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 |
| 4418 | 34222 | 85 | None | -23 | 18 | Human | 5.9 | pAC50 | = | 5.9 | Functional | ChEMBL | 392 | 7 | 1 | 5 | 3.4 | COc1ccccc1N1CCN(CC(O)COc2cccc3ccccc23)CC1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL142635 | 34222 | 85 | None | -23 | 18 | Human | 5.9 | pAC50 | = | 5.9 | Functional | ChEMBL | 392 | 7 | 1 | 5 | 3.4 | COc1ccccc1N1CCN(CC(O)COc2cccc3ccccc23)CC1 | 10.1038/s41467-023-40064-9 | ||
| 2601 | 3780 | 33 | None | -4897 | 17 | Human | 4.8 | pAC50 | = | 4.8 | 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 | -4897 | 17 | Human | 4.8 | pAC50 | = | 4.8 | 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 | -4897 | 17 | Human | 4.8 | pAC50 | = | 4.8 | 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 | -4897 | 17 | Human | 4.8 | pAC50 | = | 4.8 | 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 | -4897 | 17 | Human | 4.8 | pAC50 | = | 4.8 | 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 | ||
| 12574 | 2605 | 88 | None | -257 | 8 | Human | 4.8 | pAC50 | = | 4.8 | 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 | -257 | 8 | Human | 4.8 | pAC50 | = | 4.8 | 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 | -257 | 8 | Human | 4.8 | pAC50 | = | 4.8 | 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 | -257 | 8 | Human | 4.8 | pAC50 | = | 4.8 | Functional | ChEMBL | 241 | 2 | 2 | 6 | 0.8 | CC1=NC(=C(C(=N1)Cl)NC2=NCCN2)OC | 10.1038/s41467-023-40064-9 | ||
| 31101 | 729 | 40 | None | -676 | 29 | Human | 5.7 | pAC50 | = | 5.7 | 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 | -676 | 29 | Human | 5.7 | pAC50 | = | 5.7 | 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 | -676 | 29 | Human | 5.7 | pAC50 | = | 5.7 | 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 | -676 | 29 | Human | 5.7 | pAC50 | = | 5.7 | 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 | -676 | 29 | Human | 5.7 | pAC50 | = | 5.7 | 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 | ||
| 135564886 | 14493 | 5 | None | -7 | 25 | Human | 4.6 | pAC50 | = | 4.6 | 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 | -7 | 25 | Human | 4.6 | pAC50 | = | 4.6 | 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 | -7 | 25 | Human | 4.6 | pAC50 | = | 4.6 | 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 | -7 | 25 | Human | 4.6 | pAC50 | = | 4.6 | 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 | -7 | 25 | Human | 4.6 | pAC50 | = | 4.6 | 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 | -7 | 25 | Human | 4.6 | pAC50 | = | 4.6 | 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 | ||
| 134 | 2514 | 24 | None | -1380 | 18 | Human | 5.6 | pAC50 | = | 5.6 | 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 | -1380 | 18 | Human | 5.6 | pAC50 | = | 5.6 | 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 | -1380 | 18 | Human | 5.6 | pAC50 | = | 5.6 | 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 | -1380 | 18 | Human | 5.6 | pAC50 | = | 5.6 | 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 | -1380 | 18 | Human | 5.6 | pAC50 | = | 5.6 | 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 | ||
| 168871 | 89130 | 14 | None | -234 | 13 | Human | 5.5 | pAC50 | = | 5.5 | 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 | -234 | 13 | Human | 5.5 | pAC50 | = | 5.5 | 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 | ||
| 2803 | 955 | 58 | None | -93 | 14 | Human | 6.4 | pAC50 | = | 6.4 | Functional | ChEMBL | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | 10.1038/s41467-023-40064-9 | ||
| 516 | 955 | 58 | None | -93 | 14 | Human | 6.4 | pAC50 | = | 6.4 | Functional | ChEMBL | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | 10.1038/s41467-023-40064-9 | ||
| 704 | 955 | 58 | None | -93 | 14 | Human | 6.4 | pAC50 | = | 6.4 | Functional | ChEMBL | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | 10.1038/s41467-023-40064-9 | ||
| CHEMBL134 | 955 | 58 | None | -93 | 14 | Human | 6.4 | pAC50 | = | 6.4 | Functional | ChEMBL | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | 10.1038/s41467-023-40064-9 | ||
| DB00575 | 955 | 58 | None | -93 | 14 | Human | 6.4 | pAC50 | = | 6.4 | Functional | ChEMBL | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | 10.1038/s41467-023-40064-9 | ||
| 37 | 778 | 60 | None | -891 | 12 | Human | 5.4 | pAC50 | = | 5.4 | 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 | -891 | 12 | Human | 5.4 | pAC50 | = | 5.4 | 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 | -891 | 12 | Human | 5.4 | pAC50 | = | 5.4 | 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 | -891 | 12 | Human | 5.4 | pAC50 | = | 5.4 | 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 | -891 | 12 | Human | 5.4 | pAC50 | = | 5.4 | 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 | ||
| 150 | 2509 | 21 | None | -22 | 17 | Human | 7.2 | pAC50 | = | 7.2 | 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 | -22 | 17 | Human | 7.2 | pAC50 | = | 7.2 | 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 | -22 | 17 | Human | 7.2 | pAC50 | = | 7.2 | 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 | -22 | 17 | Human | 7.2 | pAC50 | = | 7.2 | 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 | -22 | 17 | Human | 7.2 | pAC50 | = | 7.2 | 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 | ||
| 10531 | 1420 | 21 | None | -467 | 25 | Human | 6.2 | pAC50 | = | 6.2 | 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 | -467 | 25 | Human | 6.2 | pAC50 | = | 6.2 | 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 | -467 | 25 | Human | 6.2 | pAC50 | = | 6.2 | 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 | -467 | 25 | Human | 6.2 | pAC50 | = | 6.2 | 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 | -467 | 25 | Human | 6.2 | pAC50 | = | 6.2 | 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 | ||
| 119570 | 3159 | 96 | None | -602 | 11 | Human | 6.1 | pAC50 | = | 6.1 | Functional | ChEMBL | 211 | 3 | 2 | 4 | 1.6 | CCCN[C@H]1CCc2c(C1)sc(n2)N | 10.1038/s41467-023-40064-9 | ||
| 2233 | 3159 | 96 | None | -602 | 11 | Human | 6.1 | pAC50 | = | 6.1 | Functional | ChEMBL | 211 | 3 | 2 | 4 | 1.6 | CCCN[C@H]1CCc2c(C1)sc(n2)N | 10.1038/s41467-023-40064-9 | ||
| 953 | 3159 | 96 | None | -602 | 11 | Human | 6.1 | pAC50 | = | 6.1 | Functional | ChEMBL | 211 | 3 | 2 | 4 | 1.6 | CCCN[C@H]1CCc2c(C1)sc(n2)N | 10.1038/s41467-023-40064-9 | ||
| CHEMBL301265 | 3159 | 96 | None | -602 | 11 | Human | 6.1 | pAC50 | = | 6.1 | Functional | ChEMBL | 211 | 3 | 2 | 4 | 1.6 | CCCN[C@H]1CCc2c(C1)sc(n2)N | 10.1038/s41467-023-40064-9 | ||
| DB00413 | 3159 | 96 | None | -602 | 11 | Human | 6.1 | pAC50 | = | 6.1 | Functional | ChEMBL | 211 | 3 | 2 | 4 | 1.6 | CCCN[C@H]1CCc2c(C1)sc(n2)N | 10.1038/s41467-023-40064-9 | ||
| 7741 | 14497 | 69 | None | - | 1 | Human | 6.0 | pAC50 | = | 6.0 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cc[nH]n1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1201323 | 14497 | 69 | None | - | 1 | Human | 6.0 | pAC50 | = | 6.0 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cc[nH]n1 | 10.1038/s41467-023-40064-9 | ||
| 2683 | 3834 | 60 | None | -22 | 6 | Human | 6.0 | pAC50 | = | 6.0 | Functional | ChEMBL | 253 | 1 | 2 | 6 | 1.7 | Clc1ccc2c(c1NC1=NCCN1)nsn2 | 10.1038/s41467-023-40064-9 | ||
| 5487 | 3834 | 60 | None | -22 | 6 | Human | 6.0 | pAC50 | = | 6.0 | Functional | ChEMBL | 253 | 1 | 2 | 6 | 1.7 | Clc1ccc2c(c1NC1=NCCN1)nsn2 | 10.1038/s41467-023-40064-9 | ||
| 7308 | 3834 | 60 | None | -22 | 6 | Human | 6.0 | pAC50 | = | 6.0 | Functional | ChEMBL | 253 | 1 | 2 | 6 | 1.7 | Clc1ccc2c(c1NC1=NCCN1)nsn2 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1079 | 3834 | 60 | None | -22 | 6 | Human | 6.0 | pAC50 | = | 6.0 | Functional | ChEMBL | 253 | 1 | 2 | 6 | 1.7 | Clc1ccc2c(c1NC1=NCCN1)nsn2 | 10.1038/s41467-023-40064-9 | ||
| DB00697 | 3834 | 60 | None | -22 | 6 | Human | 6.0 | pAC50 | = | 6.0 | Functional | ChEMBL | 253 | 1 | 2 | 6 | 1.7 | Clc1ccc2c(c1NC1=NCCN1)nsn2 | 10.1038/s41467-023-40064-9 | ||
| 2105 | 3054 | 37 | None | -398 | 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 | -398 | 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 | -398 | 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 | -398 | 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 | -398 | 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 | ||
| 168294449 | 193018 | 0 | None | 50 | 2 | Human | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 367 | 7 | 4 | 5 | 1.9 | CC(CNC(=O)/N=C(\N)NCCCc1nnc(N)s1)C1CCCCC1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5204599 | 193018 | 0 | None | 50 | 2 | Human | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 367 | 7 | 4 | 5 | 1.9 | CC(CNC(=O)/N=C(\N)NCCCc1nnc(N)s1)C1CCCCC1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5222793 | 193018 | 0 | None | 50 | 2 | Human | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 367 | 7 | 4 | 5 | 1.9 | CC(CNC(=O)/N=C(\N)NCCCc1nnc(N)s1)C1CCCCC1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5093461 | 215553 | 0 | None | - | 1 | Human | 7.0 | pEC50 | = | 7 | Functional | ChEMBL | None | None | None | CC1(C)C(/C=C/C=C/C=C2\c3ccccc3C(C)(C)N2CCCCCC(=O)NCCCCCCCCNC(=O)/N=C(\N)NCCCc2nnc(N)s2)=[N+](CCCCS(=O)(=O)[O-])c2ccccc21 | 10.1016/j.bmcl.2021.128388 | ||||
| CHEMBL5095884 | 215553 | 0 | None | - | 1 | Human | 7.0 | pEC50 | = | 7 | Functional | ChEMBL | None | None | None | CC1(C)C(/C=C/C=C/C=C2\c3ccccc3C(C)(C)N2CCCCCC(=O)NCCCCCCCCNC(=O)/N=C(\N)NCCCc2nnc(N)s2)=[N+](CCCCS(=O)(=O)[O-])c2ccccc21 | 10.1016/j.bmcl.2021.128388 | ||||
| 164611342 | 185088 | 0 | None | -1 | 3 | Human | 7.0 | pEC50 | = | 7 | Functional | ChEMBL | 346 | 6 | 4 | 4 | 1.8 | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NCc1ccccc1 | 10.1016/j.ejmech.2021.113190 | ||
| CHEMBL4856005 | 185088 | 0 | None | -1 | 3 | Human | 7.0 | pEC50 | = | 7 | Functional | ChEMBL | 346 | 6 | 4 | 4 | 1.8 | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NCc1ccccc1 | 10.1016/j.ejmech.2021.113190 | ||
| 155559319 | 174863 | 0 | None | 13 | 2 | Human | 7.0 | pEC50 | = | 7 | Functional | ChEMBL | 239 | 1 | 1 | 3 | 3.2 | CC1CCCc2c(-c3ccccc3)nc(N)nc21 | 10.1021/acs.jmedchem.9b00241 | ||
| CHEMBL4563363 | 174863 | 0 | None | 13 | 2 | Human | 7.0 | pEC50 | = | 7 | Functional | ChEMBL | 239 | 1 | 1 | 3 | 3.2 | CC1CCCc2c(-c3ccccc3)nc(N)nc21 | 10.1021/acs.jmedchem.9b00241 | ||
| 168290815 | 192973 | 0 | None | 10 | 2 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 327 | 9 | 4 | 5 | 1.2 | CCCCCCNC(=O)/N=C(\N)NCCCc1nnc(N)s1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5200771 | 192973 | 0 | None | 10 | 2 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 327 | 9 | 4 | 5 | 1.2 | CCCCCCNC(=O)/N=C(\N)NCCCc1nnc(N)s1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5222529 | 192973 | 0 | None | 10 | 2 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 327 | 9 | 4 | 5 | 1.2 | CCCCCCNC(=O)/N=C(\N)NCCCc1nnc(N)s1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5083588 | 215534 | 0 | None | - | 1 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | None | None | None | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NCCCCCCCCNC(=O)CCCCCN1/C(=C/C=C/C=C/C2=[N+](CCCCS(=O)(=O)[O-])c3ccccc3C2(C)C)c2ccccc2C1(C)C | 10.1016/j.bmcl.2021.128388 | ||||
| CHEMBL5095633 | 215534 | 0 | None | - | 1 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | None | None | None | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NCCCCCCCCNC(=O)CCCCCN1/C(=C/C=C/C=C/C2=[N+](CCCCS(=O)(=O)[O-])c3ccccc3C2(C)C)c2ccccc2C1(C)C | 10.1016/j.bmcl.2021.128388 | ||||
| 1204 | 1932 | 119 | None | -64 | 10 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1016/j.bmcl.2021.128388 | ||
| 1247 | 1932 | 119 | None | -64 | 10 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1016/j.bmcl.2021.128388 | ||
| 1375 | 1932 | 119 | None | -64 | 10 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1016/j.bmcl.2021.128388 | ||
| 774 | 1932 | 119 | None | -64 | 10 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1016/j.bmcl.2021.128388 | ||
| CHEMBL90 | 1932 | 119 | None | -64 | 10 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1016/j.bmcl.2021.128388 | ||
| DB05381 | 1932 | 119 | None | -64 | 10 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1016/j.bmcl.2021.128388 | ||
| CHEMBL5075713 | 215529 | 0 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | None | None | None | CC1(C)C(/C=C/C=C/C=C2\c3ccccc3C(C)(C)N2CCCCCC(=O)NCCCCCCCCNC(=O)/N=C(\N)NCCCc2c[nH]cn2)=[N+](CCCCS(=O)(=O)[O-])c2ccccc21 | 10.1016/j.bmcl.2021.128388 | ||||
| CHEMBL5095559 | 215529 | 0 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | None | None | None | CC1(C)C(/C=C/C=C/C=C2\c3ccccc3C(C)(C)N2CCCCCC(=O)NCCCCCCCCNC(=O)/N=C(\N)NCCCc2c[nH]cn2)=[N+](CCCCS(=O)(=O)[O-])c2ccccc21 | 10.1016/j.bmcl.2021.128388 | ||||
| 1204 | 1932 | 119 | None | -64 | 10 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.1c00692 | ||
| 1247 | 1932 | 119 | None | -64 | 10 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.1c00692 | ||
| 1375 | 1932 | 119 | None | -64 | 10 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.1c00692 | ||
| 774 | 1932 | 119 | None | -64 | 10 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL90 | 1932 | 119 | None | -64 | 10 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.1c00692 | ||
| DB05381 | 1932 | 119 | None | -64 | 10 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.1c00692 | ||
| 168268853 | 192785 | 0 | None | - | 1 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 389 | 8 | 4 | 5 | 1.9 | Cc1ccc(CC(C)CNC(=O)/N=C(\N)NCCCc2nnc(N)s2)cc1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5180504 | 192785 | 0 | None | - | 1 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 389 | 8 | 4 | 5 | 1.9 | Cc1ccc(CC(C)CNC(=O)/N=C(\N)NCCCc2nnc(N)s2)cc1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5221353 | 192785 | 0 | None | - | 1 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 389 | 8 | 4 | 5 | 1.9 | Cc1ccc(CC(C)CNC(=O)/N=C(\N)NCCCc2nnc(N)s2)cc1 | 10.1021/acs.jmedchem.1c00692 | ||
| 46887041 | 8760 | 1 | None | -5 | 4 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 313 | 7 | 4 | 3 | 2.2 | C[C@H](CC(=O)NC(=N)NCCCc1c[nH]cn1)c1ccccc1 | 10.1016/j.bmcl.2010.03.082 | ||
| CHEMBL1096428 | 8760 | 1 | None | -5 | 4 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 313 | 7 | 4 | 3 | 2.2 | C[C@H](CC(=O)NC(=N)NCCCc1c[nH]cn1)c1ccccc1 | 10.1016/j.bmcl.2010.03.082 | ||
| CHEMBL5092267 | 215355 | 0 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | None | None | None | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NCCCCCCC[n+]1c(C)cc(/C=C/C=C/c2ccc(N(C)C)cc2)cc1C | 10.1016/j.bmcl.2021.128388 | ||||
| CHEMBL5075713 | 215529 | 0 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | None | None | None | CC1(C)C(/C=C/C=C/C=C2\c3ccccc3C(C)(C)N2CCCCCC(=O)NCCCCCCCCNC(=O)/N=C(\N)NCCCc2c[nH]cn2)=[N+](CCCCS(=O)(=O)[O-])c2ccccc21 | 10.1016/j.bmcl.2021.128388 | ||||
| CHEMBL5095559 | 215529 | 0 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | None | None | None | CC1(C)C(/C=C/C=C/C=C2\c3ccccc3C(C)(C)N2CCCCCC(=O)NCCCCCCCCNC(=O)/N=C(\N)NCCCc2c[nH]cn2)=[N+](CCCCS(=O)(=O)[O-])c2ccccc21 | 10.1016/j.bmcl.2021.128388 | ||||
| 1204 | 1932 | 119 | None | -64 | 10 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/jm900526h | ||
| 1247 | 1932 | 119 | None | -64 | 10 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/jm900526h | ||
| 1375 | 1932 | 119 | None | -64 | 10 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/jm900526h | ||
| 774 | 1932 | 119 | None | -64 | 10 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/jm900526h | ||
| CHEMBL90 | 1932 | 119 | None | -64 | 10 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/jm900526h | ||
| DB05381 | 1932 | 119 | None | -64 | 10 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/jm900526h | ||
| 1204 | 1932 | 119 | None | -64 | 10 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1039/C3MD00245D | ||
| 1247 | 1932 | 119 | None | -64 | 10 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1039/C3MD00245D | ||
| 1375 | 1932 | 119 | None | -64 | 10 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1039/C3MD00245D | ||
| 774 | 1932 | 119 | None | -64 | 10 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1039/C3MD00245D | ||
| CHEMBL90 | 1932 | 119 | None | -64 | 10 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1039/C3MD00245D | ||
| DB05381 | 1932 | 119 | None | -64 | 10 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1039/C3MD00245D | ||
| 44482302 | 5626 | 0 | None | - | 1 | Human | 4.9 | pEC50 | = | 4.9 | Functional | ChEMBL | 321 | 6 | 4 | 4 | 1.2 | Cc1ccc(S(=O)(=O)NC(=N)NCCCc2c[nH]cn2)cc1 | 10.1021/jm900526h | ||
| CHEMBL1077596 | 5626 | 0 | None | - | 1 | Human | 4.9 | pEC50 | = | 4.9 | Functional | ChEMBL | 321 | 6 | 4 | 4 | 1.2 | Cc1ccc(S(=O)(=O)NC(=N)NCCCc2c[nH]cn2)cc1 | 10.1021/jm900526h | ||
| 44481217 | 5794 | 0 | None | - | 1 | Human | 4.9 | pEC50 | = | 4.9 | Functional | ChEMBL | 335 | 8 | 4 | 4 | 1.0 | N=C(NCCCc1c[nH]cn1)NS(=O)(=O)CCc1ccccc1 | 10.1021/jm900526h | ||
| CHEMBL1078747 | 5794 | 0 | None | - | 1 | Human | 4.9 | pEC50 | = | 4.9 | Functional | ChEMBL | 335 | 8 | 4 | 4 | 1.0 | N=C(NCCCc1c[nH]cn1)NS(=O)(=O)CCc1ccccc1 | 10.1021/jm900526h | ||
| CHEMBL5090859 | 215283 | 0 | None | - | 1 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | None | None | None | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NCCCCCCCCCC[n+]1c(C)cc(/C=C/C=C/c2ccc(N(C)C)cc2)cc1C | 10.1016/j.bmcl.2021.128388 | ||||
| 1204 | 1932 | 119 | None | -64 | 10 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1016/j.bmcl.2010.03.082 | ||
| 1247 | 1932 | 119 | None | -64 | 10 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1016/j.bmcl.2010.03.082 | ||
| 1375 | 1932 | 119 | None | -64 | 10 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1016/j.bmcl.2010.03.082 | ||
| 774 | 1932 | 119 | None | -64 | 10 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1016/j.bmcl.2010.03.082 | ||
| CHEMBL90 | 1932 | 119 | None | -64 | 10 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1016/j.bmcl.2010.03.082 | ||
| DB05381 | 1932 | 119 | None | -64 | 10 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1016/j.bmcl.2010.03.082 | ||
| 1204 | 1932 | 119 | None | -64 | 10 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/jm201128q | ||
| 1247 | 1932 | 119 | None | -64 | 10 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/jm201128q | ||
| 1375 | 1932 | 119 | None | -64 | 10 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/jm201128q | ||
| 774 | 1932 | 119 | None | -64 | 10 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/jm201128q | ||
| CHEMBL90 | 1932 | 119 | None | -64 | 10 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/jm201128q | ||
| DB05381 | 1932 | 119 | None | -64 | 10 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/jm201128q | ||
| CHEMBL5083588 | 215534 | 0 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | None | None | None | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NCCCCCCCCNC(=O)CCCCCN1/C(=C/C=C/C=C/C2=[N+](CCCCS(=O)(=O)[O-])c3ccccc3C2(C)C)c2ccccc2C1(C)C | 10.1016/j.bmcl.2021.128388 | ||||
| CHEMBL5095633 | 215534 | 0 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | None | None | None | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NCCCCCCCCNC(=O)CCCCCN1/C(=C/C=C/C=C/C2=[N+](CCCCS(=O)(=O)[O-])c3ccccc3C2(C)C)c2ccccc2C1(C)C | 10.1016/j.bmcl.2021.128388 | ||||
| 168268853 | 192785 | 0 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 389 | 8 | 4 | 5 | 1.9 | Cc1ccc(CC(C)CNC(=O)/N=C(\N)NCCCc2nnc(N)s2)cc1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5180504 | 192785 | 0 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 389 | 8 | 4 | 5 | 1.9 | Cc1ccc(CC(C)CNC(=O)/N=C(\N)NCCCc2nnc(N)s2)cc1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5221353 | 192785 | 0 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 389 | 8 | 4 | 5 | 1.9 | Cc1ccc(CC(C)CNC(=O)/N=C(\N)NCCCc2nnc(N)s2)cc1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5077939 | 215541 | 0 | None | - | 1 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | None | None | None | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NCCCCCCCCNC(=O)CCCCCN1/C(=C/C=C/C=C/C2=[N+](CCCCS(=O)(=O)O)c3ccccc3C2(C)C)c2cc(S(=O)(=O)[O-])ccc2C1(C)C | 10.1016/j.bmcl.2021.128388 | ||||
| CHEMBL5095769 | 215541 | 0 | None | - | 1 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | None | None | None | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NCCCCCCCCNC(=O)CCCCCN1/C(=C/C=C/C=C/C2=[N+](CCCCS(=O)(=O)O)c3ccccc3C2(C)C)c2cc(S(=O)(=O)[O-])ccc2C1(C)C | 10.1016/j.bmcl.2021.128388 | ||||
| 13170764 | 175079 | 0 | None | 2 | 2 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 255 | 2 | 1 | 4 | 2.6 | COc1ccc(-c2nc(N)nc3c2CCCC3)cc1 | 10.1021/acs.jmedchem.9b00241 | ||
| CHEMBL4568452 | 175079 | 0 | None | 2 | 2 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 255 | 2 | 1 | 4 | 2.6 | COc1ccc(-c2nc(N)nc3c2CCCC3)cc1 | 10.1021/acs.jmedchem.9b00241 | ||
| 168294449 | 193018 | 0 | None | 50 | 2 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 367 | 7 | 4 | 5 | 1.9 | CC(CNC(=O)/N=C(\N)NCCCc1nnc(N)s1)C1CCCCC1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5204599 | 193018 | 0 | None | 50 | 2 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 367 | 7 | 4 | 5 | 1.9 | CC(CNC(=O)/N=C(\N)NCCCc1nnc(N)s1)C1CCCCC1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5222793 | 193018 | 0 | None | 50 | 2 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 367 | 7 | 4 | 5 | 1.9 | CC(CNC(=O)/N=C(\N)NCCCc1nnc(N)s1)C1CCCCC1 | 10.1021/acs.jmedchem.1c00692 | ||
| 56954513 | 82083 | 0 | None | - | 1 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 578 | 17 | 6 | 8 | 2.6 | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)CCCCCCCCC(=O)/N=C(\N)NCCCc1cnc(N)s1 | 10.1021/jm201128q | ||
| CHEMBL2165645 | 82083 | 0 | None | - | 1 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 578 | 17 | 6 | 8 | 2.6 | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)CCCCCCCCC(=O)/N=C(\N)NCCCc1cnc(N)s1 | 10.1021/jm201128q | ||
| CHEMBL5092102 | 215346 | 0 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | None | None | None | NCCCCCCCCNC(=O)/N=C(\N)NCCCc1c[nH]cn1 | 10.1016/j.bmcl.2021.128388 | ||||
| 164611757 | 184903 | 0 | None | 3 | 3 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 402 | 8 | 4 | 4 | 2.8 | Cc1ccc(CC(C)CNC(=O)/N=C(\N)NCCCc2sc(N)nc2C)cc1 | 10.1016/j.ejmech.2021.113190 | ||
| CHEMBL4853107 | 184903 | 0 | None | 3 | 3 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 402 | 8 | 4 | 4 | 2.8 | Cc1ccc(CC(C)CNC(=O)/N=C(\N)NCCCc2sc(N)nc2C)cc1 | 10.1016/j.ejmech.2021.113190 | ||
| 168294449 | 193018 | 0 | None | 50 | 2 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 367 | 7 | 4 | 5 | 1.9 | CC(CNC(=O)/N=C(\N)NCCCc1nnc(N)s1)C1CCCCC1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5204599 | 193018 | 0 | None | 50 | 2 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 367 | 7 | 4 | 5 | 1.9 | CC(CNC(=O)/N=C(\N)NCCCc1nnc(N)s1)C1CCCCC1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5222793 | 193018 | 0 | None | 50 | 2 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 367 | 7 | 4 | 5 | 1.9 | CC(CNC(=O)/N=C(\N)NCCCc1nnc(N)s1)C1CCCCC1 | 10.1021/acs.jmedchem.1c00692 | ||
| 168295528 | 193031 | 0 | None | 31 | 9 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 333 | 6 | 4 | 5 | 0.9 | N/C(=N\C(=O)NCc1ccccc1)NCCCc1nnc(N)s1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5206565 | 193031 | 0 | None | 31 | 9 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 333 | 6 | 4 | 5 | 0.9 | N/C(=N\C(=O)NCc1ccccc1)NCCCc1nnc(N)s1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5222872 | 193031 | 0 | None | 31 | 9 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 333 | 6 | 4 | 5 | 0.9 | N/C(=N\C(=O)NCc1ccccc1)NCCCc1nnc(N)s1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5085542 | 214972 | 0 | None | - | 1 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | None | None | None | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NCCCCCCCC[n+]1c(C)cc(/C=C/C=C/c2ccc(N(C)C)cc2)cc1C | 10.1016/j.bmcl.2021.128388 | ||||
| 13170764 | 175079 | 0 | None | 2 | 2 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 255 | 2 | 1 | 4 | 2.6 | COc1ccc(-c2nc(N)nc3c2CCCC3)cc1 | 10.1021/acs.jmedchem.9b00241 | ||
| CHEMBL4568452 | 175079 | 0 | None | 2 | 2 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 255 | 2 | 1 | 4 | 2.6 | COc1ccc(-c2nc(N)nc3c2CCCC3)cc1 | 10.1021/acs.jmedchem.9b00241 | ||
| 1204 | 1932 | 119 | None | -64 | 10 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1016/j.bmcl.2021.128388 | ||
| 1247 | 1932 | 119 | None | -64 | 10 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1016/j.bmcl.2021.128388 | ||
| 1375 | 1932 | 119 | None | -64 | 10 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1016/j.bmcl.2021.128388 | ||
| 774 | 1932 | 119 | None | -64 | 10 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1016/j.bmcl.2021.128388 | ||
| CHEMBL90 | 1932 | 119 | None | -64 | 10 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1016/j.bmcl.2021.128388 | ||
| DB05381 | 1932 | 119 | None | -64 | 10 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1016/j.bmcl.2021.128388 | ||
| 44481489 | 5713 | 0 | None | -18 | 2 | Human | 4.9 | pEC50 | = | 4.9 | Functional | ChEMBL | 310 | 8 | 3 | 3 | 2.0 | N#C/N=C(\NCCCc1ccccc1)NCCCc1c[nH]cn1 | 10.1021/jm900526h | ||
| CHEMBL1078210 | 5713 | 0 | None | -18 | 2 | Human | 4.9 | pEC50 | = | 4.9 | Functional | ChEMBL | 310 | 8 | 3 | 3 | 2.0 | N#C/N=C(\NCCCc1ccccc1)NCCCc1c[nH]cn1 | 10.1021/jm900526h | ||
| CHEMBL5088914 | 215562 | 0 | None | - | 1 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | None | None | None | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NCCCCCCCCCCNC(=O)CCCCCN1/C(=C/C=C/C=C/C2=[N+](CCCCS(=O)(=O)[O-])c3ccccc3C2(C)C)c2ccccc2C1(C)C | 10.1016/j.bmcl.2021.128388 | ||||
| CHEMBL5095949 | 215562 | 0 | None | - | 1 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | None | None | None | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NCCCCCCCCCCNC(=O)CCCCCN1/C(=C/C=C/C=C/C2=[N+](CCCCS(=O)(=O)[O-])c3ccccc3C2(C)C)c2ccccc2C1(C)C | 10.1016/j.bmcl.2021.128388 | ||||
| 164628701 | 186467 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 338 | 5 | 4 | 4 | 1.9 | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NC1CCCCC1 | 10.1016/j.ejmech.2021.113190 | ||
| CHEMBL4876743 | 186467 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 338 | 5 | 4 | 4 | 1.9 | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NC1CCCCC1 | 10.1016/j.ejmech.2021.113190 | ||
| 164626370 | 186473 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 338 | 6 | 4 | 4 | 1.8 | CCCCCCNC(=O)/N=C(\N)NC1CCc2nc(N)sc2C1 | 10.1016/j.ejmech.2021.113190 | ||
| CHEMBL4876799 | 186473 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 338 | 6 | 4 | 4 | 1.8 | CCCCCCNC(=O)/N=C(\N)NC1CCc2nc(N)sc2C1 | 10.1016/j.ejmech.2021.113190 | ||
| 56954517 | 82066 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 502 | 17 | 6 | 6 | 0.5 | N/C(=N\C(=O)CCCCCCCCC(=O)/N=C(\N)NCCCc1ncn[nH]1)NCCCc1ncn[nH]1 | 10.1021/jm201128q | ||
| CHEMBL2165629 | 82066 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 502 | 17 | 6 | 6 | 0.5 | N/C(=N\C(=O)CCCCCCCCC(=O)/N=C(\N)NCCCc1ncn[nH]1)NCCCc1ncn[nH]1 | 10.1021/jm201128q | ||
| 164614645 | 185132 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 402 | 8 | 4 | 4 | 3.0 | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NCC(c1ccccc1)C(C)C | 10.1016/j.ejmech.2021.113190 | ||
| CHEMBL4856572 | 185132 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 402 | 8 | 4 | 4 | 3.0 | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NCC(c1ccccc1)C(C)C | 10.1016/j.ejmech.2021.113190 | ||
| 1204 | 1932 | 119 | None | -64 | 10 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acsmedchemlett.0c00033 | ||
| 1247 | 1932 | 119 | None | -64 | 10 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acsmedchemlett.0c00033 | ||
| 1375 | 1932 | 119 | None | -64 | 10 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acsmedchemlett.0c00033 | ||
| 774 | 1932 | 119 | None | -64 | 10 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acsmedchemlett.0c00033 | ||
| CHEMBL90 | 1932 | 119 | None | -64 | 10 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acsmedchemlett.0c00033 | ||
| DB05381 | 1932 | 119 | None | -64 | 10 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acsmedchemlett.0c00033 | ||
| 56954002 | 82070 | 0 | None | - | 1 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 620 | 19 | 6 | 8 | 3.7 | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)CCCCCCCCCCC(=O)/N=C(\N)NCCCc1sc(N)nc1C | 10.1021/jm201128q | ||
| CHEMBL2165633 | 82070 | 0 | None | - | 1 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 620 | 19 | 6 | 8 | 3.7 | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)CCCCCCCCCCC(=O)/N=C(\N)NCCCc1sc(N)nc1C | 10.1021/jm201128q | ||
| 44414337 | 80139 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 945 | 24 | 3 | 9 | 8.3 | CC1(C)C(/C=C/C=C/C=C2/N(CCCCCC(=O)NCC/N=C(\NC#N)NCCCOc3cccc(CN4CCCCC4)c3)c3ccccc3C2(C)C)=[N+](CCCCS(=O)(=O)[O-])c2ccccc21 | 10.1016/j.bmcl.2006.05.039 | ||
| CHEMBL213357 | 80139 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 945 | 24 | 3 | 9 | 8.3 | CC1(C)C(/C=C/C=C/C=C2/N(CCCCCC(=O)NCC/N=C(\NC#N)NCCCOc3cccc(CN4CCCCC4)c3)c3ccccc3C2(C)C)=[N+](CCCCS(=O)(=O)[O-])c2ccccc21 | 10.1016/j.bmcl.2006.05.039 | ||
| 90667237 | 109475 | 0 | None | - | 1 | Human | 4.8 | pEC50 | = | 4.8 | Functional | ChEMBL | 356 | 9 | 3 | 4 | 2.8 | Cc1nc(CCCCN/C(=N\C#N)NCCSc2ccccc2)c[nH]1 | 10.1039/C3MD00245D | ||
| CHEMBL3220638 | 109475 | 0 | None | - | 1 | Human | 4.8 | pEC50 | = | 4.8 | Functional | ChEMBL | 356 | 9 | 3 | 4 | 2.8 | Cc1nc(CCCCN/C(=N\C#N)NCCSc2ccccc2)c[nH]1 | 10.1039/C3MD00245D | ||
| 164622190 | 185616 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 360 | 7 | 4 | 4 | 1.8 | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NCCc1ccccc1 | 10.1016/j.ejmech.2021.113190 | ||
| CHEMBL4864067 | 185616 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 360 | 7 | 4 | 4 | 1.8 | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NCCc1ccccc1 | 10.1016/j.ejmech.2021.113190 | ||
| 119570 | 3159 | 96 | None | -602 | 11 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 211 | 3 | 2 | 4 | 1.6 | CCCN[C@H]1CCc2c(C1)sc(n2)N | 10.1021/acs.jmedchem.1c00692 | ||
| 2233 | 3159 | 96 | None | -602 | 11 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 211 | 3 | 2 | 4 | 1.6 | CCCN[C@H]1CCc2c(C1)sc(n2)N | 10.1021/acs.jmedchem.1c00692 | ||
| 953 | 3159 | 96 | None | -602 | 11 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 211 | 3 | 2 | 4 | 1.6 | CCCN[C@H]1CCc2c(C1)sc(n2)N | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL301265 | 3159 | 96 | None | -602 | 11 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 211 | 3 | 2 | 4 | 1.6 | CCCN[C@H]1CCc2c(C1)sc(n2)N | 10.1021/acs.jmedchem.1c00692 | ||
