binding | Guide to Pharmacology | 653 | 5 | 3 | 6 | 3.2 | CC(C[C@H]1C(=O)N2CCC[C@H]2[C@]2(N1C(=O)[C@@](O2)(NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c([nH]3)Br)C(C)C)O)C | 36101495 | |||
| CHEMBL493 | 729 | 40 | None | -36 | 36 | Human | 7.6 | pKi | = | 7.6 | Binding | Guide to Pharmacology | 653 | 5 | 3 | 6 | 3.2 | CC(C[C@H]1C(=O)N2CCC[C@H]2[C@]2(N1C(=O)[C@@](O2)(NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c([nH]3)Br)C(C)C)O)C | 12388666 | |||
| CHEMBL493 | 729 | 40 | None | -36 | 36 | Human | 7.6 | pKi | = | 7.6 | Binding | Guide to Pharmacology | 653 | 5 | 3 | 6 | 3.2 | CC(C[C@H]1C(=O)N2CCC[C@H]2[C@]2(N1C(=O)[C@@](O2)(NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c([nH]3)Br)C(C)C)O)C | 36101495 | |||
| DB01200 | 729 | 40 | None | -36 | 36 | Human | 7.6 | pKi | = | 7.6 | Binding | Guide to Pharmacology | 653 | 5 | 3 | 6 | 3.2 | CC(C[C@H]1C(=O)N2CCC[C@H]2[C@]2(N1C(=O)[C@@](O2)(NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c([nH]3)Br)C(C)C)O)C | 12388666 | |||
| DB01200 | 729 | 40 | None | -36 | 36 | Human | 7.6 | pKi | = | 7.6 | Binding | Guide to Pharmacology | 653 | 5 | 3 | 6 | 3.2 | CC(C[C@H]1C(=O)N2CCC[C@H]2[C@]2(N1C(=O)[C@@](O2)(NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c([nH]3)Br)C(C)C)O)C | 36101495 | |||
| 213046 | 2385 | 59 | None | -10 | 9 | Human | 7.7 | pKi | = | 7.7 | Binding | Guide to Pharmacology | 492 | 5 | 0 | 6 | 4.3 | O=C1N(C[C@@H]2CCCC[C@H]2CN2CCN(CC2)c2nsc3c2cccc3)C(=O)[C@@H]2[C@H]1[C@H]1CC[C@@H]2C1 | 20404009 | |||
| 213046 | 2385 | 59 | None | -10 | 9 | Human | 7.7 | pKi | = | 7.7 | Binding | Guide to Pharmacology | 492 | 5 | 0 | 6 | 4.3 | O=C1N(C[C@@H]2CCCC[C@H]2CN2CCN(CC2)c2nsc3c2cccc3)C(=O)[C@@H]2[C@H]1[C@H]1CC[C@@H]2C1 | 35224877 | |||
| 4168 | 2385 | 59 | None | -10 | 9 | Human | 7.7 | pKi | = | 7.7 | Binding | Guide to Pharmacology | 492 | 5 | 0 | 6 | 4.3 | O=C1N(C[C@@H]2CCCC[C@H]2CN2CCN(CC2)c2nsc3c2cccc3)C(=O)[C@@H]2[C@H]1[C@H]1CC[C@@H]2C1 | 20404009 | |||
| 4168 | 2385 | 59 | None | -10 | 9 | Human | 7.7 | pKi | = | 7.7 | Binding | Guide to Pharmacology | 492 | 5 | 0 | 6 | 4.3 | O=C1N(C[C@@H]2CCCC[C@H]2CN2CCN(CC2)c2nsc3c2cccc3)C(=O)[C@@H]2[C@H]1[C@H]1CC[C@@H]2C1 | 35224877 | |||
| 7461 | 2385 | 59 | None | -10 | 9 | Human | 7.7 | pKi | = | 7.7 | Binding | Guide to Pharmacology | 492 | 5 | 0 | 6 | 4.3 | O=C1N(C[C@@H]2CCCC[C@H]2CN2CCN(CC2)c2nsc3c2cccc3)C(=O)[C@@H]2[C@H]1[C@H]1CC[C@@H]2C1 | 20404009 | |||
| 7461 | 2385 | 59 | None | -10 | 9 | Human | 7.7 | pKi | = | 7.7 | Binding | Guide to Pharmacology | 492 | 5 | 0 | 6 | 4.3 | O=C1N(C[C@@H]2CCCC[C@H]2CN2CCN(CC2)c2nsc3c2cccc3)C(=O)[C@@H]2[C@H]1[C@H]1CC[C@@H]2C1 | 35224877 | |||
| CHEMBL1237021 | 2385 | 59 | None | -10 | 9 | Human | 7.7 | pKi | = | 7.7 | Binding | Guide to Pharmacology | 492 | 5 | 0 | 6 | 4.3 | O=C1N(C[C@@H]2CCCC[C@H]2CN2CCN(CC2)c2nsc3c2cccc3)C(=O)[C@@H]2[C@H]1[C@H]1CC[C@@H]2C1 | 20404009 | |||
| CHEMBL1237021 | 2385 | 59 | None | -10 | 9 | Human | 7.7 | pKi | = | 7.7 | Binding | Guide to Pharmacology | 492 | 5 | 0 | 6 | 4.3 | O=C1N(C[C@@H]2CCCC[C@H]2CN2CCN(CC2)c2nsc3c2cccc3)C(=O)[C@@H]2[C@H]1[C@H]1CC[C@@H]2C1 | 35224877 | |||
| DB08815 | 2385 | 59 | None | -10 | 9 | Human | 7.7 | pKi | = | 7.7 | Binding | Guide to Pharmacology | 492 | 5 | 0 | 6 | 4.3 | O=C1N(C[C@@H]2CCCC[C@H]2CN2CCN(CC2)c2nsc3c2cccc3)C(=O)[C@@H]2[C@H]1[C@H]1CC[C@@H]2C1 | 20404009 | |||
| DB08815 | 2385 | 59 | None | -10 | 9 | Human | 7.7 | pKi | = | 7.7 | Binding | Guide to Pharmacology | 492 | 5 | 0 | 6 | 4.3 | O=C1N(C[C@@H]2CCCC[C@H]2CN2CCN(CC2)c2nsc3c2cccc3)C(=O)[C@@H]2[C@H]1[C@H]1CC[C@@H]2C1 | 35224877 | |||
| 2741 | 350 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | Guide to Pharmacology | 314 | 5 | 1 | 2 | 4.8 | C/C(=C\C=C\C(=C\C(=O)O)\C)/C=C/C1=C(C)C(=O)CCC1(C)C | 15771415 | |||
| 6437063 | 350 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | Guide to Pharmacology | 314 | 5 | 1 | 2 | 4.8 | C/C(=C\C=C\C(=C\C(=O)O)\C)/C=C/C1=C(C)C(=O)CCC1(C)C | 15771415 | |||
| CHEMBL104049 | 350 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | Guide to Pharmacology | 314 | 5 | 1 | 2 | 4.8 | C/C(=C\C=C\C(=C\C(=O)O)\C)/C=C/C1=C(C)C(=O)CCC1(C)C | 15771415 | |||
| 2142 | 3096 | 58 | None | -7 | 36 | Human | 7.8 | pKi | = | 7.8 | Binding | Guide to Pharmacology | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | 1353247 | |||