| DB00413 | 3159 | 96 | None | -602 | 11 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 211 | 3 | 2 | 4 | 1.6 | CCCN[C@H]1CCc2c(C1)sc(n2)N | 10.1021/acs.jmedchem.1c00692 | ||
| 164627189 | 186321 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 298 | 6 | 4 | 4 | 1.0 | CCCNC(=O)/N=C(\N)NCCCc1sc(N)nc1C | 10.1016/j.ejmech.2021.113190 | ||
| CHEMBL4874758 | 186321 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 298 | 6 | 4 | 4 | 1.0 | CCCNC(=O)/N=C(\N)NCCCc1sc(N)nc1C | 10.1016/j.ejmech.2021.113190 | ||
| 164610892 | 185198 | 0 | None | 4 | 3 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 394 | 8 | 4 | 4 | 3.2 | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NCC(C)CC1CCCCC1 | 10.1016/j.ejmech.2021.113190 | ||
| CHEMBL4857560 | 185198 | 0 | None | 4 | 3 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 394 | 8 | 4 | 4 | 3.2 | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NCC(C)CC1CCCCC1 | 10.1016/j.ejmech.2021.113190 | ||
| 164612037 | 185377 | 0 | None | -11 | 11 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 326 | 8 | 4 | 4 | 1.8 | CCCCCNC(=O)/N=C(\N)NCCCc1sc(N)nc1C | 10.1016/j.ejmech.2021.113190 | ||
| CHEMBL4860528 | 185377 | 0 | None | -11 | 11 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 326 | 8 | 4 | 4 | 1.8 | CCCCCNC(=O)/N=C(\N)NCCCc1sc(N)nc1C | 10.1016/j.ejmech.2021.113190 | ||
| 164627189 | 186321 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 298 | 6 | 4 | 4 | 1.0 | CCCNC(=O)/N=C(\N)NCCCc1sc(N)nc1C | 10.1016/j.ejmech.2021.113190 | ||
| CHEMBL4874758 | 186321 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 298 | 6 | 4 | 4 | 1.0 | CCCNC(=O)/N=C(\N)NCCCc1sc(N)nc1C | 10.1016/j.ejmech.2021.113190 | ||
| 46887042 | 8762 | 0 | None | -6 | 4 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 319 | 7 | 4 | 3 | 2.6 | C[C@H](CC(=O)NC(=N)NCCCc1c[nH]cn1)C1CCCCC1 | 10.1016/j.bmcl.2010.03.082 | ||
| CHEMBL1096430 | 8762 | 0 | None | -6 | 4 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 319 | 7 | 4 | 3 | 2.6 | C[C@H](CC(=O)NC(=N)NCCCc1c[nH]cn1)C1CCCCC1 | 10.1016/j.bmcl.2010.03.082 | ||
| CHEMBL5094663 | 215506 | 0 | None | - | 1 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | None | None | None | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NCCCCCCNC(=O)CCCCCN1/C(=C/C=C/C=C/C2=[N+](C)c3ccccc3C2(C)C)c2ccccc2C1(C)C | 10.1016/j.bmcl.2021.128388 | ||||
| 168273640 | 192805 | 0 | None | 4 | 3 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 568 | 15 | 8 | 10 | -0.1 | N/C(=N\C(=O)NCCCCCCNC(=O)/N=C(\N)NCCCc1nnc(N)s1)NCCCc1nnc(N)s1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5176229 | 192805 | 0 | None | 4 | 3 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 568 | 15 | 8 | 10 | -0.1 | N/C(=N\C(=O)NCCCCCCNC(=O)/N=C(\N)NCCCc1nnc(N)s1)NCCCc1nnc(N)s1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5221444 | 192805 | 0 | None | 4 | 3 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 568 | 15 | 8 | 10 | -0.1 | N/C(=N\C(=O)NCCCCCCNC(=O)/N=C(\N)NCCCc1nnc(N)s1)NCCCc1nnc(N)s1 | 10.1021/acs.jmedchem.1c00692 | ||
| 168295541 | 193040 | 0 | None | 14 | 2 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 347 | 6 | 4 | 5 | 1.4 | C[C@@H](NC(=O)/N=C(\N)NCCCc1nnc(N)s1)c1ccccc1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5208845 | 193040 | 0 | None | 14 | 2 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 347 | 6 | 4 | 5 | 1.4 | C[C@@H](NC(=O)/N=C(\N)NCCCc1nnc(N)s1)c1ccccc1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5222926 | 193040 | 0 | None | 14 | 2 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 347 | 6 | 4 | 5 | 1.4 | C[C@@H](NC(=O)/N=C(\N)NCCCc1nnc(N)s1)c1ccccc1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5094663 | 215506 | 0 | None | - | 1 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | None | None | None | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NCCCCCCNC(=O)CCCCCN1/C(=C/C=C/C=C/C2=[N+](C)c3ccccc3C2(C)C)c2ccccc2C1(C)C | 10.1016/j.bmcl.2021.128388 | ||||
| 126688 | 404 | 33 | None | 57 | 2 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 157 | 2 | 2 | 4 | 0.5 | NCCc1sc(nc1C)N | 10.1021/jm201128q | ||
| 4025 | 404 | 33 | None | 57 | 2 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 157 | 2 | 2 | 4 | 0.5 | NCCc1sc(nc1C)N | 10.1021/jm201128q | ||
| CHEMBL293762 | 404 | 33 | None | 57 | 2 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 157 | 2 | 2 | 4 | 0.5 | NCCc1sc(nc1C)N | 10.1021/jm201128q | ||
| CHEMBL5092102 | 215346 | 0 | None | - | 1 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | None | None | None | NCCCCCCCCNC(=O)/N=C(\N)NCCCc1c[nH]cn1 | 10.1016/j.bmcl.2021.128388 | ||||
| 44481214 | 5736 | 0 | None | - | 1 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 314 | 7 | 4 | 2 | 1.2 | NC(=O)/N=C(/NCCCc1ccccc1)NCCc1c[nH]cn1 | 10.1021/jm900526h | ||
| CHEMBL1078358 | 5736 | 0 | None | - | 1 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 314 | 7 | 4 | 2 | 1.2 | NC(=O)/N=C(/NCCCc1ccccc1)NCCc1c[nH]cn1 | 10.1021/jm900526h | ||
| 46887080 | 8545 | 0 | None | - | 1 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 365 | 7 | 4 | 5 | 3.2 | Cc1nc(N)sc1CCCNC(=N)NC(=O)C[C@@H](C)C1CCCCC1 | 10.1016/j.bmcl.2010.03.082 | ||
| CHEMBL1094452 | 8545 | 0 | None | - | 1 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 365 | 7 | 4 | 5 | 3.2 | Cc1nc(N)sc1CCCNC(=N)NC(=O)C[C@@H](C)C1CCCCC1 | 10.1016/j.bmcl.2010.03.082 | ||
| 71458814 | 82084 | 0 | None | - | 1 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 345 | 7 | 3 | 4 | 2.0 | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)CCc1ccccc1 | 10.1021/jm201128q | ||
| CHEMBL2165646 | 82084 | 0 | None | - | 1 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 345 | 7 | 3 | 4 | 2.0 | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)CCc1ccccc1 | 10.1021/jm201128q | ||
| CHEMBL5076746 | 215525 | 0 | None | - | 1 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | None | None | None | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NCCCCCCNC(=O)CCCCCN1/C(=C/C=C/C=C/C2=[N+](CCCCS(N)(=O)=O)c3ccccc3C2(C)C)c2cc(S(=O)(=O)[O-])ccc2C1(C)C | 10.1016/j.bmcl.2021.128388 | ||||
| CHEMBL5095519 | 215525 | 0 | None | - | 1 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | None | None | None | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NCCCCCCNC(=O)CCCCCN1/C(=C/C=C/C=C/C2=[N+](CCCCS(N)(=O)=O)c3ccccc3C2(C)C)c2cc(S(=O)(=O)[O-])ccc2C1(C)C | 10.1016/j.bmcl.2021.128388 | ||||
| CHEMBL5075106 | 215527 | 0 | None | - | 1 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | None | None | None | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NCCCCCCCCCCNC(=O)CCCCCN1/C(=C/C=C/C=C/C2=[N+](CCCCS(=O)(=O)O)c3ccccc3C2(C)C)c2cc(S(=O)(=O)[O-])ccc2C1(C)C | 10.1016/j.bmcl.2021.128388 | ||||
| CHEMBL5095549 | 215527 | 0 | None | - | 1 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | None | None | None | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NCCCCCCCCCCNC(=O)CCCCCN1/C(=C/C=C/C=C/C2=[N+](CCCCS(=O)(=O)O)c3ccccc3C2(C)C)c2cc(S(=O)(=O)[O-])ccc2C1(C)C | 10.1016/j.bmcl.2021.128388 | ||||
| 56954227 | 82074 | 0 | None | - | 1 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 564 | 17 | 6 | 8 | 2.3 | N/C(=N\C(=O)CCCCCCCCC(=O)/N=C(\N)NCCCc1cnc(N)s1)NCCCc1cnc(N)s1 | 10.1021/jm201128q | ||
| CHEMBL2165637 | 82074 | 0 | None | - | 1 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 564 | 17 | 6 | 8 | 2.3 | N/C(=N\C(=O)CCCCCCCCC(=O)/N=C(\N)NCCCc1cnc(N)s1)NCCCc1cnc(N)s1 | 10.1021/jm201128q | ||
| 164608815 | 184454 | 0 | None | 3 | 3 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 380 | 7 | 4 | 4 | 2.8 | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NCC(C)C1CCCCC1 | 10.1016/j.ejmech.2021.113190 | ||
| CHEMBL4846638 | 184454 | 0 | None | 3 | 3 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 380 | 7 | 4 | 4 | 2.8 | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NCC(C)C1CCCCC1 | 10.1016/j.ejmech.2021.113190 | ||
| 155544816 | 175033 | 0 | None | 2 | 2 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 269 | 2 | 1 | 4 | 2.9 | COc1ccc(-c2nc(N)nc3c2CC(C)CC3)cc1 | 10.1021/acs.jmedchem.9b00241 | ||
| CHEMBL4567405 | 175033 | 0 | None | 2 | 2 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 269 | 2 | 1 | 4 | 2.9 | COc1ccc(-c2nc(N)nc3c2CC(C)CC3)cc1 | 10.1021/acs.jmedchem.9b00241 | ||
| 56954318 | 82078 | 0 | None | -2 | 2 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 444 | 13 | 6 | 4 | 0.1 | N/C(=N\C(=O)CCCCC(=O)/N=C(\N)NCCCc1c[nH]cn1)NCCCc1c[nH]cn1 | 10.1021/jm201128q | ||
| CHEMBL2165640 | 82078 | 0 | None | -2 | 2 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 444 | 13 | 6 | 4 | 0.1 | N/C(=N\C(=O)CCCCC(=O)/N=C(\N)NCCCc1c[nH]cn1)NCCCc1c[nH]cn1 | 10.1021/jm201128q | ||
| 164627774 | 186565 | 0 | None | - | 1 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 344 | 3 | 4 | 4 | 1.4 | N/C(=N\C(=O)NCc1ccccc1)NC1CCc2nc(N)sc2C1 | 10.1016/j.ejmech.2021.113190 | ||
| CHEMBL4878215 | 186565 | 0 | None | - | 1 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 344 | 3 | 4 | 4 | 1.4 | N/C(=N\C(=O)NCc1ccccc1)NC1CCc2nc(N)sc2C1 | 10.1016/j.ejmech.2021.113190 | ||
| 155544816 | 175033 | 0 | None | 2 | 2 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 269 | 2 | 1 | 4 | 2.9 | COc1ccc(-c2nc(N)nc3c2CC(C)CC3)cc1 | 10.1021/acs.jmedchem.9b00241 | ||
| CHEMBL4567405 | 175033 | 0 | None | 2 | 2 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 269 | 2 | 1 | 4 | 2.9 | COc1ccc(-c2nc(N)nc3c2CC(C)CC3)cc1 | 10.1021/acs.jmedchem.9b00241 | ||
| 164608815 | 184454 | 0 | None | 3 | 3 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 380 | 7 | 4 | 4 | 2.8 | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NCC(C)C1CCCCC1 | 10.1016/j.ejmech.2021.113190 | ||
| CHEMBL4846638 | 184454 | 0 | None | 3 | 3 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 380 | 7 | 4 | 4 | 2.8 | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NCC(C)C1CCCCC1 | 10.1016/j.ejmech.2021.113190 | ||
| 168286426 | 192926 | 0 | None | 5 | 2 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 403 | 10 | 4 | 5 | 2.3 | CC(CCCc1ccccc1)CNC(=O)/N=C(\N)NCCCc1nnc(N)s1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5198795 | 192926 | 0 | None | 5 | 2 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 403 | 10 | 4 | 5 | 2.3 | CC(CCCc1ccccc1)CNC(=O)/N=C(\N)NCCCc1nnc(N)s1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5222241 | 192926 | 0 | None | 5 | 2 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 403 | 10 | 4 | 5 | 2.3 | CC(CCCc1ccccc1)CNC(=O)/N=C(\N)NCCCc1nnc(N)s1 | 10.1021/acs.jmedchem.1c00692 | ||
| 164609493 | 184436 | 0 | None | -2 | 3 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 350 | 6 | 4 | 5 | 1.9 | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NC(C)c1ccco1 | 10.1016/j.ejmech.2021.113190 | ||
| CHEMBL4846380 | 184436 | 0 | None | -2 | 3 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 350 | 6 | 4 | 5 | 1.9 | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NC(C)c1ccco1 | 10.1016/j.ejmech.2021.113190 | ||
| 168292954 | 192997 | 0 | None | 7 | 3 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 388 | 8 | 4 | 4 | 2.5 | Cc1ccc(CC(C)CNC(=O)/N=C(\N)NCCCc2cnc(N)s2)cc1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5202592 | 192997 | 0 | None | 7 | 3 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 388 | 8 | 4 | 4 | 2.5 | Cc1ccc(CC(C)CNC(=O)/N=C(\N)NCCCc2cnc(N)s2)cc1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5222660 | 192997 | 0 | None | 7 | 3 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 388 | 8 | 4 | 4 | 2.5 | Cc1ccc(CC(C)CNC(=O)/N=C(\N)NCCCc2cnc(N)s2)cc1 | 10.1021/acs.jmedchem.1c00692 | ||
| 168294767 | 193019 | 0 | None | 40 | 10 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 313 | 8 | 4 | 5 | 0.9 | CCCCCNC(=O)/N=C(\N)NCCCc1nnc(N)s1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5207281 | 193019 | 0 | None | 40 | 10 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 313 | 8 | 4 | 5 | 0.9 | CCCCCNC(=O)/N=C(\N)NCCCc1nnc(N)s1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5222802 | 193019 | 0 | None | 40 | 10 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 313 | 8 | 4 | 5 | 0.9 | CCCCCNC(=O)/N=C(\N)NCCCc1nnc(N)s1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5075106 | 215527 | 0 | None | - | 1 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | None | None | None | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NCCCCCCCCCCNC(=O)CCCCCN1/C(=C/C=C/C=C/C2=[N+](CCCCS(=O)(=O)O)c3ccccc3C2(C)C)c2cc(S(=O)(=O)[O-])ccc2C1(C)C | 10.1016/j.bmcl.2021.128388 | ||||
| CHEMBL5095549 | 215527 | 0 | None | - | 1 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | None | None | None | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NCCCCCCCCCCNC(=O)CCCCCN1/C(=C/C=C/C=C/C2=[N+](CCCCS(=O)(=O)O)c3ccccc3C2(C)C)c2cc(S(=O)(=O)[O-])ccc2C1(C)C | 10.1016/j.bmcl.2021.128388 | ||||
| 56954425 | 82081 | 0 | None | 13 | 2 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 584 | 23 | 6 | 4 | 4.0 | N/C(=N\C(=O)CCCCCCCCCCCCCCC(=O)/N=C(\N)NCCCc1c[nH]cn1)NCCCc1c[nH]cn1 | 10.1021/jm201128q | ||
| CHEMBL2165643 | 82081 | 0 | None | 13 | 2 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 584 | 23 | 6 | 4 | 4.0 | N/C(=N\C(=O)CCCCCCCCCCCCCCC(=O)/N=C(\N)NCCCc1c[nH]cn1)NCCCc1c[nH]cn1 | 10.1021/jm201128q | ||
| 155523256 | 170746 | 0 | None | -3 | 2 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 269 | 2 | 1 | 4 | 3.2 | COc1cccc(-c2nc(N)nc3c2CCCC3C)c1 | 10.1021/acs.jmedchem.9b00241 | ||
| CHEMBL4452406 | 170746 | 0 | None | -3 | 2 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 269 | 2 | 1 | 4 | 3.2 | COc1cccc(-c2nc(N)nc3c2CCCC3C)c1 | 10.1021/acs.jmedchem.9b00241 | ||
| 56954125 | 82071 | 0 | None | - | 1 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 676 | 23 | 6 | 8 | 5.3 | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)CCCCCCCCCCCCCCC(=O)/N=C(\N)NCCCc1sc(N)nc1C | 10.1021/jm201128q | ||
| CHEMBL2165634 | 82071 | 0 | None | - | 1 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 676 | 23 | 6 | 8 | 5.3 | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)CCCCCCCCCCCCCCC(=O)/N=C(\N)NCCCc1sc(N)nc1C | 10.1021/jm201128q | ||
| 168290235 | 192968 | 0 | None | 9 | 9 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 315 | 6 | 4 | 3 | 1.1 | C[C@@H](NC(=O)/N=C(\N)NCCCc1ncn[nH]1)c1ccccc1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5201074 | 192968 | 0 | None | 9 | 9 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 315 | 6 | 4 | 3 | 1.1 | C[C@@H](NC(=O)/N=C(\N)NCCCc1ncn[nH]1)c1ccccc1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5222491 | 192968 | 0 | None | 9 | 9 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 315 | 6 | 4 | 3 | 1.1 | C[C@@H](NC(=O)/N=C(\N)NCCCc1ncn[nH]1)c1ccccc1 | 10.1021/acs.jmedchem.1c00692 | ||
| 168294767 | 193019 | 0 | None | 40 | 10 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 313 | 8 | 4 | 5 | 0.9 | CCCCCNC(=O)/N=C(\N)NCCCc1nnc(N)s1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5207281 | 193019 | 0 | None | 40 | 10 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 313 | 8 | 4 | 5 | 0.9 | CCCCCNC(=O)/N=C(\N)NCCCc1nnc(N)s1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5222802 | 193019 | 0 | None | 40 | 10 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 313 | 8 | 4 | 5 | 0.9 | CCCCCNC(=O)/N=C(\N)NCCCc1nnc(N)s1 | 10.1021/acs.jmedchem.1c00692 | ||
| 155523256 | 170746 | 0 | None | -3 | 2 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 269 | 2 | 1 | 4 | 3.2 | COc1cccc(-c2nc(N)nc3c2CCCC3C)c1 | 10.1021/acs.jmedchem.9b00241 | ||
| CHEMBL4452406 | 170746 | 0 | None | -3 | 2 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 269 | 2 | 1 | 4 | 3.2 | COc1cccc(-c2nc(N)nc3c2CCCC3C)c1 | 10.1021/acs.jmedchem.9b00241 | ||
| CHEMBL5092267 | 215355 | 0 | None | - | 1 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | None | None | None | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NCCCCCCC[n+]1c(C)cc(/C=C/C=C/c2ccc(N(C)C)cc2)cc1C | 10.1016/j.bmcl.2021.128388 | ||||
| 164609017 | 184425 | 0 | None | -6 | 3 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 416 | 10 | 4 | 4 | 3.2 | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NCC(C)CCCc1ccccc1 | 10.1016/j.ejmech.2021.113190 | ||
| CHEMBL4846201 | 184425 | 0 | None | -6 | 3 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 416 | 10 | 4 | 4 | 3.2 | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NCC(C)CCCc1ccccc1 | 10.1016/j.ejmech.2021.113190 | ||
| CHEMBL5093461 | 215553 | 0 | None | - | 1 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | None | None | None | CC1(C)C(/C=C/C=C/C=C2\c3ccccc3C(C)(C)N2CCCCCC(=O)NCCCCCCCCNC(=O)/N=C(\N)NCCCc2nnc(N)s2)=[N+](CCCCS(=O)(=O)[O-])c2ccccc21 | 10.1016/j.bmcl.2021.128388 | ||||
| CHEMBL5095884 | 215553 | 0 | None | - | 1 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | None | None | None | CC1(C)C(/C=C/C=C/C=C2\c3ccccc3C(C)(C)N2CCCCCC(=O)NCCCCCCCCNC(=O)/N=C(\N)NCCCc2nnc(N)s2)=[N+](CCCCS(=O)(=O)[O-])c2ccccc21 | 10.1016/j.bmcl.2021.128388 | ||||
| 164617783 | 184590 | 0 | None | -2 | 3 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 388 | 8 | 4 | 4 | 2.8 | CCC(CNC(=O)/N=C(\N)NCCCc1sc(N)nc1C)c1ccccc1 | 10.1016/j.ejmech.2021.113190 | ||
| CHEMBL4848815 | 184590 | 0 | None | -2 | 3 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 388 | 8 | 4 | 4 | 2.8 | CCC(CNC(=O)/N=C(\N)NCCCc1sc(N)nc1C)c1ccccc1 | 10.1016/j.ejmech.2021.113190 | ||
| 46887078 | 9004 | 0 | None | - | 1 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 359 | 7 | 4 | 5 | 2.8 | Cc1nc(N)sc1CCCNC(=N)NC(=O)C[C@H](C)c1ccccc1 | 10.1016/j.bmcl.2010.03.082 | ||
| CHEMBL1098442 | 9004 | 0 | None | - | 1 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 359 | 7 | 4 | 5 | 2.8 | Cc1nc(N)sc1CCCNC(=N)NC(=O)C[C@H](C)c1ccccc1 | 10.1016/j.bmcl.2010.03.082 | ||
| 46887115 | 8511 | 0 | None | 47 | 3 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 365 | 7 | 4 | 5 | 3.2 | Cc1nc(N)sc1CCCNC(=N)NC(=O)C[C@H](C)C1CCCCC1 | 10.1016/j.bmcl.2010.03.082 | ||
| CHEMBL1094144 | 8511 | 0 | None | 47 | 3 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 365 | 7 | 4 | 5 | 3.2 | Cc1nc(N)sc1CCCNC(=N)NC(=O)C[C@H](C)C1CCCCC1 | 10.1016/j.bmcl.2010.03.082 | ||
| 164617783 | 184590 | 0 | None | -2 | 3 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 388 | 8 | 4 | 4 | 2.8 | CCC(CNC(=O)/N=C(\N)NCCCc1sc(N)nc1C)c1ccccc1 | 10.1016/j.ejmech.2021.113190 | ||
| CHEMBL4848815 | 184590 | 0 | None | -2 | 3 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 388 | 8 | 4 | 4 | 2.8 | CCC(CNC(=O)/N=C(\N)NCCCc1sc(N)nc1C)c1ccccc1 | 10.1016/j.ejmech.2021.113190 | ||
| 164611342 | 185088 | 0 | None | -1 | 3 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 346 | 6 | 4 | 4 | 1.8 | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NCc1ccccc1 | 10.1016/j.ejmech.2021.113190 | ||
| CHEMBL4856005 | 185088 | 0 | None | -1 | 3 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 346 | 6 | 4 | 4 | 1.8 | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NCc1ccccc1 | 10.1016/j.ejmech.2021.113190 | ||
| 164620704 | 186083 | 0 | None | - | 1 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 416 | 8 | 4 | 4 | 3.5 | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NCC(C)c1ccc(C(C)C)cc1 | 10.1016/j.ejmech.2021.113190 | ||
| CHEMBL4871482 | 186083 | 0 | None | - | 1 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 416 | 8 | 4 | 4 | 3.5 | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NCC(C)c1ccc(C(C)C)cc1 | 10.1016/j.ejmech.2021.113190 | ||
| 168295541 | 193040 | 0 | None | 14 | 2 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 347 | 6 | 4 | 5 | 1.4 | C[C@@H](NC(=O)/N=C(\N)NCCCc1nnc(N)s1)c1ccccc1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5208845 | 193040 | 0 | None | 14 | 2 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 347 | 6 | 4 | 5 | 1.4 | C[C@@H](NC(=O)/N=C(\N)NCCCc1nnc(N)s1)c1ccccc1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5222926 | 193040 | 0 | None | 14 | 2 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 347 | 6 | 4 | 5 | 1.4 | C[C@@H](NC(=O)/N=C(\N)NCCCc1nnc(N)s1)c1ccccc1 | 10.1021/acs.jmedchem.1c00692 | ||
| 168286426 | 192926 | 0 | None | 5 | 2 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 403 | 10 | 4 | 5 | 2.3 | CC(CCCc1ccccc1)CNC(=O)/N=C(\N)NCCCc1nnc(N)s1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5198795 | 192926 | 0 | None | 5 | 2 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 403 | 10 | 4 | 5 | 2.3 | CC(CCCc1ccccc1)CNC(=O)/N=C(\N)NCCCc1nnc(N)s1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5222241 | 192926 | 0 | None | 5 | 2 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 403 | 10 | 4 | 5 | 2.3 | CC(CCCc1ccccc1)CNC(=O)/N=C(\N)NCCCc1nnc(N)s1 | 10.1021/acs.jmedchem.1c00692 | ||
| 1269 | 121 | 41 | None | -67 | 6 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 125 | 2 | 2 | 2 | 0.2 | Cc1c(CCN)nc[nH]1 | 10.1021/jm900526h | ||
| 37463 | 121 | 41 | None | -67 | 6 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 125 | 2 | 2 | 2 | 0.2 | Cc1c(CCN)nc[nH]1 | 10.1021/jm900526h | ||
| CHEMBL275443 | 121 | 41 | None | -67 | 6 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 125 | 2 | 2 | 2 | 0.2 | Cc1c(CCN)nc[nH]1 | 10.1021/jm900526h | ||
| 164624107 | 185722 | 0 | None | 8 | 3 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 402 | 9 | 4 | 4 | 2.8 | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NCC(C)CCc1ccccc1 | 10.1016/j.ejmech.2021.113190 | ||
| CHEMBL4865765 | 185722 | 0 | None | 8 | 3 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 402 | 9 | 4 | 4 | 2.8 | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NCC(C)CCc1ccccc1 | 10.1016/j.ejmech.2021.113190 | ||
| 168295528 | 193031 | 0 | None | 31 | 9 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 333 | 6 | 4 | 5 | 0.9 | N/C(=N\C(=O)NCc1ccccc1)NCCCc1nnc(N)s1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5206565 | 193031 | 0 | None | 31 | 9 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 333 | 6 | 4 | 5 | 0.9 | N/C(=N\C(=O)NCc1ccccc1)NCCCc1nnc(N)s1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5222872 | 193031 | 0 | None | 31 | 9 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 333 | 6 | 4 | 5 | 0.9 | N/C(=N\C(=O)NCc1ccccc1)NCCCc1nnc(N)s1 | 10.1021/acs.jmedchem.1c00692 | ||
| 56954129 | 82073 | 0 | None | - | 1 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 536 | 15 | 6 | 8 | 1.5 | N/C(=N\C(=O)CCCCCCC(=O)/N=C(\N)NCCCc1cnc(N)s1)NCCCc1cnc(N)s1 | 10.1021/jm201128q | ||
| CHEMBL2165636 | 82073 | 0 | None | - | 1 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 536 | 15 | 6 | 8 | 1.5 | N/C(=N\C(=O)CCCCCCC(=O)/N=C(\N)NCCCc1cnc(N)s1)NCCCc1cnc(N)s1 | 10.1021/jm201128q | ||
| 164614645 | 185132 | 0 | None | - | 1 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 402 | 8 | 4 | 4 | 3.0 | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NCC(c1ccccc1)C(C)C | 10.1016/j.ejmech.2021.113190 | ||
| CHEMBL4856572 | 185132 | 0 | None | - | 1 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 402 | 8 | 4 | 4 | 3.0 | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NCC(c1ccccc1)C(C)C | 10.1016/j.ejmech.2021.113190 | ||
| 164610892 | 185198 | 0 | None | 4 | 3 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 394 | 8 | 4 | 4 | 3.2 | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NCC(C)CC1CCCCC1 | 10.1016/j.ejmech.2021.113190 | ||
| CHEMBL4857560 | 185198 | 0 | None | 4 | 3 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 394 | 8 | 4 | 4 | 3.2 | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NCC(C)CC1CCCCC1 | 10.1016/j.ejmech.2021.113190 | ||
| 155565842 | 175616 | 0 | None | -5 | 2 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 317 | 1 | 1 | 3 | 3.9 | CC1CCCc2c(-c3cccc(Br)c3)nc(N)nc21 | 10.1021/acs.jmedchem.9b00241 | ||
| CHEMBL4580450 | 175616 | 0 | None | -5 | 2 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 317 | 1 | 1 | 3 | 3.9 | CC1CCCc2c(-c3cccc(Br)c3)nc(N)nc21 | 10.1021/acs.jmedchem.9b00241 | ||
| 1269 | 121 | 41 | None | -67 | 6 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 125 | 2 | 2 | 2 | 0.2 | Cc1c(CCN)nc[nH]1 | 10.1016/j.bmcl.2010.10.041 | ||
| 37463 | 121 | 41 | None | -67 | 6 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 125 | 2 | 2 | 2 | 0.2 | Cc1c(CCN)nc[nH]1 | 10.1016/j.bmcl.2010.10.041 | ||
| CHEMBL275443 | 121 | 41 | None | -67 | 6 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 125 | 2 | 2 | 2 | 0.2 | Cc1c(CCN)nc[nH]1 | 10.1016/j.bmcl.2010.10.041 | ||
| 168290235 | 192968 | 0 | None | 9 | 9 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 315 | 6 | 4 | 3 | 1.1 | C[C@@H](NC(=O)/N=C(\N)NCCCc1ncn[nH]1)c1ccccc1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5201074 | 192968 | 0 | None | 9 | 9 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 315 | 6 | 4 | 3 | 1.1 | C[C@@H](NC(=O)/N=C(\N)NCCCc1ncn[nH]1)c1ccccc1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5222491 | 192968 | 0 | None | 9 | 9 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 315 | 6 | 4 | 3 | 1.1 | C[C@@H](NC(=O)/N=C(\N)NCCCc1ncn[nH]1)c1ccccc1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5094083 | 215467 | 0 | None | - | 1 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | None | None | None | C=C(/N=C(\C)NCCCc1nnc(N)s1)NCCCCCCCCN | 10.1016/j.bmcl.2021.128388 | ||||
| 164627020 | 186408 | 0 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 422 | 7 | 4 | 4 | 3.4 | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NC(c1ccccc1)c1ccccc1 | 10.1016/j.ejmech.2021.113190 | ||
| CHEMBL4876025 | 186408 | 0 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 422 | 7 | 4 | 4 | 3.4 | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NC(c1ccccc1)c1ccccc1 | 10.1016/j.ejmech.2021.113190 | ||
| CHEMBL5075713 | 215529 | 0 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | None | None | None | CC1(C)C(/C=C/C=C/C=C2\c3ccccc3C(C)(C)N2CCCCCC(=O)NCCCCCCCCNC(=O)/N=C(\N)NCCCc2c[nH]cn2)=[N+](CCCCS(=O)(=O)[O-])c2ccccc21 | 10.1016/j.bmcl.2021.128388 | ||||
| CHEMBL5095559 | 215529 | 0 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | None | None | None | CC1(C)C(/C=C/C=C/C=C2\c3ccccc3C(C)(C)N2CCCCCC(=O)NCCCCCCCCNC(=O)/N=C(\N)NCCCc2c[nH]cn2)=[N+](CCCCS(=O)(=O)[O-])c2ccccc21 | 10.1016/j.bmcl.2021.128388 | ||||
| CHEMBL5093461 | 215553 | 0 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | None | None | None | CC1(C)C(/C=C/C=C/C=C2\c3ccccc3C(C)(C)N2CCCCCC(=O)NCCCCCCCCNC(=O)/N=C(\N)NCCCc2nnc(N)s2)=[N+](CCCCS(=O)(=O)[O-])c2ccccc21 | 10.1016/j.bmcl.2021.128388 | ||||
| CHEMBL5095884 | 215553 | 0 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | None | None | None | CC1(C)C(/C=C/C=C/C=C2\c3ccccc3C(C)(C)N2CCCCCC(=O)NCCCCCCCCNC(=O)/N=C(\N)NCCCc2nnc(N)s2)=[N+](CCCCS(=O)(=O)[O-])c2ccccc21 | 10.1016/j.bmcl.2021.128388 | ||||
| CHEMBL5083588 | 215534 | 0 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | None | None | None | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NCCCCCCCCNC(=O)CCCCCN1/C(=C/C=C/C=C/C2=[N+](CCCCS(=O)(=O)[O-])c3ccccc3C2(C)C)c2ccccc2C1(C)C | 10.1016/j.bmcl.2021.128388 | ||||
| CHEMBL5095633 | 215534 | 0 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | None | None | None | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NCCCCCCCCNC(=O)CCCCCN1/C(=C/C=C/C=C/C2=[N+](CCCCS(=O)(=O)[O-])c3ccccc3C2(C)C)c2ccccc2C1(C)C | 10.1016/j.bmcl.2021.128388 | ||||
| 164610421 | 185260 | 0 | None | - | 1 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 332 | 5 | 4 | 4 | 2.1 | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)Nc1ccccc1 | 10.1016/j.ejmech.2021.113190 | ||
| CHEMBL4858567 | 185260 | 0 | None | - | 1 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 332 | 5 | 4 | 4 | 2.1 | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)Nc1ccccc1 | 10.1016/j.ejmech.2021.113190 | ||
| 168273640 | 192805 | 0 | None | 4 | 3 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 568 | 15 | 8 | 10 | -0.1 | N/C(=N\C(=O)NCCCCCCNC(=O)/N=C(\N)NCCCc1nnc(N)s1)NCCCc1nnc(N)s1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5176229 | 192805 | 0 | None | 4 | 3 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 568 | 15 | 8 | 10 | -0.1 | N/C(=N\C(=O)NCCCCCCNC(=O)/N=C(\N)NCCCc1nnc(N)s1)NCCCc1nnc(N)s1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5221444 | 192805 | 0 | None | 4 | 3 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 568 | 15 | 8 | 10 | -0.1 | N/C(=N\C(=O)NCCCCCCNC(=O)/N=C(\N)NCCCc1nnc(N)s1)NCCCc1nnc(N)s1 | 10.1021/acs.jmedchem.1c00692 | ||
| 164620704 | 186083 | 0 | None | - | 1 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 416 | 8 | 4 | 4 | 3.5 | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NCC(C)c1ccc(C(C)C)cc1 | 10.1016/j.ejmech.2021.113190 | ||
| CHEMBL4871482 | 186083 | 0 | None | - | 1 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 416 | 8 | 4 | 4 | 3.5 | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NCC(C)c1ccc(C(C)C)cc1 | 10.1016/j.ejmech.2021.113190 | ||
| 164624107 | 185722 | 0 | None | 8 | 3 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 402 | 9 | 4 | 4 | 2.8 | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NCC(C)CCc1ccccc1 | 10.1016/j.ejmech.2021.113190 | ||
| CHEMBL4865765 | 185722 | 0 | None | 8 | 3 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 402 | 9 | 4 | 4 | 2.8 | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NCC(C)CCc1ccccc1 | 10.1016/j.ejmech.2021.113190 | ||
| 155567151 | 175852 | 0 | None | -1 | 2 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 245 | 1 | 1 | 3 | 3.5 | CC1CCCc2c1nc(N)nc2C1CCCCC1 | 10.1021/acs.jmedchem.9b00241 | ||
| CHEMBL4585616 | 175852 | 0 | None | -1 | 2 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 245 | 1 | 1 | 3 | 3.5 | CC1CCCc2c1nc(N)nc2C1CCCCC1 | 10.1021/acs.jmedchem.9b00241 | ||
| 155567151 | 175852 | 0 | None | -1 | 2 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 245 | 1 | 1 | 3 | 3.5 | CC1CCCc2c1nc(N)nc2C1CCCCC1 | 10.1021/acs.jmedchem.9b00241 | ||
| CHEMBL4585616 | 175852 | 0 | None | -1 | 2 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 245 | 1 | 1 | 3 | 3.5 | CC1CCCc2c1nc(N)nc2C1CCCCC1 | 10.1021/acs.jmedchem.9b00241 | ||
| 164616851 | 184950 | 0 | None | -2 | 3 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 376 | 6 | 4 | 4 | 2.5 | Cc1nc(N)sc1CCCN/C(N)=N/C(=S)N[C@H](C)c1ccccc1 | 10.1016/j.ejmech.2021.113190 | ||
| CHEMBL4853772 | 184950 | 0 | None | -2 | 3 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 376 | 6 | 4 | 4 | 2.5 | Cc1nc(N)sc1CCCN/C(N)=N/C(=S)N[C@H](C)c1ccccc1 | 10.1016/j.ejmech.2021.113190 | ||
| 164614549 | 184943 | 0 | None | -2 | 3 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 340 | 9 | 4 | 4 | 2.2 | CCCCCCNC(=O)/N=C(\N)NCCCc1sc(N)nc1C | 10.1016/j.ejmech.2021.113190 | ||
| CHEMBL4853668 | 184943 | 0 | None | -2 | 3 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 340 | 9 | 4 | 4 | 2.2 | CCCCCCNC(=O)/N=C(\N)NCCCc1sc(N)nc1C | 10.1016/j.ejmech.2021.113190 | ||