| 2142 | 3096 | 58 | None | -7 | 36 | Human | 7.8 | pKi | = | 7.8 | Binding | Guide to Pharmacology | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | 35224877 | |||
| 2142 | 3096 | 58 | None | -7 | 36 | Human | 7.8 | pKi | = | 7.8 | Binding | Guide to Pharmacology | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | 7908642 | |||
| 4920903 | 3096 | 58 | None | -7 | 36 | Human | 7.8 | pKi | = | 7.8 | Binding | Guide to Pharmacology | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | 1353247 | |||
| 4920903 | 3096 | 58 | None | -7 | 36 | Human | 7.8 | pKi | = | 7.8 | Binding | Guide to Pharmacology | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | 35224877 | |||
| 4920903 | 3096 | 58 | None | -7 | 36 | Human | 7.8 | pKi | = | 7.8 | Binding | Guide to Pharmacology | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | 7908642 | |||
| 502 | 3096 | 58 | None | -7 | 36 | Human | 7.8 | pKi | = | 7.8 | Binding | Guide to Pharmacology | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | 1353247 | |||
| 502 | 3096 | 58 | None | -7 | 36 | Human | 7.8 | pKi | = | 7.8 | Binding | Guide to Pharmacology | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | 35224877 | |||
| 502 | 3096 | 58 | None | -7 | 36 | Human | 7.8 | pKi | = | 7.8 | Binding | Guide to Pharmacology | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | 7908642 | |||
| 5775 | 3096 | 58 | None | -7 | 36 | Human | 7.8 | pKi | = | 7.8 | Binding | Guide to Pharmacology | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | 1353247 | |||
| 5775 | 3096 | 58 | None | -7 | 36 | Human | 7.8 | pKi | = | 7.8 | Binding | Guide to Pharmacology | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | 35224877 | |||
| 5775 | 3096 | 58 | None | -7 | 36 | Human | 7.8 | pKi | = | 7.8 | Binding | Guide to Pharmacology | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | 7908642 | |||
| CHEMBL597 | 3096 | 58 | None | -7 | 36 | Human | 7.8 | pKi | = | 7.8 | Binding | Guide to Pharmacology | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | 1353247 | |||
| CHEMBL597 | 3096 | 58 | None | -7 | 36 | Human | 7.8 | pKi | = | 7.8 | Binding | Guide to Pharmacology | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | 35224877 | |||
| CHEMBL597 | 3096 | 58 | None | -7 | 36 | Human | 7.8 | pKi | = | 7.8 | Binding | Guide to Pharmacology | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | 7908642 | |||
| DB00692 | 3096 | 58 | None | -7 | 36 | Human | 7.8 | pKi | = | 7.8 | Binding | Guide to Pharmacology | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | 1353247 | |||
| DB00692 | 3096 | 58 | None | -7 | 36 | Human | 7.8 | pKi | = | 7.8 | Binding | Guide to Pharmacology | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | 35224877 | |||
| DB00692 | 3096 | 58 | None | -7 | 36 | Human | 7.8 | pKi | = | 7.8 | Binding | Guide to Pharmacology | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | 7908642 | |||
| 11959 | 1536 | 0 | None | -4 | 4 | Human | 7.9 | pKi | = | 7.9 | Binding | Guide to Pharmacology | 405 | 5 | 1 | 7 | 3.0 | Cn1c(=O)c(c(cn1)NCCN1CCC(CC1)c1noc2c1ccc(c2)F)Cl | 22824189 | |||
| 9909267 | 1536 | 0 | None | -4 | 4 | Human | 7.9 | pKi | = | 7.9 | Binding | Guide to Pharmacology | 405 | 5 | 1 | 7 | 3.0 | Cn1c(=O)c(c(cn1)NCCN1CCC(CC1)c1noc2c1ccc(c2)F)Cl | 22824189 | |||
| 521 | 1404 | 69 | None | -30 | 7 | Human | 8.2 | pKi | = | 8.2 | Binding | Guide to Pharmacology | 200 | 2 | 1 | 1 | 3.2 | Cc1cccc(c1C)[C@@H](c1c[nH]cn1)C | 36101495 | |||
| 521 | 1404 | 69 | None | -30 | 7 | Human | 8.2 | pKi | = | 8.2 | Binding | Guide to Pharmacology | 200 | 2 | 1 | 1 | 3.2 | Cc1cccc(c1C)[C@@H](c1c[nH]cn1)C | 9605427 | |||
| 521 | 1404 | 69 | None | -30 | 7 | Human | 8.2 | pKi | = | 8.2 | Binding | Guide to Pharmacology | 200 | 2 | 1 | 1 | 3.2 | Cc1cccc(c1C)[C@@H](c1c[nH]cn1)C | 9760042 | |||
| 521 | 1404 | 69 | None | -30 | 7 | Human | 8.2 | pKi | = | 8.2 | Binding | Guide to Pharmacology | 200 | 2 | 1 | 1 | 3.2 | Cc1cccc(c1C)[C@@H](c1c[nH]cn1)C | 9824686 | |||
| 5311068 | 1404 | 69 | None | -30 | 7 | Human | 8.2 | pKi | = | 8.2 | Binding | Guide to Pharmacology | 200 | 2 | 1 | 1 | 3.2 | Cc1cccc(c1C)[C@@H](c1c[nH]cn1)C | 36101495 | |||
| 5311068 | 1404 | 69 | None | -30 | 7 | Human | 8.2 | pKi | = | 8.2 | Binding | Guide to Pharmacology | 200 | 2 | 1 | 1 | 3.2 | Cc1cccc(c1C)[C@@H](c1c[nH]cn1)C | 9605427 | |||