| 44482300 | 5793 | 0 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 342 | 9 | 4 | 2 | 2.0 | NC(=O)/N=C(/NCCCCc1ccccc1)NCCCc1c[nH]cn1 | 10.1021/jm900526h | ||
| CHEMBL1078746 | 5793 | 0 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 342 | 9 | 4 | 2 | 2.0 | NC(=O)/N=C(/NCCCCc1ccccc1)NCCCc1c[nH]cn1 | 10.1021/jm900526h | ||
| 1204 | 1932 | 119 | None | -64 | 10 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1016/j.bmcl.2021.128388 | ||
| 1247 | 1932 | 119 | None | -64 | 10 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1016/j.bmcl.2021.128388 | ||
| 1375 | 1932 | 119 | None | -64 | 10 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1016/j.bmcl.2021.128388 | ||
| 774 | 1932 | 119 | None | -64 | 10 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1016/j.bmcl.2021.128388 | ||
| CHEMBL90 | 1932 | 119 | None | -64 | 10 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1016/j.bmcl.2021.128388 | ||
| DB05381 | 1932 | 119 | None | -64 | 10 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1016/j.bmcl.2021.128388 | ||
| 1204 | 1932 | 119 | None | -64 | 10 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1016/j.ejmech.2021.113190 | ||
| 1247 | 1932 | 119 | None | -64 | 10 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1016/j.ejmech.2021.113190 | ||
| 1375 | 1932 | 119 | None | -64 | 10 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1016/j.ejmech.2021.113190 | ||
| 774 | 1932 | 119 | None | -64 | 10 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1016/j.ejmech.2021.113190 | ||
| CHEMBL90 | 1932 | 119 | None | -64 | 10 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1016/j.ejmech.2021.113190 | ||
| DB05381 | 1932 | 119 | None | -64 | 10 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1016/j.ejmech.2021.113190 | ||
| 1204 | 1932 | 119 | None | -64 | 10 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.1c00692 | ||
| 1247 | 1932 | 119 | None | -64 | 10 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.1c00692 | ||
| 1375 | 1932 | 119 | None | -64 | 10 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.1c00692 | ||
| 774 | 1932 | 119 | None | -64 | 10 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL90 | 1932 | 119 | None | -64 | 10 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.1c00692 | ||
| DB05381 | 1932 | 119 | None | -64 | 10 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.1c00692 | ||
| 164628701 | 186467 | 0 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 338 | 5 | 4 | 4 | 1.9 | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NC1CCCCC1 | 10.1016/j.ejmech.2021.113190 | ||
| CHEMBL4876743 | 186467 | 0 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 338 | 5 | 4 | 4 | 1.9 | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NC1CCCCC1 | 10.1016/j.ejmech.2021.113190 | ||
| CHEMBL5087637 | 215555 | 0 | None | - | 1 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | None | None | None | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NCCCCCCNC(=O)CCCCCN1/C(=C/C=C/C=C/C2=[N+](CCCCS(=O)(=O)[O-])c3ccccc3C2(C)C)c2ccccc2C1(C)C | 10.1016/j.bmcl.2021.128388 | ||||
| CHEMBL5095891 | 215555 | 0 | None | - | 1 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | None | None | None | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NCCCCCCNC(=O)CCCCCN1/C(=C/C=C/C=C/C2=[N+](CCCCS(=O)(=O)[O-])c3ccccc3C2(C)C)c2ccccc2C1(C)C | 10.1016/j.bmcl.2021.128388 | ||||
| 44481487 | 6107 | 0 | None | - | 1 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 302 | 7 | 3 | 3 | 2.3 | N#C/N=C(/NCCCC1CCCCC1)NCCc1c[nH]cn1 | 10.1021/jm900526h | ||
| CHEMBL1080772 | 6107 | 0 | None | - | 1 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 302 | 7 | 3 | 3 | 2.3 | N#C/N=C(/NCCCC1CCCCC1)NCCc1c[nH]cn1 | 10.1021/jm900526h | ||
| 59868 | 94154 | 60 | None | - | 1 | Human | 4.4 | pEC50 | = | 4.4 | Functional | ChEMBL | 211 | 3 | 2 | 4 | 1.6 | CCCN[C@@H]1CCc2nc(N)sc2C1 | 10.1016/j.ejmech.2021.113190 | ||
| CHEMBL249420 | 94154 | 60 | None | - | 1 | Human | 4.4 | pEC50 | = | 4.4 | Functional | ChEMBL | 211 | 3 | 2 | 4 | 1.6 | CCCN[C@@H]1CCc2nc(N)sc2C1 | 10.1016/j.ejmech.2021.113190 | ||
| 168273745 | 192808 | 0 | None | 4 | 3 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 332 | 6 | 4 | 4 | 1.5 | N/C(=N\C(=O)NCc1ccccc1)NCCCc1cnc(N)s1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5178472 | 192808 | 0 | None | 4 | 3 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 332 | 6 | 4 | 4 | 1.5 | N/C(=N\C(=O)NCc1ccccc1)NCCCc1cnc(N)s1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5221451 | 192808 | 0 | None | 4 | 3 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 332 | 6 | 4 | 4 | 1.5 | N/C(=N\C(=O)NCc1ccccc1)NCCCc1cnc(N)s1 | 10.1021/acs.jmedchem.1c00692 | ||
| 168273640 | 192805 | 0 | None | 4 | 3 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 568 | 15 | 8 | 10 | -0.1 | N/C(=N\C(=O)NCCCCCCNC(=O)/N=C(\N)NCCCc1nnc(N)s1)NCCCc1nnc(N)s1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5176229 | 192805 | 0 | None | 4 | 3 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 568 | 15 | 8 | 10 | -0.1 | N/C(=N\C(=O)NCCCCCCNC(=O)/N=C(\N)NCCCc1nnc(N)s1)NCCCc1nnc(N)s1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5221444 | 192805 | 0 | None | 4 | 3 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 568 | 15 | 8 | 10 | -0.1 | N/C(=N\C(=O)NCCCCCCNC(=O)/N=C(\N)NCCCc1nnc(N)s1)NCCCc1nnc(N)s1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5075713 | 215529 | 0 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | None | None | None | CC1(C)C(/C=C/C=C/C=C2\c3ccccc3C(C)(C)N2CCCCCC(=O)NCCCCCCCCNC(=O)/N=C(\N)NCCCc2c[nH]cn2)=[N+](CCCCS(=O)(=O)[O-])c2ccccc21 | 10.1016/j.bmcl.2021.128388 | ||||
| CHEMBL5095559 | 215529 | 0 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | None | None | None | CC1(C)C(/C=C/C=C/C=C2\c3ccccc3C(C)(C)N2CCCCCC(=O)NCCCCCCCCNC(=O)/N=C(\N)NCCCc2c[nH]cn2)=[N+](CCCCS(=O)(=O)[O-])c2ccccc21 | 10.1016/j.bmcl.2021.128388 | ||||
| 44482299 | 5737 | 0 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 328 | 8 | 4 | 2 | 1.6 | NC(=O)/N=C(/NCCCc1ccccc1)NCCCc1c[nH]cn1 | 10.1021/jm900526h | ||
| CHEMBL1078359 | 5737 | 0 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 328 | 8 | 4 | 2 | 1.6 | NC(=O)/N=C(/NCCCc1ccccc1)NCCCc1c[nH]cn1 | 10.1021/jm900526h | ||
| 164627774 | 186565 | 0 | None | - | 1 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 344 | 3 | 4 | 4 | 1.4 | N/C(=N\C(=O)NCc1ccccc1)NC1CCc2nc(N)sc2C1 | 10.1016/j.ejmech.2021.113190 | ||
| CHEMBL4878215 | 186565 | 0 | None | - | 1 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 344 | 3 | 4 | 4 | 1.4 | N/C(=N\C(=O)NCc1ccccc1)NC1CCc2nc(N)sc2C1 | 10.1016/j.ejmech.2021.113190 | ||
| 56953998 | 82068 | 0 | None | - | 1 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 578 | 16 | 6 | 8 | 2.5 | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)CCCCCCCC(=O)/N=C(\N)NCCCc1sc(N)nc1C | 10.1021/jm201128q | ||
| CHEMBL2165631 | 82068 | 0 | None | - | 1 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 578 | 16 | 6 | 8 | 2.5 | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)CCCCCCCC(=O)/N=C(\N)NCCCc1sc(N)nc1C | 10.1021/jm201128q | ||
| 164622190 | 185616 | 0 | None | - | 1 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 360 | 7 | 4 | 4 | 1.8 | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NCCc1ccccc1 | 10.1016/j.ejmech.2021.113190 | ||
| CHEMBL4864067 | 185616 | 0 | None | - | 1 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 360 | 7 | 4 | 4 | 1.8 | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NCCc1ccccc1 | 10.1016/j.ejmech.2021.113190 | ||
| 164609729 | 185098 | 0 | None | -2 | 3 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 360 | 6 | 4 | 4 | 2.3 | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)N[C@H](C)c1ccccc1 | 10.1016/j.ejmech.2021.113190 | ||
| CHEMBL4856059 | 185098 | 0 | None | -2 | 3 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 360 | 6 | 4 | 4 | 2.3 | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)N[C@H](C)c1ccccc1 | 10.1016/j.ejmech.2021.113190 | ||
| 56953889 | 82067 | 0 | None | - | 1 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 564 | 15 | 6 | 8 | 2.1 | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)CCCCCCC(=O)/N=C(\N)NCCCc1sc(N)nc1C | 10.1021/jm201128q | ||
| CHEMBL2165630 | 82067 | 0 | None | - | 1 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 564 | 15 | 6 | 8 | 2.1 | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)CCCCCCC(=O)/N=C(\N)NCCCc1sc(N)nc1C | 10.1021/jm201128q | ||
| 168273745 | 192808 | 0 | None | 4 | 3 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 332 | 6 | 4 | 4 | 1.5 | N/C(=N\C(=O)NCc1ccccc1)NCCCc1cnc(N)s1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5178472 | 192808 | 0 | None | 4 | 3 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 332 | 6 | 4 | 4 | 1.5 | N/C(=N\C(=O)NCc1ccccc1)NCCCc1cnc(N)s1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5221451 | 192808 | 0 | None | 4 | 3 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 332 | 6 | 4 | 4 | 1.5 | N/C(=N\C(=O)NCc1ccccc1)NCCCc1cnc(N)s1 | 10.1021/acs.jmedchem.1c00692 | ||
| 168294767 | 193019 | 0 | None | 40 | 10 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 313 | 8 | 4 | 5 | 0.9 | CCCCCNC(=O)/N=C(\N)NCCCc1nnc(N)s1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5207281 | 193019 | 0 | None | 40 | 10 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 313 | 8 | 4 | 5 | 0.9 | CCCCCNC(=O)/N=C(\N)NCCCc1nnc(N)s1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5222802 | 193019 | 0 | None | 40 | 10 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 313 | 8 | 4 | 5 | 0.9 | CCCCCNC(=O)/N=C(\N)NCCCc1nnc(N)s1 | 10.1021/acs.jmedchem.1c00692 | ||
| 46887076 | 8958 | 0 | None | - | 1 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 359 | 7 | 4 | 5 | 2.8 | Cc1nc(N)sc1CCCNC(=N)NC(=O)CC(C)c1ccccc1 | 10.1016/j.bmcl.2010.03.082 | ||
| CHEMBL1098110 | 8958 | 0 | None | - | 1 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 359 | 7 | 4 | 5 | 2.8 | Cc1nc(N)sc1CCCNC(=N)NC(=O)CC(C)c1ccccc1 | 10.1016/j.bmcl.2010.03.082 | ||
| CHEMBL5094663 | 215506 | 0 | None | - | 1 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | None | None | None | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NCCCCCCNC(=O)CCCCCN1/C(=C/C=C/C=C/C2=[N+](C)c3ccccc3C2(C)C)c2ccccc2C1(C)C | 10.1016/j.bmcl.2021.128388 | ||||
| CHEMBL5094663 | 215506 | 0 | None | - | 1 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | None | None | None | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NCCCCCCNC(=O)CCCCCN1/C(=C/C=C/C=C/C2=[N+](C)c3ccccc3C2(C)C)c2ccccc2C1(C)C | 10.1016/j.bmcl.2021.128388 | ||||
| 155542256 | 173084 | 0 | None | -1 | 2 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 257 | 5 | 1 | 4 | 3.1 | CCCCc1cc(-c2ccc(OC)cc2)nc(N)n1 | 10.1021/acs.jmedchem.9b00241 | ||
| CHEMBL4519923 | 173084 | 0 | None | -1 | 2 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 257 | 5 | 1 | 4 | 3.1 | CCCCc1cc(-c2ccc(OC)cc2)nc(N)n1 | 10.1021/acs.jmedchem.9b00241 | ||
| 168297879 | 192348 | 0 | None | - | 1 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 640 | 18 | 5 | 9 | 4.9 | CCOC(=O)C1=C(C)NC(CSCCCCCNC(=N)NCCCc2ccc[nH]2)=C(C(=O)OCC)C1c1cccc([N+](=O)[O-])c1 | 10.1016/j.bmc.2022.116706 | ||
| CHEMBL5207008 | 192348 | 0 | None | - | 1 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 640 | 18 | 5 | 9 | 4.9 | CCOC(=O)C1=C(C)NC(CSCCCCCNC(=N)NCCCc2ccc[nH]2)=C(C(=O)OCC)C1c1cccc([N+](=O)[O-])c1 | 10.1016/j.bmc.2022.116706 | ||
| 164610421 | 185260 | 0 | None | - | 1 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 332 | 5 | 4 | 4 | 2.1 | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)Nc1ccccc1 | 10.1016/j.ejmech.2021.113190 | ||
| CHEMBL4858567 | 185260 | 0 | None | - | 1 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 332 | 5 | 4 | 4 | 2.1 | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)Nc1ccccc1 | 10.1016/j.ejmech.2021.113190 | ||
| 155542256 | 173084 | 0 | None | -1 | 2 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 257 | 5 | 1 | 4 | 3.1 | CCCCc1cc(-c2ccc(OC)cc2)nc(N)n1 | 10.1021/acs.jmedchem.9b00241 | ||
| CHEMBL4519923 | 173084 | 0 | None | -1 | 2 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 257 | 5 | 1 | 4 | 3.1 | CCCCc1cc(-c2ccc(OC)cc2)nc(N)n1 | 10.1021/acs.jmedchem.9b00241 | ||
| 155544839 | 174943 | 0 | None | 2 | 2 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 284 | 2 | 1 | 5 | 3.1 | CC1CCCc2c(-c3ccc([N+](=O)[O-])cc3)nc(N)nc21 | 10.1021/acs.jmedchem.9b00241 | ||
| CHEMBL4565419 | 174943 | 0 | None | 2 | 2 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 284 | 2 | 1 | 5 | 3.1 | CC1CCCc2c(-c3ccc([N+](=O)[O-])cc3)nc(N)nc21 | 10.1021/acs.jmedchem.9b00241 | ||
| 46887077 | 9003 | 0 | None | - | 1 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 359 | 7 | 4 | 5 | 2.8 | Cc1nc(N)sc1CCCNC(=N)NC(=O)C[C@@H](C)c1ccccc1 | 10.1016/j.bmcl.2010.03.082 | ||
| CHEMBL1098441 | 9003 | 0 | None | - | 1 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 359 | 7 | 4 | 5 | 2.8 | Cc1nc(N)sc1CCCNC(=N)NC(=O)C[C@@H](C)c1ccccc1 | 10.1016/j.bmcl.2010.03.082 | ||
| 155544839 | 174943 | 0 | None | 2 | 2 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 284 | 2 | 1 | 5 | 3.1 | CC1CCCc2c(-c3ccc([N+](=O)[O-])cc3)nc(N)nc21 | 10.1021/acs.jmedchem.9b00241 | ||
| CHEMBL4565419 | 174943 | 0 | None | 2 | 2 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 284 | 2 | 1 | 5 | 3.1 | CC1CCCc2c(-c3ccc([N+](=O)[O-])cc3)nc(N)nc21 | 10.1021/acs.jmedchem.9b00241 | ||
| 1204 | 1932 | 119 | None | -64 | 10 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1016/j.bmcl.2021.128388 | ||
| 1247 | 1932 | 119 | None | -64 | 10 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1016/j.bmcl.2021.128388 | ||
| 1375 | 1932 | 119 | None | -64 | 10 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1016/j.bmcl.2021.128388 | ||
| 774 | 1932 | 119 | None | -64 | 10 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1016/j.bmcl.2021.128388 | ||
| CHEMBL90 | 1932 | 119 | None | -64 | 10 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1016/j.bmcl.2021.128388 | ||
| DB05381 | 1932 | 119 | None | -64 | 10 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1016/j.bmcl.2021.128388 | ||
| 56954320 | 82079 | 0 | None | -13 | 3 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 472 | 15 | 6 | 4 | 0.9 | N/C(=N\C(=O)CCCCCCC(=O)/N=C(\N)NCCCc1c[nH]cn1)NCCCc1c[nH]cn1 | 10.1021/jm201128q | ||
| CHEMBL2165641 | 82079 | 0 | None | -13 | 3 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 472 | 15 | 6 | 4 | 0.9 | N/C(=N\C(=O)CCCCCCC(=O)/N=C(\N)NCCCc1c[nH]cn1)NCCCc1c[nH]cn1 | 10.1021/jm201128q | ||
| 168278471 | 192848 | 0 | None | 2 | 3 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 312 | 8 | 4 | 4 | 1.5 | CCCCCNC(=O)/N=C(\N)NCCCc1cnc(N)s1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5183205 | 192848 | 0 | None | 2 | 3 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 312 | 8 | 4 | 4 | 1.5 | CCCCCNC(=O)/N=C(\N)NCCCc1cnc(N)s1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5221757 | 192848 | 0 | None | 2 | 3 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 312 | 8 | 4 | 4 | 1.5 | CCCCCNC(=O)/N=C(\N)NCCCc1cnc(N)s1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5087637 | 215555 | 0 | None | - | 1 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | None | None | None | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NCCCCCCNC(=O)CCCCCN1/C(=C/C=C/C=C/C2=[N+](CCCCS(=O)(=O)[O-])c3ccccc3C2(C)C)c2ccccc2C1(C)C | 10.1016/j.bmcl.2021.128388 | ||||
| CHEMBL5095891 | 215555 | 0 | None | - | 1 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | None | None | None | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NCCCCCCNC(=O)CCCCCN1/C(=C/C=C/C=C/C2=[N+](CCCCS(=O)(=O)[O-])c3ccccc3C2(C)C)c2ccccc2C1(C)C | 10.1016/j.bmcl.2021.128388 | ||||
| 56953887 | 82085 | 0 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 536 | 13 | 6 | 8 | 1.4 | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)CCCCC(=O)/N=C(\N)NCCCc1sc(N)nc1C | 10.1021/jm201128q | ||
| CHEMBL2165647 | 82085 | 0 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 536 | 13 | 6 | 8 | 1.4 | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)CCCCC(=O)/N=C(\N)NCCCc1sc(N)nc1C | 10.1021/jm201128q | ||
| 168278471 | 192848 | 0 | None | 2 | 3 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 312 | 8 | 4 | 4 | 1.5 | CCCCCNC(=O)/N=C(\N)NCCCc1cnc(N)s1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5183205 | 192848 | 0 | None | 2 | 3 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 312 | 8 | 4 | 4 | 1.5 | CCCCCNC(=O)/N=C(\N)NCCCc1cnc(N)s1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5221757 | 192848 | 0 | None | 2 | 3 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 312 | 8 | 4 | 4 | 1.5 | CCCCCNC(=O)/N=C(\N)NCCCc1cnc(N)s1 | 10.1021/acs.jmedchem.1c00692 | ||
| 168290815 | 192973 | 0 | None | 10 | 2 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 327 | 9 | 4 | 5 | 1.2 | CCCCCCNC(=O)/N=C(\N)NCCCc1nnc(N)s1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5200771 | 192973 | 0 | None | 10 | 2 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 327 | 9 | 4 | 5 | 1.2 | CCCCCCNC(=O)/N=C(\N)NCCCc1nnc(N)s1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5222529 | 192973 | 0 | None | 10 | 2 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 327 | 9 | 4 | 5 | 1.2 | CCCCCCNC(=O)/N=C(\N)NCCCc1nnc(N)s1 | 10.1021/acs.jmedchem.1c00692 | ||
| 56954322 | 82080 | 0 | None | -3 | 3 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 500 | 17 | 6 | 4 | 1.7 | N/C(=N\C(=O)CCCCCCCCC(=O)/N=C(\N)NCCCc1c[nH]cn1)NCCCc1c[nH]cn1 | 10.1021/jm201128q | ||
| CHEMBL2165642 | 82080 | 0 | None | -3 | 3 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 500 | 17 | 6 | 4 | 1.7 | N/C(=N\C(=O)CCCCCCCCC(=O)/N=C(\N)NCCCc1c[nH]cn1)NCCCc1c[nH]cn1 | 10.1021/jm201128q | ||
| 46887043 | 8763 | 0 | None | -1 | 4 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 319 | 7 | 4 | 3 | 2.6 | C[C@@H](CC(=O)NC(=N)NCCCc1c[nH]cn1)C1CCCCC1 | 10.1016/j.bmcl.2010.03.082 | ||
| CHEMBL1096431 | 8763 | 0 | None | -1 | 4 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 319 | 7 | 4 | 3 | 2.6 | C[C@@H](CC(=O)NC(=N)NCCCc1c[nH]cn1)C1CCCCC1 | 10.1016/j.bmcl.2010.03.082 | ||
| 164611757 | 184903 | 0 | None | 3 | 3 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 402 | 8 | 4 | 4 | 2.8 | Cc1ccc(CC(C)CNC(=O)/N=C(\N)NCCCc2sc(N)nc2C)cc1 | 10.1016/j.ejmech.2021.113190 | ||
| CHEMBL4853107 | 184903 | 0 | None | 3 | 3 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 402 | 8 | 4 | 4 | 2.8 | Cc1ccc(CC(C)CNC(=O)/N=C(\N)NCCCc2sc(N)nc2C)cc1 | 10.1016/j.ejmech.2021.113190 | ||
| 168268853 | 192785 | 0 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 389 | 8 | 4 | 5 | 1.9 | Cc1ccc(CC(C)CNC(=O)/N=C(\N)NCCCc2nnc(N)s2)cc1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5180504 | 192785 | 0 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 389 | 8 | 4 | 5 | 1.9 | Cc1ccc(CC(C)CNC(=O)/N=C(\N)NCCCc2nnc(N)s2)cc1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5221353 | 192785 | 0 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 389 | 8 | 4 | 5 | 1.9 | Cc1ccc(CC(C)CNC(=O)/N=C(\N)NCCCc2nnc(N)s2)cc1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5083588 | 215534 | 0 | None | - | 1 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | None | None | None | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NCCCCCCCCNC(=O)CCCCCN1/C(=C/C=C/C=C/C2=[N+](CCCCS(=O)(=O)[O-])c3ccccc3C2(C)C)c2ccccc2C1(C)C | 10.1016/j.bmcl.2021.128388 | ||||
| CHEMBL5095633 | 215534 | 0 | None | - | 1 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | None | None | None | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NCCCCCCCCNC(=O)CCCCCN1/C(=C/C=C/C=C/C2=[N+](CCCCS(=O)(=O)[O-])c3ccccc3C2(C)C)c2ccccc2C1(C)C | 10.1016/j.bmcl.2021.128388 | ||||
| 25149712 | 178986 | 0 | None | -25 | 3 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 299 | 7 | 4 | 3 | 1.6 | N=C(NCCCc1c[nH]cn1)NC(=O)CCc1ccccc1 | 10.1016/j.bmcl.2010.10.041 | ||
| CHEMBL470790 | 178986 | 0 | None | -25 | 3 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 299 | 7 | 4 | 3 | 1.6 | N=C(NCCCc1c[nH]cn1)NC(=O)CCc1ccccc1 | 10.1016/j.bmcl.2010.10.041 | ||
| 25149335 | 184225 | 0 | None | -26 | 3 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 313 | 7 | 3 | 2 | 2.0 | CC(CC(=O)/N=C(\N)NCCCc1c[nH]cn1)c1ccccc1 | 10.1016/j.bmcl.2010.10.041 | ||
| CHEMBL483406 | 184225 | 0 | None | -26 | 3 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 313 | 7 | 3 | 2 | 2.0 | CC(CC(=O)/N=C(\N)NCCCc1c[nH]cn1)c1ccccc1 | 10.1016/j.bmcl.2010.10.041 | ||
| CHEMBL5093461 | 215553 | 0 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | None | None | None | CC1(C)C(/C=C/C=C/C=C2\c3ccccc3C(C)(C)N2CCCCCC(=O)NCCCCCCCCNC(=O)/N=C(\N)NCCCc2nnc(N)s2)=[N+](CCCCS(=O)(=O)[O-])c2ccccc21 | 10.1016/j.bmcl.2021.128388 | ||||
| CHEMBL5095884 | 215553 | 0 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | None | None | None | CC1(C)C(/C=C/C=C/C=C2\c3ccccc3C(C)(C)N2CCCCCC(=O)NCCCCCCCCNC(=O)/N=C(\N)NCCCc2nnc(N)s2)=[N+](CCCCS(=O)(=O)[O-])c2ccccc21 | 10.1016/j.bmcl.2021.128388 | ||||
| 164626153 | 186378 | 0 | None | 1 | 3 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 378 | 6 | 4 | 4 | 2.5 | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NC(C)c1cccc(F)c1 | 10.1016/j.ejmech.2021.113190 | ||
| CHEMBL4875600 | 186378 | 0 | None | 1 | 3 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 378 | 6 | 4 | 4 | 2.5 | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NC(C)c1cccc(F)c1 | 10.1016/j.ejmech.2021.113190 | ||
| 44482299 | 5737 | 0 | None | - | 1 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 328 | 8 | 4 | 2 | 1.6 | NC(=O)/N=C(/NCCCc1ccccc1)NCCCc1c[nH]cn1 | 10.1021/jm900526h | ||
| CHEMBL1078359 | 5737 | 0 | None | - | 1 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 328 | 8 | 4 | 2 | 1.6 | NC(=O)/N=C(/NCCCc1ccccc1)NCCCc1c[nH]cn1 | 10.1021/jm900526h | ||
| 1204 | 1932 | 119 | None | -64 | 10 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/jm0603318 | ||
| 1247 | 1932 | 119 | None | -64 | 10 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/jm0603318 | ||
| 1375 | 1932 | 119 | None | -64 | 10 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/jm0603318 | ||
| 774 | 1932 | 119 | None | -64 | 10 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/jm0603318 | ||
| CHEMBL90 | 1932 | 119 | None | -64 | 10 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/jm0603318 | ||
| DB05381 | 1932 | 119 | None | -64 | 10 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/jm0603318 | ||
| CHEMBL5076746 | 215525 | 0 | None | - | 1 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | None | None | None | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NCCCCCCNC(=O)CCCCCN1/C(=C/C=C/C=C/C2=[N+](CCCCS(N)(=O)=O)c3ccccc3C2(C)C)c2cc(S(=O)(=O)[O-])ccc2C1(C)C | 10.1016/j.bmcl.2021.128388 | ||||
| CHEMBL5095519 | 215525 | 0 | None | - | 1 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | None | None | None | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NCCCCCCNC(=O)CCCCCN1/C(=C/C=C/C=C/C2=[N+](CCCCS(N)(=O)=O)c3ccccc3C2(C)C)c2cc(S(=O)(=O)[O-])ccc2C1(C)C | 10.1016/j.bmcl.2021.128388 | ||||
| CHEMBL5088914 | 215562 | 0 | None | - | 1 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | None | None | None | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NCCCCCCCCCCNC(=O)CCCCCN1/C(=C/C=C/C=C/C2=[N+](CCCCS(=O)(=O)[O-])c3ccccc3C2(C)C)c2ccccc2C1(C)C | 10.1016/j.bmcl.2021.128388 | ||||
| CHEMBL5095949 | 215562 | 0 | None | - | 1 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | None | None | None | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NCCCCCCCCCCNC(=O)CCCCCN1/C(=C/C=C/C=C/C2=[N+](CCCCS(=O)(=O)[O-])c3ccccc3C2(C)C)c2ccccc2C1(C)C | 10.1016/j.bmcl.2021.128388 | ||||
| CHEMBL5085542 | 214972 | 0 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | None | None | None | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NCCCCCCCC[n+]1c(C)cc(/C=C/C=C/c2ccc(N(C)C)cc2)cc1C | 10.1016/j.bmcl.2021.128388 | ||||
| CHEMBL5092102 | 215346 | 0 | None | - | 1 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | None | None | None | NCCCCCCCCNC(=O)/N=C(\N)NCCCc1c[nH]cn1 | 10.1016/j.bmcl.2021.128388 | ||||
| CHEMBL5094083 | 215467 | 0 | None | - | 1 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | None | None | None | C=C(/N=C(\C)NCCCc1nnc(N)s1)NCCCCCCCCN | 10.1016/j.bmcl.2021.128388 | ||||
| 56954515 | 82065 | 0 | None | -2 | 3 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 546 | 17 | 6 | 6 | 2.3 | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)CCCCCCCCC(=O)/N=C(\N)NCCCc1c[nH]cn1 | 10.1021/jm201128q | ||
| CHEMBL2165628 | 82065 | 0 | None | -2 | 3 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 546 | 17 | 6 | 6 | 2.3 | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)CCCCCCCCC(=O)/N=C(\N)NCCCc1c[nH]cn1 | 10.1021/jm201128q | ||
| 56954000 | 82069 | 0 | None | - | 1 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 592 | 17 | 6 | 8 | 2.9 | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)CCCCCCCCC(=O)/N=C(\N)NCCCc1sc(N)nc1C | 10.1021/jm201128q | ||
| CHEMBL2165632 | 82069 | 0 | None | - | 1 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 592 | 17 | 6 | 8 | 2.9 | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)CCCCCCCCC(=O)/N=C(\N)NCCCc1sc(N)nc1C | 10.1021/jm201128q | ||
| CHEMBL5078202 | 215536 | 0 | None | - | 1 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | None | None | None | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NCCCCCCCCNC(=O)CCCCCNC(=O)COc1ccc(/C=C/C2=[N+]3C(=Cc4ccc(-c5cccs5)n4[B-]3(F)F)C=C2)cc1 | 10.1016/j.bmcl.2021.128388 | ||||
| CHEMBL5095695 | 215536 | 0 | None | - | 1 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | None | None | None | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NCCCCCCCCNC(=O)CCCCCNC(=O)COc1ccc(/C=C/C2=[N+]3C(=Cc4ccc(-c5cccs5)n4[B-]3(F)F)C=C2)cc1 | 10.1016/j.bmcl.2021.128388 | ||||
| 44480707 | 5763 | 0 | None | -5 | 2 | Human | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 328 | 8 | 3 | 4 | 2.2 | N#C/N=C(/NCCCc1c[nH]cn1)NCCSc1ccccc1 | 10.1021/jm900526h | ||
| CHEMBL1078529 | 5763 | 0 | None | -5 | 2 | Human | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 328 | 8 | 3 | 4 | 2.2 | N#C/N=C(/NCCCc1c[nH]cn1)NCCSc1ccccc1 | 10.1021/jm900526h | ||
| 168281746 | 192882 | 0 | None | 77 | 2 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 365 | 6 | 4 | 5 | 1.6 | CC(NC(=O)/N=C(\N)NCCCc1nnc(N)s1)c1cccc(F)c1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5184911 | 192882 | 0 | None | 77 | 2 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 365 | 6 | 4 | 5 | 1.6 | CC(NC(=O)/N=C(\N)NCCCc1nnc(N)s1)c1cccc(F)c1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5221974 | 192882 | 0 | None | 77 | 2 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 365 | 6 | 4 | 5 | 1.6 | CC(NC(=O)/N=C(\N)NCCCc1nnc(N)s1)c1cccc(F)c1 | 10.1021/acs.jmedchem.1c00692 | ||
| 155525816 | 171054 | 0 | None | 7 | 2 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 257 | 1 | 1 | 3 | 3.3 | CC1CCCc2c(-c3ccc(F)cc3)nc(N)nc21 | 10.1021/acs.jmedchem.9b00241 | ||
| CHEMBL4456972 | 171054 | 0 | None | 7 | 2 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 257 | 1 | 1 | 3 | 3.3 | CC1CCCc2c(-c3ccc(F)cc3)nc(N)nc21 | 10.1021/acs.jmedchem.9b00241 | ||
| CHEMBL5077939 | 215541 | 0 | None | - | 1 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | None | None | None | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NCCCCCCCCNC(=O)CCCCCN1/C(=C/C=C/C=C/C2=[N+](CCCCS(=O)(=O)O)c3ccccc3C2(C)C)c2cc(S(=O)(=O)[O-])ccc2C1(C)C | 10.1016/j.bmcl.2021.128388 | ||||
| CHEMBL5095769 | 215541 | 0 | None | - | 1 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | None | None | None | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NCCCCCCCCNC(=O)CCCCCN1/C(=C/C=C/C=C/C2=[N+](CCCCS(=O)(=O)O)c3ccccc3C2(C)C)c2cc(S(=O)(=O)[O-])ccc2C1(C)C | 10.1016/j.bmcl.2021.128388 | ||||
| 168292954 | 192997 | 0 | None | 7 | 3 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 388 | 8 | 4 | 4 | 2.5 | Cc1ccc(CC(C)CNC(=O)/N=C(\N)NCCCc2cnc(N)s2)cc1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5202592 | 192997 | 0 | None | 7 | 3 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 388 | 8 | 4 | 4 | 2.5 | Cc1ccc(CC(C)CNC(=O)/N=C(\N)NCCCc2cnc(N)s2)cc1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5222660 | 192997 | 0 | None | 7 | 3 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 388 | 8 | 4 | 4 | 2.5 | Cc1ccc(CC(C)CNC(=O)/N=C(\N)NCCCc2cnc(N)s2)cc1 | 10.1021/acs.jmedchem.1c00692 | ||
| 155553964 | 175457 | 0 | None | 11 | 2 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 273 | 1 | 1 | 3 | 3.8 | CC1CCCc2c(-c3ccc(Cl)cc3)nc(N)nc21 | 10.1021/acs.jmedchem.9b00241 | ||
| CHEMBL4576986 | 175457 | 0 | None | 11 | 2 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 273 | 1 | 1 | 3 | 3.8 | CC1CCCc2c(-c3ccc(Cl)cc3)nc(N)nc21 | 10.1021/acs.jmedchem.9b00241 | ||
| 46830167 | 8761 | 0 | None | -42 | 4 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 313 | 7 | 4 | 3 | 2.2 | C[C@@H](CC(=O)NC(=N)NCCCc1c[nH]cn1)c1ccccc1 | 10.1016/j.bmcl.2010.03.082 | ||
| CHEMBL1096429 | 8761 | 0 | None | -42 | 4 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 313 | 7 | 4 | 3 | 2.2 | C[C@@H](CC(=O)NC(=N)NCCCc1c[nH]cn1)c1ccccc1 | 10.1016/j.bmcl.2010.03.082 | ||
| 25149521 | 179052 | 0 | None | -9 | 2 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 375 | 8 | 4 | 3 | 3.2 | N=C(NCCCc1c[nH]cn1)NC(=O)CC(c1ccccc1)c1ccccc1 | 10.1016/j.bmcl.2010.10.041 | ||
| CHEMBL471413 | 179052 | 0 | None | -9 | 2 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 375 | 8 | 4 | 3 | 3.2 | N=C(NCCCc1c[nH]cn1)NC(=O)CC(c1ccccc1)c1ccccc1 | 10.1016/j.bmcl.2010.10.041 | ||
| 168281746 | 192882 | 0 | None | 77 | 2 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 365 | 6 | 4 | 5 | 1.6 | CC(NC(=O)/N=C(\N)NCCCc1nnc(N)s1)c1cccc(F)c1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5184911 | 192882 | 0 | None | 77 | 2 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 365 | 6 | 4 | 5 | 1.6 | CC(NC(=O)/N=C(\N)NCCCc1nnc(N)s1)c1cccc(F)c1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5221974 | 192882 | 0 | None | 77 | 2 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 365 | 6 | 4 | 5 | 1.6 | CC(NC(=O)/N=C(\N)NCCCc1nnc(N)s1)c1cccc(F)c1 | 10.1021/acs.jmedchem.1c00692 | ||
| 155525816 | 171054 | 0 | None | 7 | 2 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 257 | 1 | 1 | 3 | 3.3 | CC1CCCc2c(-c3ccc(F)cc3)nc(N)nc21 | 10.1021/acs.jmedchem.9b00241 | ||
| CHEMBL4456972 | 171054 | 0 | None | 7 | 2 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 257 | 1 | 1 | 3 | 3.3 | CC1CCCc2c(-c3ccc(F)cc3)nc(N)nc21 | 10.1021/acs.jmedchem.9b00241 | ||
| 155553964 | 175457 | 0 | None | 11 | 2 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 273 | 1 | 1 | 3 | 3.8 | CC1CCCc2c(-c3ccc(Cl)cc3)nc(N)nc21 | 10.1021/acs.jmedchem.9b00241 | ||
| CHEMBL4576986 | 175457 | 0 | None | 11 | 2 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 273 | 1 | 1 | 3 | 3.8 | CC1CCCc2c(-c3ccc(Cl)cc3)nc(N)nc21 | 10.1021/acs.jmedchem.9b00241 | ||