| 5311068 | 1404 | 69 | None | -30 | 7 | Human | 8.2 | pKi | = | 8.2 | Binding | Guide to Pharmacology | 200 | 2 | 1 | 1 | 3.2 | Cc1cccc(c1C)[C@@H](c1c[nH]cn1)C | 9760042 | |||
| 5311068 | 1404 | 69 | None | -30 | 7 | Human | 8.2 | pKi | = | 8.2 | Binding | Guide to Pharmacology | 200 | 2 | 1 | 1 | 3.2 | Cc1cccc(c1C)[C@@H](c1c[nH]cn1)C | 9824686 | |||
| 835 | 1404 | 69 | None | -30 | 7 | Human | 8.2 | pKi | = | 8.2 | Binding | Guide to Pharmacology | 200 | 2 | 1 | 1 | 3.2 | Cc1cccc(c1C)[C@@H](c1c[nH]cn1)C | 36101495 | |||
| 835 | 1404 | 69 | None | -30 | 7 | Human | 8.2 | pKi | = | 8.2 | Binding | Guide to Pharmacology | 200 | 2 | 1 | 1 | 3.2 | Cc1cccc(c1C)[C@@H](c1c[nH]cn1)C | 9605427 | |||
| 835 | 1404 | 69 | None | -30 | 7 | Human | 8.2 | pKi | = | 8.2 | Binding | Guide to Pharmacology | 200 | 2 | 1 | 1 | 3.2 | Cc1cccc(c1C)[C@@H](c1c[nH]cn1)C | 9760042 | |||
| 835 | 1404 | 69 | None | -30 | 7 | Human | 8.2 | pKi | = | 8.2 | Binding | Guide to Pharmacology | 200 | 2 | 1 | 1 | 3.2 | Cc1cccc(c1C)[C@@H](c1c[nH]cn1)C | 9824686 | |||
| CHEMBL778 | 1404 | 69 | None | -30 | 7 | Human | 8.2 | pKi | = | 8.2 | Binding | Guide to Pharmacology | 200 | 2 | 1 | 1 | 3.2 | Cc1cccc(c1C)[C@@H](c1c[nH]cn1)C | 36101495 | |||
| CHEMBL778 | 1404 | 69 | None | -30 | 7 | Human | 8.2 | pKi | = | 8.2 | Binding | Guide to Pharmacology | 200 | 2 | 1 | 1 | 3.2 | Cc1cccc(c1C)[C@@H](c1c[nH]cn1)C | 9605427 | |||
| CHEMBL778 | 1404 | 69 | None | -30 | 7 | Human | 8.2 | pKi | = | 8.2 | Binding | Guide to Pharmacology | 200 | 2 | 1 | 1 | 3.2 | Cc1cccc(c1C)[C@@H](c1c[nH]cn1)C | 9760042 | |||
| CHEMBL778 | 1404 | 69 | None | -30 | 7 | Human | 8.2 | pKi | = | 8.2 | Binding | Guide to Pharmacology | 200 | 2 | 1 | 1 | 3.2 | Cc1cccc(c1C)[C@@H](c1c[nH]cn1)C | 9824686 | |||
| DB00633 | 1404 | 69 | None | -30 | 7 | Human | 8.2 | pKi | = | 8.2 | Binding | Guide to Pharmacology | 200 | 2 | 1 | 1 | 3.2 | Cc1cccc(c1C)[C@@H](c1c[nH]cn1)C | 36101495 | |||
| DB00633 | 1404 | 69 | None | -30 | 7 | Human | 8.2 | pKi | = | 8.2 | Binding | Guide to Pharmacology | 200 | 2 | 1 | 1 | 3.2 | Cc1cccc(c1C)[C@@H](c1c[nH]cn1)C | 9605427 | |||
| DB00633 | 1404 | 69 | None | -30 | 7 | Human | 8.2 | pKi | = | 8.2 | Binding | Guide to Pharmacology | 200 | 2 | 1 | 1 | 3.2 | Cc1cccc(c1C)[C@@H](c1c[nH]cn1)C | 9760042 | |||
| DB00633 | 1404 | 69 | None | -30 | 7 | Human | 8.2 | pKi | = | 8.2 | Binding | Guide to Pharmacology | 200 | 2 | 1 | 1 | 3.2 | Cc1cccc(c1C)[C@@H](c1c[nH]cn1)C | 9824686 | |||
| 108094 | 3423 | 27 | None | -2 | 4 | Human | 8.4 | pKi | = | 8.4 | Binding | Guide to Pharmacology | 234 | 2 | 1 | 5 | 0.8 | COC1(COc2c(O1)cccc2)C1=NCCN1 | 35224877 | |||
| 108094 | 3423 | 27 | None | -2 | 4 | Human | 8.4 | pKi | = | 8.4 | Binding | Guide to Pharmacology | 234 | 2 | 1 | 5 | 0.8 | COC1(COc2c(O1)cccc2)C1=NCCN1 | 7996470 | |||
| 526 | 3423 | 27 | None | -2 | 4 | Human | 8.4 | pKi | = | 8.4 | Binding | Guide to Pharmacology | 234 | 2 | 1 | 5 | 0.8 | COC1(COc2c(O1)cccc2)C1=NCCN1 | 35224877 | |||
| 526 | 3423 | 27 | None | -2 | 4 | Human | 8.4 | pKi | = | 8.4 | Binding | Guide to Pharmacology | 234 | 2 | 1 | 5 | 0.8 | COC1(COc2c(O1)cccc2)C1=NCCN1 | 7996470 | |||
| 528 | 3423 | 27 | None | -2 | 4 | Human | 8.4 | pKi | = | 8.4 | Binding | Guide to Pharmacology | 234 | 2 | 1 | 5 | 0.8 | COC1(COc2c(O1)cccc2)C1=NCCN1 | 35224877 | |||
| 528 | 3423 | 27 | None | -2 | 4 | Human | 8.4 | pKi | = | 8.4 | Binding | Guide to Pharmacology | 234 | 2 | 1 | 5 | 0.8 | COC1(COc2c(O1)cccc2)C1=NCCN1 | 7996470 | |||
| CHEMBL10332 | 3423 | 27 | None | -2 | 4 | Human | 8.4 | pKi | = | 8.4 | Binding | Guide to Pharmacology | 234 | 2 | 1 | 5 | 0.8 | COC1(COc2c(O1)cccc2)C1=NCCN1 | 35224877 | |||
| CHEMBL10332 | 3423 | 27 | None | -2 | 4 | Human | 8.4 | pKi | = | 8.4 | Binding | Guide to Pharmacology | 234 | 2 | 1 | 5 | 0.8 | COC1(COc2c(O1)cccc2)C1=NCCN1 | 7996470 | |||
| 12576 | 514 | 94 | None | -2 | 6 | Human | 8.5 | pKi | = | 8.5 | Binding | Guide to Pharmacology | 212 | 2 | 1 | 1 | 2.9 | CCC1(CC2=CC=CC=C2C1)C3=CN=CN3 | 35224877 | |||
| 71310 | 514 | 94 | None | -2 | 6 | Human | 8.5 | pKi | = | 8.5 | Binding | Guide to Pharmacology | 212 | 2 | 1 | 1 | 2.9 | CCC1(CC2=CC=CC=C2C1)C3=CN=CN3 | 35224877 | |||
| CHEMBL353972 | 514 | 94 | None | -2 | 6 | Human | 8.5 | pKi | = | 8.5 | Binding | Guide to Pharmacology | 212 | 2 | 1 | 1 | 2.9 | CCC1(CC2=CC=CC=C2C1)C3=CN=CN3 | 35224877 | |||
| DB11481 | 514 | 94 | None | -2 | 6 | Human | 8.5 | pKi | = | 8.5 | Binding | Guide to Pharmacology | 212 | 2 | 1 | 1 | 2.9 | CCC1(CC2=CC=CC=C2C1)C3=CN=CN3 | 35224877 | |||
| 499 | 4077 | 18 | None | -3 | 14 | Human | 8.8 | pKi | = | 8.8 | Binding | Guide to Pharmacology | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(c1OCCNCC1COc2c(O1)cccc2)OC | 1353247 | |||
| 499 | 4077 | 18 | None | -3 | 14 | Human | 8.8 | pKi | = | 8.8 | Binding | Guide to Pharmacology | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(c1OCCNCC1COc2c(O1)cccc2)OC | 35224877 | |||
| 499 | 4077 | 18 | None | -3 | 14 | Human | 8.8 | pKi | = | 8.8 | Binding | Guide to Pharmacology | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(c1OCCNCC1COc2c(O1)cccc2)OC | 7908642 | |||
| 499 | 4077 | 18 | None | -3 | 14 | Human | 8.8 | pKi | = | 8.8 | Binding | Guide to Pharmacology | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(c1OCCNCC1COc2c(O1)cccc2)OC | 7996470 | |||
| 5685 | 4077 | 18 | None | -3 | 14 | Human | 8.8 | pKi | = | 8.8 | Binding | Guide to Pharmacology | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(c1OCCNCC1COc2c(O1)cccc2)OC | 1353247 | |||
| 5685 | 4077 | 18 | None | -3 | 14 | Human | 8.8 | pKi | = | 8.8 | Binding | Guide to Pharmacology | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(c1OCCNCC1COc2c(O1)cccc2)OC | 35224877 | |||
| 5685 | 4077 | 18 | None | -3 | 14 | Human | 8.8 | pKi | = | 8.8 | Binding | Guide to Pharmacology | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(c1OCCNCC1COc2c(O1)cccc2)OC | 7908642 | |||
| 5685 | 4077 | 18 | None | -3 | 14 | Human | 8.8 | pKi | = | 8.8 | Binding | Guide to Pharmacology | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(c1OCCNCC1COc2c(O1)cccc2)OC | 7996470 | |||
| CHEMBL25554 | 4077 | 18 | None | -3 | 14 | Human | 8.8 | pKi | = | 8.8 | Binding | Guide to Pharmacology | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(c1OCCNCC1COc2c(O1)cccc2)OC | 1353247 | |||
| CHEMBL25554 | 4077 | 18 | None | -3 | 14 | Human | 8.8 | pKi | = | 8.8 | Binding | Guide to Pharmacology | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(c1OCCNCC1COc2c(O1)cccc2)OC | 35224877 | |||
| CHEMBL25554 | 4077 | 18 | None | -3 | 14 | Human | 8.8 | pKi | = | 8.8 | Binding | Guide to Pharmacology | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(c1OCCNCC1COc2c(O1)cccc2)OC | 7908642 | |||
| CHEMBL25554 | 4077 | 18 | None | -3 | 14 | Human | 8.8 | pKi | = | 8.8 | Binding | Guide to Pharmacology | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(c1OCCNCC1COc2c(O1)cccc2)OC | 7996470 | |||
| 5268 | 3656 | 40 | None | -1 | 18 | Human | 8.9 | pKi | = | 8.9 | Binding | Guide to Pharmacology | 379 | 3 | 1 | 5 | 2.3 | O=C1NCN(C21CCN(CC2)CC1COc2c(O1)cccc2)c1ccccc1 | 35224877 | |||
| 5268 | 3656 | 40 | None | -1 | 18 | Human | 8.9 | pKi | = | 8.9 | Binding | Guide to Pharmacology | 379 | 3 | 1 | 5 | 2.3 | O=C1NCN(C21CCN(CC2)CC1COc2c(O1)cccc2)c1ccccc1 | 7996470 | |||
| 53 | 3656 | 40 | None | -1 | 18 | Human | 8.9 | pKi | = | 8.9 | Binding | Guide to Pharmacology | 379 | 3 | 1 | 5 | 2.3 | O=C1NCN(C21CCN(CC2)CC1COc2c(O1)cccc2)c1ccccc1 | 35224877 | |||
| 53 | 3656 | 40 | None | -1 | 18 | Human | 8.9 | pKi | = | 8.9 | Binding | Guide to Pharmacology | 379 | 3 | 1 | 5 | 2.3 | O=C1NCN(C21CCN(CC2)CC1COc2c(O1)cccc2)c1ccccc1 | 7996470 | |||
| CHEMBL300555 | 3656 | 40 | None | -1 | 18 | Human | 8.9 | pKi | = | 8.9 | Binding | Guide to Pharmacology | 379 | 3 | 1 | 5 | 2.3 | O=C1NCN(C21CCN(CC2)CC1COc2c(O1)cccc2)c1ccccc1 | 35224877 | |||
| CHEMBL300555 | 3656 | 40 | None | -1 | 18 | Human | 8.9 | pKi | = | 8.9 | Binding | Guide to Pharmacology | 379 | 3 | 1 | 5 | 2.3 | O=C1NCN(C21CCN(CC2)CC1COc2c(O1)cccc2)c1ccccc1 | 7996470 | |||
| 13130 | 2965 | 0 | None | - | 1 | Human | 8.9 | pKi | = | 8.9 | Binding | Guide to Pharmacology | 285 | 2 | 0 | 3 | 3.9 | [H][C@@]12N(CCC[C@@]1(C)OCC)CCC3=C2OC4=C3C=CC=C4 | 23718812 | |||
| 171037438 | 2965 | 0 | None | - | 1 | Human | 8.9 | pKi | = | 8.9 | Binding | Guide to Pharmacology | 285 | 2 | 0 | 3 | 3.9 | [H][C@@]12N(CCC[C@@]1(C)OCC)CCC3=C2OC4=C3C=CC=C4 | 23718812 | |||
| 102 | 4127 | 48 | None | -2 | 49 | Human | 9.0 | pKi | = | 9 | Binding | Guide to Pharmacology | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | 1353247 | |||
| 102 | 4127 | 48 | None | -2 | 49 | Human | 9.0 | pKi | = | 9 | Binding | Guide to Pharmacology | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | 35224877 | |||