| 155565842 | 175616 | 0 | None | -5 | 2 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 317 | 1 | 1 | 3 | 3.9 | CC1CCCc2c(-c3cccc(Br)c3)nc(N)nc21 | 10.1021/acs.jmedchem.9b00241 | ||
| CHEMBL4580450 | 175616 | 0 | None | -5 | 2 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 317 | 1 | 1 | 3 | 3.9 | CC1CCCc2c(-c3cccc(Br)c3)nc(N)nc21 | 10.1021/acs.jmedchem.9b00241 | ||
| 164614549 | 184943 | 0 | None | -2 | 3 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 340 | 9 | 4 | 4 | 2.2 | CCCCCCNC(=O)/N=C(\N)NCCCc1sc(N)nc1C | 10.1016/j.ejmech.2021.113190 | ||
| CHEMBL4853668 | 184943 | 0 | None | -2 | 3 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 340 | 9 | 4 | 4 | 2.2 | CCCCCCNC(=O)/N=C(\N)NCCCc1sc(N)nc1C | 10.1016/j.ejmech.2021.113190 | ||
| 59868 | 94154 | 60 | None | - | 1 | Human | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 211 | 3 | 2 | 4 | 1.6 | CCCN[C@@H]1CCc2nc(N)sc2C1 | 10.1016/j.ejmech.2021.113190 | ||
| CHEMBL249420 | 94154 | 60 | None | - | 1 | Human | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 211 | 3 | 2 | 4 | 1.6 | CCCN[C@@H]1CCc2nc(N)sc2C1 | 10.1016/j.ejmech.2021.113190 | ||
| 155532722 | 171785 | 0 | None | 3 | 2 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 253 | 1 | 1 | 3 | 3.5 | Cc1ccc(-c2nc(N)nc3c2CCCC3C)cc1 | 10.1021/acs.jmedchem.9b00241 | ||
| CHEMBL4467878 | 171785 | 0 | None | 3 | 2 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 253 | 1 | 1 | 3 | 3.5 | Cc1ccc(-c2nc(N)nc3c2CCCC3C)cc1 | 10.1021/acs.jmedchem.9b00241 | ||
| CHEMBL5090859 | 215283 | 0 | None | - | 1 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | None | None | None | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NCCCCCCCCCC[n+]1c(C)cc(/C=C/C=C/c2ccc(N(C)C)cc2)cc1C | 10.1016/j.bmcl.2021.128388 | ||||
| 155532722 | 171785 | 0 | None | 3 | 2 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 253 | 1 | 1 | 3 | 3.5 | Cc1ccc(-c2nc(N)nc3c2CCCC3C)cc1 | 10.1021/acs.jmedchem.9b00241 | ||
| CHEMBL4467878 | 171785 | 0 | None | 3 | 2 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 253 | 1 | 1 | 3 | 3.5 | Cc1ccc(-c2nc(N)nc3c2CCCC3C)cc1 | 10.1021/acs.jmedchem.9b00241 | ||
| 44481758 | 5714 | 0 | None | - | 1 | Human | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 324 | 9 | 3 | 3 | 2.4 | N#C/N=C(\NCCCCc1ccccc1)NCCCc1c[nH]cn1 | 10.1021/jm900526h | ||
| CHEMBL1078212 | 5714 | 0 | None | - | 1 | Human | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 324 | 9 | 3 | 3 | 2.4 | N#C/N=C(\NCCCCc1ccccc1)NCCCc1c[nH]cn1 | 10.1021/jm900526h | ||
| 46887079 | 8509 | 0 | None | 478 | 3 | Human | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 365 | 7 | 4 | 5 | 3.2 | Cc1nc(N)sc1CCCNC(=N)NC(=O)CC(C)C1CCCCC1 | 10.1016/j.bmcl.2010.03.082 | ||
| CHEMBL1094142 | 8509 | 0 | None | 478 | 3 | Human | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 365 | 7 | 4 | 5 | 3.2 | Cc1nc(N)sc1CCCNC(=N)NC(=O)CC(C)C1CCCCC1 | 10.1016/j.bmcl.2010.03.082 | ||
| 56954229 | 82075 | 0 | None | - | 1 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 648 | 23 | 6 | 8 | 4.7 | N/C(=N\C(=O)CCCCCCCCCCCCCCC(=O)/N=C(\N)NCCCc1cnc(N)s1)NCCCc1cnc(N)s1 | 10.1021/jm201128q | ||
| CHEMBL2165638 | 82075 | 0 | None | - | 1 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 648 | 23 | 6 | 8 | 4.7 | N/C(=N\C(=O)CCCCCCCCCCCCCCC(=O)/N=C(\N)NCCCc1cnc(N)s1)NCCCc1cnc(N)s1 | 10.1021/jm201128q | ||
| CHEMBL5094083 | 215467 | 0 | None | - | 1 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | None | None | None | C=C(/N=C(\C)NCCCc1nnc(N)s1)NCCCCCCCCN | 10.1016/j.bmcl.2021.128388 | ||||
| 155559319 | 174863 | 0 | None | 13 | 2 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 239 | 1 | 1 | 3 | 3.2 | CC1CCCc2c(-c3ccccc3)nc(N)nc21 | 10.1021/acs.jmedchem.9b00241 | ||
| CHEMBL4563363 | 174863 | 0 | None | 13 | 2 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 239 | 1 | 1 | 3 | 3.2 | CC1CCCc2c(-c3ccccc3)nc(N)nc21 | 10.1021/acs.jmedchem.9b00241 | ||
| 1204 | 1932 | 119 | None | -64 | 10 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1016/j.ejmech.2021.113190 | ||
| 1247 | 1932 | 119 | None | -64 | 10 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1016/j.ejmech.2021.113190 | ||
| 1375 | 1932 | 119 | None | -64 | 10 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1016/j.ejmech.2021.113190 | ||
| 774 | 1932 | 119 | None | -64 | 10 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1016/j.ejmech.2021.113190 | ||
| CHEMBL90 | 1932 | 119 | None | -64 | 10 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1016/j.ejmech.2021.113190 | ||
| DB05381 | 1932 | 119 | None | -64 | 10 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1016/j.ejmech.2021.113190 | ||
| 44281005 | 116731 | 0 | None | - | 3 | Rat | 6.0 | pKd | = | 6 | Functional | ChEMBL | 787 | 17 | 4 | 8 | 6.4 | Cc1cccc(NC(=O)N[C@@H]2N=C(c3ccccc3)c3ccccc3N(CCOC(=O)NCCCC(=O)NCCCOc3cccc(CN4CCCCC4)c3)C2=O)c1 | 10.1016/S0960-894X(96)00249-1 | ||
| CHEMBL33743 | 116731 | 0 | None | - | 3 | Rat | 6.0 | pKd | = | 6 | Functional | ChEMBL | 787 | 17 | 4 | 8 | 6.4 | Cc1cccc(NC(=O)N[C@@H]2N=C(c3ccccc3)c3ccccc3N(CCOC(=O)NCCCC(=O)NCCCOc3cccc(CN4CCCCC4)c3)C2=O)c1 | 10.1016/S0960-894X(96)00249-1 | ||
| CHEMBL432671 | 168095 | 0 | None | - | 3 | Rat | 6.0 | pKd | = | 6 | Functional | ChEMBL | 784 | 15 | 7 | 12 | 3.1 | CN1C(=O)[C@H](NC(=O)Nc2cccc(COC(=O)NCNC(=O)CC(=O)NCCSCc3csc(C=C(N)N)n3)c2)N=C(c2ccccc2)c2ccccc21 | 10.1016/S0960-894X(96)00249-1 | ||
| 44280028 | 99177 | 0 | None | - | 3 | Rat | 6.0 | pKd | = | 6 | Functional | ChEMBL | 768 | 17 | 6 | 9 | 4.3 | CN1C(=O)[C@H](NC(=O)Nc2cccc(CC(=O)NCCCCCC(=O)NCCSCc3csc(N=C(N)N)n3)c2)N=C(c2ccccc2)c2ccccc21 | 10.1016/S0960-894X(96)00248-X | ||
| CHEMBL281318 | 99177 | 0 | None | - | 3 | Rat | 6.0 | pKd | = | 6 | Functional | ChEMBL | 768 | 17 | 6 | 9 | 4.3 | CN1C(=O)[C@H](NC(=O)Nc2cccc(CC(=O)NCCCCCC(=O)NCCSCc3csc(N=C(N)N)n3)c2)N=C(c2ccccc2)c2ccccc21 | 10.1016/S0960-894X(96)00248-X | ||
| 9896825 | 102977 | 0 | None | - | 3 | Rat | 6.0 | pKd | = | 6 | Functional | ChEMBL | 742 | 14 | 6 | 10 | 2.9 | Cc1cccc(NC(=O)NC2N=C(c3cccc(OCC(=O)NCC(=O)NCCSCc4csc(N=C(N)N)n4)c3)c3ccccc3N(C)C2=O)c1 | 10.1016/S0960-894X(96)00248-X | ||
| CHEMBL30656 | 102977 | 0 | None | - | 3 | Rat | 6.0 | pKd | = | 6 | Functional | ChEMBL | 742 | 14 | 6 | 10 | 2.9 | Cc1cccc(NC(=O)NC2N=C(c3cccc(OCC(=O)NCC(=O)NCCSCc4csc(N=C(N)N)n4)c3)c3ccccc3N(C)C2=O)c1 | 10.1016/S0960-894X(96)00248-X | ||
| 44281078 | 99743 | 0 | None | - | 3 | Rat | 5.9 | pKd | = | 5.9 | Functional | ChEMBL | 773 | 16 | 4 | 8 | 5.9 | CN1C(=O)[C@H](NC(=O)Nc2cccc(CCOC(=O)NCCC(=O)NCCCOc3cccc(CN4CCCCC4)c3)c2)N=C(c2ccccc2)c2ccccc21 | 10.1016/S0960-894X(96)00249-1 | ||
| CHEMBL284975 | 99743 | 0 | None | - | 3 | Rat | 5.9 | pKd | = | 5.9 | Functional | ChEMBL | 773 | 16 | 4 | 8 | 5.9 | CN1C(=O)[C@H](NC(=O)Nc2cccc(CCOC(=O)NCCC(=O)NCCCOc3cccc(CN4CCCCC4)c3)c2)N=C(c2ccccc2)c2ccccc21 | 10.1016/S0960-894X(96)00249-1 | ||
| 44280714 | 100033 | 0 | None | - | 3 | Rat | 5.9 | pKd | = | 5.9 | Functional | ChEMBL | 726 | 14 | 6 | 9 | 3.2 | Cc1cccc(NC(=O)NC2N=C(c3ccccc3)c3ccccc3N(CC(=O)NCCC(=O)NCCSCc3csc(N=C(N)N)n3)C2=O)c1 | 10.1016/S0960-894X(96)00248-X | ||
| CHEMBL286908 | 100033 | 0 | None | - | 3 | Rat | 5.9 | pKd | = | 5.9 | Functional | ChEMBL | 726 | 14 | 6 | 9 | 3.2 | Cc1cccc(NC(=O)NC2N=C(c3ccccc3)c3ccccc3N(CC(=O)NCCC(=O)NCCSCc3csc(N=C(N)N)n3)C2=O)c1 | 10.1016/S0960-894X(96)00248-X | ||
| 44281291 | 99825 | 0 | None | - | 0 | Rat | 7.8 | pKd | = | 7.8 | Functional | ChEMBL | 433 | 11 | 2 | 5 | 3.9 | CC(C)(C)OC(=O)NCCCC(=O)NCCCOc1cccc(CN2CCCCC2)c1 | 10.1016/S0960-894X(96)00249-1 | ||
| CHEMBL285556 | 99825 | 0 | None | - | 0 | Rat | 7.8 | pKd | = | 7.8 | Functional | ChEMBL | 433 | 11 | 2 | 5 | 3.9 | CC(C)(C)OC(=O)NCCCC(=O)NCCCOc1cccc(CN2CCCCC2)c1 | 10.1016/S0960-894X(96)00249-1 | ||
| 44281292 | 114794 | 0 | None | - | 3 | Rat | 6.8 | pKd | = | 6.8 | Functional | ChEMBL | 816 | 17 | 5 | 9 | 5.0 | CN1C(=O)[C@H](NC(=O)Nc2cccc(COC(=O)NCCNC(=O)CC(=O)NCCCOc3cccc(CN4CCCCC4)c3)c2)N=C(c2ccccc2)c2ccccc21 | 10.1016/S0960-894X(96)00249-1 | ||
| CHEMBL33398 | 114794 | 0 | None | - | 3 | Rat | 6.8 | pKd | = | 6.8 | Functional | ChEMBL | 816 | 17 | 5 | 9 | 5.0 | CN1C(=O)[C@H](NC(=O)Nc2cccc(COC(=O)NCCNC(=O)CC(=O)NCCCOc3cccc(CN4CCCCC4)c3)c2)N=C(c2ccccc2)c2ccccc21 | 10.1016/S0960-894X(96)00249-1 | ||
| CHEMBL286835 | 100019 | 0 | None | - | 0 | Rat | 5.7 | pKd | = | 5.7 | Functional | ChEMBL | 755 | 14 | 6 | 11 | 4.5 | Cc1cccc(NC(=O)N[C@@H]2N=C(c3cccc(OC(=O)NCCCC(=O)NCCSCc4csc(C=C(N)N)n4)c3)c3ccccc3N(C)C2=O)c1 | 10.1016/S0960-894X(96)00249-1 | ||
| 1231 | 937 | 116 | None | - | 4 | Rat | 6.6 | pKd | = | 6.6 | Functional | ChEMBL | 252 | 5 | 3 | 4 | 0.6 | N#CNC(=NC)NCCSCc1nc[nH]c1C | 10.1016/S0960-894X(96)00249-1 | ||
| 2756 | 937 | 116 | None | - | 4 | Rat | 6.6 | pKd | = | 6.6 | Functional | ChEMBL | 252 | 5 | 3 | 4 | 0.6 | N#CNC(=NC)NCCSCc1nc[nH]c1C | 10.1016/S0960-894X(96)00249-1 | ||
| 645 | 937 | 116 | None | - | 4 | Rat | 6.6 | pKd | = | 6.6 | Functional | ChEMBL | 252 | 5 | 3 | 4 | 0.6 | N#CNC(=NC)NCCSCc1nc[nH]c1C | 10.1016/S0960-894X(96)00249-1 | ||
| CHEMBL30 | 937 | 116 | None | - | 4 | Rat | 6.6 | pKd | = | 6.6 | Functional | ChEMBL | 252 | 5 | 3 | 4 | 0.6 | N#CNC(=NC)NCCSCc1nc[nH]c1C | 10.1016/S0960-894X(96)00249-1 | ||
| DB00501 | 937 | 116 | None | - | 4 | Rat | 6.6 | pKd | = | 6.6 | Functional | ChEMBL | 252 | 5 | 3 | 4 | 0.6 | N#CNC(=NC)NCCSCc1nc[nH]c1C | 10.1016/S0960-894X(96)00249-1 | ||
| 44281020 | 116644 | 0 | None | - | 3 | Rat | 6.6 | pKd | = | 6.6 | Functional | ChEMBL | 773 | 16 | 4 | 8 | 6.2 | CN1C(=O)[C@H](NC(=O)Nc2cccc(COC(=O)NCCCC(=O)NCCCOc3cccc(CN4CCCCC4)c3)c2)N=C(c2ccccc2)c2ccccc21 | 10.1016/S0960-894X(96)00249-1 | ||
| CHEMBL33698 | 116644 | 0 | None | - | 3 | Rat | 6.6 | pKd | = | 6.6 | Functional | ChEMBL | 773 | 16 | 4 | 8 | 6.2 | CN1C(=O)[C@H](NC(=O)Nc2cccc(COC(=O)NCCCC(=O)NCCCOc3cccc(CN4CCCCC4)c3)c2)N=C(c2ccccc2)c2ccccc21 | 10.1016/S0960-894X(96)00249-1 | ||
| 1231 | 937 | 116 | None | - | 4 | Rat | 6.6 | pKd | = | 6.6 | Functional | ChEMBL | 252 | 5 | 3 | 4 | 0.6 | N#CNC(=NC)NCCSCc1nc[nH]c1C | 10.1016/S0960-894X(96)00248-X | ||
| 2756 | 937 | 116 | None | - | 4 | Rat | 6.6 | pKd | = | 6.6 | Functional | ChEMBL | 252 | 5 | 3 | 4 | 0.6 | N#CNC(=NC)NCCSCc1nc[nH]c1C | 10.1016/S0960-894X(96)00248-X | ||
| 645 | 937 | 116 | None | - | 4 | Rat | 6.6 | pKd | = | 6.6 | Functional | ChEMBL | 252 | 5 | 3 | 4 | 0.6 | N#CNC(=NC)NCCSCc1nc[nH]c1C | 10.1016/S0960-894X(96)00248-X | ||
| CHEMBL30 | 937 | 116 | None | - | 4 | Rat | 6.6 | pKd | = | 6.6 | Functional | ChEMBL | 252 | 5 | 3 | 4 | 0.6 | N#CNC(=NC)NCCSCc1nc[nH]c1C | 10.1016/S0960-894X(96)00248-X | ||
| DB00501 | 937 | 116 | None | - | 4 | Rat | 6.6 | pKd | = | 6.6 | Functional | ChEMBL | 252 | 5 | 3 | 4 | 0.6 | N#CNC(=NC)NCCSCc1nc[nH]c1C | 10.1016/S0960-894X(96)00248-X | ||
| 44279811 | 96925 | 0 | None | - | 3 | Rat | 6.6 | pKd | = | 6.6 | Functional | ChEMBL | 743 | 15 | 4 | 7 | 5.3 | CN1C(=O)[C@H](NC(=O)Nc2cccc(CC(=O)NCCC(=O)NCCCOc3cccc(CN4CCCCC4)c3)c2)N=C(c2ccccc2)c2ccccc21 | 10.1016/S0960-894X(96)00248-X | ||
| CHEMBL265987 | 96925 | 0 | None | - | 3 | Rat | 6.6 | pKd | = | 6.6 | Functional | ChEMBL | 743 | 15 | 4 | 7 | 5.3 | CN1C(=O)[C@H](NC(=O)Nc2cccc(CC(=O)NCCC(=O)NCCCOc3cccc(CN4CCCCC4)c3)c2)N=C(c2ccccc2)c2ccccc21 | 10.1016/S0960-894X(96)00248-X | ||
| 44281204 | 99850 | 0 | None | - | 3 | Rat | 6.5 | pKd | = | 6.5 | Functional | ChEMBL | 871 | 18 | 4 | 10 | 5.5 | CN1C(=O)[C@H](NC(=O)Nc2cccc(COC(=O)NCCCN3CCN(C(=O)CNCCCOc4cccc(CN5CCCCC5)c4)CC3)c2)N=C(c2ccccc2)c2ccccc21 | 10.1016/S0960-894X(96)00249-1 | ||
| CHEMBL285719 | 99850 | 0 | None | - | 3 | Rat | 6.5 | pKd | = | 6.5 | Functional | ChEMBL | 871 | 18 | 4 | 10 | 5.5 | CN1C(=O)[C@H](NC(=O)Nc2cccc(COC(=O)NCCCN3CCN(C(=O)CNCCCOc4cccc(CN5CCCCC5)c4)CC3)c2)N=C(c2ccccc2)c2ccccc21 | 10.1016/S0960-894X(96)00249-1 | ||
| 44280741 | 156562 | 0 | None | - | 3 | Rat | 6.5 | pKd | = | 6.5 | Functional | ChEMBL | 759 | 15 | 4 | 8 | 5.8 | CN1C(=O)[C@H](NC(=O)Nc2cccc(COC(=O)NCCC(=O)NCCCOc3cccc(CN4CCCCC4)c3)c2)N=C(c2ccccc2)c2ccccc21 | 10.1016/S0960-894X(96)00249-1 | ||
| CHEMBL406844 | 156562 | 0 | None | - | 3 | Rat | 6.5 | pKd | = | 6.5 | Functional | ChEMBL | 759 | 15 | 4 | 8 | 5.8 | CN1C(=O)[C@H](NC(=O)Nc2cccc(COC(=O)NCCC(=O)NCCCOc3cccc(CN4CCCCC4)c3)c2)N=C(c2ccccc2)c2ccccc21 | 10.1016/S0960-894X(96)00249-1 | ||
| 44280372 | 99387 | 0 | None | - | 3 | Rat | 6.5 | pKd | = | 6.5 | Functional | ChEMBL | 787 | 17 | 4 | 8 | 5.8 | Cc1cccc(NC(=O)NC2N=C(c3cccc(OCC(=O)NCCCC(=O)NCCCOc4cccc(CN5CCCCC5)c4)c3)c3ccccc3N(C)C2=O)c1 | 10.1016/S0960-894X(96)00248-X | ||
| CHEMBL282645 | 99387 | 0 | None | - | 3 | Rat | 6.5 | pKd | = | 6.5 | Functional | ChEMBL | 787 | 17 | 4 | 8 | 5.8 | Cc1cccc(NC(=O)NC2N=C(c3cccc(OCC(=O)NCCCC(=O)NCCCOc4cccc(CN5CCCCC5)c4)c3)c3ccccc3N(C)C2=O)c1 | 10.1016/S0960-894X(96)00248-X | ||
| CHEMBL282175 | 99321 | 0 | None | - | 3 | Rat | 5.5 | pKd | = | 5.5 | Functional | ChEMBL | 769 | 16 | 6 | 11 | 4.6 | Cc1cccc(NC(=O)N[C@@H]2N=C(c3ccccc3)c3ccccc3N(CCOC(=O)NCCCC(=O)NCCSCc3csc(C=C(N)N)n3)C2=O)c1 | 10.1016/S0960-894X(96)00249-1 | ||
| 44280713 | 100032 | 0 | None | - | 3 | Rat | 5.5 | pKd | = | 5.5 | Functional | ChEMBL | 740 | 15 | 6 | 9 | 3.6 | Cc1cccc(NC(=O)NC2N=C(c3ccccc3)c3ccccc3N(CC(=O)NCCCC(=O)NCCSCc3csc(N=C(N)N)n3)C2=O)c1 | 10.1016/S0960-894X(96)00248-X | ||
| CHEMBL286907 | 100032 | 0 | None | - | 3 | Rat | 5.5 | pKd | = | 5.5 | Functional | ChEMBL | 740 | 15 | 6 | 9 | 3.6 | Cc1cccc(NC(=O)NC2N=C(c3ccccc3)c3ccccc3N(CC(=O)NCCCC(=O)NCCSCc3csc(N=C(N)N)n3)C2=O)c1 | 10.1016/S0960-894X(96)00248-X | ||
| 44280740 | 100407 | 0 | None | - | 3 | Rat | 6.4 | pKd | = | 6.4 | Functional | ChEMBL | 787 | 17 | 4 | 8 | 6.3 | CN1C(=O)[C@H](NC(=O)Nc2cccc(CCOC(=O)NCCCC(=O)NCCCOc3cccc(CN4CCCCC4)c3)c2)N=C(c2ccccc2)c2ccccc21 | 10.1016/S0960-894X(96)00249-1 | ||
| CHEMBL290122 | 100407 | 0 | None | - | 3 | Rat | 6.4 | pKd | = | 6.4 | Functional | ChEMBL | 787 | 17 | 4 | 8 | 6.3 | CN1C(=O)[C@H](NC(=O)Nc2cccc(CCOC(=O)NCCCC(=O)NCCCOc3cccc(CN4CCCCC4)c3)c2)N=C(c2ccccc2)c2ccccc21 | 10.1016/S0960-894X(96)00249-1 | ||
| 44280200 | 100824 | 0 | None | - | 3 | Rat | 6.4 | pKd | = | 6.4 | Functional | ChEMBL | 785 | 18 | 4 | 7 | 6.6 | Cc1cccc(NC(=O)NC2N=C(c3ccccc3)c3ccccc3N(CC(=O)NCCCCCC(=O)NCCCOc3cccc(CN4CCCCC4)c3)C2=O)c1 | 10.1016/S0960-894X(96)00248-X | ||
| CHEMBL29331 | 100824 | 0 | None | - | 3 | Rat | 6.4 | pKd | = | 6.4 | Functional | ChEMBL | 785 | 18 | 4 | 7 | 6.6 | Cc1cccc(NC(=O)NC2N=C(c3ccccc3)c3ccccc3N(CC(=O)NCCCCCC(=O)NCCCOc3cccc(CN4CCCCC4)c3)C2=O)c1 | 10.1016/S0960-894X(96)00248-X | ||
| 44279861 | 103184 | 0 | None | - | 3 | Rat | 6.4 | pKd | = | 6.4 | Functional | ChEMBL | 726 | 14 | 6 | 9 | 3.1 | CN1C(=O)[C@H](NC(=O)Nc2cccc(CC(=O)NCCC(=O)NCCSCc3csc(N=C(N)N)n3)c2)N=C(c2ccccc2)c2ccccc21 | 10.1016/S0960-894X(96)00248-X | ||
| CHEMBL30821 | 103184 | 0 | None | - | 3 | Rat | 6.4 | pKd | = | 6.4 | Functional | ChEMBL | 726 | 14 | 6 | 9 | 3.1 | CN1C(=O)[C@H](NC(=O)Nc2cccc(CC(=O)NCCC(=O)NCCSCc3csc(N=C(N)N)n3)c2)N=C(c2ccccc2)c2ccccc21 | 10.1016/S0960-894X(96)00248-X | ||
| 44279810 | 103844 | 0 | None | - | 3 | Rat | 6.4 | pKd | = | 6.4 | Functional | ChEMBL | 757 | 16 | 4 | 7 | 5.7 | CN1C(=O)[C@H](NC(=O)Nc2cccc(CC(=O)NCCCC(=O)NCCCOc3cccc(CN4CCCCC4)c3)c2)N=C(c2ccccc2)c2ccccc21 | 10.1016/S0960-894X(96)00248-X | ||
| CHEMBL30917 | 103844 | 0 | None | - | 3 | Rat | 6.4 | pKd | = | 6.4 | Functional | ChEMBL | 757 | 16 | 4 | 7 | 5.7 | CN1C(=O)[C@H](NC(=O)Nc2cccc(CC(=O)NCCCC(=O)NCCCOc3cccc(CN4CCCCC4)c3)c2)N=C(c2ccccc2)c2ccccc21 | 10.1016/S0960-894X(96)00248-X | ||
| 44279808 | 99141 | 0 | None | - | 3 | Rat | 5.4 | pKd | = | 5.4 | Functional | ChEMBL | 712 | 13 | 6 | 9 | 2.9 | Cc1cccc(NC(=O)NC2N=C(c3ccccc3)c3ccccc3N(CC(=O)NCC(=O)NCCSCc3csc(N=C(N)N)n3)C2=O)c1 | 10.1016/S0960-894X(96)00248-X | ||
| CHEMBL281082 | 99141 | 0 | None | - | 3 | Rat | 5.4 | pKd | = | 5.4 | Functional | ChEMBL | 712 | 13 | 6 | 9 | 2.9 | Cc1cccc(NC(=O)NC2N=C(c3ccccc3)c3ccccc3N(CC(=O)NCC(=O)NCCSCc3csc(N=C(N)N)n3)C2=O)c1 | 10.1016/S0960-894X(96)00248-X | ||
| 135881774 | 99658 | 0 | None | - | 0 | Rat | 7.3 | pKd | = | 7.3 | Functional | ChEMBL | 415 | 10 | 4 | 8 | 2.0 | CC(C)(C)OC(=O)NCCCC(=O)NCCSCc1csc(C=C(N)N)n1 | 10.1016/S0960-894X(96)00249-1 | ||
| CHEMBL284374 | 99658 | 0 | None | - | 0 | Rat | 7.3 | pKd | = | 7.3 | Functional | ChEMBL | 415 | 10 | 4 | 8 | 2.0 | CC(C)(C)OC(=O)NCCCC(=O)NCCSCc1csc(C=C(N)N)n1 | 10.1016/S0960-894X(96)00249-1 | ||
| 44281004 | 100079 | 0 | None | - | 3 | Rat | 6.3 | pKd | = | 6.3 | Functional | ChEMBL | 773 | 15 | 4 | 8 | 6.4 | Cc1cccc(NC(=O)N[C@@H]2N=C(c3cccc(OC(=O)NCCCC(=O)NCCCOc4cccc(CN5CCCCC5)c4)c3)c3ccccc3N(C)C2=O)c1 | 10.1016/S0960-894X(96)00249-1 | ||
| CHEMBL287295 | 100079 | 0 | None | - | 3 | Rat | 6.3 | pKd | = | 6.3 | Functional | ChEMBL | 773 | 15 | 4 | 8 | 6.4 | Cc1cccc(NC(=O)N[C@@H]2N=C(c3cccc(OC(=O)NCCCC(=O)NCCCOc4cccc(CN5CCCCC5)c4)c3)c3ccccc3N(C)C2=O)c1 | 10.1016/S0960-894X(96)00249-1 | ||
| 44280029 | 96441 | 0 | None | - | 3 | Rat | 6.3 | pKd | = | 6.3 | Functional | ChEMBL | 740 | 15 | 6 | 9 | 3.5 | CN1C(=O)[C@H](NC(=O)Nc2cccc(CC(=O)NCCCC(=O)NCCSCc3csc(N=C(N)N)n3)c2)N=C(c2ccccc2)c2ccccc21 | 10.1016/S0960-894X(96)00248-X | ||
| CHEMBL262125 | 96441 | 0 | None | - | 3 | Rat | 6.3 | pKd | = | 6.3 | Functional | ChEMBL | 740 | 15 | 6 | 9 | 3.5 | CN1C(=O)[C@H](NC(=O)Nc2cccc(CC(=O)NCCCC(=O)NCCSCc3csc(N=C(N)N)n3)c2)N=C(c2ccccc2)c2ccccc21 | 10.1016/S0960-894X(96)00248-X | ||
| 44280373 | 99388 | 0 | None | - | 3 | Rat | 6.3 | pKd | = | 6.3 | Functional | ChEMBL | 773 | 16 | 4 | 8 | 5.4 | Cc1cccc(NC(=O)NC2N=C(c3cccc(OCC(=O)NCCC(=O)NCCCOc4cccc(CN5CCCCC5)c4)c3)c3ccccc3N(C)C2=O)c1 | 10.1016/S0960-894X(96)00248-X | ||
| CHEMBL282646 | 99388 | 0 | None | - | 3 | Rat | 6.3 | pKd | = | 6.3 | Functional | ChEMBL | 773 | 16 | 4 | 8 | 5.4 | Cc1cccc(NC(=O)NC2N=C(c3cccc(OCC(=O)NCCC(=O)NCCCOc4cccc(CN5CCCCC5)c4)c3)c3ccccc3N(C)C2=O)c1 | 10.1016/S0960-894X(96)00248-X | ||
| 44280388 | 116869 | 0 | None | - | 3 | Rat | 6.3 | pKd | = | 6.3 | Functional | ChEMBL | 759 | 15 | 4 | 8 | 5.0 | Cc1cccc(NC(=O)NC2N=C(c3cccc(OCC(=O)NCC(=O)NCCCOc4cccc(CN5CCCCC5)c4)c3)c3ccccc3N(C)C2=O)c1 | 10.1016/S0960-894X(96)00248-X | ||
| CHEMBL33819 | 116869 | 0 | None | - | 3 | Rat | 6.3 | pKd | = | 6.3 | Functional | ChEMBL | 759 | 15 | 4 | 8 | 5.0 | Cc1cccc(NC(=O)NC2N=C(c3cccc(OCC(=O)NCC(=O)NCCCOc4cccc(CN5CCCCC5)c4)c3)c3ccccc3N(C)C2=O)c1 | 10.1016/S0960-894X(96)00248-X | ||
| 44279862 | 99130 | 0 | None | - | 3 | Rat | 5.3 | pKd | = | 5.3 | Functional | ChEMBL | 702 | 13 | 3 | 7 | 5.9 | Cc1cccc(NC(=O)NC2N=C(c3cccc(OCC(=O)NCCCOc4cccc(CN5CCCCC5)c4)c3)c3ccccc3N(C)C2=O)c1 | 10.1016/S0960-894X(96)00248-X | ||
| CHEMBL281017 | 99130 | 0 | None | - | 3 | Rat | 5.3 | pKd | = | 5.3 | Functional | ChEMBL | 702 | 13 | 3 | 7 | 5.9 | Cc1cccc(NC(=O)NC2N=C(c3cccc(OCC(=O)NCCCOc4cccc(CN5CCCCC5)c4)c3)c3ccccc3N(C)C2=O)c1 | 10.1016/S0960-894X(96)00248-X | ||
| 44280213 | 101618 | 0 | None | - | 3 | Rat | 5.3 | pKd | = | 5.3 | Functional | ChEMBL | 685 | 12 | 5 | 9 | 3.7 | Cc1cccc(NC(=O)NC2N=C(c3cccc(OCC(=O)NCCSCc4csc(N=C(N)N)n4)c3)c3ccccc3N(C)C2=O)c1 | 10.1016/S0960-894X(96)00248-X | ||
| CHEMBL29888 | 101618 | 0 | None | - | 3 | Rat | 5.3 | pKd | = | 5.3 | Functional | ChEMBL | 685 | 12 | 5 | 9 | 3.7 | Cc1cccc(NC(=O)NC2N=C(c3cccc(OCC(=O)NCCSCc4csc(N=C(N)N)n4)c3)c3ccccc3N(C)C2=O)c1 | 10.1016/S0960-894X(96)00248-X | ||
| 44281205 | 114818 | 0 | None | - | 3 | Rat | 6.2 | pKd | = | 6.2 | Functional | ChEMBL | 857 | 17 | 4 | 10 | 5.1 | CN1C(=O)[C@H](NC(=O)Nc2cccc(COC(=O)NCCN3CCN(C(=O)CNCCCOc4cccc(CN5CCCCC5)c4)CC3)c2)N=C(c2ccccc2)c2ccccc21 | 10.1016/S0960-894X(96)00249-1 | ||
| CHEMBL33412 | 114818 | 0 | None | - | 3 | Rat | 6.2 | pKd | = | 6.2 | Functional | ChEMBL | 857 | 17 | 4 | 10 | 5.1 | CN1C(=O)[C@H](NC(=O)Nc2cccc(COC(=O)NCCN3CCN(C(=O)CNCCCOc4cccc(CN5CCCCC5)c4)CC3)c2)N=C(c2ccccc2)c2ccccc21 | 10.1016/S0960-894X(96)00249-1 | ||
| 44279809 | 98967 | 0 | None | - | 3 | Rat | 6.2 | pKd | = | 6.2 | Functional | ChEMBL | 785 | 18 | 4 | 7 | 6.4 | CN1C(=O)[C@H](NC(=O)Nc2cccc(CC(=O)NCCCCCC(=O)NCCCOc3cccc(CN4CCCCC4)c3)c2)N=C(c2ccccc2)c2ccccc21 | 10.1016/S0960-894X(96)00248-X | ||
| CHEMBL279778 | 98967 | 0 | None | - | 3 | Rat | 6.2 | pKd | = | 6.2 | Functional | ChEMBL | 785 | 18 | 4 | 7 | 6.4 | CN1C(=O)[C@H](NC(=O)Nc2cccc(CC(=O)NCCCCCC(=O)NCCCOc3cccc(CN4CCCCC4)c3)c2)N=C(c2ccccc2)c2ccccc21 | 10.1016/S0960-894X(96)00248-X | ||
| 44280371 | 103028 | 0 | None | - | 3 | Rat | 6.2 | pKd | = | 6.2 | Functional | ChEMBL | 815 | 19 | 4 | 8 | 6.6 | Cc1cccc(NC(=O)NC2N=C(c3cccc(OCC(=O)NCCCCCC(=O)NCCCOc4cccc(CN5CCCCC5)c4)c3)c3ccccc3N(C)C2=O)c1 | 10.1016/S0960-894X(96)00248-X | ||
| CHEMBL30701 | 103028 | 0 | None | - | 3 | Rat | 6.2 | pKd | = | 6.2 | Functional | ChEMBL | 815 | 19 | 4 | 8 | 6.6 | Cc1cccc(NC(=O)NC2N=C(c3cccc(OCC(=O)NCCCCCC(=O)NCCCOc4cccc(CN5CCCCC5)c4)c3)c3ccccc3N(C)C2=O)c1 | 10.1016/S0960-894X(96)00248-X | ||
| 44280214 | 107302 | 0 | None | - | 3 | Rat | 6.2 | pKd | = | 6.2 | Functional | ChEMBL | 770 | 16 | 6 | 10 | 3.6 | Cc1cccc(NC(=O)NC2N=C(c3cccc(OCC(=O)NCCCC(=O)NCCSCc4csc(N=C(N)N)n4)c3)c3ccccc3N(C)C2=O)c1 | 10.1016/S0960-894X(96)00248-X | ||
| CHEMBL31726 | 107302 | 0 | None | - | 3 | Rat | 6.2 | pKd | = | 6.2 | Functional | ChEMBL | 770 | 16 | 6 | 10 | 3.6 | Cc1cccc(NC(=O)NC2N=C(c3cccc(OCC(=O)NCCCC(=O)NCCSCc4csc(N=C(N)N)n4)c3)c3ccccc3N(C)C2=O)c1 | 10.1016/S0960-894X(96)00248-X | ||
| 44280266 | 98777 | 0 | None | - | 3 | Rat | 5.2 | pKd | = | 5.2 | Functional | ChEMBL | 729 | 14 | 4 | 7 | 5.0 | Cc1cccc(NC(=O)NC2N=C(c3ccccc3)c3ccccc3N(CC(=O)NCC(=O)NCCCOc3cccc(CN4CCCCC4)c3)C2=O)c1 | 10.1016/S0960-894X(96)00248-X | ||
| CHEMBL278217 | 98777 | 0 | None | - | 3 | Rat | 5.2 | pKd | = | 5.2 | Functional | ChEMBL | 729 | 14 | 4 | 7 | 5.0 | Cc1cccc(NC(=O)NC2N=C(c3ccccc3)c3ccccc3N(CC(=O)NCC(=O)NCCCOc3cccc(CN4CCCCC4)c3)C2=O)c1 | 10.1016/S0960-894X(96)00248-X | ||
| 44280996 | 99744 | 0 | None | - | 3 | Rat | 6.1 | pKd | = | 6.1 | Functional | ChEMBL | 745 | 14 | 4 | 8 | 5.4 | CN1C(=O)[C@H](NC(=O)Nc2cccc(COC(=O)NCC(=O)NCCCOc3cccc(CN4CCCCC4)c3)c2)N=C(c2ccccc2)c2ccccc21 | 10.1016/S0960-894X(96)00249-1 | ||
| CHEMBL284976 | 99744 | 0 | None | - | 3 | Rat | 6.1 | pKd | = | 6.1 | Functional | ChEMBL | 745 | 14 | 4 | 8 | 5.4 | CN1C(=O)[C@H](NC(=O)Nc2cccc(COC(=O)NCC(=O)NCCCOc3cccc(CN4CCCCC4)c3)c2)N=C(c2ccccc2)c2ccccc21 | 10.1016/S0960-894X(96)00249-1 | ||
| CHEMBL285995 | 99892 | 0 | None | - | 3 | Rat | 6.1 | pKd | = | 6.1 | Functional | ChEMBL | 741 | 16 | 6 | 11 | 4.5 | CN1C(=O)[C@H](NC(=O)Nc2cccc(CCOC(=O)NCCCNCCSCc3csc(C=C(N)N)n3)c2)N=C(c2ccccc2)c2ccccc21 | 10.1016/S0960-894X(96)00249-1 | ||
| 44280215 | 99830 | 0 | None | - | 3 | Rat | 6.1 | pKd | = | 6.1 | Functional | ChEMBL | 756 | 15 | 6 | 10 | 3.3 | Cc1cccc(NC(=O)NC2N=C(c3cccc(OCC(=O)NCCC(=O)NCCSCc4csc(N=C(N)N)n4)c3)c3ccccc3N(C)C2=O)c1 | 10.1016/S0960-894X(96)00248-X | ||
| CHEMBL285586 | 99830 | 0 | None | - | 3 | Rat | 6.1 | pKd | = | 6.1 | Functional | ChEMBL | 756 | 15 | 6 | 10 | 3.3 | Cc1cccc(NC(=O)NC2N=C(c3cccc(OCC(=O)NCCC(=O)NCCSCc4csc(N=C(N)N)n4)c3)c3ccccc3N(C)C2=O)c1 | 10.1016/S0960-894X(96)00248-X | ||
| 44280225 | 99963 | 0 | None | - | 3 | Rat | 6.1 | pKd | = | 6.1 | Functional | ChEMBL | 743 | 15 | 4 | 7 | 5.4 | Cc1cccc(NC(=O)NC2N=C(c3ccccc3)c3ccccc3N(CC(=O)NCCC(=O)NCCCOc3cccc(CN4CCCCC4)c3)C2=O)c1 | 10.1016/S0960-894X(96)00248-X | ||
| CHEMBL286475 | 99963 | 0 | None | - | 3 | Rat | 6.1 | pKd | = | 6.1 | Functional | ChEMBL | 743 | 15 | 4 | 7 | 5.4 | Cc1cccc(NC(=O)NC2N=C(c3ccccc3)c3ccccc3N(CC(=O)NCCC(=O)NCCCOc3cccc(CN4CCCCC4)c3)C2=O)c1 | 10.1016/S0960-894X(96)00248-X | ||
| 44280224 | 104784 | 0 | None | - | 3 | Rat | 6.1 | pKd | = | 6.1 | Functional | ChEMBL | 757 | 16 | 4 | 7 | 5.8 | Cc1cccc(NC(=O)NC2N=C(c3ccccc3)c3ccccc3N(CC(=O)NCCCC(=O)NCCCOc3cccc(CN4CCCCC4)c3)C2=O)c1 | 10.1016/S0960-894X(96)00248-X | ||
| CHEMBL31090 | 104784 | 0 | None | - | 3 | Rat | 6.1 | pKd | = | 6.1 | Functional | ChEMBL | 757 | 16 | 4 | 7 | 5.8 | Cc1cccc(NC(=O)NC2N=C(c3ccccc3)c3ccccc3N(CC(=O)NCCCC(=O)NCCCOc3cccc(CN4CCCCC4)c3)C2=O)c1 | 10.1016/S0960-894X(96)00248-X | ||
| 54754351 | 68217 | 0 | None | - | 0 | Human | 5.5 | pKi | = | 5.5 | Functional | ChEMBL | 277 | 4 | 1 | 5 | 2.1 | CN1CCN(c2cc(NCCC(C)(C)C)ncn2)CC1 | 10.1016/j.bmcl.2011.07.114 | ||
| CHEMBL1915535 | 68217 | 0 | None | - | 0 | Human | 5.5 | pKi | = | 5.5 | Functional | ChEMBL | 277 | 4 | 1 | 5 | 2.1 | CN1CCN(c2cc(NCCC(C)(C)C)ncn2)CC1 | 10.1016/j.bmcl.2011.07.114 | ||
| 57395620 | 68216 | 0 | None | - | 0 | Human | 5.1 | pKi | = | 5.1 | Functional | ChEMBL | 263 | 5 | 3 | 5 | 2.1 | CC(C)(C)CCNc1cc(N[C@H]2CCNC2)ncn1 | 10.1016/j.bmcl.2011.07.114 | ||
| CHEMBL1915534 | 68216 | 0 | None | - | 0 | Human | 5.1 | pKi | = | 5.1 | Functional | ChEMBL | 263 | 5 | 3 | 5 | 2.1 | CC(C)(C)CCNc1cc(N[C@H]2CCNC2)ncn1 | 10.1016/j.bmcl.2011.07.114 | ||
| 126688 | 404 | 33 | None | 57 | 2 | Human | 6.4 | pEC50 | = | 6.4 | Functional | Guide to Pharmacology | 157 | 2 | 2 | 4 | 0.5 | NCCc1sc(nc1C)N | 19072936 | ||
| 4025 | 404 | 33 | None | 57 | 2 | Human | 6.4 | pEC50 | = | 6.4 | Functional | Guide to Pharmacology | 157 | 2 | 2 | 4 | 0.5 | NCCc1sc(nc1C)N | 19072936 | ||
| CHEMBL293762 | 404 | 33 | None | 57 | 2 | Human | 6.4 | pEC50 | = | 6.4 | Functional | Guide to Pharmacology | 157 | 2 | 2 | 4 | 0.5 | NCCc1sc(nc1C)N | 19072936 | ||
| 1229 | 743 | 0 | None | - | 1 | Human | 5.7 | pEC50 | None | 5.7 | Functional | Guide to Pharmacology | 262 | 5 | 3 | 2 | 2.0 | CNC(=S)NCCCCc1cccc2c1cn[nH]2 | 9681472 | ||
| 5311293 | 743 | 0 | None | - | 1 | Human | 5.7 | pEC50 | None | 5.7 | Functional | Guide to Pharmacology | 262 | 5 | 3 | 2 | 2.0 | CNC(=S)NCCCCc1cccc2c1cn[nH]2 | 9681472 | ||
| 18381 | 217707 | 0 | None | 1 | 4 | Human | 8.3 | pIC50 | = | 8.3 | Functional | Drug Central | 469 | 4 | 2 | 6 | 3.2 | CC1=C(C(=O)N[C@H]2[C@H]3SC(C)(C)[C@@H](N3C2=O)C(O)=O)C(=NO1)C1=C(Cl)C=CC=C1Cl | None | ||
| 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 | ||
| 180 | 401 | 56 | None | -100 | 38 | Human | 8.2 | pIC50 | = | 8.2 | Functional | Drug Central | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | None | ||
| 200 | 401 | 56 | None | -100 | 38 | Human | 8.2 | pIC50 | = | 8.2 | Functional | Drug Central | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | None | ||
| 2160 | 401 | 56 | None | -100 | 38 | Human | 8.2 | pIC50 | = | 8.2 | Functional | Drug Central | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | None | ||
| CHEMBL629 | 401 | 56 | None | -100 | 38 | Human | 8.2 | pIC50 | = | 8.2 | Functional | Drug Central | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | None | ||
| DB00321 | 401 | 56 | None | -100 | 38 | Human | 8.2 | pIC50 | = | 8.2 | Functional | Drug Central | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | None | ||
| 46780481 | 107531 | 20 | None | -40 | 15 | Human | 8.1 | pIC50 | = | 8.1 | Functional | Drug Central | 285 | 0 | 0 | 2 | 4.3 | CN1CC2c3ccccc3Oc3ccc(Cl)cc3C2C1 | None | ||
| 9903970 | 107531 | 20 | None | -40 | 15 | Human | 8.1 | pIC50 | = | 8.1 | Functional | Drug Central | 285 | 0 | 0 | 2 | 4.3 | CN1CC2c3ccccc3Oc3ccc(Cl)cc3C2C1 | None | ||
| CHEMBL3187365 | 107531 | 20 | None | -40 | 15 | Human | 8.1 | pIC50 | = | 8.1 | Functional | Drug Central | 285 | 0 | 0 | 2 | 4.3 | CN1CC2c3ccccc3Oc3ccc(Cl)cc3C2C1 | None | ||
| CHEMBL3544974 | 107531 | 20 | None | -40 | 15 | Human | 8.1 | pIC50 | = | 8.1 | Functional | Drug Central | 285 | 0 | 0 | 2 | 4.3 | CN1CC2c3ccccc3Oc3ccc(Cl)cc3C2C1 | None | ||
| 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 |
| 213 | 3853 | 55 | None | -12 | 44 | Human | 5.0 | pAC50 | = | 5.0 | Binding | 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 | -12 | 44 | Human | 5.0 | pAC50 | = | 5.0 | Binding | 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 | -12 | 44 | Human | 5.0 | pAC50 | = | 5.0 | Binding | 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 | -12 | 44 | Human | 5.0 | pAC50 | = | 5.0 | Binding | 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 | -12 | 44 | Human | 5.0 | pAC50 | = | 5.0 | Binding | ChEMBL | 371 | 5 | 0 | 6 | 2.4 | Clc1cccc(c1)N1CCN(CC1)CCCn1nc2n(c1=O)cccc2 | 10.1038/s41467-023-40064-9 | |||
| 104850 | 3330 | 96 | None | - | 5 | Human | 5.0 | pAC50 | = | 5.0 | Binding | 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 | - | 5 | Human | 5.0 | pAC50 | = | 5.0 | Binding | 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 | - | 5 | Human | 5.0 | pAC50 | = | 5.0 | Binding | 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 | - | 5 | Human | 5.0 | pAC50 | = | 5.0 | Binding | 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 | - | 5 | Human | 5.0 | pAC50 | = | 5.0 | Binding | ChEMBL | 462 | 4 | 1 | 4 | 5.9 | Clc1ccc(cc1)c1c(C)c(nn1c1ccc(cc1Cl)Cl)C(=O)NN1CCCCC1 | 10.1038/s41467-023-40064-9 | |||
| 2284 | 3182 | 33 | None | -53 | 29 | Human | 7.0 | pAC50 | = | 7.0 | Binding | ChEMBL | 284 | 4 | 0 | 3 | 4.2 | CN(CCCN1c2ccccc2Sc2c1cccc2)C | 10.1038/s41467-023-40064-9 | |||
| 4926 | 3182 | 33 | None | -53 | 29 | Human | 7.0 | pAC50 | = | 7.0 | Binding | ChEMBL | 284 | 4 | 0 | 3 | 4.2 | CN(CCCN1c2ccccc2Sc2c1cccc2)C | 10.1038/s41467-023-40064-9 | |||
| 7281 | 3182 | 33 | None | -53 | 29 | Human | 7.0 | pAC50 | = | 7.0 | Binding | ChEMBL | 284 | 4 | 0 | 3 | 4.2 | CN(CCCN1c2ccccc2Sc2c1cccc2)C | 10.1038/s41467-023-40064-9 | |||
| CHEMBL564 | 3182 | 33 | None | -53 | 29 | Human | 7.0 | pAC50 | = | 7.0 | Binding | ChEMBL | 284 | 4 | 0 | 3 | 4.2 | CN(CCCN1c2ccccc2Sc2c1cccc2)C | 10.1038/s41467-023-40064-9 | |||
| DB00420 | 3182 | 33 | None | -53 | 29 | Human | 7.0 | pAC50 | = | 7.0 | Binding | ChEMBL | 284 | 4 | 0 | 3 | 4.2 | CN(CCCN1c2ccccc2Sc2c1cccc2)C | 10.1038/s41467-023-40064-9 | |||
| 1353 | 1911 | 93 | None | -131 | 83 | Human | 6.9 | pAC50 | = | 6.9 | Binding | ChEMBL | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | 10.1038/s41467-023-40064-9 | |||
| 3559 | 1911 | 93 | None | -131 | 83 | Human | 6.9 | pAC50 | = | 6.9 | Binding | ChEMBL | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | 10.1038/s41467-023-40064-9 | |||
| 86 | 1911 | 93 | None | -131 | 83 | Human | 6.9 | pAC50 | = | 6.9 | Binding | ChEMBL | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | 10.1038/s41467-023-40064-9 | |||
| CHEMBL54 | 1911 | 93 | None | -131 | 83 | Human | 6.9 | pAC50 | = | 6.9 | Binding | ChEMBL | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | 10.1038/s41467-023-40064-9 | |||
| DB00502 | 1911 | 93 | None | -131 | 83 | Human | 6.9 | pAC50 | = | 6.9 | Binding | ChEMBL | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | 10.1038/s41467-023-40064-9 | |||
| 4212 | 198679 | 82 | None | - | 4 | Human | 4.9 | pAC50 | = | 4.9 | Binding | ChEMBL | 444 | 12 | 8 | 10 | -0.1 | O=C1c2c(O)ccc(O)c2C(=O)c2c(NCCNCCO)ccc(NCCNCCO)c21 | 10.1038/s41467-023-40064-9 | |||
| CHEMBL1417019 | 198679 | 82 | None | - | 4 | Human | 4.9 | pAC50 | = | 4.9 | Binding | ChEMBL | 444 | 12 | 8 | 10 | -0.1 | O=C1c2c(O)ccc(O)c2C(=O)c2c(NCCNCCO)ccc(NCCNCCO)c21 | 10.1038/s41467-023-40064-9 | |||
| CHEMBL58 | 198679 | 82 | None | - | 4 | Human | 4.9 | pAC50 | = | 4.9 | Binding | ChEMBL | 444 | 12 | 8 | 10 | -0.1 | O=C1c2c(O)ccc(O)c2C(=O)c2c(NCCNCCO)ccc(NCCNCCO)c21 | 10.1038/s41467-023-40064-9 | |||
| 39186 | 85935 | 54 | None | - | 2 | Human | 4.9 | pAC50 | = | 4.9 | Binding | ChEMBL | 414 | 6 | 0 | 6 | 3.4 | COc1ccc([C@@H]2Sc3ccccc3N(CCN(C)C)C(=O)[C@@H]2OC(C)=O)cc1 | 10.1038/s41467-023-40064-9 | |||
| CHEMBL23 | 85935 | 54 | None | - | 2 | Human | 4.9 | pAC50 | = | 4.9 | Binding | ChEMBL | 414 | 6 | 0 | 6 | 3.4 | COc1ccc([C@@H]2Sc3ccccc3N(CCN(C)C)C(=O)[C@@H]2OC(C)=O)cc1 | 10.1038/s41467-023-40064-9 | |||
| 9915743 | 63542 | 93 | None | - | 0 | Human | 5.9 | pAC50 | = | 5.9 | Binding | ChEMBL | 556 | 11 | 2 | 8 | 5.9 | CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ccccn4)c(Cl)c3)c2cc1NC(=O)/C=C/CN(C)C | 10.1038/s41467-023-40064-9 | |||
| CHEMBL180022 | 63542 | 93 | None | - | 0 | Human | 5.9 | pAC50 | = | 5.9 | Binding | ChEMBL | 556 | 11 | 2 | 8 | 5.9 | CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ccccn4)c(Cl)c3)c2cc1NC(=O)/C=C/CN(C)C | 10.1038/s41467-023-40064-9 | |||
| 5472 | 205818 | 75 | None | - | 3 | Human | 4.9 | pAC50 | = | 4.9 | Binding | ChEMBL | 263 | 2 | 0 | 2 | 4.0 | Clc1ccccc1CN1CCc2sccc2C1 | 10.1038/s41467-023-40064-9 | |||
| CHEMBL1717 | 205818 | 75 | None | - | 3 | Human | 4.9 | pAC50 | = | 4.9 | Binding | ChEMBL | 263 | 2 | 0 | 2 | 4.0 | Clc1ccccc1CN1CCc2sccc2C1 | 10.1038/s41467-023-40064-9 | |||
| CHEMBL833 | 205818 | 75 | None | - | 3 | Human | 4.9 | pAC50 | = | 4.9 | Binding | ChEMBL | 263 | 2 | 0 | 2 | 4.0 | Clc1ccccc1CN1CCc2sccc2C1 | 10.1038/s41467-023-40064-9 | |||
| 10096344 | 89594 | 85 | None | - | 0 | Human | 4.9 | pAC50 | = | 4.9 | Binding | ChEMBL | 472 | 4 | 1 | 10 | 1.1 | CC#CCn1c(N2CCC[C@@H](N)C2)nc2c1c(=O)n(Cc1nc(C)c3ccccc3n1)c(=O)n2C | 10.1038/s41467-023-40064-9 | |||
| CHEMBL237500 | 89594 | 85 | None | - | 0 | Human | 4.9 | pAC50 | = | 4.9 | Binding | ChEMBL | 472 | 4 | 1 | 10 | 1.1 | CC#CCn1c(N2CCC[C@@H](N)C2)nc2c1c(=O)n(Cc1nc(C)c3ccccc3n1)c(=O)n2C | 10.1038/s41467-023-40064-9 | |||
| 1613 | 2348 | 53 | None | -10 | 44 | Human | 6.9 | pAC50 | = | 6.9 | Binding | ChEMBL | 327 | 0 | 0 | 4 | 3.8 | CN1CCN(CC1)C1=Nc2ccccc2Oc2c1cc(Cl)cc2 | 10.1038/s41467-023-40064-9 | |||
| 205 | 2348 | 53 | None | -10 | 44 | Human | 6.9 | pAC50 | = | 6.9 | Binding | ChEMBL | 327 | 0 | 0 | 4 | 3.8 | CN1CCN(CC1)C1=Nc2ccccc2Oc2c1cc(Cl)cc2 | 10.1038/s41467-023-40064-9 | |||
| 3964 | 2348 | 53 | None | -10 | 44 | Human | 6.9 | pAC50 | = | 6.9 | Binding | ChEMBL | 327 | 0 | 0 | 4 | 3.8 | CN1CCN(CC1)C1=Nc2ccccc2Oc2c1cc(Cl)cc2 | 10.1038/s41467-023-40064-9 | |||
| CHEMBL831 | 2348 | 53 | None | -10 | 44 | Human | 6.9 | pAC50 | = | 6.9 | Binding | ChEMBL | 327 | 0 | 0 | 4 | 3.8 | CN1CCN(CC1)C1=Nc2ccccc2Oc2c1cc(Cl)cc2 | 10.1038/s41467-023-40064-9 | |||
| DB00408 | 2348 | 53 | None | -10 | 44 | Human | 6.9 | pAC50 | = | 6.9 | Binding | ChEMBL | 327 | 0 | 0 | 4 | 3.8 | CN1CCN(CC1)C1=Nc2ccccc2Oc2c1cc(Cl)cc2 | 10.1038/s41467-023-40064-9 | |||
| 1890 | 2759 | 49 | None | - | 16 | Human | 5.8 | pAC50 | = | 5.8 | Binding | 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 | - | 16 | Human | 5.8 | pAC50 | = | 5.8 | Binding | 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 | - | 16 | Human | 5.8 | pAC50 | = | 5.8 | Binding | 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 | - | 16 | Human | 5.8 | pAC50 | = | 5.8 | Binding | 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 | - | 16 | Human | 5.8 | pAC50 | = | 5.8 | Binding | ChEMBL | 469 | 10 | 0 | 7 | 3.6 | CCc1nn(c(=O)n1CCOc1ccccc1)CCCN1CCN(CC1)c1cccc(c1)Cl | 10.1038/s41467-023-40064-9 | |||
| 212 | 3806 | 47 | None | -6 | 25 | Human | 6.8 | pAC50 | = | 6.8 | Binding | 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 | -6 | 25 | Human | 6.8 | pAC50 | = | 6.8 | Binding | 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 | -6 | 25 | Human | 6.8 | pAC50 | = | 6.8 | Binding | 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 | -6 | 25 | Human | 6.8 | pAC50 | = | 6.8 | Binding | 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 | -6 | 25 | Human | 6.8 | pAC50 | = | 6.8 | Binding | 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 | |||
| 4034 | 55822 | 55 | None | - | 1 | Human | 5.8 | pAC50 | = | 5.8 | Binding | 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 | - | 1 | Human | 5.8 | pAC50 | = | 5.8 | Binding | ChEMBL | 390 | 5 | 0 | 2 | 5.6 | Cc1cccc(CN2CCN(C(c3ccccc3)c3ccc(Cl)cc3)CC2)c1 | 10.1038/s41467-023-40064-9 | |||
| 1209 | 1658 | 75 | None | - | 32 | Human | 5.8 | pAC50 | = | 5.8 | Binding | ChEMBL | 309 | 6 | 1 | 2 | 4.4 | CNCCC(c1ccccc1)Oc1ccc(cc1)C(F)(F)F | 10.1038/s41467-023-40064-9 | |||
| 203 | 1658 | 75 | None | - | 32 | Human | 5.8 | pAC50 | = | 5.8 | Binding | ChEMBL | 309 | 6 | 1 | 2 | 4.4 | CNCCC(c1ccccc1)Oc1ccc(cc1)C(F)(F)F | 10.1038/s41467-023-40064-9 | |||
| 3386 | 1658 | 75 | None | - | 32 | Human | 5.8 | pAC50 | = | 5.8 | Binding | ChEMBL | 309 | 6 | 1 | 2 | 4.4 | CNCCC(c1ccccc1)Oc1ccc(cc1)C(F)(F)F | 10.1038/s41467-023-40064-9 | |||
| CHEMBL41 | 1658 | 75 | None | - | 32 | Human | 5.8 | pAC50 | = | 5.8 | Binding | ChEMBL | 309 | 6 | 1 | 2 | 4.4 | CNCCC(c1ccccc1)Oc1ccc(cc1)C(F)(F)F | 10.1038/s41467-023-40064-9 | |||
| DB00472 | 1658 | 75 | None | - | 32 | Human | 5.8 | pAC50 | = | 5.8 | Binding | ChEMBL | 309 | 6 | 1 | 2 | 4.4 | CNCCC(c1ccccc1)Oc1ccc(cc1)C(F)(F)F | 10.1038/s41467-023-40064-9 | |||
| 2585 | 803 | 103 | None | - | 21 | Human | 5.8 | pAC50 | = | 5.8 | Binding | ChEMBL | 406 | 10 | 3 | 5 | 3.7 | COc1ccccc1OCCNCC(COc1cccc2c1c1ccccc1[nH]2)O | 10.1038/s41467-023-40064-9 | |||
| 522 | 803 | 103 | None | - | 21 | Human | 5.8 | pAC50 | = | 5.8 | Binding | ChEMBL | 406 | 10 | 3 | 5 | 3.7 | COc1ccccc1OCCNCC(COc1cccc2c1c1ccccc1[nH]2)O | 10.1038/s41467-023-40064-9 | |||
| 551 | 803 | 103 | None | - | 21 | Human | 5.8 | pAC50 | = | 5.8 | Binding | ChEMBL | 406 | 10 | 3 | 5 | 3.7 | COc1ccccc1OCCNCC(COc1cccc2c1c1ccccc1[nH]2)O | 10.1038/s41467-023-40064-9 | |||
| CHEMBL723 | 803 | 103 | None | - | 21 | Human | 5.8 | pAC50 | = | 5.8 | Binding | ChEMBL | 406 | 10 | 3 | 5 | 3.7 | COc1ccccc1OCCNCC(COc1cccc2c1c1ccccc1[nH]2)O | 10.1038/s41467-023-40064-9 | |||
| DB01136 | 803 | 103 | None | - | 21 | Human | 5.8 | pAC50 | = | 5.8 | Binding | ChEMBL | 406 | 10 | 3 | 5 | 3.7 | COc1ccccc1OCCNCC(COc1cccc2c1c1ccccc1[nH]2)O | 10.1038/s41467-023-40064-9 | |||
| 48041 | 107081 | 46 | None | - | 0 | Human | 4.8 | pAC50 | = | 4.8 | Binding | ChEMBL | 352 | 6 | 1 | 3 | 4.4 | COc1ccc(C(=O)Nc2ccccc2CCC2CCCCN2C)cc1 | 10.1038/s41467-023-40064-9 | |||
| CHEMBL315838 | 107081 | 46 | None | - | 0 | Human | 4.8 | pAC50 | = | 4.8 | Binding | ChEMBL | 352 | 6 | 1 | 3 | 4.4 | COc1ccc(C(=O)Nc2ccccc2CCC2CCCCN2C)cc1 | 10.1038/s41467-023-40064-9 | |||
| 31101 | 729 | 40 | None | - | 36 | Human | 5.8 | pAC50 | = | 5.8 | 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 | 10.1038/s41467-023-40064-9 | |||
| 35 | 729 | 40 | None | - | 36 | Human | 5.8 | pAC50 | = | 5.8 | 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 | 10.1038/s41467-023-40064-9 | |||
| 403 | 729 | 40 | None | - | 36 | Human | 5.8 | pAC50 | = | 5.8 | 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 | 10.1038/s41467-023-40064-9 | |||
| CHEMBL493 | 729 | 40 | None | - | 36 | Human | 5.8 | pAC50 | = | 5.8 | 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 | 10.1038/s41467-023-40064-9 | |||
| DB01200 | 729 | 40 | None | - | 36 | Human | 5.8 | pAC50 | = | 5.8 | 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 | 10.1038/s41467-023-40064-9 | |||
| 2726 | 919 | 68 | None | -85 | 72 | Human | 6.8 | pAC50 | = | 6.8 | Binding | ChEMBL | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | 10.1038/s41467-023-40064-9 | |||
| 621 | 919 | 68 | None | -85 | 72 | Human | 6.8 | pAC50 | = | 6.8 | Binding | ChEMBL | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | 10.1038/s41467-023-40064-9 | |||
| 83 | 919 | 68 | None | -85 | 72 | Human | 6.8 | pAC50 | = | 6.8 | Binding | ChEMBL | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | 10.1038/s41467-023-40064-9 | |||
| CHEMBL71 | 919 | 68 | None | -85 | 72 | Human | 6.8 | pAC50 | = | 6.8 | Binding | ChEMBL | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | 10.1038/s41467-023-40064-9 | |||
| DB00477 | 919 | 68 | None | -85 | 72 | Human | 6.8 | pAC50 | = | 6.8 | Binding | ChEMBL | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | 10.1038/s41467-023-40064-9 | |||
| 2600 | 3779 | 74 | None | - | 13 | Human | 5.8 | pAC50 | = | 5.8 | Binding | 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 | - | 13 | Human | 5.8 | pAC50 | = | 5.8 | Binding | 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 | - | 13 | Human | 5.8 | pAC50 | = | 5.8 | Binding | 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 | - | 13 | Human | 5.8 | pAC50 | = | 5.8 | Binding | 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 | - | 13 | Human | 5.8 | pAC50 | = | 5.8 | Binding | 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 | -33 | 34 | Human | 4.8 | pAC50 | = | 4.8 | Binding | ChEMBL | 344 | 4 | 0 | 2 | 5.4 | Clc1ccccc1C(c1ccccc1)(c1ccccc1)n1ccnc1 | 10.1038/s41467-023-40064-9 | |||
| CHEMBL104 | 4779 | 101 | None | -33 | 34 | Human | 4.8 | pAC50 | = | 4.8 | Binding | ChEMBL | 344 | 4 | 0 | 2 | 5.4 | Clc1ccccc1C(c1ccccc1)(c1ccccc1)n1ccnc1 | 10.1038/s41467-023-40064-9 | |||
| 1016 | 3747 | 78 | None | -41 | 35 | Human | 5.8 | pAC50 | = | 5.8 | Binding | ChEMBL | 371 | 8 | 0 | 2 | 6.0 | CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1 | 10.1038/s41467-023-40064-9 | |||
| 2561 | 3747 | 78 | None | -41 | 35 | Human | 5.8 | pAC50 | = | 5.8 | Binding | ChEMBL | 371 | 8 | 0 | 2 | 6.0 | CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1 | 10.1038/s41467-023-40064-9 | |||
| 2733526 | 3747 | 78 | None | -41 | 35 | Human | 5.8 | pAC50 | = | 5.8 | Binding | ChEMBL | 371 | 8 | 0 | 2 | 6.0 | CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1 | 10.1038/s41467-023-40064-9 | |||
| 5384 | 3747 | 78 | None | -41 | 35 | Human | 5.8 | pAC50 | = | 5.8 | Binding | ChEMBL | 371 | 8 | 0 | 2 | 6.0 | CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1 | 10.1038/s41467-023-40064-9 | |||
| CHEMBL83 | 3747 | 78 | None | -41 | 35 | Human | 5.8 | pAC50 | = | 5.8 | Binding | ChEMBL | 371 | 8 | 0 | 2 | 6.0 | CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1 | 10.1038/s41467-023-40064-9 | |||
| DB00675 | 3747 | 78 | None | -41 | 35 | Human | 5.8 | pAC50 | = | 5.8 | Binding | ChEMBL | 371 | 8 | 0 | 2 | 6.0 | CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1 | 10.1038/s41467-023-40064-9 | |||
| 1222 | 881 | 0 | None | - | 2 | Human | 5.7 | pAC50 | = | 5.7 | Binding | ChEMBL | 388 | 8 | 1 | 4 | 3.1 | OC(=O)COCCN1CCN(CC1)C(c1ccc(cc1)Cl)c1ccccc1 | 10.1038/s41467-023-40064-9 | |||
| 2678 | 881 | 0 | None | - | 2 | Human | 5.7 | pAC50 | = | 5.7 | Binding | ChEMBL | 388 | 8 | 1 | 4 | 3.1 | OC(=O)COCCN1CCN(CC1)C(c1ccc(cc1)Cl)c1ccccc1 | 10.1038/s41467-023-40064-9 | |||
| 581 | 881 | 0 | None | - | 2 | Human | 5.7 | pAC50 | = | 5.7 | Binding | ChEMBL | 388 | 8 | 1 | 4 | 3.1 | OC(=O)COCCN1CCN(CC1)C(c1ccc(cc1)Cl)c1ccccc1 | 10.1038/s41467-023-40064-9 | |||
| CHEMBL1000 | 881 | 0 | None | - | 2 | Human | 5.7 | pAC50 | = | 5.7 | Binding | ChEMBL | 388 | 8 | 1 | 4 | 3.1 | OC(=O)COCCN1CCN(CC1)C(c1ccc(cc1)Cl)c1ccccc1 | 10.1038/s41467-023-40064-9 | |||
| DB00341 | 881 | 0 | None | - | 2 | Human | 5.7 | pAC50 | = | 5.7 | Binding | ChEMBL | 388 | 8 | 1 | 4 | 3.1 | OC(=O)COCCN1CCN(CC1)C(c1ccc(cc1)Cl)c1ccccc1 | 10.1038/s41467-023-40064-9 | |||
| 1400 | 1957 | 70 | None | - | 3 | Human | 6.7 | pAC50 | = | 6.7 | Binding | ChEMBL | 374 | 8 | 1 | 4 | 3.1 | OCCOCCN1CCN(CC1)C(c1ccc(cc1)Cl)c1ccccc1 | 10.1038/s41467-023-40064-9 | |||
| 3658 | 1957 | 70 | None | - | 3 | Human | 6.7 | pAC50 | = | 6.7 | Binding | ChEMBL | 374 | 8 | 1 | 4 | 3.1 | OCCOCCN1CCN(CC1)C(c1ccc(cc1)Cl)c1ccccc1 | 10.1038/s41467-023-40064-9 | |||
| 7199 | 1957 | 70 | None | - | 3 | Human | 6.7 | pAC50 | = | 6.7 | Binding | ChEMBL | 374 | 8 | 1 | 4 | 3.1 | OCCOCCN1CCN(CC1)C(c1ccc(cc1)Cl)c1ccccc1 | 10.1038/s41467-023-40064-9 | |||
| 91513 | 1957 | 70 | None | - | 3 | Human | 6.7 | pAC50 | = | 6.7 | Binding | ChEMBL | 374 | 8 | 1 | 4 | 3.1 | OCCOCCN1CCN(CC1)C(c1ccc(cc1)Cl)c1ccccc1 | 10.1038/s41467-023-40064-9 | |||
| CHEMBL896 | 1957 | 70 | None | - | 3 | Human | 6.7 | pAC50 | = | 6.7 | Binding | ChEMBL | 374 | 8 | 1 | 4 | 3.1 | OCCOCCN1CCN(CC1)C(c1ccc(cc1)Cl)c1ccccc1 | 10.1038/s41467-023-40064-9 | |||
| DB00557 | 1957 | 70 | None | - | 3 | Human | 6.7 | pAC50 | = | 6.7 | Binding | ChEMBL | 374 | 8 | 1 | 4 | 3.1 | OCCOCCN1CCN(CC1)C(c1ccc(cc1)Cl)c1ccccc1 | 10.1038/s41467-023-40064-9 | |||
| 102 | 4127 | 48 | None | - | 49 | Human | 4.7 | pAC50 | = | 4.7 | 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 | 10.1038/s41467-023-40064-9 | |||
| 3659 | 4127 | 48 | None | - | 49 | Human | 4.7 | pAC50 | = | 4.7 | 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 | 10.1038/s41467-023-40064-9 | |||
| 8969 | 4127 | 48 | None | - | 49 | Human | 4.7 | pAC50 | = | 4.7 | 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 | 10.1038/s41467-023-40064-9 | |||
| CHEMBL15245 | 4127 | 48 | None | - | 49 | Human | 4.7 | pAC50 | = | 4.7 | 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 | 10.1038/s41467-023-40064-9 | |||
| DB01392 | 4127 | 48 | None | - | 49 | Human | 4.7 | pAC50 | = | 4.7 | 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 | 10.1038/s41467-023-40064-9 | |||
| 1231 | 937 | 116 | None | -2 | 7 | Human | 6.7 | pAC50 | = | 6.7 | Binding | ChEMBL | 252 | 5 | 3 | 4 | 0.6 | N#CNC(=NC)NCCSCc1nc[nH]c1C | 10.1038/s41467-023-40064-9 | |||
| 2756 | 937 | 116 | None | -2 | 7 | Human | 6.7 | pAC50 | = | 6.7 | Binding | ChEMBL | 252 | 5 | 3 | 4 | 0.6 | N#CNC(=NC)NCCSCc1nc[nH]c1C | 10.1038/s41467-023-40064-9 | |||
| 645 | 937 | 116 | None | -2 | 7 | Human | 6.7 | pAC50 | = | 6.7 | Binding | ChEMBL | 252 | 5 | 3 | 4 | 0.6 | N#CNC(=NC)NCCSCc1nc[nH]c1C | 10.1038/s41467-023-40064-9 | |||
| CHEMBL30 | 937 | 116 | None | -2 | 7 | Human | 6.7 | pAC50 | = | 6.7 | Binding | ChEMBL | 252 | 5 | 3 | 4 | 0.6 | N#CNC(=NC)NCCSCc1nc[nH]c1C | 10.1038/s41467-023-40064-9 | |||
| DB00501 | 937 | 116 | None | -2 | 7 | Human | 6.7 | pAC50 | = | 6.7 | Binding | ChEMBL | 252 | 5 | 3 | 4 | 0.6 | N#CNC(=NC)NCCSCc1nc[nH]c1C | 10.1038/s41467-023-40064-9 | |||
| 180 | 401 | 56 | None | -1412 | 40 | Human | 7.7 | pAC50 | = | 7.7 | Binding | ChEMBL | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | 10.1038/s41467-023-40064-9 | |||
| 200 | 401 | 56 | None | -1412 | 40 | Human | 7.7 | pAC50 | = | 7.7 | Binding | ChEMBL | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | 10.1038/s41467-023-40064-9 | |||
| 2160 | 401 | 56 | None | -1412 | 40 | Human | 7.7 | pAC50 | = | 7.7 | Binding | ChEMBL | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | 10.1038/s41467-023-40064-9 | |||
| CHEMBL629 | 401 | 56 | None | -1412 | 40 | Human | 7.7 | pAC50 | = | 7.7 | Binding | ChEMBL | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | 10.1038/s41467-023-40064-9 | |||
| DB00321 | 401 | 56 | None | -1412 | 40 | Human | 7.7 | pAC50 | = | 7.7 | Binding | ChEMBL | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | 10.1038/s41467-023-40064-9 | |||
| 5328940 | 100216 | 107 | None | - | 0 | Human | 5.7 | pAC50 | = | 5.7 | Binding | 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 | - | 0 | Human | 5.7 | pAC50 | = | 5.7 | Binding | 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 | |||
| 242 | 470 | 124 | None | -7244 | 51 | Human | 5.7 | pAC50 | = | 5.7 | Binding | 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 | -7244 | 51 | Human | 5.7 | pAC50 | = | 5.7 | Binding | 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 | -7244 | 51 | Human | 5.7 | pAC50 | = | 5.7 | Binding | 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 | -7244 | 51 | Human | 5.7 | pAC50 | = | 5.7 | Binding | 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 | -7244 | 51 | Human | 5.7 | pAC50 | = | 5.7 | Binding | ChEMBL | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | 10.1038/s41467-023-40064-9 | |||
| 5039 | 63183 | 17 | None | - | 1 | Human | 6.6 | pAC50 | = | 6.6 | Binding | 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 | - | 1 | Human | 6.6 | pAC50 | = | 6.6 | Binding | ChEMBL | 314 | 10 | 2 | 7 | 1.5 | CNC(=C[N+](=O)[O-])NCCSCc1ccc(CN(C)C)o1 | 10.1038/s41467-023-40064-9 | |||
| 3157 | 1470 | 71 | None | - | 10 | Human | 5.6 | pAC50 | = | 5.6 | Binding | 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 | - | 10 | Human | 5.6 | pAC50 | = | 5.6 | Binding | 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 | - | 10 | Human | 5.6 | pAC50 | = | 5.6 | Binding | 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 | - | 10 | Human | 5.6 | pAC50 | = | 5.6 | Binding | 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 | - | 10 | Human | 5.6 | pAC50 | = | 5.6 | Binding | 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 | |||
| 134 | 2514 | 24 | None | -8511 | 67 | Human | 5.6 | pAC50 | = | 5.6 | Binding | 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 | -8511 | 67 | Human | 5.6 | pAC50 | = | 5.6 | Binding | 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 | -8511 | 67 | Human | 5.6 | pAC50 | = | 5.6 | Binding | 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 | -8511 | 67 | Human | 5.6 | pAC50 | = | 5.6 | Binding | 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 | -8511 | 67 | Human | 5.6 | pAC50 | = | 5.6 | Binding | 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 | |||
| 1224 | 1432 | 83 | None | - | 13 | Human | 6.6 | pAC50 | = | 6.6 | Binding | ChEMBL | 255 | 6 | 0 | 2 | 3.4 | CN(CCOC(c1ccccc1)c1ccccc1)C | 10.1038/s41467-023-40064-9 | |||
| 3100 | 1432 | 83 | None | - | 13 | Human | 6.6 | pAC50 | = | 6.6 | Binding | ChEMBL | 255 | 6 | 0 | 2 | 3.4 | CN(CCOC(c1ccccc1)c1ccccc1)C | 10.1038/s41467-023-40064-9 | |||
| 8980 | 1432 | 83 | None | - | 13 | Human | 6.6 | pAC50 | = | 6.6 | Binding | ChEMBL | 255 | 6 | 0 | 2 | 3.4 | CN(CCOC(c1ccccc1)c1ccccc1)C | 10.1038/s41467-023-40064-9 | |||
| 916 | 1432 | 83 | None | - | 13 | Human | 6.6 | pAC50 | = | 6.6 | Binding | ChEMBL | 255 | 6 | 0 | 2 | 3.4 | CN(CCOC(c1ccccc1)c1ccccc1)C | 10.1038/s41467-023-40064-9 | |||
| CHEMBL657 | 1432 | 83 | None | - | 13 | Human | 6.6 | pAC50 | = | 6.6 | Binding | ChEMBL | 255 | 6 | 0 | 2 | 3.4 | CN(CCOC(c1ccccc1)c1ccccc1)C | 10.1038/s41467-023-40064-9 | |||
| DB01075 | 1432 | 83 | None | - | 13 | Human | 6.6 | pAC50 | = | 6.6 | Binding | ChEMBL | 255 | 6 | 0 | 2 | 3.4 | CN(CCOC(c1ccccc1)c1ccccc1)C | 10.1038/s41467-023-40064-9 | |||
| 10531 | 1420 | 21 | None | - | 23 | Human | 6.6 | pAC50 | = | 6.6 | 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 | 10.1038/s41467-023-40064-9 | |||
| 121 | 1420 | 21 | None | - | 23 | Human | 6.6 | pAC50 | = | 6.6 | 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 | 10.1038/s41467-023-40064-9 | |||
| 888 | 1420 | 21 | None | - | 23 | Human | 6.6 | pAC50 | = | 6.6 | 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 | 10.1038/s41467-023-40064-9 | |||
| CHEMBL1732 | 1420 | 21 | None | - | 23 | Human | 6.6 | pAC50 | = | 6.6 | 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 | 10.1038/s41467-023-40064-9 | |||
| DB00320 | 1420 | 21 | None | - | 23 | Human | 6.6 | pAC50 | = | 6.6 | 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 | 10.1038/s41467-023-40064-9 | |||
| 1212 | 1662 | 50 | None | -323 | 65 | Human | 6.6 | pAC50 | = | 6.6 | Binding | 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 | -323 | 65 | Human | 6.6 | pAC50 | = | 6.6 | Binding | 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 | -323 | 65 | Human | 6.6 | pAC50 | = | 6.6 | Binding | 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 | -323 | 65 | Human | 6.6 | pAC50 | = | 6.6 | Binding | 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 | -323 | 65 | Human | 6.6 | pAC50 | = | 6.6 | Binding | ChEMBL | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | 10.1038/s41467-023-40064-9 | |||
| 191 | 403 | 98 | None | - | 29 | Human | 6.6 | pAC50 | = | 6.6 | Binding | ChEMBL | 313 | 0 | 1 | 4 | 3.4 | Clc1ccc2c(c1)C(=Nc1c(O2)cccc1)N1CCNCC1 | 10.1038/s41467-023-40064-9 | |||
| 201 | 403 | 98 | None | - | 29 | Human | 6.6 | pAC50 | = | 6.6 | Binding | ChEMBL | 313 | 0 | 1 | 4 | 3.4 | Clc1ccc2c(c1)C(=Nc1c(O2)cccc1)N1CCNCC1 | 10.1038/s41467-023-40064-9 | |||
| 2170 | 403 | 98 | None | - | 29 | Human | 6.6 | pAC50 | = | 6.6 | Binding | ChEMBL | 313 | 0 | 1 | 4 | 3.4 | Clc1ccc2c(c1)C(=Nc1c(O2)cccc1)N1CCNCC1 | 10.1038/s41467-023-40064-9 | |||
| CHEMBL1113 | 403 | 98 | None | - | 29 | Human | 6.6 | pAC50 | = | 6.6 | Binding | ChEMBL | 313 | 0 | 1 | 4 | 3.4 | Clc1ccc2c(c1)C(=Nc1c(O2)cccc1)N1CCNCC1 | 10.1038/s41467-023-40064-9 | |||
| DB00543 | 403 | 98 | None | - | 29 | Human | 6.6 | pAC50 | = | 6.6 | Binding | ChEMBL | 313 | 0 | 1 | 4 | 3.4 | Clc1ccc2c(c1)C(=Nc1c(O2)cccc1)N1CCNCC1 | 10.1038/s41467-023-40064-9 | |||
| 176 | 398 | 66 | None | -6 | 31 | Human | 5.6 | pAC50 | = | 5.6 | Binding | ChEMBL | 645 | 11 | 0 | 4 | 6.9 | CCCCc1oc2c(c1C(=O)c1cc(I)c(c(c1)I)OCCN(CC)CC)cccc2 | 10.1038/s41467-023-40064-9 | |||
| 2157 | 398 | 66 | None | -6 | 31 | Human | 5.6 | pAC50 | = | 5.6 | Binding | ChEMBL | 645 | 11 | 0 | 4 | 6.9 | CCCCc1oc2c(c1C(=O)c1cc(I)c(c(c1)I)OCCN(CC)CC)cccc2 | 10.1038/s41467-023-40064-9 | |||
| 2566 | 398 | 66 | None | -6 | 31 | Human | 5.6 | pAC50 | = | 5.6 | Binding | ChEMBL | 645 | 11 | 0 | 4 | 6.9 | CCCCc1oc2c(c1C(=O)c1cc(I)c(c(c1)I)OCCN(CC)CC)cccc2 | 10.1038/s41467-023-40064-9 | |||
| CHEMBL633 | 398 | 66 | None | -6 | 31 | Human | 5.6 | pAC50 | = | 5.6 | Binding | ChEMBL | 645 | 11 | 0 | 4 | 6.9 | CCCCc1oc2c(c1C(=O)c1cc(I)c(c(c1)I)OCCN(CC)CC)cccc2 | 10.1038/s41467-023-40064-9 | |||
| DB01118 | 398 | 66 | None | -6 | 31 | Human | 5.6 | pAC50 | = | 5.6 | Binding | ChEMBL | 645 | 11 | 0 | 4 | 6.9 | CCCCc1oc2c(c1C(=O)c1cc(I)c(c(c1)I)OCCN(CC)CC)cccc2 | 10.1038/s41467-023-40064-9 | |||
| 124087 | 1389 | 114 | None | -29 | 15 | Human | 8.5 | pAC50 | = | 8.5 | Binding | ChEMBL | 310 | 0 | 1 | 2 | 4.0 | Clc1ccc2c(c1)CCc1c(C2=C2CCNCC2)nccc1 | 10.1038/s41467-023-40064-9 | |||
| 7157 | 1389 | 114 | None | -29 | 15 | Human | 8.5 | pAC50 | = | 8.5 | Binding | ChEMBL | 310 | 0 | 1 | 2 | 4.0 | Clc1ccc2c(c1)CCc1c(C2=C2CCNCC2)nccc1 | 10.1038/s41467-023-40064-9 | |||
| 814 | 1389 | 114 | None | -29 | 15 | Human | 8.5 | pAC50 | = | 8.5 | Binding | ChEMBL | 310 | 0 | 1 | 2 | 4.0 | Clc1ccc2c(c1)CCc1c(C2=C2CCNCC2)nccc1 | 10.1038/s41467-023-40064-9 | |||
| CHEMBL1172 | 1389 | 114 | None | -29 | 15 | Human | 8.5 | pAC50 | = | 8.5 | Binding | ChEMBL | 310 | 0 | 1 | 2 | 4.0 | Clc1ccc2c(c1)CCc1c(C2=C2CCNCC2)nccc1 | 10.1038/s41467-023-40064-9 | |||
| DB00967 | 1389 | 114 | None | -29 | 15 | Human | 8.5 | pAC50 | = | 8.5 | Binding | ChEMBL | 310 | 0 | 1 | 2 | 4.0 | Clc1ccc2c(c1)CCc1c(C2=C2CCNCC2)nccc1 | 10.1038/s41467-023-40064-9 | |||
| 3180 | 14473 | 41 | None | - | 0 | Human | 5.5 | pAC50 | = | 5.5 | Binding | ChEMBL | 289 | 8 | 0 | 3 | 3.9 | CCCCOc1ccc(C(=O)CCN2CCCCC2)cc1 | 10.1038/s41467-023-40064-9 | |||
| CHEMBL1201217 | 14473 | 41 | None | - | 0 | Human | 5.5 | pAC50 | = | 5.5 | Binding | ChEMBL | 289 | 8 | 0 | 3 | 3.9 | CCCCOc1ccc(C(=O)CCN2CCCCC2)cc1 | 10.1038/s41467-023-40064-9 | |||
| 2705 | 3842 | 64 | None | - | 10 | Human | 5.5 | pAC50 | = | 5.5 | Binding | ChEMBL | 325 | 7 | 1 | 2 | 5.3 | Cc1ccc(c(c1)[C@@H](c1ccccc1)CCN(C(C)C)C(C)C)O | 10.1038/s41467-023-40064-9 | |||
| 360 | 3842 | 64 | None | - | 10 | Human | 5.5 | pAC50 | = | 5.5 | Binding | ChEMBL | 325 | 7 | 1 | 2 | 5.3 | Cc1ccc(c(c1)[C@@H](c1ccccc1)CCN(C(C)C)C(C)C)O | 10.1038/s41467-023-40064-9 | |||
| 443879 | 3842 | 64 | None | - | 10 | Human | 5.5 | pAC50 | = | 5.5 | Binding | ChEMBL | 325 | 7 | 1 | 2 | 5.3 | Cc1ccc(c(c1)[C@@H](c1ccccc1)CCN(C(C)C)C(C)C)O | 10.1038/s41467-023-40064-9 | |||
| CHEMBL1382 | 3842 | 64 | None | - | 10 | Human | 5.5 | pAC50 | = | 5.5 | Binding | ChEMBL | 325 | 7 | 1 | 2 | 5.3 | Cc1ccc(c(c1)[C@@H](c1ccccc1)CCN(C(C)C)C(C)C)O | 10.1038/s41467-023-40064-9 | |||
| DB01036 | 3842 | 64 | None | - | 10 | Human | 5.5 | pAC50 | = | 5.5 | Binding | ChEMBL | 325 | 7 | 1 | 2 | 5.3 | Cc1ccc(c(c1)[C@@H](c1ccccc1)CCN(C(C)C)C(C)C)O | 10.1038/s41467-023-40064-9 | |||
| 2520 | 204008 | 70 | None | -20 | 12 | Human | 5.5 | pAC50 | = | 5.5 | Binding | 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 | -20 | 12 | Human | 5.5 | pAC50 | = | 5.5 | Binding | 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 | -20 | 12 | Human | 5.5 | pAC50 | = | 5.5 | Binding | 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 | |||
| 2771 | 195017 | 74 | None | - | 27 | Human | 6.5 | pAC50 | = | 6.5 | Binding | ChEMBL | 324 | 5 | 0 | 3 | 3.8 | CN(C)CCCC1(c2ccc(F)cc2)OCc2cc(C#N)ccc21 | 10.1038/s41467-023-40064-9 | |||
| CHEMBL1200781 | 195017 | 74 | None | - | 27 | Human | 6.5 | pAC50 | = | 6.5 | Binding | ChEMBL | 324 | 5 | 0 | 3 | 3.8 | CN(C)CCCC1(c2ccc(F)cc2)OCc2cc(C#N)ccc21 | 10.1038/s41467-023-40064-9 | |||
| CHEMBL549 | 195017 | 74 | None | - | 27 | Human | 6.5 | pAC50 | = | 6.5 | Binding | ChEMBL | 324 | 5 | 0 | 3 | 3.8 | CN(C)CCCC1(c2ccc(F)cc2)OCc2cc(C#N)ccc21 | 10.1038/s41467-023-40064-9 | |||
| 2105 | 3054 | 37 | None | - | 33 | Human | 5.4 | pAC50 | = | 5.4 | Binding | 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 | - | 33 | Human | 5.4 | pAC50 | = | 5.4 | Binding | 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 | - | 33 | Human | 5.4 | pAC50 | = | 5.4 | Binding | 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 | - | 33 | Human | 5.4 | pAC50 | = | 5.4 | Binding | 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 | - | 33 | Human | 5.4 | pAC50 | = | 5.4 | Binding | 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 | |||
| 119570 | 3159 | 96 | None | -281 | 40 | Human | 5.4 | pAC50 | = | 5.4 | Binding | ChEMBL | 211 | 3 | 2 | 4 | 1.6 | CCCN[C@H]1CCc2c(C1)sc(n2)N | 10.1038/s41467-023-40064-9 | |||
| 2233 | 3159 | 96 | None | -281 | 40 | Human | 5.4 | pAC50 | = | 5.4 | Binding | ChEMBL | 211 | 3 | 2 | 4 | 1.6 | CCCN[C@H]1CCc2c(C1)sc(n2)N | 10.1038/s41467-023-40064-9 | |||
| 953 | 3159 | 96 | None | -281 | 40 | Human | 5.4 | pAC50 | = | 5.4 | Binding | ChEMBL | 211 | 3 | 2 | 4 | 1.6 | CCCN[C@H]1CCc2c(C1)sc(n2)N | 10.1038/s41467-023-40064-9 | |||
| CHEMBL301265 | 3159 | 96 | None | -281 | 40 | Human | 5.4 | pAC50 | = | 5.4 | Binding | ChEMBL | 211 | 3 | 2 | 4 | 1.6 | CCCN[C@H]1CCc2c(C1)sc(n2)N | 10.1038/s41467-023-40064-9 | |||
| DB00413 | 3159 | 96 | None | -281 | 40 | Human | 5.4 | pAC50 | = | 5.4 | Binding | ChEMBL | 211 | 3 | 2 | 4 | 1.6 | CCCN[C@H]1CCc2c(C1)sc(n2)N | 10.1038/s41467-023-40064-9 | |||
| 5411 | 204033 | 89 | None | - | 2 | Human | 5.4 | pAC50 | = | 5.4 | Binding | ChEMBL | 264 | 8 | 1 | 4 | 2.6 | CCCCNc1ccc(C(=O)OCCN(C)C)cc1 | 10.1038/s41467-023-40064-9 | |||
| CHEMBL698 | 204033 | 89 | None | - | 2 | Human | 5.4 | pAC50 | = | 5.4 | Binding | ChEMBL | 264 | 8 | 1 | 4 | 2.6 | CCCCNc1ccc(C(=O)OCCN(C)C)cc1 | 10.1038/s41467-023-40064-9 | |||
| 2337 | 3256 | 77 | None | -1122 | 62 | Human | 6.4 | pAC50 | = | 6.4 | Binding | ChEMBL | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | 10.1038/s41467-023-40064-9 | |||
| 50 | 3256 | 77 | None | -1122 | 62 | Human | 6.4 | pAC50 | = | 6.4 | Binding | ChEMBL | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | 10.1038/s41467-023-40064-9 | |||
| 5002 | 3256 | 77 | None | -1122 | 62 | Human | 6.4 | pAC50 | = | 6.4 | Binding | ChEMBL | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | 10.1038/s41467-023-40064-9 | |||
| CHEMBL716 | 3256 | 77 | None | -1122 | 62 | Human | 6.4 | pAC50 | = | 6.4 | Binding | ChEMBL | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | 10.1038/s41467-023-40064-9 | |||
| DB01224 | 3256 | 77 | None | -1122 | 62 | Human | 6.4 | pAC50 | = | 6.4 | Binding | ChEMBL | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | 10.1038/s41467-023-40064-9 | |||
| 2247 | 505 | 81 | None | -56 | 42 | Human | 6.4 | pAC50 | = | 6.4 | Binding | 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 | -56 | 42 | Human | 6.4 | pAC50 | = | 6.4 | Binding | 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 | -56 | 42 | Human | 6.4 | pAC50 | = | 6.4 | Binding | 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 | -56 | 42 | Human | 6.4 | pAC50 | = | 6.4 | Binding | 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 | -56 | 42 | Human | 6.4 | pAC50 | = | 6.4 | Binding | ChEMBL | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | 10.1038/s41467-023-40064-9 | |||
| 43815 | 186920 | 64 | None | - | 25 | Human | 5.4 | pAC50 | = | 5.4 | Binding | 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 | - | 25 | Human | 5.4 | pAC50 | = | 5.4 | Binding | 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 | - | 25 | Human | 5.4 | pAC50 | = | 5.4 | Binding | ChEMBL | 329 | 4 | 1 | 4 | 3.3 | Fc1ccc([C@@H]2CCNC[C@H]2COc2ccc3c(c2)OCO3)cc1 | 10.1038/s41467-023-40064-9 | |||
| 1210 | 918 | 51 | None | -446 | 21 | Human | 6.4 | pAC50 | = | 6.4 | Binding | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CC[C@H](c1ccccn1)c1ccc(cc1)Cl)C | 10.1038/s41467-023-40064-9 | |||
| 1213 | 918 | 51 | None | -446 | 21 | Human | 6.4 | pAC50 | = | 6.4 | Binding | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CC[C@H](c1ccccn1)c1ccc(cc1)Cl)C | 10.1038/s41467-023-40064-9 | |||
| 2725 | 918 | 51 | None | -446 | 21 | Human | 6.4 | pAC50 | = | 6.4 | Binding | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CC[C@H](c1ccccn1)c1ccc(cc1)Cl)C | 10.1038/s41467-023-40064-9 | |||
| 33036 | 918 | 51 | None | -446 | 21 | Human | 6.4 | pAC50 | = | 6.4 | Binding | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CC[C@H](c1ccccn1)c1ccc(cc1)Cl)C | 10.1038/s41467-023-40064-9 | |||
| 4411 | 918 | 51 | None | -446 | 21 | Human | 6.4 | pAC50 | = | 6.4 | Binding | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CC[C@H](c1ccccn1)c1ccc(cc1)Cl)C | 10.1038/s41467-023-40064-9 | |||
| 616 | 918 | 51 | None | -446 | 21 | Human | 6.4 | pAC50 | = | 6.4 | Binding | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CC[C@H](c1ccccn1)c1ccc(cc1)Cl)C | 10.1038/s41467-023-40064-9 | |||
| 6976 | 918 | 51 | None | -446 | 21 | Human | 6.4 | pAC50 | = | 6.4 | Binding | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CC[C@H](c1ccccn1)c1ccc(cc1)Cl)C | 10.1038/s41467-023-40064-9 | |||
| 716121 | 918 | 51 | None | -446 | 21 | Human | 6.4 | pAC50 | = | 6.4 | Binding | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CC[C@H](c1ccccn1)c1ccc(cc1)Cl)C | 10.1038/s41467-023-40064-9 | |||
| CHEMBL1201353 | 918 | 51 | None | -446 | 21 | Human | 6.4 | pAC50 | = | 6.4 | Binding | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CC[C@H](c1ccccn1)c1ccc(cc1)Cl)C | 10.1038/s41467-023-40064-9 | |||
| CHEMBL1554789 | 918 | 51 | None | -446 | 21 | Human | 6.4 | pAC50 | = | 6.4 | Binding | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CC[C@H](c1ccccn1)c1ccc(cc1)Cl)C | 10.1038/s41467-023-40064-9 | |||
| CHEMBL505 | 918 | 51 | None | -446 | 21 | Human | 6.4 | pAC50 | = | 6.4 | Binding | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CC[C@H](c1ccccn1)c1ccc(cc1)Cl)C | 10.1038/s41467-023-40064-9 | |||