| 102 | 4127 | 48 | None | -2 | 49 | Human | 9.0 | pKi | = | 9 | Binding | Guide to Pharmacology | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | 7908642 | |||
| 102 | 4127 | 48 | None | -2 | 49 | Human | 9.0 | pKi | = | 9 | Binding | Guide to Pharmacology | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | 7996470 | |||
| 3659 | 4127 | 48 | None | -2 | 49 | Human | 9.0 | pKi | = | 9 | Binding | Guide to Pharmacology | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | 1353247 | |||
| 3659 | 4127 | 48 | None | -2 | 49 | Human | 9.0 | pKi | = | 9 | Binding | Guide to Pharmacology | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | 35224877 | |||
| 3659 | 4127 | 48 | None | -2 | 49 | Human | 9.0 | pKi | = | 9 | Binding | Guide to Pharmacology | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | 7908642 | |||
| 3659 | 4127 | 48 | None | -2 | 49 | Human | 9.0 | pKi | = | 9 | Binding | Guide to Pharmacology | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | 7996470 | |||
| 8969 | 4127 | 48 | None | -2 | 49 | Human | 9.0 | pKi | = | 9 | Binding | Guide to Pharmacology | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | 1353247 | |||
| 8969 | 4127 | 48 | None | -2 | 49 | Human | 9.0 | pKi | = | 9 | Binding | Guide to Pharmacology | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | 35224877 | |||
| 8969 | 4127 | 48 | None | -2 | 49 | Human | 9.0 | pKi | = | 9 | Binding | Guide to Pharmacology | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | 7908642 | |||
| 8969 | 4127 | 48 | None | -2 | 49 | Human | 9.0 | pKi | = | 9 | Binding | Guide to Pharmacology | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | 7996470 | |||
| CHEMBL15245 | 4127 | 48 | None | -2 | 49 | Human | 9.0 | pKi | = | 9 | Binding | Guide to Pharmacology | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | 1353247 | |||
| CHEMBL15245 | 4127 | 48 | None | -2 | 49 | Human | 9.0 | pKi | = | 9 | Binding | Guide to Pharmacology | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | 35224877 | |||
| CHEMBL15245 | 4127 | 48 | None | -2 | 49 | Human | 9.0 | pKi | = | 9 | Binding | Guide to Pharmacology | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | 7908642 | |||
| CHEMBL15245 | 4127 | 48 | None | -2 | 49 | Human | 9.0 | pKi | = | 9 | Binding | Guide to Pharmacology | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | 7996470 | |||
| DB01392 | 4127 | 48 | None | -2 | 49 | Human | 9.0 | pKi | = | 9 | Binding | Guide to Pharmacology | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | 1353247 | |||
| DB01392 | 4127 | 48 | None | -2 | 49 | Human | 9.0 | pKi | = | 9 | Binding | Guide to Pharmacology | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | 35224877 | |||
| DB01392 | 4127 | 48 | None | -2 | 49 | Human | 9.0 | pKi | = | 9 | Binding | Guide to Pharmacology | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | 7908642 | |||
| DB01392 | 4127 | 48 | None | -2 | 49 | Human | 9.0 | pKi | = | 9 | Binding | Guide to Pharmacology | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | 7996470 | |||
| 136 | 3292 | 32 | None | 3 | 15 | Human | 9.1 | pKi | = | 9.1 | Binding | Guide to Pharmacology | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@@H]1[C@@H](O)CC[C@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | 7996470 | |||
| 223 | 3292 | 32 | None | 3 | 15 | Human | 9.1 | pKi | = | 9.1 | Binding | Guide to Pharmacology | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@@H]1[C@@H](O)CC[C@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | 7996470 | |||
| 643606 | 3292 | 32 | None | 3 | 15 | Human | 9.1 | pKi | = | 9.1 | Binding | Guide to Pharmacology | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@@H]1[C@@H](O)CC[C@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | 7996470 | |||
| CHEMBL10347 | 3292 | 32 | None | 3 | 15 | Human | 9.1 | pKi | = | 9.1 | Binding | Guide to Pharmacology | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@@H]1[C@@H](O)CC[C@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | 7996470 | |||
| 13128 | 3400 | 0 | None | 3 | 3 | Human | 9.4 | pKi | = | 9.4 | Binding | Guide to Pharmacology | 364 | 3 | 0 | 4 | 2.4 | CCS(=O)(=O)N1CCC[C@H]2[C@@H]1C[C@H]3C4=C(CCN3C2)C=C(C=C4)OC | 35224877 | |||
| 9908992 | 3400 | 0 | None | 3 | 3 | Human | 9.4 | pKi | = | 9.4 | Binding | Guide to Pharmacology | 364 | 3 | 0 | 4 | 2.4 | CCS(=O)(=O)N1CCC[C@H]2[C@@H]1C[C@H]3C4=C(CCN3C2)C=C(C=C4)OC | 35224877 | |||
| CHEMBL4303564 | 3400 | 0 | None | 3 | 3 | Human | 9.4 | pKi | = | 9.4 | Binding | Guide to Pharmacology | 364 | 3 | 0 | 4 | 2.4 | CCS(=O)(=O)N1CCC[C@H]2[C@@H]1C[C@H]3C4=C(CCN3C2)C=C(C=C4)OC | 35224877 | |||
| 1588 | 2325 | 27 | None | -3 | 44 | Human | 9.6 | pKi | = | 9.6 | Binding | Guide to Pharmacology | 338 | 3 | 2 | 2 | 2.8 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | 12388666 | |||
| 1588 | 2325 | 27 | None | -3 | 44 | Human | 9.6 | pKi | = | 9.6 | Binding | Guide to Pharmacology | 338 | 3 | 2 | 2 | 2.8 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | 35224877 | |||
| 1588 | 2325 | 27 | None | -3 | 44 | Human | 9.6 | pKi | = | 9.6 | Binding | Guide to Pharmacology | 338 | 3 | 2 | 2 | 2.8 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | 9227000 | |||
| 28864 | 2325 | 27 | None | -3 | 44 | Human | 9.6 | pKi | = | 9.6 | Binding | Guide to Pharmacology | 338 | 3 | 2 | 2 | 2.8 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | 12388666 | |||
| 28864 | 2325 | 27 | None | -3 | 44 | Human | 9.6 | pKi | = | 9.6 | Binding | Guide to Pharmacology | 338 | 3 | 2 | 2 | 2.8 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | 35224877 | |||
| 28864 | 2325 | 27 | None | -3 | 44 | Human | 9.6 | pKi | = | 9.6 | Binding | Guide to Pharmacology | 338 | 3 | 2 | 2 | 2.8 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | 9227000 | |||
| 43 | 2325 | 27 | None | -3 | 44 | Human | 9.6 | pKi | = | 9.6 | Binding | Guide to Pharmacology | 338 | 3 | 2 | 2 | 2.8 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | 12388666 | |||
| 43 | 2325 | 27 | None | -3 | 44 | Human | 9.6 | pKi | = | 9.6 | Binding | Guide to Pharmacology | 338 | 3 | 2 | 2 | 2.8 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | 35224877 | |||
| 43 | 2325 | 27 | None | -3 | 44 | Human | 9.6 | pKi | = | 9.6 | Binding | Guide to Pharmacology | 338 | 3 | 2 | 2 | 2.8 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | 9227000 | |||
| CHEMBL157138 | 2325 | 27 | None | -3 | 44 | Human | 9.6 | pKi | = | 9.6 | Binding | Guide to Pharmacology | 338 | 3 | 2 | 2 | 2.8 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | 12388666 | |||
| CHEMBL157138 | 2325 | 27 | None | -3 | 44 | Human | 9.6 | pKi | = | 9.6 | Binding | Guide to Pharmacology | 338 | 3 | 2 | 2 | 2.8 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | 35224877 | |||
| CHEMBL157138 | 2325 | 27 | None | -3 | 44 | Human | 9.6 | pKi | = | 9.6 | Binding | Guide to Pharmacology | 338 | 3 | 2 | 2 | 2.8 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | 9227000 | |||
| DB00589 | 2325 | 27 | None | -3 | 44 | Human | 9.6 | pKi | = | 9.6 | Binding | Guide to Pharmacology | 338 | 3 | 2 | 2 | 2.8 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | 12388666 | |||
| DB00589 | 2325 | 27 | None | -3 | 44 | Human | 9.6 | pKi | = | 9.6 | Binding | Guide to Pharmacology | 338 | 3 | 2 | 2 | 2.8 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | 35224877 | |||
| DB00589 | 2325 | 27 | None | -3 | 44 | Human | 9.6 | pKi | = | 9.6 | Binding | Guide to Pharmacology | 338 | 3 | 2 | 2 | 2.8 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | 9227000 | |||
| 12577 | 2563 | 0 | None | 15 | 3 | Human | 9.9 | pKi | = | 9.9 | Binding | Guide to Pharmacology | 339 | 0 | 0 | 3 | 3.3 | CN1CC[C@]2(CCN3CCC4=C([C@@H]3C2)OC5=CC=CC=C45)N(C1=O)C | 35224877 | |||
| 189711 | 2563 | 0 | None | 15 | 3 | Human | 9.9 | pKi | = | 9.9 | Binding | Guide to Pharmacology | 339 | 0 | 0 | 3 | 3.3 | CN1CC[C@]2(CCN3CCC4=C([C@@H]3C2)OC5=CC=CC=C45)N(C1=O)C | 35224877 | |||
| CHEMBL1257057 | 2563 | 0 | None | 15 | 3 | Human | 9.9 | pKi | = | 9.9 | Binding | Guide to Pharmacology | 339 | 0 | 0 | 3 | 3.3 | CN1CC[C@]2(CCN3CCC4=C([C@@H]3C2)OC5=CC=CC=C45)N(C1=O)C | 35224877 | |||
| 179 | 400 | 115 | None | -40 | 49 | Human | 8.2 | pKi | None | 8.2 | Binding | Drug Central | 369 | 7 | 2 | 6 | 1.3 | CCN1CCCC1CNC(=O)c1cc(c(cc1OC)N)S(=O)(=O)CC | None | |||
| 2159 | 400 | 115 | None | -40 | 49 | Human | 8.2 | pKi | None | 8.2 | Binding | Drug Central | 369 | 7 | 2 | 6 | 1.3 | CCN1CCCC1CNC(=O)c1cc(c(cc1OC)N)S(=O)(=O)CC | None | |||
| 963 | 400 | 115 | None | -40 | 49 | Human | 8.2 | pKi | None | 8.2 | Binding | Drug Central | 369 | 7 | 2 | 6 | 1.3 | CCN1CCCC1CNC(=O)c1cc(c(cc1OC)N)S(=O)(=O)CC | None | |||