| DB01114 | 918 | 51 | None | -446 | 21 | Human | 6.4 | pAC50 | = | 6.4 | Binding | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CC[C@H](c1ccccn1)c1ccc(cc1)Cl)C | 10.1038/s41467-023-40064-9 | |||
| DB13679 | 918 | 51 | None | -446 | 21 | Human | 6.4 | pAC50 | = | 6.4 | Binding | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CC[C@H](c1ccccn1)c1ccc(cc1)Cl)C | 10.1038/s41467-023-40064-9 | |||
| 11626560 | 200937 | 94 | None | - | 0 | Human | 5.4 | pAC50 | = | 5.4 | Binding | 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 | - | 0 | Human | 5.4 | pAC50 | = | 5.4 | Binding | 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 | |||
| 135398745 | 2914 | 112 | None | -9 | 65 | Human | 6.4 | pAC50 | = | 6.4 | Binding | ChEMBL | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | 10.1038/s41467-023-40064-9 | |||
| 47 | 2914 | 112 | None | -9 | 65 | Human | 6.4 | pAC50 | = | 6.4 | Binding | ChEMBL | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | 10.1038/s41467-023-40064-9 | |||
| CHEMBL715 | 2914 | 112 | None | -9 | 65 | Human | 6.4 | pAC50 | = | 6.4 | Binding | ChEMBL | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | 10.1038/s41467-023-40064-9 | |||
| DB00334 | 2914 | 112 | None | -9 | 65 | Human | 6.4 | pAC50 | = | 6.4 | Binding | ChEMBL | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | 10.1038/s41467-023-40064-9 | |||
| 2389 | 3331 | 118 | None | -288 | 67 | Human | 7.3 | pAC50 | = | 7.3 | Binding | 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 | -288 | 67 | Human | 7.3 | pAC50 | = | 7.3 | Binding | 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 | -288 | 67 | Human | 7.3 | pAC50 | = | 7.3 | Binding | 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 | -288 | 67 | Human | 7.3 | pAC50 | = | 7.3 | Binding | 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 | -288 | 67 | Human | 7.3 | pAC50 | = | 7.3 | Binding | ChEMBL | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | 10.1038/s41467-023-40064-9 | |||
| 214 | 3860 | 58 | None | - | 30 | Human | 6.3 | pAC50 | = | 6.3 | Binding | 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 | - | 30 | Human | 6.3 | pAC50 | = | 6.3 | Binding | 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 | - | 30 | Human | 6.3 | pAC50 | = | 6.3 | Binding | 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 | - | 30 | Human | 6.3 | pAC50 | = | 6.3 | Binding | 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 | - | 30 | Human | 6.3 | pAC50 | = | 6.3 | Binding | 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 | - | 30 | Human | 6.3 | pAC50 | = | 6.3 | Binding | ChEMBL | 407 | 4 | 0 | 4 | 4.9 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | 10.1038/s41467-023-40064-9 | |||
| CHEMBL3039583 | 210949 | 0 | None | - | 0 | Human | 5.3 | pAC50 | = | 5.3 | Binding | 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 | |||||
| 135398737 | 958 | 93 | None | -64 | 89 | Human | 7.3 | pAC50 | = | 7.3 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 10.1038/s41467-023-40064-9 | |||
| 38 | 958 | 93 | None | -64 | 89 | Human | 7.3 | pAC50 | = | 7.3 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 10.1038/s41467-023-40064-9 | |||
| 722 | 958 | 93 | None | -64 | 89 | Human | 7.3 | pAC50 | = | 7.3 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 10.1038/s41467-023-40064-9 | |||
| CHEMBL42 | 958 | 93 | None | -64 | 89 | Human | 7.3 | pAC50 | = | 7.3 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 10.1038/s41467-023-40064-9 | |||
| DB00363 | 958 | 93 | None | -64 | 89 | Human | 7.3 | pAC50 | = | 7.3 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 10.1038/s41467-023-40064-9 | |||
| 10100 | 15294 | 12 | None | - | 0 | Human | 5.3 | pAC50 | = | 5.3 | Binding | ChEMBL | 339 | 8 | 0 | 3 | 4.3 | CCC(=O)O[C@](Cc1ccccc1)(c1ccccc1)[C@H](C)CN(C)C | 10.1038/s41467-023-40064-9 | |||
| CHEMBL1213351 | 15294 | 12 | None | - | 0 | Human | 5.3 | pAC50 | = | 5.3 | Binding | ChEMBL | 339 | 8 | 0 | 3 | 4.3 | CCC(=O)O[C@](Cc1ccccc1)(c1ccccc1)[C@H](C)CN(C)C | 10.1038/s41467-023-40064-9 | |||
| 3158 | 56267 | 27 | None | -12589 | 20 | Human | 7.3 | pAC50 | = | 7.3 | Binding | ChEMBL | 279 | 3 | 0 | 2 | 4.0 | CN(C)CCC=C1c2ccccc2COc2ccccc21 | 10.1038/s41467-023-40064-9 | |||
| CHEMBL1628227 | 56267 | 27 | None | -12589 | 20 | Human | 7.3 | pAC50 | = | 7.3 | Binding | ChEMBL | 279 | 3 | 0 | 2 | 4.0 | CN(C)CCC=C1c2ccccc2COc2ccccc21 | 10.1038/s41467-023-40064-9 | |||
| 2286 | 3183 | 51 | None | -26 | 30 | Human | 7.3 | pAC50 | = | 7.3 | Binding | ChEMBL | 284 | 3 | 0 | 3 | 4.2 | CN(C(CN1c2ccccc2Sc2c1cccc2)C)C | 10.1038/s41467-023-40064-9 | |||
| 4927 | 3183 | 51 | None | -26 | 30 | Human | 7.3 | pAC50 | = | 7.3 | Binding | ChEMBL | 284 | 3 | 0 | 3 | 4.2 | CN(C(CN1c2ccccc2Sc2c1cccc2)C)C | 10.1038/s41467-023-40064-9 | |||
| 7282 | 3183 | 51 | None | -26 | 30 | Human | 7.3 | pAC50 | = | 7.3 | Binding | ChEMBL | 284 | 3 | 0 | 3 | 4.2 | CN(C(CN1c2ccccc2Sc2c1cccc2)C)C | 10.1038/s41467-023-40064-9 | |||
| CHEMBL643 | 3183 | 51 | None | -26 | 30 | Human | 7.3 | pAC50 | = | 7.3 | Binding | ChEMBL | 284 | 3 | 0 | 3 | 4.2 | CN(C(CN1c2ccccc2Sc2c1cccc2)C)C | 10.1038/s41467-023-40064-9 | |||
| DB01069 | 3183 | 51 | None | -26 | 30 | Human | 7.3 | pAC50 | = | 7.3 | Binding | ChEMBL | 284 | 3 | 0 | 3 | 4.2 | CN(C(CN1c2ccccc2Sc2c1cccc2)C)C | 10.1038/s41467-023-40064-9 | |||
| 135 | 2532 | 43 | None | -39 | 58 | Human | 7.3 | pAC50 | = | 7.3 | Binding | ChEMBL | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | 10.1038/s41467-023-40064-9 | |||
| 1796 | 2532 | 43 | None | -39 | 58 | Human | 7.3 | pAC50 | = | 7.3 | Binding | ChEMBL | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | 10.1038/s41467-023-40064-9 | |||
| 4184 | 2532 | 43 | None | -39 | 58 | Human | 7.3 | pAC50 | = | 7.3 | Binding | ChEMBL | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | 10.1038/s41467-023-40064-9 | |||
| CHEMBL6437 | 2532 | 43 | None | -39 | 58 | Human | 7.3 | pAC50 | = | 7.3 | Binding | ChEMBL | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | 10.1038/s41467-023-40064-9 | |||
| DB06148 | 2532 | 43 | None | -39 | 58 | Human | 7.3 | pAC50 | = | 7.3 | Binding | ChEMBL | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | 10.1038/s41467-023-40064-9 | |||
| 2865 | 4143 | 73 | None | -281 | 53 | Human | 6.2 | pAC50 | = | 6.2 | Binding | 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 | -281 | 53 | Human | 6.2 | pAC50 | = | 6.2 | Binding | 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 | -281 | 53 | Human | 6.2 | pAC50 | = | 6.2 | Binding | 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 | -281 | 53 | Human | 6.2 | pAC50 | = | 6.2 | Binding | 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 | -281 | 53 | Human | 6.2 | pAC50 | = | 6.2 | Binding | ChEMBL | 412 | 4 | 1 | 5 | 3.8 | O=C1Nc2c(C1)cc(c(c2)Cl)CCN1CCN(CC1)c1nsc2c1cccc2 | 10.1038/s41467-023-40064-9 | |||
| 1129 | 1621 | 96 | None | - | 1 | Human | 8.2 | pAC50 | = | 8.2 | Binding | ChEMBL | 337 | 7 | 4 | 6 | -0.8 | NC(=Nc1scc(n1)CSCC/C(=N/S(=O)(=O)N)/N)N | 10.1038/s41467-023-40064-9 | |||
| 3325 | 1621 | 96 | None | - | 1 | Human | 8.2 | pAC50 | = | 8.2 | Binding | ChEMBL | 337 | 7 | 4 | 6 | -0.8 | NC(=Nc1scc(n1)CSCC/C(=N/S(=O)(=O)N)/N)N | 10.1038/s41467-023-40064-9 | |||
| 5353622 | 1621 | 96 | None | - | 1 | Human | 8.2 | pAC50 | = | 8.2 | Binding | ChEMBL | 337 | 7 | 4 | 6 | -0.8 | NC(=Nc1scc(n1)CSCC/C(=N/S(=O)(=O)N)/N)N | 10.1038/s41467-023-40064-9 | |||
| 5702160 | 1621 | 96 | None | - | 1 | Human | 8.2 | pAC50 | = | 8.2 | Binding | ChEMBL | 337 | 7 | 4 | 6 | -0.8 | NC(=Nc1scc(n1)CSCC/C(=N/S(=O)(=O)N)/N)N | 10.1038/s41467-023-40064-9 | |||
| 7074 | 1621 | 96 | None | - | 1 | Human | 8.2 | pAC50 | = | 8.2 | Binding | ChEMBL | 337 | 7 | 4 | 6 | -0.8 | NC(=Nc1scc(n1)CSCC/C(=N/S(=O)(=O)N)/N)N | 10.1038/s41467-023-40064-9 | |||
| CHEMBL902 | 1621 | 96 | None | - | 1 | Human | 8.2 | pAC50 | = | 8.2 | Binding | ChEMBL | 337 | 7 | 4 | 6 | -0.8 | NC(=Nc1scc(n1)CSCC/C(=N/S(=O)(=O)N)/N)N | 10.1038/s41467-023-40064-9 | |||
| DB00927 | 1621 | 96 | None | - | 1 | Human | 8.2 | pAC50 | = | 8.2 | Binding | ChEMBL | 337 | 7 | 4 | 6 | -0.8 | NC(=Nc1scc(n1)CSCC/C(=N/S(=O)(=O)N)/N)N | 10.1038/s41467-023-40064-9 | |||
| 319 | 1324 | 44 | None | - | 9 | Human | 6.2 | pAC50 | = | 6.2 | Binding | 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 | - | 9 | Human | 6.2 | pAC50 | = | 6.2 | Binding | 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 | - | 9 | Human | 6.2 | pAC50 | = | 6.2 | Binding | 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 | - | 9 | Human | 6.2 | pAC50 | = | 6.2 | Binding | 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 | - | 9 | Human | 6.2 | pAC50 | = | 6.2 | Binding | 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 | - | 9 | Human | 6.2 | pAC50 | = | 6.2 | Binding | 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 | |||
| 2132 | 46224 | 91 | None | - | 0 | Human | 5.2 | pAC50 | = | 5.2 | Binding | ChEMBL | 376 | 3 | 3 | 3 | 3.2 | Nc1c(Br)cc(Br)cc1CN[C@H]1CC[C@H](O)CC1 | 10.1038/s41467-023-40064-9 | |||
| CHEMBL1514634 | 46224 | 91 | None | - | 0 | Human | 5.2 | pAC50 | = | 5.2 | Binding | ChEMBL | 376 | 3 | 3 | 3 | 3.2 | Nc1c(Br)cc(Br)cc1CN[C@H]1CC[C@H](O)CC1 | 10.1038/s41467-023-40064-9 | |||
| CHEMBL153479 | 46224 | 91 | None | - | 0 | Human | 5.2 | pAC50 | = | 5.2 | Binding | ChEMBL | 376 | 3 | 3 | 3 | 3.2 | Nc1c(Br)cc(Br)cc1CN[C@H]1CC[C@H](O)CC1 | 10.1038/s41467-023-40064-9 | |||
| 16362 | 3125 | 71 | None | - | 30 | Human | 6.2 | pAC50 | = | 6.2 | Binding | 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 | - | 30 | Human | 6.2 | pAC50 | = | 6.2 | Binding | 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 | - | 30 | Human | 6.2 | pAC50 | = | 6.2 | Binding | 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 | - | 30 | Human | 6.2 | pAC50 | = | 6.2 | Binding | 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 | - | 30 | Human | 6.2 | pAC50 | = | 6.2 | Binding | 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 | |||
| 1427 | 2013 | 54 | None | - | 27 | Human | 7.2 | pAC50 | = | 7.2 | Binding | ChEMBL | 280 | 4 | 0 | 2 | 3.9 | CN(CCCN1c2ccccc2CCc2c1cccc2)C | 10.1038/s41467-023-40064-9 | |||
| 357 | 2013 | 54 | None | - | 27 | Human | 7.2 | pAC50 | = | 7.2 | Binding | ChEMBL | 280 | 4 | 0 | 2 | 3.9 | CN(CCCN1c2ccccc2CCc2c1cccc2)C | 10.1038/s41467-023-40064-9 | |||
| 3696 | 2013 | 54 | None | - | 27 | Human | 7.2 | pAC50 | = | 7.2 | Binding | ChEMBL | 280 | 4 | 0 | 2 | 3.9 | CN(CCCN1c2ccccc2CCc2c1cccc2)C | 10.1038/s41467-023-40064-9 | |||
| CHEMBL11 | 2013 | 54 | None | - | 27 | Human | 7.2 | pAC50 | = | 7.2 | Binding | ChEMBL | 280 | 4 | 0 | 2 | 3.9 | CN(CCCN1c2ccccc2CCc2c1cccc2)C | 10.1038/s41467-023-40064-9 | |||
| DB00458 | 2013 | 54 | None | - | 27 | Human | 7.2 | pAC50 | = | 7.2 | Binding | ChEMBL | 280 | 4 | 0 | 2 | 3.9 | CN(CCCN1c2ccccc2CCc2c1cccc2)C | 10.1038/s41467-023-40064-9 | |||
| 1605 | 2342 | 117 | None | - | 4 | Human | 6.2 | pAC50 | = | 6.2 | Binding | ChEMBL | 382 | 1 | 0 | 3 | 4.9 | CCOC(=O)N1CCC(=C2c3ccc(cc3CCc3c2nccc3)Cl)CC1 | 10.1038/s41467-023-40064-9 | |||
| 3957 | 2342 | 117 | None | - | 4 | Human | 6.2 | pAC50 | = | 6.2 | Binding | ChEMBL | 382 | 1 | 0 | 3 | 4.9 | CCOC(=O)N1CCC(=C2c3ccc(cc3CCc3c2nccc3)Cl)CC1 | 10.1038/s41467-023-40064-9 | |||
| 7216 | 2342 | 117 | None | - | 4 | Human | 6.2 | pAC50 | = | 6.2 | Binding | ChEMBL | 382 | 1 | 0 | 3 | 4.9 | CCOC(=O)N1CCC(=C2c3ccc(cc3CCc3c2nccc3)Cl)CC1 | 10.1038/s41467-023-40064-9 | |||
| CHEMBL998 | 2342 | 117 | None | - | 4 | Human | 6.2 | pAC50 | = | 6.2 | Binding | ChEMBL | 382 | 1 | 0 | 3 | 4.9 | CCOC(=O)N1CCC(=C2c3ccc(cc3CCc3c2nccc3)Cl)CC1 | 10.1038/s41467-023-40064-9 | |||
| DB00455 | 2342 | 117 | None | - | 4 | Human | 6.2 | pAC50 | = | 6.2 | Binding | ChEMBL | 382 | 1 | 0 | 3 | 4.9 | CCOC(=O)N1CCC(=C2c3ccc(cc3CCc3c2nccc3)Cl)CC1 | 10.1038/s41467-023-40064-9 | |||
| 21722 | 17992 | 31 | None | - | 6 | Human | 6.2 | pAC50 | = | 6.2 | Binding | ChEMBL | 284 | 4 | 0 | 2 | 4.3 | CN(C)CCCn1c2c(c3ccccc31)CCCCCC2 | 10.1038/s41467-023-40064-9 | |||
| CHEMBL126224 | 17992 | 31 | None | - | 6 | Human | 6.2 | pAC50 | = | 6.2 | Binding | ChEMBL | 284 | 4 | 0 | 2 | 4.3 | CN(C)CCCn1c2c(c3ccccc31)CCCCCC2 | 10.1038/s41467-023-40064-9 | |||
| 16129706 | 209031 | 40 | None | - | 5 | Human | 5.1 | pAC50 | = | 5.1 | Binding | ChEMBL | None | None | None | C[C@H](N)C(=O)NCC(=O)N[C@H]1CSSC[C@@H](C(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC1=O | 10.1038/s41467-023-40064-9 | |||||
| CHEMBL1823872 | 209031 | 40 | None | - | 5 | Human | 5.1 | pAC50 | = | 5.1 | Binding | ChEMBL | None | None | None | C[C@H](N)C(=O)NCC(=O)N[C@H]1CSSC[C@@H](C(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC1=O | 10.1038/s41467-023-40064-9 | |||||
| 3883 | 183535 | 112 | None | - | 0 | Human | 5.1 | pAC50 | = | 5.1 | Binding | ChEMBL | 369 | 5 | 1 | 4 | 3.5 | Cc1c(OCC(F)(F)F)ccnc1C[S+]([O-])c1nc2ccccc2[nH]1 | 10.1038/s41467-023-40064-9 | |||
| CHEMBL480 | 183535 | 112 | None | - | 0 | Human | 5.1 | pAC50 | = | 5.1 | Binding | ChEMBL | 369 | 5 | 1 | 4 | 3.5 | Cc1c(OCC(F)(F)F)ccnc1C[S+]([O-])c1nc2ccccc2[nH]1 | 10.1038/s41467-023-40064-9 | |||
| 2351 | 3286 | 64 | None | - | 21 | Human | 5.1 | pAC50 | = | 5.1 | Binding | 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 | - | 21 | Human | 5.1 | pAC50 | = | 5.1 | Binding | 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 | - | 21 | Human | 5.1 | pAC50 | = | 5.1 | Binding | 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 | - | 21 | Human | 5.1 | pAC50 | = | 5.1 | Binding | 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 | - | 21 | Human | 5.1 | pAC50 | = | 5.1 | Binding | ChEMBL | 473 | 7 | 2 | 6 | 6.1 | Oc1ccc2c(c1)sc(c2C(=O)c1ccc(cc1)OCCN1CCCCC1)c1ccc(cc1)O | 10.1038/s41467-023-40064-9 | |||
| 2162 | 41514 | 100 | None | - | 6 | Human | 5.0 | pAC50 | = | 5.0 | Binding | 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 | - | 6 | Human | 5.0 | pAC50 | = | 5.0 | Binding | 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 | |||
| 25149708 | 188436 | 0 | None | - | 0 | Human | 7.0 | pEC50 | = | 7.0 | Binding | ChEMBL | 319 | 7 | 4 | 4 | 2.2 | CC(CC(=O)NC(=N)NCCCc1c[nH]cn1)c1cccs1 | 10.1021/jm800841w | |||
| CHEMBL502339 | 188436 | 0 | None | - | 0 | Human | 7.0 | pEC50 | = | 7.0 | Binding | ChEMBL | 319 | 7 | 4 | 4 | 2.2 | CC(CC(=O)NC(=N)NCCCc1c[nH]cn1)c1cccs1 | 10.1021/jm800841w | |||
| 42625304 | 179100 | 0 | None | - | 1 | Human | 7.0 | pEC50 | = | 7.0 | Binding | ChEMBL | 237 | 5 | 3 | 2 | 0.4 | CC(C)C(=O)/N=C(\N)NCCCc1c[nH]cn1 | 10.1021/jm9000693 | |||
| CHEMBL471724 | 179100 | 0 | None | - | 1 | Human | 7.0 | pEC50 | = | 7.0 | Binding | ChEMBL | 237 | 5 | 3 | 2 | 0.4 | CC(C)C(=O)/N=C(\N)NCCCc1c[nH]cn1 | 10.1021/jm9000693 | |||
| 25149613 | 179200 | 0 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Binding | ChEMBL | 382 | 8 | 4 | 5 | 2.7 | N=C(NCCCc1c[nH]cn1)NC(=O)CC(c1ccccc1)c1nccs1 | 10.1021/jm800841w | |||
| CHEMBL472441 | 179200 | 0 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Binding | ChEMBL | 382 | 8 | 4 | 5 | 2.7 | N=C(NCCCc1c[nH]cn1)NC(=O)CC(c1ccccc1)c1nccs1 | 10.1021/jm800841w | |||
| 1204 | 1932 | 119 | None | -173 | 24 | Human | 5.9 | pEC50 | = | 5.9 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/jm800841w | |||
| 1247 | 1932 | 119 | None | -173 | 24 | Human | 5.9 | pEC50 | = | 5.9 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/jm800841w | |||
| 1375 | 1932 | 119 | None | -173 | 24 | Human | 5.9 | pEC50 | = | 5.9 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/jm800841w | |||
| 774 | 1932 | 119 | None | -173 | 24 | Human | 5.9 | pEC50 | = | 5.9 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/jm800841w | |||
| CHEMBL90 | 1932 | 119 | None | -173 | 24 | Human | 5.9 | pEC50 | = | 5.9 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/jm800841w | |||
| DB05381 | 1932 | 119 | None | -173 | 24 | Human | 5.9 | pEC50 | = | 5.9 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/jm800841w | |||
| 1204 | 1932 | 119 | None | -173 | 24 | Human | 5.9 | pEC50 | = | 5.9 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/jm9000693 | |||
| 1247 | 1932 | 119 | None | -173 | 24 | Human | 5.9 | pEC50 | = | 5.9 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/jm9000693 | |||
| 1375 | 1932 | 119 | None | -173 | 24 | Human | 5.9 | pEC50 | = | 5.9 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/jm9000693 | |||
| 774 | 1932 | 119 | None | -173 | 24 | Human | 5.9 | pEC50 | = | 5.9 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/jm9000693 | |||
| CHEMBL90 | 1932 | 119 | None | -173 | 24 | Human | 5.9 | pEC50 | = | 5.9 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/jm9000693 | |||
| DB05381 | 1932 | 119 | None | -173 | 24 | Human | 5.9 | pEC50 | = | 5.9 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/jm9000693 | |||
| 1204 | 1932 | 119 | None | -173 | 24 | Human | 5.9 | pEC50 | = | 5.9 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1039/C3MD00245D | |||
| 1247 | 1932 | 119 | None | -173 | 24 | Human | 5.9 | pEC50 | = | 5.9 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1039/C3MD00245D | |||
| 1375 | 1932 | 119 | None | -173 | 24 | Human | 5.9 | pEC50 | = | 5.9 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1039/C3MD00245D | |||
| 774 | 1932 | 119 | None | -173 | 24 | Human | 5.9 | pEC50 | = | 5.9 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1039/C3MD00245D | |||
| CHEMBL90 | 1932 | 119 | None | -173 | 24 | Human | 5.9 | pEC50 | = | 5.9 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1039/C3MD00245D | |||
| DB05381 | 1932 | 119 | None | -173 | 24 | Human | 5.9 | pEC50 | = | 5.9 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1039/C3MD00245D | |||
| 46890166 | 7316 | 0 | None | - | 2 | Human | 6.9 | pEC50 | = | 6.9 | Binding | ChEMBL | 419 | 6 | 2 | 4 | 4.5 | Cc1cc(OCCCN2CCc3nc[nH]c3C2)ccc1-c1nc2c(C)c(F)ccc2[nH]1 | 10.1016/j.bmcl.2010.04.017 | |||
| CHEMBL1086105 | 7316 | 0 | None | - | 2 | Human | 6.9 | pEC50 | = | 6.9 | Binding | ChEMBL | 419 | 6 | 2 | 4 | 4.5 | Cc1cc(OCCCN2CCc3nc[nH]c3C2)ccc1-c1nc2c(C)c(F)ccc2[nH]1 | 10.1016/j.bmcl.2010.04.017 | |||
| 42625386 | 178353 | 0 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Binding | ChEMBL | 237 | 6 | 3 | 2 | 0.6 | CCCC(=O)/N=C(\N)NCCCc1c[nH]cn1 | 10.1021/jm9000693 | |||
| CHEMBL465170 | 178353 | 0 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Binding | ChEMBL | 237 | 6 | 3 | 2 | 0.6 | CCCC(=O)/N=C(\N)NCCCc1c[nH]cn1 | 10.1021/jm9000693 | |||
| 90667232 | 109471 | 0 | None | - | 1 | Human | 6.6 | pEC50 | = | 6.6 | Binding | ChEMBL | 313 | 7 | 3 | 2 | 2.0 | CC(CC(=O)/N=C(\N)NCCCc1cn[nH]c1)c1ccccc1 | 10.1039/C3MD00245D | |||
| CHEMBL3220633 | 109471 | 0 | None | - | 1 | Human | 6.6 | pEC50 | = | 6.6 | Binding | ChEMBL | 313 | 7 | 3 | 2 | 2.0 | CC(CC(=O)/N=C(\N)NCCCc1cn[nH]c1)c1ccccc1 | 10.1039/C3MD00245D | |||
| 10103168 | 26104 | 5 | None | - | 2 | Human | 5.6 | pEC50 | = | 5.6 | Binding | ChEMBL | 123 | 1 | 2 | 2 | 0.2 | N[C@@H]1C[C@H]1c1c[nH]cn1 | 10.1021/jm020415q | |||
| CHEMBL13559 | 26104 | 5 | None | - | 2 | Human | 5.6 | pEC50 | = | 5.6 | Binding | ChEMBL | 123 | 1 | 2 | 2 | 0.2 | N[C@@H]1C[C@H]1c1c[nH]cn1 | 10.1021/jm020415q | |||
| 182527 | 110568 | 8 | None | - | 0 | Human | 5.6 | pEC50 | = | 5.6 | Binding | ChEMBL | 167 | 4 | 4 | 2 | -0.2 | N=C(N)NCCCc1c[nH]cn1 | 10.1021/jm9000693 | |||
| CHEMBL325327 | 110568 | 8 | None | - | 0 | Human | 5.6 | pEC50 | = | 5.6 | Binding | ChEMBL | 167 | 4 | 4 | 2 | -0.2 | N=C(N)NCCCc1c[nH]cn1 | 10.1021/jm9000693 | |||
| 42626110 | 179769 | 0 | None | - | 0 | Human | 6.5 | pEC50 | = | 6.5 | Binding | ChEMBL | 310 | 5 | 4 | 2 | 1.6 | N/C(=N\C(=O)c1cc2ccccc2[nH]1)NCCCc1c[nH]cn1 | 10.1021/jm9000693 | |||
| CHEMBL474448 | 179769 | 0 | None | - | 0 | Human | 6.5 | pEC50 | = | 6.5 | Binding | ChEMBL | 310 | 5 | 4 | 2 | 1.6 | N/C(=N\C(=O)c1cc2ccccc2[nH]1)NCCCc1c[nH]cn1 | 10.1021/jm9000693 | |||
| 42625224 | 180764 | 0 | None | - | 1 | Human | 7.5 | pEC50 | = | 7.5 | Binding | ChEMBL | 395 | 9 | 5 | 3 | 1.5 | N/C(=N\C(=O)CCCNC(=O)c1cc2ccccc2[nH]1)NCCCc1c[nH]cn1 | 10.1021/jm9000693 | |||
| CHEMBL475620 | 180764 | 0 | None | - | 1 | Human | 7.5 | pEC50 | = | 7.5 | Binding | ChEMBL | 395 | 9 | 5 | 3 | 1.5 | N/C(=N\C(=O)CCCNC(=O)c1cc2ccccc2[nH]1)NCCCc1c[nH]cn1 | 10.1021/jm9000693 | |||
| 42625223 | 179925 | 0 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Binding | ChEMBL | 395 | 8 | 4 | 3 | 1.4 | CN(CCC(=O)/N=C(\N)NCCCc1c[nH]cn1)C(=O)c1cc2ccccc2[nH]1 | 10.1021/jm9000693 | |||
| CHEMBL474617 | 179925 | 0 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Binding | ChEMBL | 395 | 8 | 4 | 3 | 1.4 | CN(CCC(=O)/N=C(\N)NCCCc1c[nH]cn1)C(=O)c1cc2ccccc2[nH]1 | 10.1021/jm9000693 | |||
| 42626109 | 179768 | 0 | None | - | 1 | Human | 7.4 | pEC50 | = | 7.4 | Binding | ChEMBL | 324 | 6 | 4 | 2 | 1.5 | N/C(=N\C(=O)Cc1c[nH]c2ccccc12)NCCCc1c[nH]cn1 | 10.1021/jm9000693 | |||
| CHEMBL474447 | 179768 | 0 | None | - | 1 | Human | 7.4 | pEC50 | = | 7.4 | Binding | ChEMBL | 324 | 6 | 4 | 2 | 1.5 | N/C(=N\C(=O)Cc1c[nH]c2ccccc12)NCCCc1c[nH]cn1 | 10.1021/jm9000693 | |||
| 42625303 | 180766 | 0 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Binding | ChEMBL | 223 | 5 | 3 | 2 | 0.2 | CCC(=O)/N=C(\N)NCCCc1c[nH]cn1 | 10.1021/jm9000693 | |||
| CHEMBL475621 | 180766 | 0 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Binding | ChEMBL | 223 | 5 | 3 | 2 | 0.2 | CCC(=O)/N=C(\N)NCCCc1c[nH]cn1 | 10.1021/jm9000693 | |||
| 90667235 | 109474 | 0 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Binding | ChEMBL | 376 | 8 | 3 | 3 | 2.4 | N/C(=N\C(=O)CC(c1ccccc1)c1ccccc1)NCCCc1ncn[nH]1 | 10.1039/C3MD00245D | |||
| CHEMBL3220636 | 109474 | 0 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Binding | ChEMBL | 376 | 8 | 3 | 3 | 2.4 | N/C(=N\C(=O)CC(c1ccccc1)c1ccccc1)NCCCc1ncn[nH]1 | 10.1039/C3MD00245D | |||
| 1204 | 1932 | 119 | None | -173 | 24 | Human | 6.3 | pEC50 | = | 6.3 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/jm020415q | |||
| 1247 | 1932 | 119 | None | -173 | 24 | Human | 6.3 | pEC50 | = | 6.3 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/jm020415q | |||
| 1375 | 1932 | 119 | None | -173 | 24 | Human | 6.3 | pEC50 | = | 6.3 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/jm020415q | |||
| 774 | 1932 | 119 | None | -173 | 24 | Human | 6.3 | pEC50 | = | 6.3 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/jm020415q | |||
| CHEMBL90 | 1932 | 119 | None | -173 | 24 | Human | 6.3 | pEC50 | = | 6.3 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/jm020415q | |||
| DB05381 | 1932 | 119 | None | -173 | 24 | Human | 6.3 | pEC50 | = | 6.3 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/jm020415q | |||
| 25149335 | 184225 | 0 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Binding | ChEMBL | 313 | 7 | 3 | 2 | 2.0 | CC(CC(=O)/N=C(\N)NCCCc1c[nH]cn1)c1ccccc1 | 10.1021/jm800841w | |||
| CHEMBL483406 | 184225 | 0 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Binding | ChEMBL | 313 | 7 | 3 | 2 | 2.0 | CC(CC(=O)/N=C(\N)NCCCc1c[nH]cn1)c1ccccc1 | 10.1021/jm800841w | |||
| 25149335 | 184225 | 0 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Binding | ChEMBL | 313 | 7 | 3 | 2 | 2.0 | CC(CC(=O)/N=C(\N)NCCCc1c[nH]cn1)c1ccccc1 | 10.1021/jm9000693 | |||
| CHEMBL483406 | 184225 | 0 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Binding | ChEMBL | 313 | 7 | 3 | 2 | 2.0 | CC(CC(=O)/N=C(\N)NCCCc1c[nH]cn1)c1ccccc1 | 10.1021/jm9000693 | |||
| 25149335 | 184225 | 0 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Binding | ChEMBL | 313 | 7 | 3 | 2 | 2.0 | CC(CC(=O)/N=C(\N)NCCCc1c[nH]cn1)c1ccccc1 | 10.1039/C3MD00245D | |||
| CHEMBL483406 | 184225 | 0 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Binding | ChEMBL | 313 | 7 | 3 | 2 | 2.0 | CC(CC(=O)/N=C(\N)NCCCc1c[nH]cn1)c1ccccc1 | 10.1039/C3MD00245D | |||
| 10374457 | 28895 | 2 | None | - | 2 | Human | 6.2 | pEC50 | = | 6.2 | Binding | ChEMBL | 123 | 1 | 2 | 2 | 0.2 | N[C@H]1C[C@@H]1c1c[nH]cn1 | 10.1021/jm020415q | |||
| CHEMBL13795 | 28895 | 2 | None | - | 2 | Human | 6.2 | pEC50 | = | 6.2 | Binding | ChEMBL | 123 | 1 | 2 | 2 | 0.2 | N[C@H]1C[C@@H]1c1c[nH]cn1 | 10.1021/jm020415q | |||
| 42625384 | 169773 | 0 | None | - | 1 | Human | 6.1 | pEC50 | = | 6.1 | Binding | ChEMBL | 209 | 4 | 3 | 2 | -0.2 | CC(=O)/N=C(\N)NCCCc1c[nH]cn1 | 10.1021/jm9000693 | |||
| CHEMBL443896 | 169773 | 0 | None | - | 1 | Human | 6.1 | pEC50 | = | 6.1 | Binding | ChEMBL | 209 | 4 | 3 | 2 | -0.2 | CC(=O)/N=C(\N)NCCCc1c[nH]cn1 | 10.1021/jm9000693 | |||
| 90667234 | 109473 | 0 | None | - | 1 | Human | 6.1 | pEC50 | = | 6.1 | Binding | ChEMBL | 314 | 7 | 3 | 3 | 1.4 | CC(CC(=O)/N=C(\N)NCCCc1ncn[nH]1)c1ccccc1 | 10.1039/C3MD00245D | |||
| CHEMBL3220635 | 109473 | 0 | None | - | 1 | Human | 6.1 | pEC50 | = | 6.1 | Binding | ChEMBL | 314 | 7 | 3 | 3 | 1.4 | CC(CC(=O)/N=C(\N)NCCCc1ncn[nH]1)c1ccccc1 | 10.1039/C3MD00245D | |||
| 25149521 | 179052 | 0 | None | - | 1 | Human | 7.1 | pEC50 | = | 7.1 | Binding | ChEMBL | 375 | 8 | 4 | 3 | 3.2 | N=C(NCCCc1c[nH]cn1)NC(=O)CC(c1ccccc1)c1ccccc1 | 10.1021/jm800841w | |||
| CHEMBL471413 | 179052 | 0 | None | - | 1 | Human | 7.1 | pEC50 | = | 7.1 | Binding | ChEMBL | 375 | 8 | 4 | 3 | 3.2 | N=C(NCCCc1c[nH]cn1)NC(=O)CC(c1ccccc1)c1ccccc1 | 10.1021/jm800841w | |||
| 42625221 | 189588 | 0 | None | - | 1 | Human | 7.1 | pEC50 | = | 7.1 | Binding | ChEMBL | 338 | 7 | 4 | 2 | 1.9 | N/C(=N\C(=O)CCc1c[nH]c2ccccc12)NCCCc1c[nH]cn1 | 10.1021/jm9000693 | |||
| CHEMBL514641 | 189588 | 0 | None | - | 1 | Human | 7.1 | pEC50 | = | 7.1 | Binding | ChEMBL | 338 | 7 | 4 | 2 | 1.9 | N/C(=N\C(=O)CCc1c[nH]c2ccccc12)NCCCc1c[nH]cn1 | 10.1021/jm9000693 | |||
| 42626111 | 189694 | 0 | None | - | 0 | Human | 7.1 | pEC50 | = | 7.1 | Binding | ChEMBL | 381 | 8 | 5 | 3 | 1.1 | N/C(=N\C(=O)CCNC(=O)c1cc2ccccc2[nH]1)NCCCc1c[nH]cn1 | 10.1021/jm9000693 | |||
| CHEMBL515428 | 189694 | 0 | None | - | 0 | Human | 7.1 | pEC50 | = | 7.1 | Binding | ChEMBL | 381 | 8 | 5 | 3 | 1.1 | N/C(=N\C(=O)CCNC(=O)c1cc2ccccc2[nH]1)NCCCc1c[nH]cn1 | 10.1021/jm9000693 | |||
| 90667262 | 109480 | 0 | None | - | 0 | Human | 6.1 | pEC50 | = | 6.1 | Binding | ChEMBL | 324 | 7 | 2 | 2 | 2.6 | CC(CC(=O)/N=C(\N)NCCCc1ccccn1)c1ccccc1 | 10.1039/C3MD00245D | |||
| CHEMBL3220665 | 109480 | 0 | None | - | 0 | Human | 6.1 | pEC50 | = | 6.1 | Binding | ChEMBL | 324 | 7 | 2 | 2 | 2.6 | CC(CC(=O)/N=C(\N)NCCCc1ccccn1)c1ccccc1 | 10.1039/C3MD00245D | |||
| 11829635 | 163239 | 4 | None | - | 1 | Human | 7.0 | pEC50 | = | 7.0 | Binding | ChEMBL | 151 | 3 | 2 | 2 | 0.9 | NCC[C@H]1C[C@H]1c1c[nH]cn1 | 10.1021/jm020415q | |||
| CHEMBL418470 | 163239 | 4 | None | - | 1 | Human | 7.0 | pEC50 | = | 7.0 | Binding | ChEMBL | 151 | 3 | 2 | 2 | 0.9 | NCC[C@H]1C[C@H]1c1c[nH]cn1 | 10.1021/jm020415q | |||
| 42625222 | 179770 | 0 | None | - | 0 | Human | 6.0 | pEC50 | = | 6.0 | Binding | ChEMBL | 367 | 7 | 5 | 3 | 0.7 | N/C(=N\C(=O)CNC(=O)c1cc2ccccc2[nH]1)NCCCc1c[nH]cn1 | 10.1021/jm9000693 | |||
| CHEMBL474449 | 179770 | 0 | None | - | 0 | Human | 6.0 | pEC50 | = | 6.0 | Binding | ChEMBL | 367 | 7 | 5 | 3 | 0.7 | N/C(=N\C(=O)CNC(=O)c1cc2ccccc2[nH]1)NCCCc1c[nH]cn1 | 10.1021/jm9000693 | |||
| 11539632 | 70561 | 0 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 447 | 8 | 1 | 5 | 4.8 | Cc1cc(OCCN(C)C)nc2ccc(NC(=O)COc3ccc(Cl)cc3Cl)cc12 | 10.1021/jm050103y | |||
| CHEMBL194837 | 70561 | 0 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 447 | 8 | 1 | 5 | 4.8 | Cc1cc(OCCN(C)C)nc2ccc(NC(=O)COc3ccc(Cl)cc3Cl)cc12 | 10.1021/jm050103y | |||
| 132609385 | 158095 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 324 | 5 | 0 | 3 | 3.8 | COc1ccc(CN2CCCN(Cc3ccccc3)[C@@H](C)C2)cc1 | 10.1016/j.bmc.2017.07.027 | |||
| CHEMBL4086541 | 158095 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 324 | 5 | 0 | 3 | 3.8 | COc1ccc(CN2CCCN(Cc3ccccc3)[C@@H](C)C2)cc1 | 10.1016/j.bmc.2017.07.027 | |||
| 1231 | 937 | 116 | None | -2 | 7 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 252 | 5 | 3 | 4 | 0.6 | N#CNC(=NC)NCCSCc1nc[nH]c1C | 10.1016/j.bmc.2016.11.014 | |||
| 2756 | 937 | 116 | None | -2 | 7 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 252 | 5 | 3 | 4 | 0.6 | N#CNC(=NC)NCCSCc1nc[nH]c1C | 10.1016/j.bmc.2016.11.014 | |||
| 645 | 937 | 116 | None | -2 | 7 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 252 | 5 | 3 | 4 | 0.6 | N#CNC(=NC)NCCSCc1nc[nH]c1C | 10.1016/j.bmc.2016.11.014 | |||
| CHEMBL30 | 937 | 116 | None | -2 | 7 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 252 | 5 | 3 | 4 | 0.6 | N#CNC(=NC)NCCSCc1nc[nH]c1C | 10.1016/j.bmc.2016.11.014 | |||
| DB00501 | 937 | 116 | None | -2 | 7 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 252 | 5 | 3 | 4 | 0.6 | N#CNC(=NC)NCCSCc1nc[nH]c1C | 10.1016/j.bmc.2016.11.014 | |||
| 1231 | 937 | 116 | None | -2 | 7 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 252 | 5 | 3 | 4 | 0.6 | N#CNC(=NC)NCCSCc1nc[nH]c1C | 10.1016/j.bmc.2016.03.006 | |||
| 2756 | 937 | 116 | None | -2 | 7 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 252 | 5 | 3 | 4 | 0.6 | N#CNC(=NC)NCCSCc1nc[nH]c1C | 10.1016/j.bmc.2016.03.006 | |||
| 645 | 937 | 116 | None | -2 | 7 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 252 | 5 | 3 | 4 | 0.6 | N#CNC(=NC)NCCSCc1nc[nH]c1C | 10.1016/j.bmc.2016.03.006 | |||
| CHEMBL30 | 937 | 116 | None | -2 | 7 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 252 | 5 | 3 | 4 | 0.6 | N#CNC(=NC)NCCSCc1nc[nH]c1C | 10.1016/j.bmc.2016.03.006 | |||
| DB00501 | 937 | 116 | None | -2 | 7 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 252 | 5 | 3 | 4 | 0.6 | N#CNC(=NC)NCCSCc1nc[nH]c1C | 10.1016/j.bmc.2016.03.006 | |||
| 17747460 | 61329 | 12 | None | - | 4 | Human | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | 640 | 14 | 0 | 6 | 7.8 | O=c1c2ccccc2c(Cc2ccc(Cl)cc2)nn1C[C@H]1CCCN1CCCCc1ccc(OCCCN2CCCCCC2)cc1 | 10.1021/jm1013874 | |||
| CHEMBL1767164 | 61329 | 12 | None | - | 4 | Human | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | 640 | 14 | 0 | 6 | 7.8 | O=c1c2ccccc2c(Cc2ccc(Cl)cc2)nn1C[C@H]1CCCN1CCCCc1ccc(OCCCN2CCCCCC2)cc1 | 10.1021/jm1013874 | |||
| 10205121 | 66692 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | 464 | 6 | 1 | 4 | 6.5 | O=C(O)c1cccc(CN2CCC(c3cn(Cc4ccc(Cl)s4)c4ccccc34)CC2)c1 | 10.1021/jm0498203 | |||
| CHEMBL185489 | 66692 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | 464 | 6 | 1 | 4 | 6.5 | O=C(O)c1cccc(CN2CCC(c3cn(Cc4ccc(Cl)s4)c4ccccc34)CC2)c1 | 10.1021/jm0498203 | |||
| 10138404 | 136882 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | 444 | 8 | 1 | 5 | 5.2 | O=C(O)c1ccccc1OCCN1CCC(c2cn(Cc3ccco3)c3ccccc23)CC1 | 10.1021/jm0498203 | |||
| CHEMBL374218 | 136882 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | 444 | 8 | 1 | 5 | 5.2 | O=C(O)c1ccccc1OCCN1CCC(c2cn(Cc3ccco3)c3ccccc23)CC1 | 10.1021/jm0498203 | |||
| 9932752 | 141983 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | 436 | 8 | 1 | 4 | 5.1 | O=C(O)c1ccccc1OCCN1CCC(c2cn(CC3CC3)c3cc(F)ccc23)CC1 | 10.1021/jm0498203 | |||