| CHEMBL243712 | 400 | 115 | None | -40 | 49 | Human | 8.2 | pKi | None | 8.2 | Binding | Drug Central | 369 | 7 | 2 | 6 | 1.3 | CCN1CCCC1CNC(=O)c1cc(c(cc1OC)N)S(=O)(=O)CC | None | |||
| DB06288 | 400 | 115 | None | -40 | 49 | Human | 8.2 | pKi | None | 8.2 | Binding | Drug Central | 369 | 7 | 2 | 6 | 1.3 | CCN1CCCC1CNC(=O)c1cc(c(cc1OC)N)S(=O)(=O)CC | None | |||
| 162265 | 202274 | 22 | None | -8 | 43 | Human | 8.2 | pKi | None | 8.2 | Binding | Drug Central | 151 | 2 | 2 | 2 | 1.1 | CC(N)C(O)c1ccccc1 | None | |||
| 4786 | 202274 | 22 | None | -8 | 43 | Human | 8.2 | pKi | None | 8.2 | Binding | Drug Central | 151 | 2 | 2 | 2 | 1.1 | CC(N)C(O)c1ccccc1 | None | |||
| CHEMBL61006 | 202274 | 22 | None | -8 | 43 | Human | 8.2 | pKi | None | 8.2 | Binding | Drug Central | 151 | 2 | 2 | 2 | 1.1 | CC(N)C(O)c1ccccc1 | None | |||
| 3337 | 206367 | 27 | None | -13 | 40 | Human | 8.2 | pKi | None | 8.2 | Binding | Drug Central | 231 | 4 | 1 | 1 | 3.2 | CCNC(C)Cc1cccc(C(F)(F)F)c1 | None | |||
| 65801 | 206367 | 27 | None | -13 | 40 | Human | 8.2 | pKi | None | 8.2 | Binding | Drug Central | 231 | 4 | 1 | 1 | 3.2 | CCNC(C)Cc1cccc(C(F)(F)F)c1 | None | |||
| 66264 | 206367 | 27 | None | -13 | 40 | Human | 8.2 | pKi | None | 8.2 | Binding | Drug Central | 231 | 4 | 1 | 1 | 3.2 | CCNC(C)Cc1cccc(C(F)(F)F)c1 | None | |||
| 91452 | 206367 | 27 | None | -13 | 40 | Human | 8.2 | pKi | None | 8.2 | Binding | Drug Central | 231 | 4 | 1 | 1 | 3.2 | CCNC(C)Cc1cccc(C(F)(F)F)c1 | None | |||
| CHEMBL87493 | 206367 | 27 | None | -13 | 40 | Human | 8.2 | pKi | None | 8.2 | Binding | Drug Central | 231 | 4 | 1 | 1 | 3.2 | CCNC(C)Cc1cccc(C(F)(F)F)c1 | None | |||
| 134 | 2514 | 24 | None | -21 | 67 | Human | 8.2 | pKi | None | 8.2 | Binding | Drug Central | 353 | 4 | 2 | 4 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)cn3C)CO | None | |||
| 1775 | 2514 | 24 | None | -21 | 67 | Human | 8.2 | pKi | None | 8.2 | Binding | Drug Central | 353 | 4 | 2 | 4 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)cn3C)CO | None | |||
| 9681 | 2514 | 24 | None | -21 | 67 | Human | 8.2 | pKi | None | 8.2 | Binding | Drug Central | 353 | 4 | 2 | 4 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)cn3C)CO | None | |||
| CHEMBL1065 | 2514 | 24 | None | -21 | 67 | Human | 8.2 | pKi | None | 8.2 | Binding | Drug Central | 353 | 4 | 2 | 4 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)cn3C)CO | None | |||
| DB00247 | 2514 | 24 | None | -21 | 67 | Human | 8.2 | pKi | None | 8.2 | Binding | Drug Central | 353 | 4 | 2 | 4 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)cn3C)CO | None | |||
| 119570 | 3159 | 96 | None | -89 | 40 | Human | 8.1 | pKi | None | 8.1 | Binding | Drug Central | 211 | 3 | 2 | 4 | 1.6 | CCCN[C@H]1CCc2c(C1)sc(n2)N | None | |||
| 2233 | 3159 | 96 | None | -89 | 40 | Human | 8.1 | pKi | None | 8.1 | Binding | Drug Central | 211 | 3 | 2 | 4 | 1.6 | CCCN[C@H]1CCc2c(C1)sc(n2)N | None | |||
| 953 | 3159 | 96 | None | -89 | 40 | Human | 8.1 | pKi | None | 8.1 | Binding | Drug Central | 211 | 3 | 2 | 4 | 1.6 | CCCN[C@H]1CCc2c(C1)sc(n2)N | None | |||
| CHEMBL301265 | 3159 | 96 | None | -89 | 40 | Human | 8.1 | pKi | None | 8.1 | Binding | Drug Central | 211 | 3 | 2 | 4 | 1.6 | CCCN[C@H]1CCc2c(C1)sc(n2)N | None | |||
| DB00413 | 3159 | 96 | None | -89 | 40 | Human | 8.1 | pKi | None | 8.1 | Binding | Drug Central | 211 | 3 | 2 | 4 | 1.6 | CCCN[C@H]1CCc2c(C1)sc(n2)N | None | |||
| 46780481 | 107531 | 20 | None | -72 | 53 | Human | 8.1 | pKi | None | 8.1 | Binding | Drug Central | 285 | 0 | 0 | 2 | 4.3 | CN1CC2c3ccccc3Oc3ccc(Cl)cc3C2C1 | None | |||
| 9903970 | 107531 | 20 | None | -72 | 53 | Human | 8.1 | pKi | None | 8.1 | Binding | Drug Central | 285 | 0 | 0 | 2 | 4.3 | CN1CC2c3ccccc3Oc3ccc(Cl)cc3C2C1 | None | |||
| CHEMBL3187365 | 107531 | 20 | None | -72 | 53 | Human | 8.1 | pKi | None | 8.1 | Binding | Drug Central | 285 | 0 | 0 | 2 | 4.3 | CN1CC2c3ccccc3Oc3ccc(Cl)cc3C2C1 | None | |||
| CHEMBL3544974 | 107531 | 20 | None | -72 | 53 | Human | 8.1 | pKi | None | 8.1 | Binding | Drug Central | 285 | 0 | 0 | 2 | 4.3 | CN1CC2c3ccccc3Oc3ccc(Cl)cc3C2C1 | None | |||
| 2202 | 3132 | 96 | None | 1 | 21 | Human | 7.2 | pKi | None | 7.2 | Binding | Guide to Pharmacology | 298 | 3 | 0 | 6 | 1.5 | c1cnc(nc1)N1CCN(CC1)Cc1ccc2c(c1)OCO2 | 12388666 | |||
| 4850 | 3132 | 96 | None | 1 | 21 | Human | 7.2 | pKi | None | 7.2 | Binding | Guide to Pharmacology | 298 | 3 | 0 | 6 | 1.5 | c1cnc(nc1)N1CCN(CC1)Cc1ccc2c(c1)OCO2 | 12388666 | |||