| CHEMBL387391 | 141983 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | 436 | 8 | 1 | 4 | 5.1 | O=C(O)c1ccccc1OCCN1CCC(c2cn(CC3CC3)c3cc(F)ccc23)CC1 | 10.1021/jm0498203 | |||
| 44326821 | 207911 | 0 | None | - | 0 | Rat | 4.0 | pIC50 | = | 4 | Binding | ChEMBL | 559 | 12 | 5 | 6 | 2.2 | CC(C)C[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N(C)C | 10.1021/jm00381a002 | |||
| CHEMBL96738 | 207911 | 0 | None | - | 0 | Rat | 4.0 | pIC50 | = | 4 | Binding | ChEMBL | 559 | 12 | 5 | 6 | 2.2 | CC(C)C[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N(C)C | 10.1021/jm00381a002 | |||
| CHEMBL95063 | 215917 | 0 | None | - | 0 | Rat | 4.0 | pIC50 | = | 4 | Binding | ChEMBL | None | None | None | CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(=O)O)C(N)=O | 10.1021/jm00381a002 | |||||
| 135 | 2532 | 43 | None | -39 | 58 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | nan | |||
| 1796 | 2532 | 43 | None | -39 | 58 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | nan | |||
| 4184 | 2532 | 43 | None | -39 | 58 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | nan | |||
| CHEMBL6437 | 2532 | 43 | None | -39 | 58 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | nan | |||
| DB06148 | 2532 | 43 | None | -39 | 58 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | nan | |||
| 11785584 | 136964 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 512 | 8 | 1 | 5 | 6.5 | O=C(O)c1ccccc1OCCN1CCC(c2cn(Cc3ccc(Cl)s3)c3cc(F)ccc23)CC1 | 10.1021/jm0498203 | |||
| CHEMBL374459 | 136964 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 512 | 8 | 1 | 5 | 6.5 | O=C(O)c1ccccc1OCCN1CCC(c2cn(Cc3ccc(Cl)s3)c3cc(F)ccc23)CC1 | 10.1021/jm0498203 | |||
| 10885636 | 111016 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 503 | 9 | 0 | 4 | 5.7 | N#Cc1ccc(CCOC(=O)N2CCN(CCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1 | 10.1021/jm010878g | |||
| CHEMBL326263 | 111016 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 503 | 9 | 0 | 4 | 5.7 | N#Cc1ccc(CCOC(=O)N2CCN(CCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1 | 10.1021/jm010878g | |||
| 1588 | 2325 | 27 | None | -223 | 44 | Human | 6.0 | pIC50 | = | 6.0 | 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 | -223 | 44 | Human | 6.0 | pIC50 | = | 6.0 | 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 | -223 | 44 | Human | 6.0 | pIC50 | = | 6.0 | 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 | -223 | 44 | Human | 6.0 | pIC50 | = | 6.0 | 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 | -223 | 44 | Human | 6.0 | pIC50 | = | 6.0 | 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 | |||
| 176 | 398 | 66 | None | -6 | 31 | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 645 | 11 | 0 | 4 | 6.9 | CCCCc1oc2c(c1C(=O)c1cc(I)c(c(c1)I)OCCN(CC)CC)cccc2 | nan | |||
| 2157 | 398 | 66 | None | -6 | 31 | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 645 | 11 | 0 | 4 | 6.9 | CCCCc1oc2c(c1C(=O)c1cc(I)c(c(c1)I)OCCN(CC)CC)cccc2 | nan | |||
| 2566 | 398 | 66 | None | -6 | 31 | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 645 | 11 | 0 | 4 | 6.9 | CCCCc1oc2c(c1C(=O)c1cc(I)c(c(c1)I)OCCN(CC)CC)cccc2 | nan | |||
| CHEMBL633 | 398 | 66 | None | -6 | 31 | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 645 | 11 | 0 | 4 | 6.9 | CCCCc1oc2c(c1C(=O)c1cc(I)c(c(c1)I)OCCN(CC)CC)cccc2 | nan | |||
| DB01118 | 398 | 66 | None | -6 | 31 | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 645 | 11 | 0 | 4 | 6.9 | CCCCc1oc2c(c1C(=O)c1cc(I)c(c(c1)I)OCCN(CC)CC)cccc2 | nan | |||
| 657255 | 199084 | 34 | None | -3 | 15 | Human | 7.0 | pIC50 | = | 7.0 | 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 | -3 | 15 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 337 | 12 | 2 | 3 | 5.6 | CCCCCCCCN[C@H](C)[C@@H](O)c1ccc(SC(C)C)cc1 | nan | |||
| 124087 | 1389 | 114 | None | -29 | 15 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 310 | 0 | 1 | 2 | 4.0 | Clc1ccc2c(c1)CCc1c(C2=C2CCNCC2)nccc1 | nan | |||
| 7157 | 1389 | 114 | None | -29 | 15 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 310 | 0 | 1 | 2 | 4.0 | Clc1ccc2c(c1)CCc1c(C2=C2CCNCC2)nccc1 | nan | |||
| 814 | 1389 | 114 | None | -29 | 15 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 310 | 0 | 1 | 2 | 4.0 | Clc1ccc2c(c1)CCc1c(C2=C2CCNCC2)nccc1 | nan | |||
| CHEMBL1172 | 1389 | 114 | None | -29 | 15 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 310 | 0 | 1 | 2 | 4.0 | Clc1ccc2c(c1)CCc1c(C2=C2CCNCC2)nccc1 | nan | |||
| DB00967 | 1389 | 114 | None | -29 | 15 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 310 | 0 | 1 | 2 | 4.0 | Clc1ccc2c(c1)CCc1c(C2=C2CCNCC2)nccc1 | nan | |||
| 11057 | 176149 | 23 | None | -2 | 20 | Human | 5.9 | pIC50 | = | 5.9 | 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 | -2 | 20 | Human | 5.9 | pIC50 | = | 5.9 | 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 | -2 | 20 | Human | 5.9 | pIC50 | = | 5.9 | 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 | -2 | 20 | Human | 5.9 | pIC50 | = | 5.9 | 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 | |||
| 2286 | 3183 | 51 | None | -26 | 30 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 284 | 3 | 0 | 3 | 4.2 | CN(C(CN1c2ccccc2Sc2c1cccc2)C)C | nan | |||
| 4927 | 3183 | 51 | None | -26 | 30 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 284 | 3 | 0 | 3 | 4.2 | CN(C(CN1c2ccccc2Sc2c1cccc2)C)C | nan | |||
| 7282 | 3183 | 51 | None | -26 | 30 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 284 | 3 | 0 | 3 | 4.2 | CN(C(CN1c2ccccc2Sc2c1cccc2)C)C | nan | |||
| CHEMBL643 | 3183 | 51 | None | -26 | 30 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 284 | 3 | 0 | 3 | 4.2 | CN(C(CN1c2ccccc2Sc2c1cccc2)C)C | nan | |||
| DB01069 | 3183 | 51 | None | -26 | 30 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 284 | 3 | 0 | 3 | 4.2 | CN(C(CN1c2ccccc2Sc2c1cccc2)C)C | nan | |||
| 1353 | 1911 | 93 | None | -131 | 83 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | nan | |||
| 3559 | 1911 | 93 | None | -131 | 83 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | nan | |||
| 86 | 1911 | 93 | None | -131 | 83 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | nan | |||
| CHEMBL54 | 1911 | 93 | None | -131 | 83 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | nan | |||
| DB00502 | 1911 | 93 | None | -131 | 83 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | nan | |||
| 11362693 | 141612 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 440 | 9 | 1 | 5 | 4.4 | COCCn1cc(C2CCN(CCOc3ccccc3C(=O)O)CC2)c2ccc(F)cc21 | 10.1021/jm0498203 | |||
| CHEMBL385133 | 141612 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 440 | 9 | 1 | 5 | 4.4 | COCCn1cc(C2CCN(CCOc3ccccc3C(=O)O)CC2)c2ccc(F)cc21 | 10.1021/jm0498203 | |||
| 1201549 | 597 | 24 | None | -74 | 20 | Human | 5.9 | pIC50 | = | 5.9 | 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 | -74 | 20 | Human | 5.9 | pIC50 | = | 5.9 | 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 | -74 | 20 | Human | 5.9 | pIC50 | = | 5.9 | 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 | -74 | 20 | Human | 5.9 | pIC50 | = | 5.9 | 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 | -74 | 20 | Human | 5.9 | pIC50 | = | 5.9 | 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 | -74 | 20 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 307 | 4 | 0 | 2 | 4.4 | CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(c1ccccc1)c1ccccc1 | nan | |||
| 1212 | 1662 | 50 | None | -323 | 65 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | nan | |||
| 204 | 1662 | 50 | None | -323 | 65 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | nan | |||
| 3372 | 1662 | 50 | None | -323 | 65 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | nan | |||
| CHEMBL726 | 1662 | 50 | None | -323 | 65 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | nan | |||
| DB00623 | 1662 | 50 | None | -323 | 65 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | nan | |||
| 9889247 | 84761 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 436 | 10 | 1 | 5 | 4.6 | CCOCCn1cc(C2CCN(CCOc3cccc(C(=O)O)c3)CC2)c2ccccc21 | 10.1021/jm0498203 | |||
| CHEMBL223024 | 84761 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 436 | 10 | 1 | 5 | 4.6 | CCOCCn1cc(C2CCN(CCOc3cccc(C(=O)O)c3)CC2)c2ccccc21 | 10.1021/jm0498203 | |||
| 11071079 | 110593 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 496 | 9 | 0 | 3 | 6.0 | O=C(OCCc1ccc(F)cc1)N1CCN(CCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1 | 10.1021/jm010878g | |||
| CHEMBL325516 | 110593 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 496 | 9 | 0 | 3 | 6.0 | O=C(OCCc1ccc(F)cc1)N1CCN(CCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1 | 10.1021/jm010878g | |||
| 10202996 | 84642 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 430 | 6 | 1 | 4 | 5.8 | O=C(O)c1cccc(CN2CCC(c3cn(Cc4cccs4)c4ccccc34)CC2)c1 | 10.1021/jm0498203 | |||
| CHEMBL222372 | 84642 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 430 | 6 | 1 | 4 | 5.8 | O=C(O)c1cccc(CN2CCC(c3cn(Cc4cccs4)c4ccccc34)CC2)c1 | 10.1021/jm0498203 | |||
| 11113605 | 10507 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 480 | 9 | 0 | 2 | 5.8 | O=C(CCc1ccc(F)cc1)N1CCN(CCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1 | 10.1021/jm010878g | |||
| CHEMBL116735 | 10507 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 480 | 9 | 0 | 2 | 5.8 | O=C(CCc1ccc(F)cc1)N1CCN(CCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1 | 10.1021/jm010878g | |||
| 11329753 | 84563 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 514 | 10 | 1 | 5 | 5.4 | CCOCCn1cc(C2CCN(CCOc3ccccc3C(=O)O)CC2)c2cccc(Br)c21 | 10.1021/jm0498203 | |||
| CHEMBL222083 | 84563 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 514 | 10 | 1 | 5 | 5.4 | CCOCCn1cc(C2CCN(CCOc3ccccc3C(=O)O)CC2)c2cccc(Br)c21 | 10.1021/jm0498203 | |||
| 1231 | 937 | 116 | None | -2 | 7 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 252 | 5 | 3 | 4 | 0.6 | N#CNC(=NC)NCCSCc1nc[nH]c1C | 10.1016/j.ejmech.2013.01.044 | |||
| 2756 | 937 | 116 | None | -2 | 7 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 252 | 5 | 3 | 4 | 0.6 | N#CNC(=NC)NCCSCc1nc[nH]c1C | 10.1016/j.ejmech.2013.01.044 | |||
| 645 | 937 | 116 | None | -2 | 7 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 252 | 5 | 3 | 4 | 0.6 | N#CNC(=NC)NCCSCc1nc[nH]c1C | 10.1016/j.ejmech.2013.01.044 | |||
| CHEMBL30 | 937 | 116 | None | -2 | 7 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 252 | 5 | 3 | 4 | 0.6 | N#CNC(=NC)NCCSCc1nc[nH]c1C | 10.1016/j.ejmech.2013.01.044 | |||
| DB00501 | 937 | 116 | None | -2 | 7 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 252 | 5 | 3 | 4 | 0.6 | N#CNC(=NC)NCCSCc1nc[nH]c1C | 10.1016/j.ejmech.2013.01.044 | |||
| 104903 | 56344 | 17 | None | -5 | 6 | Human | 4.9 | pIC50 | = | 4.9 | 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 | -5 | 6 | Human | 4.9 | pIC50 | = | 4.9 | 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 | |||
| 72548703 | 161567 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 583 | 8 | 3 | 6 | 5.8 | CC(C)(C)NS(=O)(=O)c1ccc(-c2sc(C(=O)N[C@H]3C[C@H](C(=O)O)C3)nc2CC2CCCCC2)c2ccccc12 | 10.1016/j.bmcl.2018.03.093 | |||
| CHEMBL4128926 | 161567 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 583 | 8 | 3 | 6 | 5.8 | CC(C)(C)NS(=O)(=O)c1ccc(-c2sc(C(=O)N[C@H]3C[C@H](C(=O)O)C3)nc2CC2CCCCC2)c2ccccc12 | 10.1016/j.bmcl.2018.03.093 | |||
| 2389 | 3331 | 118 | None | -288 | 67 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | nan | |||
| 5073 | 3331 | 118 | None | -288 | 67 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | nan | |||
| 96 | 3331 | 118 | None | -288 | 67 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | nan | |||
| CHEMBL85 | 3331 | 118 | None | -288 | 67 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | nan | |||
| DB00734 | 3331 | 118 | None | -288 | 67 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | nan | |||
| 10139591 | 84640 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 462 | 7 | 1 | 5 | 5.5 | COc1ccc(CN2CCC(c3cn(Cc4ccoc4)c4cc(F)ccc34)CC2)cc1C(=O)O | 10.1021/jm0498203 | |||
| CHEMBL222356 | 84640 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 462 | 7 | 1 | 5 | 5.5 | COc1ccc(CN2CCC(c3cn(Cc4ccoc4)c4cc(F)ccc34)CC2)cc1C(=O)O | 10.1021/jm0498203 | |||
| 11329754 | 141982 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 514 | 10 | 1 | 5 | 5.4 | CCOCCn1cc(C2CCN(CCOc3ccccc3C(=O)O)CC2)c2cc(Br)ccc21 | 10.1021/jm0498203 | |||
| CHEMBL387390 | 141982 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 514 | 10 | 1 | 5 | 5.4 | CCOCCn1cc(C2CCN(CCOc3ccccc3C(=O)O)CC2)c2cc(Br)ccc21 | 10.1021/jm0498203 | |||
| CHEMBL96946 | 215922 | 0 | None | - | 0 | Rat | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | None | None | None | CC(C)C[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](C)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(=O)O)C(N)=O | 10.1021/jm00381a002 | |||||
| 57469 | 18866 | 125 | None | -1 | 3 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 240 | 2 | 1 | 4 | 2.8 | CC(C)Cn1cnc2c(N)nc3ccccc3c21 | nan | |||
| CHEMBL1282 | 18866 | 125 | None | -1 | 3 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 240 | 2 | 1 | 4 | 2.8 | CC(C)Cn1cnc2c(N)nc3ccccc3c21 | nan | |||
| 3198 | 205513 | 76 | None | -19 | 34 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 380 | 6 | 0 | 3 | 5.8 | Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1 | nan | |||
| CHEMBL1201049 | 205513 | 76 | None | -19 | 34 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 380 | 6 | 0 | 3 | 5.8 | Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1 | nan | |||
| CHEMBL808 | 205513 | 76 | None | -19 | 34 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 380 | 6 | 0 | 3 | 5.8 | Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1 | nan | |||
| 3042 | 1414 | 35 | None | -53 | 14 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 309 | 7 | 0 | 3 | 4.4 | CCN(CCOC(=O)C1(CCCCC1)C1CCCCC1)CC | nan | |||
| 355 | 1414 | 35 | None | -53 | 14 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 309 | 7 | 0 | 3 | 4.4 | CCN(CCOC(=O)C1(CCCCC1)C1CCCCC1)CC | nan | |||
| 868 | 1414 | 35 | None | -53 | 14 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 309 | 7 | 0 | 3 | 4.4 | CCN(CCOC(=O)C1(CCCCC1)C1CCCCC1)CC | nan | |||
| CHEMBL1123 | 1414 | 35 | None | -53 | 14 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 309 | 7 | 0 | 3 | 4.4 | CCN(CCOC(=O)C1(CCCCC1)C1CCCCC1)CC | nan | |||
| DB00804 | 1414 | 35 | None | -53 | 14 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 309 | 7 | 0 | 3 | 4.4 | CCN(CCOC(=O)C1(CCCCC1)C1CCCCC1)CC | nan | |||
| 2247 | 505 | 81 | None | -56 | 42 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | nan | |||
| 249 | 505 | 81 | None | -56 | 42 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | nan | |||
| 2603 | 505 | 81 | None | -56 | 42 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | nan | |||
| CHEMBL296419 | 505 | 81 | None | -56 | 42 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | nan | |||
| DB00637 | 505 | 81 | None | -56 | 42 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | nan | |||
| 9822631 | 122959 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 406 | 8 | 1 | 4 | 4.8 | CCOCCn1cc(C2CCN(Cc3cccc(C(=O)O)c3)CC2)c2ccccc21 | 10.1021/jm0498203 | |||
| CHEMBL360791 | 122959 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 406 | 8 | 1 | 4 | 4.8 | CCOCCn1cc(C2CCN(Cc3cccc(C(=O)O)c3)CC2)c2ccccc21 | 10.1021/jm0498203 | |||
| 1231 | 937 | 116 | None | -2 | 7 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 252 | 5 | 3 | 4 | 0.6 | N#CNC(=NC)NCCSCc1nc[nH]c1C | 10.1021/jm8007618 | |||
| 2756 | 937 | 116 | None | -2 | 7 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 252 | 5 | 3 | 4 | 0.6 | N#CNC(=NC)NCCSCc1nc[nH]c1C | 10.1021/jm8007618 | |||
| 645 | 937 | 116 | None | -2 | 7 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 252 | 5 | 3 | 4 | 0.6 | N#CNC(=NC)NCCSCc1nc[nH]c1C | 10.1021/jm8007618 | |||
| CHEMBL30 | 937 | 116 | None | -2 | 7 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 252 | 5 | 3 | 4 | 0.6 | N#CNC(=NC)NCCSCc1nc[nH]c1C | 10.1021/jm8007618 | |||
| DB00501 | 937 | 116 | None | -2 | 7 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 252 | 5 | 3 | 4 | 0.6 | N#CNC(=NC)NCCSCc1nc[nH]c1C | 10.1021/jm8007618 | |||
| 10141470 | 123557 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 494 | 8 | 1 | 5 | 6.4 | O=C(O)c1ccccc1OCCN1CCC(c2cn(Cc3ccc(Cl)s3)c3ccccc23)CC1 | 10.1021/jm0498203 | |||
| CHEMBL361805 | 123557 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 494 | 8 | 1 | 5 | 6.4 | O=C(O)c1ccccc1OCCN1CCC(c2cn(Cc3ccc(Cl)s3)c3ccccc23)CC1 | 10.1021/jm0498203 | |||
| 3158 | 56267 | 27 | None | -12589 | 20 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 279 | 3 | 0 | 2 | 4.0 | CN(C)CCC=C1c2ccccc2COc2ccccc21 | nan | |||
| CHEMBL1628227 | 56267 | 27 | None | -12589 | 20 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 279 | 3 | 0 | 2 | 4.0 | CN(C)CCC=C1c2ccccc2COc2ccccc21 | nan | |||
| 11476077 | 136407 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 436 | 10 | 1 | 5 | 4.5 | CCOCCn1cc(C2CCN(Cc3cccc(OCC(=O)O)c3)CC2)c2ccccc21 | 10.1021/jm0498203 | |||
| CHEMBL373534 | 136407 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 436 | 10 | 1 | 5 | 4.5 | CCOCCn1cc(C2CCN(Cc3cccc(OCC(=O)O)c3)CC2)c2ccccc21 | 10.1021/jm0498203 | |||
| 5291 | 207437 | 120 | None | -1 | 2 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 493 | 7 | 2 | 7 | 4.6 | Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1 | nan | |||
| CHEMBL941 | 207437 | 120 | None | -1 | 2 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 493 | 7 | 2 | 7 | 4.6 | Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1 | nan | |||
| 277 | 1301 | 62 | None | -43 | 50 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 287 | 0 | 0 | 1 | 4.7 | CN1CCC(=C2c3ccccc3C=Cc3c2cccc3)CC1 | nan | |||
| 2913 | 1301 | 62 | None | -43 | 50 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 287 | 0 | 0 | 1 | 4.7 | CN1CCC(=C2c3ccccc3C=Cc3c2cccc3)CC1 | nan | |||
| 765 | 1301 | 62 | None | -43 | 50 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 287 | 0 | 0 | 1 | 4.7 | CN1CCC(=C2c3ccccc3C=Cc3c2cccc3)CC1 | nan | |||
| CHEMBL516 | 1301 | 62 | None | -43 | 50 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 287 | 0 | 0 | 1 | 4.7 | CN1CCC(=C2c3ccccc3C=Cc3c2cccc3)CC1 | nan | |||
| DB00434 | 1301 | 62 | None | -43 | 50 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 287 | 0 | 0 | 1 | 4.7 | CN1CCC(=C2c3ccccc3C=Cc3c2cccc3)CC1 | nan | |||
| 11730467 | 11028 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 476 | 10 | 0 | 2 | 6.0 | O=C(CCCc1ccccc1)N1CCN(CCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1 | 10.1021/jm010878g | |||
| CHEMBL117537 | 11028 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 476 | 10 | 0 | 2 | 6.0 | O=C(CCCc1ccccc1)N1CCN(CCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1 | 10.1021/jm010878g | |||
| CHEMBL328512 | 211297 | 0 | None | - | 0 | Rat | 4.7 | pIC50 | = | 4.7 | Binding | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](C)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(=O)O)C(N)=O | 10.1021/jm00381a002 | |||||
| CHEMBL96681 | 215918 | 0 | None | - | 0 | Rat | 4.7 | pIC50 | = | 4.7 | Binding | ChEMBL | None | None | None | CC(C)C[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CCC(=O)O)C(N)=O | 10.1021/jm00381a002 | |||||
| 2398 | 954 | 62 | None | -13 | 29 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 314 | 4 | 0 | 2 | 4.5 | CN(CCCN1c2ccccc2CCc2c1cc(Cl)cc2)C | nan | |||
| 2801 | 954 | 62 | None | -13 | 29 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 314 | 4 | 0 | 2 | 4.5 | CN(CCCN1c2ccccc2CCc2c1cc(Cl)cc2)C | nan | |||
| 701 | 954 | 62 | None | -13 | 29 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 314 | 4 | 0 | 2 | 4.5 | CN(CCCN1c2ccccc2CCc2c1cc(Cl)cc2)C | nan | |||
| CHEMBL415 | 954 | 62 | None | -13 | 29 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 314 | 4 | 0 | 2 | 4.5 | CN(CCCN1c2ccccc2CCc2c1cc(Cl)cc2)C | nan | |||
| DB01242 | 954 | 62 | None | -13 | 29 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 314 | 4 | 0 | 2 | 4.5 | CN(CCCN1c2ccccc2CCc2c1cc(Cl)cc2)C | nan | |||
| 11430513 | 84631 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 436 | 10 | 1 | 5 | 4.5 | CCOCCn1cc(C2CCN(Cc3ccccc3OCC(=O)O)CC2)c2ccccc21 | 10.1021/jm0498203 | |||
| CHEMBL222217 | 84631 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 436 | 10 | 1 | 5 | 4.5 | CCOCCn1cc(C2CCN(Cc3ccccc3OCC(=O)O)CC2)c2ccccc21 | 10.1021/jm0498203 | |||
| 10140544 | 141639 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 478 | 9 | 1 | 6 | 4.4 | O=C(O)c1ccccc1OCCN1CCC(c2cn(CCC3COCCO3)c3ccccc23)CC1 | 10.1021/jm0498203 | |||
| CHEMBL385311 | 141639 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 478 | 9 | 1 | 6 | 4.4 | O=C(O)c1ccccc1OCCN1CCC(c2cn(CCC3COCCO3)c3ccccc23)CC1 | 10.1021/jm0498203 | |||
| 11189839 | 84334 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 438 | 9 | 1 | 4 | 5.5 | CCCCn1cc(C2CCN(CCOc3ccccc3C(=O)O)CC2)c2ccc(F)cc21 | 10.1021/jm0498203 | |||
| CHEMBL221664 | 84334 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 438 | 9 | 1 | 4 | 5.5 | CCCCn1cc(C2CCN(CCOc3ccccc3C(=O)O)CC2)c2ccc(F)cc21 | 10.1021/jm0498203 | |||
| 3823 | 50221 | 42 | None | -66 | 10 | Human | 4.7 | pIC50 | = | 4.7 | Binding | ChEMBL | 530 | 7 | 0 | 7 | 4.2 | CC(=O)N1CCN(c2ccc(OCC3COC(Cn4ccnc4)(c4ccc(Cl)cc4Cl)O3)cc2)CC1 | nan | |||
| 76973198 | 50221 | 42 | None | -66 | 10 | Human | 4.7 | pIC50 | = | 4.7 | Binding | ChEMBL | 530 | 7 | 0 | 7 | 4.2 | CC(=O)N1CCN(c2ccc(OCC3COC(Cn4ccnc4)(c4ccc(Cl)cc4Cl)O3)cc2)CC1 | nan | |||
| CHEMBL157101 | 50221 | 42 | None | -66 | 10 | Human | 4.7 | pIC50 | = | 4.7 | Binding | ChEMBL | 530 | 7 | 0 | 7 | 4.2 | CC(=O)N1CCN(c2ccc(OCC3COC(Cn4ccnc4)(c4ccc(Cl)cc4Cl)O3)cc2)CC1 | nan | |||
| 1235 | 3823 | 36 | None | -2 | 4 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 312 | 6 | 4 | 6 | -0.1 | N#CNC(=NC)NCCSCc1csc(n1)N=C(N)N | 10.1016/j.bmcl.2013.01.025 | |||
| 3959 | 3823 | 36 | None | -2 | 4 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 312 | 6 | 4 | 6 | -0.1 | N#CNC(=NC)NCCSCc1csc(n1)N=C(N)N | 10.1016/j.bmcl.2013.01.025 | |||
| 50287 | 3823 | 36 | None | -2 | 4 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 312 | 6 | 4 | 6 | -0.1 | N#CNC(=NC)NCCSCc1csc(n1)N=C(N)N | 10.1016/j.bmcl.2013.01.025 | |||
| CHEMBL269646 | 3823 | 36 | None | -2 | 4 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 312 | 6 | 4 | 6 | -0.1 | N#CNC(=NC)NCCSCc1csc(n1)N=C(N)N | 10.1016/j.bmcl.2013.01.025 | |||
| 11166846 | 84301 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 450 | 10 | 1 | 5 | 4.9 | CCOCCn1cc(C2CCN(CCOc3ccc(C)cc3C(=O)O)CC2)c2ccccc21 | 10.1021/jm0498203 | |||
| CHEMBL221462 | 84301 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 450 | 10 | 1 | 5 | 4.9 | CCOCCn1cc(C2CCN(CCOc3ccc(C)cc3C(=O)O)CC2)c2ccccc21 | 10.1021/jm0498203 | |||
| 1971 | 2866 | 38 | None | -22 | 30 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 263 | 3 | 1 | 1 | 3.8 | CNCCC=C1c2ccccc2CCc2c1cccc2 | nan | |||
| 2404 | 2866 | 38 | None | -22 | 30 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 263 | 3 | 1 | 1 | 3.8 | CNCCC=C1c2ccccc2CCc2c1cccc2 | nan | |||
| 4543 | 2866 | 38 | None | -22 | 30 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 263 | 3 | 1 | 1 | 3.8 | CNCCC=C1c2ccccc2CCc2c1cccc2 | nan | |||
| CHEMBL445 | 2866 | 38 | None | -22 | 30 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 263 | 3 | 1 | 1 | 3.8 | CNCCC=C1c2ccccc2CCc2c1cccc2 | nan | |||
| DB00540 | 2866 | 38 | None | -22 | 30 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 263 | 3 | 1 | 1 | 3.8 | CNCCC=C1c2ccccc2CCc2c1cccc2 | nan | |||
| CHEMBL44345 | 213922 | 0 | None | - | 0 | Rat | 4.6 | pIC50 | = | 4.6 | Binding | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(=O)O)C(N)=O | 10.1021/jm00381a002 | |||||
| 2060890 | 203048 | 34 | None | - | 0 | Rat | 3.6 | pIC50 | = | 3.6 | Binding | ChEMBL | 342 | 5 | 3 | 2 | 3.2 | O=C(N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O)c1ccc(Cl)cc1 | 10.1021/jm00381a002 | |||
| CHEMBL63544 | 203048 | 34 | None | - | 0 | Rat | 3.6 | pIC50 | = | 3.6 | Binding | ChEMBL | 342 | 5 | 3 | 2 | 3.2 | O=C(N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O)c1ccc(Cl)cc1 | 10.1021/jm00381a002 | |||
| 2281 | 3175 | 82 | None | - | 0 | Rat | 2.6 | pIC50 | = | 2.6 | Binding | ChEMBL | 334 | 10 | 2 | 3 | 2.3 | CCCN(C(=O)C(NC(=O)c1ccccc1)CCC(=O)O)CCC | 10.1021/jm00381a002 | |||
| 4922 | 3175 | 82 | None | - | 0 | Rat | 2.6 | pIC50 | = | 2.6 | Binding | ChEMBL | 334 | 10 | 2 | 3 | 2.3 | CCCN(C(=O)C(NC(=O)c1ccccc1)CCC(=O)O)CCC | 10.1021/jm00381a002 | |||
| 893 | 3175 | 82 | None | - | 0 | Rat | 2.6 | pIC50 | = | 2.6 | Binding | ChEMBL | 334 | 10 | 2 | 3 | 2.3 | CCCN(C(=O)C(NC(=O)c1ccccc1)CCC(=O)O)CCC | 10.1021/jm00381a002 | |||
| CHEMBL316561 | 3175 | 82 | None | - | 0 | Rat | 2.6 | pIC50 | = | 2.6 | Binding | ChEMBL | 334 | 10 | 2 | 3 | 2.3 | CCCN(C(=O)C(NC(=O)c1ccccc1)CCC(=O)O)CCC | 10.1021/jm00381a002 | |||
| DB13431 | 3175 | 82 | None | - | 0 | Rat | 2.6 | pIC50 | = | 2.6 | Binding | ChEMBL | 334 | 10 | 2 | 3 | 2.3 | CCCN(C(=O)C(NC(=O)c1ccccc1)CCC(=O)O)CCC | 10.1021/jm00381a002 | |||
| 2520 | 204008 | 70 | None | -20 | 12 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 454 | 13 | 0 | 6 | 5.1 | COc1ccc(CCN(C)CCCC(C#N)(c2ccc(OC)c(OC)c2)C(C)C)cc1OC | nan | |||
| CHEMBL1280 | 204008 | 70 | None | -20 | 12 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 454 | 13 | 0 | 6 | 5.1 | COc1ccc(CCN(C)CCCC(C#N)(c2ccc(OC)c(OC)c2)C(C)C)cc1OC | nan | |||
| CHEMBL6966 | 204008 | 70 | None | -20 | 12 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 454 | 13 | 0 | 6 | 5.1 | COc1ccc(CCN(C)CCCC(C#N)(c2ccc(OC)c(OC)c2)C(C)C)cc1OC | nan | |||
| 11293983 | 84291 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 454 | 10 | 1 | 5 | 4.8 | CCOCCn1cc(C2CCN(CCOc3ccccc3C(=O)O)CC2)c2ccc(F)cc21 | 10.1021/jm0498203 | |||
| CHEMBL221413 | 84291 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 454 | 10 | 1 | 5 | 4.8 | CCOCCn1cc(C2CCN(CCOc3ccccc3C(=O)O)CC2)c2ccc(F)cc21 | 10.1021/jm0498203 | |||
| 2726 | 919 | 68 | None | -85 | 72 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | nan | |||
| 621 | 919 | 68 | None | -85 | 72 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | nan | |||
| 83 | 919 | 68 | None | -85 | 72 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | nan | |||
| CHEMBL71 | 919 | 68 | None | -85 | 72 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | nan | |||
| DB00477 | 919 | 68 | None | -85 | 72 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | nan | |||
| 118139356 | 179723 | 28 | None | - | 0 | Human | 4.6 | pIC50 | = | 4.6 | Binding | ChEMBL | 435 | 7 | 2 | 7 | 3.2 | Cc1cc(-c2ccnc(Nc3cnn(C)c3)n2)ccc1CNC(=O)N1CC(OC(C)C)C1 | 10.1021/acs.jmedchem.0c00702 | |||
| CHEMBL4744041 | 179723 | 28 | None | - | 0 | Human | 4.6 | pIC50 | = | 4.6 | Binding | ChEMBL | 435 | 7 | 2 | 7 | 3.2 | Cc1cc(-c2ccnc(Nc3cnn(C)c3)n2)ccc1CNC(=O)N1CC(OC(C)C)C1 | 10.1021/acs.jmedchem.0c00702 | |||
| 1231 | 937 | 116 | None | -2 | 7 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 252 | 5 | 3 | 4 | 0.6 | N#CNC(=NC)NCCSCc1nc[nH]c1C | 10.1016/j.bmc.2013.03.016 | |||
| 2756 | 937 | 116 | None | -2 | 7 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 252 | 5 | 3 | 4 | 0.6 | N#CNC(=NC)NCCSCc1nc[nH]c1C | 10.1016/j.bmc.2013.03.016 | |||
| 645 | 937 | 116 | None | -2 | 7 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 252 | 5 | 3 | 4 | 0.6 | N#CNC(=NC)NCCSCc1nc[nH]c1C | 10.1016/j.bmc.2013.03.016 | |||
| CHEMBL30 | 937 | 116 | None | -2 | 7 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 252 | 5 | 3 | 4 | 0.6 | N#CNC(=NC)NCCSCc1nc[nH]c1C | 10.1016/j.bmc.2013.03.016 | |||
| DB00501 | 937 | 116 | None | -2 | 7 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 252 | 5 | 3 | 4 | 0.6 | N#CNC(=NC)NCCSCc1nc[nH]c1C | 10.1016/j.bmc.2013.03.016 | |||
| 18609376 | 204359 | 63 | None | - | 1 | Human | 4.6 | pIC50 | = | 4.6 | Binding | ChEMBL | 386 | 2 | 0 | 4 | 4.7 | CC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3C[C@H](C)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C | nan | |||
| 6279 | 204359 | 63 | None | - | 1 | Human | 4.6 | pIC50 | = | 4.6 | Binding | ChEMBL | 386 | 2 | 0 | 4 | 4.7 | CC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3C[C@H](C)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C | nan | |||
| CHEMBL717 | 204359 | 63 | None | - | 1 | Human | 4.6 | pIC50 | = | 4.6 | Binding | ChEMBL | 386 | 2 | 0 | 4 | 4.7 | CC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3C[C@H](C)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C | nan | |||
| 2284 | 3182 | 33 | None | -53 | 29 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 284 | 4 | 0 | 3 | 4.2 | CN(CCCN1c2ccccc2Sc2c1cccc2)C | nan | |||
| 4926 | 3182 | 33 | None | -53 | 29 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 284 | 4 | 0 | 3 | 4.2 | CN(CCCN1c2ccccc2Sc2c1cccc2)C | nan | |||
| 7281 | 3182 | 33 | None | -53 | 29 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 284 | 4 | 0 | 3 | 4.2 | CN(CCCN1c2ccccc2Sc2c1cccc2)C | nan | |||
| CHEMBL564 | 3182 | 33 | None | -53 | 29 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 284 | 4 | 0 | 3 | 4.2 | CN(CCCN1c2ccccc2Sc2c1cccc2)C | nan | |||
| DB00420 | 3182 | 33 | None | -53 | 29 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 284 | 4 | 0 | 3 | 4.2 | CN(CCCN1c2ccccc2Sc2c1cccc2)C | nan | |||
| 11443495 | 84350 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 504 | 10 | 1 | 5 | 5.7 | CCOCCn1cc(C2CCN(CCOc3ccccc3C(=O)O)CC2)c2ccc(C(F)(F)F)cc21 | 10.1021/jm0498203 | |||
| CHEMBL221718 | 84350 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 504 | 10 | 1 | 5 | 5.7 | CCOCCn1cc(C2CCN(CCOc3ccccc3C(=O)O)CC2)c2ccc(C(F)(F)F)cc21 | 10.1021/jm0498203 | |||
| 10298838 | 168794 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 469 | 9 | 1 | 5 | 5.2 | O=C(O)c1ccccc1OCCN1CCC(c2cn(CCc3ccccn3)c3ccccc23)CC1 | 10.1021/jm0498203 | |||
| CHEMBL437519 | 168794 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 469 | 9 | 1 | 5 | 5.2 | O=C(O)c1ccccc1OCCN1CCC(c2cn(CCc3ccccn3)c3ccccc23)CC1 | 10.1021/jm0498203 | |||
| 3191 | 102858 | 97 | None | -24 | 25 | Human | 5.5 | pIC50 | = | 5.5 | 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 | -24 | 25 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 469 | 9 | 0 | 3 | 7.2 | CC(C)(C)c1ccc(C(=O)CCCN2CCC(OC(c3ccccc3)c3ccccc3)CC2)cc1 | nan | |||
| 10162727 | 84618 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 478 | 7 | 1 | 5 | 6.0 | COc1ccc(CN2CCC(c3cn(Cc4cccs4)c4cc(F)ccc34)CC2)cc1C(=O)O | 10.1021/jm0498203 | |||
| CHEMBL222139 | 84618 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 478 | 7 | 1 | 5 | 6.0 | COc1ccc(CN2CCC(c3cn(Cc4cccs4)c4cc(F)ccc34)CC2)cc1C(=O)O | 10.1021/jm0498203 | |||
| CHEMBL2370238 | 209811 | 0 | None | - | 0 | Rat | 4.5 | pIC50 | = | 4.5 | Binding | ChEMBL | None | None | None | CC(C)C[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N1CCCC[C@H]1C(=O)O | 10.1021/jm00381a002 | |||||