| 49 | 3132 | 96 | None | 1 | 21 | Human | 7.2 | pKi | None | 7.2 | Binding | Guide to Pharmacology | 298 | 3 | 0 | 6 | 1.5 | c1cnc(nc1)N1CCN(CC1)Cc1ccc2c(c1)OCO2 | 12388666 | |||
| CHEMBL1371770 | 3132 | 96 | None | 1 | 21 | Human | 7.2 | pKi | None | 7.2 | Binding | Guide to Pharmacology | 298 | 3 | 0 | 6 | 1.5 | c1cnc(nc1)N1CCN(CC1)Cc1ccc2c(c1)OCO2 | 12388666 | |||
| DB12478 | 3132 | 96 | None | 1 | 21 | Human | 7.2 | pKi | None | 7.2 | Binding | Guide to Pharmacology | 298 | 3 | 0 | 6 | 1.5 | c1cnc(nc1)N1CCN(CC1)Cc1ccc2c(c1)OCO2 | 12388666 | |||
| 228 | 445 | 28 | None | -3 | 24 | Human | 7.4 | pKi | None | 7.4 | Binding | Guide to Pharmacology | 267 | 0 | 2 | 3 | 2.9 | CN1CCc2c3[C@H]1Cc1ccc(c(c1c3ccc2)O)O | 12388666 | |||
| 33 | 445 | 28 | None | -3 | 24 | Human | 7.4 | pKi | None | 7.4 | Binding | Guide to Pharmacology | 267 | 0 | 2 | 3 | 2.9 | CN1CCc2c3[C@H]1Cc1ccc(c(c1c3ccc2)O)O | 12388666 | |||
| 6005 | 445 | 28 | None | -3 | 24 | Human | 7.4 | pKi | None | 7.4 | Binding | Guide to Pharmacology | 267 | 0 | 2 | 3 | 2.9 | CN1CCc2c3[C@H]1Cc1ccc(c(c1c3ccc2)O)O | 12388666 | |||
| CHEMBL53 | 445 | 28 | None | -3 | 24 | Human | 7.4 | pKi | None | 7.4 | Binding | Guide to Pharmacology | 267 | 0 | 2 | 3 | 2.9 | CN1CCc2c3[C@H]1Cc1ccc(c(c1c3ccc2)O)O | 12388666 | |||
| DB00714 | 445 | 28 | None | -3 | 24 | Human | 7.4 | pKi | None | 7.4 | Binding | Guide to Pharmacology | 267 | 0 | 2 | 3 | 2.9 | CN1CCc2c3[C@H]1Cc1ccc(c(c1c3ccc2)O)O | 12388666 | |||
| 37 | 778 | 60 | None | -5 | 17 | Human | 7.7 | pKi | None | 7.7 | Binding | Guide to Pharmacology | 451 | 8 | 2 | 4 | 3.2 | C=CCN1C[C@@H](C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3)C(=O)N(C(=O)NCC)CCCN(C)C | 12388666 | |||
| 460 | 778 | 60 | None | -5 | 17 | Human | 7.7 | pKi | None | 7.7 | Binding | Guide to Pharmacology | 451 | 8 | 2 | 4 | 3.2 | C=CCN1C[C@@H](C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3)C(=O)N(C(=O)NCC)CCCN(C)C | 12388666 | |||
| 54746 | 778 | 60 | None | -5 | 17 | Human | 7.7 | pKi | None | 7.7 | Binding | Guide to Pharmacology | 451 | 8 | 2 | 4 | 3.2 | C=CCN1C[C@@H](C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3)C(=O)N(C(=O)NCC)CCCN(C)C | 12388666 | |||
| CHEMBL1201087 | 778 | 60 | None | -5 | 17 | Human | 7.7 | pKi | None | 7.7 | Binding | Guide to Pharmacology | 451 | 8 | 2 | 4 | 3.2 | C=CCN1C[C@@H](C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3)C(=O)N(C(=O)NCC)CCCN(C)C | 12388666 | |||
| DB00248 | 778 | 60 | None | -5 | 17 | Human | 7.7 | pKi | None | 7.7 | Binding | Guide to Pharmacology | 451 | 8 | 2 | 4 | 3.2 | C=CCN1C[C@@H](C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3)C(=O)N(C(=O)NCC)CCCN(C)C | 12388666 | |||
| 219050 | 3373 | 25 | None | -10 | 21 | Human | 8.8 | pKi | None | 8.8 | Binding | Guide to Pharmacology | 346 | 6 | 2 | 2 | 5.0 | Oc1ccc2c(c1)c(CCCCN1CCC(=CC1)c1ccccc1)c[nH]2 | 12388666 | |||
| 52 | 3373 | 25 | None | -10 | 21 | Human | 8.8 | pKi | None | 8.8 | Binding | Guide to Pharmacology | 346 | 6 | 2 | 2 | 5.0 | Oc1ccc2c(c1)c(CCCCN1CCC(=CC1)c1ccccc1)c[nH]2 | 12388666 | |||
| CHEMBL431367 | 3373 | 25 | None | -10 | 21 | Human | 8.8 | pKi | None | 8.8 | Binding | Guide to Pharmacology | 346 | 6 | 2 | 2 | 5.0 | Oc1ccc2c(c1)c(CCCCN1CCC(=CC1)c1ccccc1)c[nH]2 | 12388666 | |||
| 2601 | 3780 | 33 | None | -2 | 21 | Human | 9.1 | pKi | None | 9.1 | Binding | Guide to Pharmacology | 340 | 3 | 2 | 2 | 2.9 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)c[nH]3)CC | 12388666 | |||
| 443951 | 3780 | 33 | None | -2 | 21 | Human | 9.1 | pKi | None | 9.1 | Binding | Guide to Pharmacology | 340 | 3 | 2 | 2 | 2.9 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)c[nH]3)CC | 12388666 | |||
| 56 | 3780 | 33 | None | -2 | 21 | Human | 9.1 | pKi | None | 9.1 | Binding | Guide to Pharmacology | 340 | 3 | 2 | 2 | 2.9 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)c[nH]3)CC | 12388666 | |||
| CHEMBL73151 | 3780 | 33 | None | -2 | 21 | Human | 9.1 | pKi | None | 9.1 | Binding | Guide to Pharmacology | 340 | 3 | 2 | 2 | 2.9 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)c[nH]3)CC | 12388666 | |||
| DB13399 | 3780 | 33 | None | -2 | 21 | Human | 9.1 | pKi | None | 9.1 | Binding | Guide to Pharmacology | 340 | 3 | 2 | 2 | 2.9 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)c[nH]3)CC | 12388666 | |||