| CHEMBL262692 | 210545 | 0 | None | - | 0 | Rat | 4.5 | pIC50 | = | 4.5 | Binding | ChEMBL | None | None | None | CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(=O)O)C(N)=O | 10.1021/jm00381a002 | |||||
| CHEMBL289310 | 210871 | 0 | None | - | 0 | Rat | 4.5 | pIC50 | = | 4.5 | Binding | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(=O)O)C(N)=O | 10.1021/jm00381a002 | |||||
| CHEMBL318221 | 211212 | 0 | None | - | 0 | Rat | 4.5 | pIC50 | = | 4.5 | Binding | ChEMBL | None | None | None | CC(C)C[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)O | 10.1021/jm00381a002 | |||||
| CHEMBL91765 | 215904 | 0 | None | - | 0 | Rat | 4.5 | pIC50 | = | 4.5 | Binding | ChEMBL | None | None | None | CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(=O)O)C(N)=O | 10.1021/jm00381a002 | |||||
| 11211919 | 84753 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 406 | 8 | 1 | 4 | 4.8 | CCOCCn1cc(C2CCN(Cc3ccccc3C(=O)O)CC2)c2ccccc21 | 10.1021/jm0498203 | |||
| CHEMBL222984 | 84753 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 406 | 8 | 1 | 4 | 4.8 | CCOCCn1cc(C2CCN(Cc3ccccc3C(=O)O)CC2)c2ccccc21 | 10.1021/jm0498203 | |||
| 10279311 | 84351 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 512 | 7 | 1 | 5 | 6.6 | COc1ccc(CN2CCC(c3cn(Cc4ccc(Cl)s4)c4cc(F)ccc34)CC2)cc1C(=O)O | 10.1021/jm0498203 | |||
| CHEMBL221730 | 84351 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 512 | 7 | 1 | 5 | 6.6 | COc1ccc(CN2CCC(c3cn(Cc4ccc(Cl)s4)c4cc(F)ccc34)CC2)cc1C(=O)O | 10.1021/jm0498203 | |||
| 1599 | 2341 | 50 | None | -154 | 16 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 476 | 7 | 1 | 3 | 5.1 | Clc1ccc(cc1)C1(O)CCN(CC1)CCC(C(=O)N(C)C)(c1ccccc1)c1ccccc1 | nan | |||
| 3955 | 2341 | 50 | None | -154 | 16 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 476 | 7 | 1 | 3 | 5.1 | Clc1ccc(cc1)C1(O)CCN(CC1)CCC(C(=O)N(C)C)(c1ccccc1)c1ccccc1 | nan | |||
| 7215 | 2341 | 50 | None | -154 | 16 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 476 | 7 | 1 | 3 | 5.1 | Clc1ccc(cc1)C1(O)CCN(CC1)CCC(C(=O)N(C)C)(c1ccccc1)c1ccccc1 | nan | |||
| CHEMBL841 | 2341 | 50 | None | -154 | 16 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 476 | 7 | 1 | 3 | 5.1 | Clc1ccc(cc1)C1(O)CCN(CC1)CCC(C(=O)N(C)C)(c1ccccc1)c1ccccc1 | nan | |||
| DB00836 | 2341 | 50 | None | -154 | 16 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 476 | 7 | 1 | 3 | 5.1 | Clc1ccc(cc1)C1(O)CCN(CC1)CCC(C(=O)N(C)C)(c1ccccc1)c1ccccc1 | nan | |||
| 11247939 | 137105 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 450 | 10 | 1 | 5 | 4.9 | CCOCCn1cc(C2CCN(CCOc3ccccc3C(=O)O)CC2)c2cccc(C)c21 | 10.1021/jm0498203 | |||
| CHEMBL374754 | 137105 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 450 | 10 | 1 | 5 | 4.9 | CCOCCn1cc(C2CCN(CCOc3ccccc3C(=O)O)CC2)c2cccc(C)c21 | 10.1021/jm0498203 | |||
| 10226501 | 137874 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 460 | 7 | 1 | 5 | 5.8 | COc1ccc(CN2CCC(c3cn(Cc4cccs4)c4ccccc34)CC2)cc1C(=O)O | 10.1021/jm0498203 | |||
| CHEMBL376202 | 137874 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 460 | 7 | 1 | 5 | 5.8 | COc1ccc(CN2CCC(c3cn(Cc4cccs4)c4ccccc34)CC2)cc1C(=O)O | 10.1021/jm0498203 | |||
| 11282005 | 66066 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 436 | 10 | 1 | 5 | 4.6 | CCOCCn1cc(C2CCN(CCOc3ccccc3C(=O)O)CC2)c2ccccc21 | 10.1021/jm0498203 | |||
| CHEMBL183706 | 66066 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 436 | 10 | 1 | 5 | 4.6 | CCOCCn1cc(C2CCN(CCOc3ccccc3C(=O)O)CC2)c2ccccc21 | 10.1021/jm0498203 | |||
| CHEMBL330142 | 211326 | 0 | None | - | 0 | Rat | 4.5 | pIC50 | = | 4.5 | Binding | ChEMBL | None | None | None | CC(C)C[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)C(=O)N[C@H](CC(=O)O)C(N)=O | 10.1021/jm00381a002 | |||||
| 237 | 204865 | 48 | None | -3 | 13 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 399 | 9 | 1 | 4 | 6.0 | CCN(CC)CCCC(C)Nc1c2ccc(Cl)cc2nc2ccc(OC)cc12 | nan | |||
| CHEMBL546257 | 204865 | 48 | None | -3 | 13 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 399 | 9 | 1 | 4 | 6.0 | CCN(CC)CCCC(C)Nc1c2ccc(Cl)cc2nc2ccc(OC)cc12 | nan | |||
| CHEMBL554190 | 204865 | 48 | None | -3 | 13 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 399 | 9 | 1 | 4 | 6.0 | CCN(CC)CCCC(C)Nc1c2ccc(Cl)cc2nc2ccc(OC)cc12 | nan | |||
| CHEMBL7568 | 204865 | 48 | None | -3 | 13 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 399 | 9 | 1 | 4 | 6.0 | CCN(CC)CCCC(C)Nc1c2ccc(Cl)cc2nc2ccc(OC)cc12 | nan | |||
| 135398737 | 958 | 93 | None | -64 | 89 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | nan | |||
| 38 | 958 | 93 | None | -64 | 89 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | nan | |||
| 722 | 958 | 93 | None | -64 | 89 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | nan | |||
| CHEMBL42 | 958 | 93 | None | -64 | 89 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | nan | |||
| DB00363 | 958 | 93 | None | -64 | 89 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | nan | |||
| 11005810 | 10466 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 517 | 10 | 1 | 4 | 6.2 | N#Cc1ccc(CCOC(=O)NC2CCN(CCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1 | 10.1021/jm010878g | |||
| CHEMBL116463 | 10466 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 517 | 10 | 1 | 4 | 6.2 | N#Cc1ccc(CCOC(=O)NC2CCN(CCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1 | 10.1021/jm010878g | |||
| 26987 | 949 | 33 | None | -177 | 21 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 343 | 6 | 0 | 2 | 5.1 | Clc1ccc(cc1)[C@@](c1ccccc1)(OCC[C@H]1CCCN1C)C | nan | |||
| 6063 | 949 | 33 | None | -177 | 21 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 343 | 6 | 0 | 2 | 5.1 | Clc1ccc(cc1)[C@@](c1ccccc1)(OCC[C@H]1CCCN1C)C | nan | |||
| 671 | 949 | 33 | None | -177 | 21 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 343 | 6 | 0 | 2 | 5.1 | Clc1ccc(cc1)[C@@](c1ccccc1)(OCC[C@H]1CCCN1C)C | nan | |||
| CHEMBL1626 | 949 | 33 | None | -177 | 21 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 343 | 6 | 0 | 2 | 5.1 | Clc1ccc(cc1)[C@@](c1ccccc1)(OCC[C@H]1CCCN1C)C | nan | |||
| DB00283 | 949 | 33 | None | -177 | 21 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 343 | 6 | 0 | 2 | 5.1 | Clc1ccc(cc1)[C@@](c1ccccc1)(OCC[C@H]1CCCN1C)C | nan | |||
| 11212029 | 84619 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 410 | 7 | 1 | 4 | 4.5 | COCCn1cc(C2CCN(Cc3cccc(C(=O)O)c3)CC2)c2ccc(F)cc21 | 10.1021/jm0498203 | |||
| CHEMBL222142 | 84619 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 410 | 7 | 1 | 4 | 4.5 | COCCn1cc(C2CCN(Cc3cccc(C(=O)O)c3)CC2)c2ccc(F)cc21 | 10.1021/jm0498203 | |||
| 11259138 | 85012 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 436 | 10 | 1 | 5 | 4.5 | CCOCCn1cc(C2CCN(Cc3ccc(OCC(=O)O)cc3)CC2)c2ccccc21 | 10.1021/jm0498203 | |||
| CHEMBL223882 | 85012 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 436 | 10 | 1 | 5 | 4.5 | CCOCCn1cc(C2CCN(Cc3ccc(OCC(=O)O)cc3)CC2)c2ccccc21 | 10.1021/jm0498203 | |||
| 4011 | 82408 | 49 | None | -27 | 24 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 277 | 4 | 1 | 1 | 4.2 | CNCCCC12CCC(c3ccccc31)c1ccccc12 | nan | |||
| CHEMBL21731 | 82408 | 49 | None | -27 | 24 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 277 | 4 | 1 | 1 | 4.2 | CNCCCC12CCC(c3ccccc31)c1ccccc12 | nan | |||
| CHEMBL94917 | 215915 | 0 | None | - | 0 | Rat | 4.4 | pIC50 | = | 4.4 | Binding | ChEMBL | None | None | None | CC(C)C[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC(=O)O)C(N)=O | 10.1021/jm00381a002 | |||||
| 1530 | 2182 | 50 | None | -151 | 21 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 309 | 0 | 0 | 3 | 4.0 | CN1CCC(=C2c3ccccc3CC(=O)c3c2ccs3)CC1 | nan | |||
| 3827 | 2182 | 50 | None | -151 | 21 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 309 | 0 | 0 | 3 | 4.0 | CN1CCC(=C2c3ccccc3CC(=O)c3c2ccs3)CC1 | nan | |||
| 7206 | 2182 | 50 | None | -151 | 21 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 309 | 0 | 0 | 3 | 4.0 | CN1CCC(=C2c3ccccc3CC(=O)c3c2ccs3)CC1 | nan | |||
| CHEMBL534 | 2182 | 50 | None | -151 | 21 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 309 | 0 | 0 | 3 | 4.0 | CN1CCC(=C2c3ccccc3CC(=O)c3c2ccs3)CC1 | nan | |||
| DB00920 | 2182 | 50 | None | -151 | 21 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 309 | 0 | 0 | 3 | 4.0 | CN1CCC(=C2c3ccccc3CC(=O)c3c2ccs3)CC1 | nan | |||
| 1129 | 1621 | 96 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 337 | 7 | 4 | 6 | -0.8 | NC(=Nc1scc(n1)CSCC/C(=N/S(=O)(=O)N)/N)N | nan | |||
| 3325 | 1621 | 96 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 337 | 7 | 4 | 6 | -0.8 | NC(=Nc1scc(n1)CSCC/C(=N/S(=O)(=O)N)/N)N | nan | |||
| 5353622 | 1621 | 96 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 337 | 7 | 4 | 6 | -0.8 | NC(=Nc1scc(n1)CSCC/C(=N/S(=O)(=O)N)/N)N | nan | |||
| 5702160 | 1621 | 96 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 337 | 7 | 4 | 6 | -0.8 | NC(=Nc1scc(n1)CSCC/C(=N/S(=O)(=O)N)/N)N | nan | |||
| 7074 | 1621 | 96 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 337 | 7 | 4 | 6 | -0.8 | NC(=Nc1scc(n1)CSCC/C(=N/S(=O)(=O)N)/N)N | nan | |||
| CHEMBL902 | 1621 | 96 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 337 | 7 | 4 | 6 | -0.8 | NC(=Nc1scc(n1)CSCC/C(=N/S(=O)(=O)N)/N)N | nan | |||
| DB00927 | 1621 | 96 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 337 | 7 | 4 | 6 | -0.8 | NC(=Nc1scc(n1)CSCC/C(=N/S(=O)(=O)N)/N)N | nan | |||
| 10161929 | 137187 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 464 | 9 | 1 | 6 | 4.4 | O=C(O)c1ccccc1OCCN1CCC(c2cn(CCC3OCCO3)c3ccccc23)CC1 | 10.1021/jm0498203 | |||
| CHEMBL374869 | 137187 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 464 | 9 | 1 | 6 | 4.4 | O=C(O)c1ccccc1OCCN1CCC(c2cn(CCC3OCCO3)c3ccccc23)CC1 | 10.1021/jm0498203 | |||
| 1231 | 937 | 116 | None | -2 | 7 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 252 | 5 | 3 | 4 | 0.6 | N#CNC(=NC)NCCSCc1nc[nH]c1C | 10.1021/acs.jmedchem.6b01422 | |||
| 2756 | 937 | 116 | None | -2 | 7 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 252 | 5 | 3 | 4 | 0.6 | N#CNC(=NC)NCCSCc1nc[nH]c1C | 10.1021/acs.jmedchem.6b01422 | |||
| 645 | 937 | 116 | None | -2 | 7 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 252 | 5 | 3 | 4 | 0.6 | N#CNC(=NC)NCCSCc1nc[nH]c1C | 10.1021/acs.jmedchem.6b01422 | |||
| CHEMBL30 | 937 | 116 | None | -2 | 7 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 252 | 5 | 3 | 4 | 0.6 | N#CNC(=NC)NCCSCc1nc[nH]c1C | 10.1021/acs.jmedchem.6b01422 | |||
| DB00501 | 937 | 116 | None | -2 | 7 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 252 | 5 | 3 | 4 | 0.6 | N#CNC(=NC)NCCSCc1nc[nH]c1C | 10.1021/acs.jmedchem.6b01422 | |||
| 11238716 | 84292 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 592 | 10 | 1 | 5 | 6.2 | CCOCCn1cc(C2CCN(CCOc3c(Br)cc(Br)cc3C(=O)O)CC2)c2ccccc21 | 10.1021/jm0498203 | |||
| CHEMBL221414 | 84292 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 592 | 10 | 1 | 5 | 6.2 | CCOCCn1cc(C2CCN(CCOc3c(Br)cc(Br)cc3C(=O)O)CC2)c2ccccc21 | 10.1021/jm0498203 | |||
| 10204866 | 84736 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 460 | 8 | 1 | 5 | 5.7 | O=C(O)c1ccccc1OCCN1CCC(c2cn(Cc3cccs3)c3ccccc23)CC1 | 10.1021/jm0498203 | |||
| CHEMBL222881 | 84736 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 460 | 8 | 1 | 5 | 5.7 | O=C(O)c1ccccc1OCCN1CCC(c2cn(Cc3cccs3)c3ccccc23)CC1 | 10.1021/jm0498203 | |||
| 11396873 | 136985 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 454 | 10 | 1 | 5 | 4.8 | CCOCCn1cc(C2CCN(CCOc3ccccc3C(=O)O)CC2)c2cc(F)ccc21 | 10.1021/jm0498203 | |||
| CHEMBL374585 | 136985 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 454 | 10 | 1 | 5 | 4.8 | CCOCCn1cc(C2CCN(CCOc3ccccc3C(=O)O)CC2)c2cc(F)ccc21 | 10.1021/jm0498203 | |||
| 44326564 | 207872 | 0 | None | - | 0 | Rat | 4.3 | pIC50 | = | 4.3 | Binding | ChEMBL | 531 | 12 | 6 | 6 | 1.6 | CC(C)CC(NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(=O)O)C(N)=O | 10.1021/jm00381a002 | |||
| CHEMBL96530 | 207872 | 0 | None | - | 0 | Rat | 4.3 | pIC50 | = | 4.3 | Binding | ChEMBL | 531 | 12 | 6 | 6 | 1.6 | CC(C)CC(NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(=O)O)C(N)=O | 10.1021/jm00381a002 | |||
| CHEMBL1790763 | 208905 | 0 | None | - | 0 | Rat | 4.3 | pIC50 | = | 4.3 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(=O)O)C(N)=O | 10.1021/jm00381a002 | |||||
| 2812 | 4779 | 101 | None | -33 | 34 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 344 | 4 | 0 | 2 | 5.4 | Clc1ccccc1C(c1ccccc1)(c1ccccc1)n1ccnc1 | nan | |||
| CHEMBL104 | 4779 | 101 | None | -33 | 34 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 344 | 4 | 0 | 2 | 5.4 | Clc1ccccc1C(c1ccccc1)(c1ccccc1)n1ccnc1 | nan | |||
| 10478188 | 122942 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 436 | 9 | 1 | 5 | 4.8 | CCOCCn1cc(C2CCN(Cc3ccc(OC)c(C(=O)O)c3)CC2)c2ccccc21 | 10.1021/jm0498203 | |||
| CHEMBL360712 | 122942 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 436 | 9 | 1 | 5 | 4.8 | CCOCCn1cc(C2CCN(Cc3ccc(OC)c(C(=O)O)c3)CC2)c2ccccc21 | 10.1021/jm0498203 | |||
| 1231 | 937 | 116 | None | -2 | 7 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 252 | 5 | 3 | 4 | 0.6 | N#CNC(=NC)NCCSCc1nc[nH]c1C | nan | |||
| 2756 | 937 | 116 | None | -2 | 7 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 252 | 5 | 3 | 4 | 0.6 | N#CNC(=NC)NCCSCc1nc[nH]c1C | nan | |||
| 645 | 937 | 116 | None | -2 | 7 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 252 | 5 | 3 | 4 | 0.6 | N#CNC(=NC)NCCSCc1nc[nH]c1C | nan | |||
| CHEMBL30 | 937 | 116 | None | -2 | 7 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 252 | 5 | 3 | 4 | 0.6 | N#CNC(=NC)NCCSCc1nc[nH]c1C | nan | |||
| DB00501 | 937 | 116 | None | -2 | 7 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 252 | 5 | 3 | 4 | 0.6 | N#CNC(=NC)NCCSCc1nc[nH]c1C | nan | |||
| 11363750 | 84630 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 484 | 8 | 1 | 4 | 5.5 | CCOCCn1cc(C2CCN(Cc3cc(C(=O)O)ccc3Br)CC2)c2ccccc21 | 10.1021/jm0498203 | |||
| CHEMBL222214 | 84630 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 484 | 8 | 1 | 4 | 5.5 | CCOCCn1cc(C2CCN(Cc3cc(C(=O)O)ccc3Br)CC2)c2ccccc21 | 10.1021/jm0498203 | |||
| 11247290 | 136703 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 424 | 8 | 1 | 4 | 4.9 | CCOCCn1cc(C2CCN(Cc3ccc(F)c(C(=O)O)c3)CC2)c2ccccc21 | 10.1021/jm0498203 | |||
| CHEMBL374059 | 136703 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 424 | 8 | 1 | 4 | 4.9 | CCOCCn1cc(C2CCN(Cc3ccc(F)c(C(=O)O)c3)CC2)c2ccccc21 | 10.1021/jm0498203 | |||
| 10273238 | 84754 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 414 | 6 | 1 | 4 | 5.4 | O=C(O)c1cccc(CN2CCC(c3cn(Cc4ccco4)c4ccccc34)CC2)c1 | 10.1021/jm0498203 | |||
| CHEMBL222985 | 84754 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 414 | 6 | 1 | 4 | 5.4 | O=C(O)c1cccc(CN2CCC(c3cn(Cc4ccco4)c4ccccc34)CC2)c1 | 10.1021/jm0498203 | |||
| 11351801 | 84349 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 466 | 11 | 1 | 6 | 4.6 | CCOCCn1cc(C2CCN(CCOc3ccccc3C(=O)O)CC2)c2cc(OC)ccc21 | 10.1021/jm0498203 | |||
| CHEMBL221716 | 84349 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 466 | 11 | 1 | 6 | 4.6 | CCOCCn1cc(C2CCN(CCOc3ccccc3C(=O)O)CC2)c2cc(OC)ccc21 | 10.1021/jm0498203 | |||
| 4189 | 206922 | 96 | None | -36 | 34 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 414 | 6 | 0 | 3 | 6.5 | Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1 | nan | |||
| CHEMBL1559 | 206922 | 96 | None | -36 | 34 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 414 | 6 | 0 | 3 | 6.5 | Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1 | nan | |||
| CHEMBL91 | 206922 | 96 | None | -36 | 34 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 414 | 6 | 0 | 3 | 6.5 | Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1 | nan | |||
| 9889248 | 84730 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 436 | 10 | 1 | 5 | 4.6 | CCOCCn1cc(C2CCN(CCOc3ccc(C(=O)O)cc3)CC2)c2ccccc21 | 10.1021/jm0498203 | |||
| CHEMBL222853 | 84730 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 436 | 10 | 1 | 5 | 4.6 | CCOCCn1cc(C2CCN(CCOc3ccc(C(=O)O)cc3)CC2)c2ccccc21 | 10.1021/jm0498203 | |||
| 4601 | 206747 | 35 | None | -7 | 16 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 269 | 6 | 0 | 2 | 3.7 | Cc1ccccc1C(OCCN(C)C)c1ccccc1 | nan | |||
| CHEMBL1201023 | 206747 | 35 | None | -7 | 16 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 269 | 6 | 0 | 2 | 3.7 | Cc1ccccc1C(OCCN(C)C)c1ccccc1 | nan | |||
| CHEMBL900 | 206747 | 35 | None | -7 | 16 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 269 | 6 | 0 | 2 | 3.7 | Cc1ccccc1C(OCCN(C)C)c1ccccc1 | nan | |||
| CHEMBL91752 | 215903 | 0 | None | - | 0 | Rat | 4.2 | pIC50 | = | 4.2 | Binding | ChEMBL | None | None | None | CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](C)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(=O)O)C(N)=O | 10.1021/jm00381a002 | |||||
| CHEMBL94448 | 215910 | 0 | None | - | 0 | Rat | 4.2 | pIC50 | = | 4.2 | Binding | ChEMBL | None | None | None | CC(C)C[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](C)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)O | 10.1021/jm00381a002 | |||||
| CHEMBL94902 | 215913 | 1 | None | - | 0 | Rat | 4.2 | pIC50 | = | 4.2 | Binding | ChEMBL | None | None | None | CC(C)C[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)O | 10.1021/jm00381a002 | |||||
| 180 | 401 | 56 | None | -1412 | 40 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | nan | |||
| 200 | 401 | 56 | None | -1412 | 40 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | nan | |||
| 2160 | 401 | 56 | None | -1412 | 40 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | nan | |||
| CHEMBL629 | 401 | 56 | None | -1412 | 40 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | nan | |||
| DB00321 | 401 | 56 | None | -1412 | 40 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | nan | |||
| 10907460 | 9828 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 521 | 11 | 1 | 3 | 5.8 | CCOc1ccc(CCNC(=O)N2CCN(CCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1 | 10.1021/jm010878g | |||
| CHEMBL113956 | 9828 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 521 | 11 | 1 | 3 | 5.8 | CCOc1ccc(CCNC(=O)N2CCN(CCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1 | 10.1021/jm010878g | |||
| 11340290 | 64364 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 466 | 11 | 1 | 6 | 4.6 | CCOCCn1cc(C2CCN(CCOc3cc(OC)ccc3C(=O)O)CC2)c2ccccc21 | 10.1021/jm0498203 | |||
| CHEMBL181278 | 64364 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 466 | 11 | 1 | 6 | 4.6 | CCOCCn1cc(C2CCN(CCOc3cc(OC)ccc3C(=O)O)CC2)c2ccccc21 | 10.1021/jm0498203 | |||
| 1231 | 937 | 116 | None | -2 | 7 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 252 | 5 | 3 | 4 | 0.6 | N#CNC(=NC)NCCSCc1nc[nH]c1C | 10.1021/jm701575k | |||
| 2756 | 937 | 116 | None | -2 | 7 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 252 | 5 | 3 | 4 | 0.6 | N#CNC(=NC)NCCSCc1nc[nH]c1C | 10.1021/jm701575k | |||
| 645 | 937 | 116 | None | -2 | 7 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 252 | 5 | 3 | 4 | 0.6 | N#CNC(=NC)NCCSCc1nc[nH]c1C | 10.1021/jm701575k | |||
| CHEMBL30 | 937 | 116 | None | -2 | 7 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 252 | 5 | 3 | 4 | 0.6 | N#CNC(=NC)NCCSCc1nc[nH]c1C | 10.1021/jm701575k | |||
| DB00501 | 937 | 116 | None | -2 | 7 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 252 | 5 | 3 | 4 | 0.6 | N#CNC(=NC)NCCSCc1nc[nH]c1C | 10.1021/jm701575k | |||
| 1210 | 918 | 51 | None | -446 | 21 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CC[C@H](c1ccccn1)c1ccc(cc1)Cl)C | nan | |||
| 1213 | 918 | 51 | None | -446 | 21 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CC[C@H](c1ccccn1)c1ccc(cc1)Cl)C | nan | |||
| 2725 | 918 | 51 | None | -446 | 21 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CC[C@H](c1ccccn1)c1ccc(cc1)Cl)C | nan | |||
| 33036 | 918 | 51 | None | -446 | 21 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CC[C@H](c1ccccn1)c1ccc(cc1)Cl)C | nan | |||
| 4411 | 918 | 51 | None | -446 | 21 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CC[C@H](c1ccccn1)c1ccc(cc1)Cl)C | nan | |||
| 616 | 918 | 51 | None | -446 | 21 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CC[C@H](c1ccccn1)c1ccc(cc1)Cl)C | nan | |||
| 6976 | 918 | 51 | None | -446 | 21 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CC[C@H](c1ccccn1)c1ccc(cc1)Cl)C | nan | |||
| 716121 | 918 | 51 | None | -446 | 21 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CC[C@H](c1ccccn1)c1ccc(cc1)Cl)C | nan | |||
| CHEMBL1201353 | 918 | 51 | None | -446 | 21 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CC[C@H](c1ccccn1)c1ccc(cc1)Cl)C | nan | |||
| CHEMBL1554789 | 918 | 51 | None | -446 | 21 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CC[C@H](c1ccccn1)c1ccc(cc1)Cl)C | nan | |||
| CHEMBL505 | 918 | 51 | None | -446 | 21 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CC[C@H](c1ccccn1)c1ccc(cc1)Cl)C | nan | |||
| DB01114 | 918 | 51 | None | -446 | 21 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CC[C@H](c1ccccn1)c1ccc(cc1)Cl)C | nan | |||
| DB13679 | 918 | 51 | None | -446 | 21 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CC[C@H](c1ccccn1)c1ccc(cc1)Cl)C | nan | |||
| 11328514 | 137858 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 454 | 10 | 1 | 5 | 4.8 | CCOCCn1cc(C2CCN(CCOc3cccc(F)c3C(=O)O)CC2)c2ccccc21 | 10.1021/jm0498203 | |||
| CHEMBL376025 | 137858 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 454 | 10 | 1 | 5 | 4.8 | CCOCCn1cc(C2CCN(CCOc3cccc(F)c3C(=O)O)CC2)c2ccccc21 | 10.1021/jm0498203 | |||
| 9804849 | 67456 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 472 | 8 | 1 | 5 | 5.1 | Cc1cc(N(C)CCN(C)C)nc2ccc(NC(=O)/C=C/c3ccc(OC(F)(F)F)cc3)cc12 | 10.1021/jm050103y | |||
| CHEMBL189118 | 67456 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 472 | 8 | 1 | 5 | 5.1 | Cc1cc(N(C)CCN(C)C)nc2ccc(NC(=O)/C=C/c3ccc(OC(F)(F)F)cc3)cc12 | 10.1021/jm050103y | |||
| 10139592 | 85004 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 462 | 8 | 1 | 5 | 5.4 | O=C(O)c1ccccc1OCCN1CCC(c2cn(Cc3ccco3)c3cc(F)ccc23)CC1 | 10.1021/jm0498203 | |||
| CHEMBL223837 | 85004 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 462 | 8 | 1 | 5 | 5.4 | O=C(O)c1ccccc1OCCN1CCC(c2cn(Cc3ccco3)c3cc(F)ccc23)CC1 | 10.1021/jm0498203 | |||
| 11385692 | 137049 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 462 | 8 | 1 | 5 | 5.4 | O=C(O)c1ccccc1OCCN1CCC(c2cn(Cc3ccoc3)c3cc(F)ccc23)CC1 | 10.1021/jm0498203 | |||
| CHEMBL374675 | 137049 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 462 | 8 | 1 | 5 | 5.4 | O=C(O)c1ccccc1OCCN1CCC(c2cn(Cc3ccoc3)c3cc(F)ccc23)CC1 | 10.1021/jm0498203 | |||
| 9802248 | 166243 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 420 | 9 | 1 | 4 | 5.4 | CCCCn1cc(C2CCN(CCOc3ccccc3C(=O)O)CC2)c2ccccc21 | 10.1021/jm0498203 | |||
| CHEMBL426786 | 166243 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 420 | 9 | 1 | 4 | 5.4 | CCCCn1cc(C2CCN(CCOc3ccccc3C(=O)O)CC2)c2ccccc21 | 10.1021/jm0498203 | |||
| 1016 | 3747 | 78 | None | -41 | 35 | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 371 | 8 | 0 | 2 | 6.0 | CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1 | nan | |||
| 2561 | 3747 | 78 | None | -41 | 35 | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 371 | 8 | 0 | 2 | 6.0 | CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1 | nan | |||
| 2733526 | 3747 | 78 | None | -41 | 35 | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 371 | 8 | 0 | 2 | 6.0 | CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1 | nan | |||
| 5384 | 3747 | 78 | None | -41 | 35 | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 371 | 8 | 0 | 2 | 6.0 | CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1 | nan | |||
| CHEMBL83 | 3747 | 78 | None | -41 | 35 | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 371 | 8 | 0 | 2 | 6.0 | CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1 | nan | |||
| DB00675 | 3747 | 78 | None | -41 | 35 | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 371 | 8 | 0 | 2 | 6.0 | CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1 | nan | |||
| 100 | 3805 | 58 | None | -46 | 55 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | nan | |||
| 2637 | 3805 | 58 | None | -46 | 55 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | nan | |||
| 5452 | 3805 | 58 | None | -46 | 55 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | nan | |||
| CHEMBL479 | 3805 | 58 | None | -46 | 55 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | nan | |||
| DB00679 | 3805 | 58 | None | -46 | 55 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | nan | |||
| 11202401 | 137107 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 478 | 11 | 1 | 6 | 4.8 | CCOCCn1cc(C2CCN(CCOc3ccc(C(C)=O)cc3C(=O)O)CC2)c2ccccc21 | 10.1021/jm0498203 | |||
| CHEMBL374755 | 137107 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 478 | 11 | 1 | 6 | 4.8 | CCOCCn1cc(C2CCN(CCOc3ccc(C(C)=O)cc3C(=O)O)CC2)c2ccccc21 | 10.1021/jm0498203 | |||
| 133 | 2496 | 52 | None | -141 | 42 | Human | 6.0 | pIC50 | = | 6.0 | 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 | -141 | 42 | Human | 6.0 | pIC50 | = | 6.0 | 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 | -141 | 42 | Human | 6.0 | pIC50 | = | 6.0 | 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 | -141 | 42 | Human | 6.0 | pIC50 | = | 6.0 | 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 | -141 | 42 | Human | 6.0 | pIC50 | = | 6.0 | 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 | |||
| CHEMBL5087637 | 215555 | 0 | None | - | 1 | Human | 6.0 | pKd | = | 6 | Binding | ChEMBL | None | None | None | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NCCCCCCNC(=O)CCCCCN1/C(=C/C=C/C=C/C2=[N+](CCCCS(=O)(=O)[O-])c3ccccc3C2(C)C)c2ccccc2C1(C)C | 10.1016/j.bmcl.2021.128388 | |||||
| CHEMBL5095891 | 215555 | 0 | None | - | 1 | Human | 6.0 | pKd | = | 6 | Binding | ChEMBL | None | None | None | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NCCCCCCNC(=O)CCCCCN1/C(=C/C=C/C=C/C2=[N+](CCCCS(=O)(=O)[O-])c3ccccc3C2(C)C)c2ccccc2C1(C)C | 10.1016/j.bmcl.2021.128388 | |||||
| CHEMBL5093461 | 215553 | 0 | None | - | 1 | Human | 7.0 | pKd | = | 7.0 | Binding | ChEMBL | None | None | None | CC1(C)C(/C=C/C=C/C=C2\c3ccccc3C(C)(C)N2CCCCCC(=O)NCCCCCCCCNC(=O)/N=C(\N)NCCCc2nnc(N)s2)=[N+](CCCCS(=O)(=O)[O-])c2ccccc21 | 10.1016/j.bmcl.2021.128388 | |||||
| CHEMBL5095884 | 215553 | 0 | None | - | 1 | Human | 7.0 | pKd | = | 7.0 | Binding | ChEMBL | None | None | None | CC1(C)C(/C=C/C=C/C=C2\c3ccccc3C(C)(C)N2CCCCCC(=O)NCCCCCCCCNC(=O)/N=C(\N)NCCCc2nnc(N)s2)=[N+](CCCCS(=O)(=O)[O-])c2ccccc21 | 10.1016/j.bmcl.2021.128388 | |||||
| 126688 | 404 | 33 | None | -2 | 3 | Rat | 4.9 | pKd | = | 4.9 | Binding | ChEMBL | 157 | 2 | 2 | 4 | 0.5 | NCCc1sc(nc1C)N | 10.1016/S0960-894X(01)80533-3 | |||
| 4025 | 404 | 33 | None | -2 | 3 | Rat | 4.9 | pKd | = | 4.9 | Binding | ChEMBL | 157 | 2 | 2 | 4 | 0.5 | NCCc1sc(nc1C)N | 10.1016/S0960-894X(01)80533-3 | |||
| CHEMBL293762 | 404 | 33 | None | -2 | 3 | Rat | 4.9 | pKd | = | 4.9 | Binding | ChEMBL | 157 | 2 | 2 | 4 | 0.5 | NCCc1sc(nc1C)N | 10.1016/S0960-894X(01)80533-3 | |||
| 1204 | 1932 | 119 | None | -173 | 24 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.1c00692 | |||
| 1247 | 1932 | 119 | None | -173 | 24 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.1c00692 | |||
| 1375 | 1932 | 119 | None | -173 | 24 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.1c00692 | |||
| 774 | 1932 | 119 | None | -173 | 24 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.1c00692 | |||
| CHEMBL90 | 1932 | 119 | None | -173 | 24 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.1c00692 | |||
| DB05381 | 1932 | 119 | None | -173 | 24 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.1c00692 | |||
| 119570 | 3159 | 96 | None | -281 | 40 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 211 | 3 | 2 | 4 | 1.6 | CCCN[C@H]1CCc2c(C1)sc(n2)N | 10.1021/acs.jmedchem.1c00692 | |||
| 2233 | 3159 | 96 | None | -281 | 40 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 211 | 3 | 2 | 4 | 1.6 | CCCN[C@H]1CCc2c(C1)sc(n2)N | 10.1021/acs.jmedchem.1c00692 | |||
| 953 | 3159 | 96 | None | -281 | 40 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 211 | 3 | 2 | 4 | 1.6 | CCCN[C@H]1CCc2c(C1)sc(n2)N | 10.1021/acs.jmedchem.1c00692 | |||
| CHEMBL301265 | 3159 | 96 | None | -281 | 40 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 211 | 3 | 2 | 4 | 1.6 | CCCN[C@H]1CCc2c(C1)sc(n2)N | 10.1021/acs.jmedchem.1c00692 | |||
| DB00413 | 3159 | 96 | None | -281 | 40 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 211 | 3 | 2 | 4 | 1.6 | CCCN[C@H]1CCc2c(C1)sc(n2)N | 10.1021/acs.jmedchem.1c00692 | |||
| 168268716 | 192762 | 0 | None | 1 | 4 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 372 | 3 | 4 | 4 | 3.5 | Cc1nc(N)sc1-c1ccc(N/C(N)=N/C(=O)NC2CCCCC2)cc1 | 10.1021/acs.jmedchem.1c00692 | |||
| CHEMBL5170276 | 192762 | 0 | None | 1 | 4 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 372 | 3 | 4 | 4 | 3.5 | Cc1nc(N)sc1-c1ccc(N/C(N)=N/C(=O)NC2CCCCC2)cc1 | 10.1021/acs.jmedchem.1c00692 | |||
| CHEMBL5221176 | 192762 | 0 | None | 1 | 4 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 372 | 3 | 4 | 4 | 3.5 | Cc1nc(N)sc1-c1ccc(N/C(N)=N/C(=O)NC2CCCCC2)cc1 | 10.1021/acs.jmedchem.1c00692 | |||
| 168268680 | 192766 | 0 | None | 1 | 4 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 662 | 11 | 8 | 8 | 4.8 | Cc1nc(N)sc1-c1ccc(N/C(N)=N/C(=O)NCCCCCCNC(=O)/N=C(\N)Nc2ccc(-c3sc(N)nc3C)cc2)cc1 | 10.1021/acs.jmedchem.1c00692 | |||
| CHEMBL5172675 | 192766 | 0 | None | 1 | 4 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 662 | 11 | 8 | 8 | 4.8 | Cc1nc(N)sc1-c1ccc(N/C(N)=N/C(=O)NCCCCCCNC(=O)/N=C(\N)Nc2ccc(-c3sc(N)nc3C)cc2)cc1 | 10.1021/acs.jmedchem.1c00692 | |||
| CHEMBL5221210 | 192766 | 0 | None | 1 | 4 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 662 | 11 | 8 | 8 | 4.8 | Cc1nc(N)sc1-c1ccc(N/C(N)=N/C(=O)NCCCCCCNC(=O)/N=C(\N)Nc2ccc(-c3sc(N)nc3C)cc2)cc1 | 10.1021/acs.jmedchem.1c00692 | |||
| 168268827 | 192779 | 0 | None | 3 | 4 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 450 | 8 | 4 | 4 | 4.8 | Cc1nc(N)sc1-c1cccc(N/C(N)=N/C(=O)NCC(C)CCCc2ccccc2)c1 | 10.1021/acs.jmedchem.1c00692 | |||
| CHEMBL5179906 | 192779 | 0 | None | 3 | 4 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 450 | 8 | 4 | 4 | 4.8 | Cc1nc(N)sc1-c1cccc(N/C(N)=N/C(=O)NCC(C)CCCc2ccccc2)c1 | 10.1021/acs.jmedchem.1c00692 | |||
| CHEMBL5221314 | 192779 | 0 | None | 3 | 4 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 450 | 8 | 4 | 4 | 4.8 | Cc1nc(N)sc1-c1cccc(N/C(N)=N/C(=O)NCC(C)CCCc2ccccc2)c1 | 10.1021/acs.jmedchem.1c00692 | |||
| 168268853 | 192785 | 0 | None | -2 | 6 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 389 | 8 | 4 | 5 | 1.9 | Cc1ccc(CC(C)CNC(=O)/N=C(\N)NCCCc2nnc(N)s2)cc1 | 10.1021/acs.jmedchem.1c00692 | |||
| CHEMBL5180504 | 192785 | 0 | None | -2 | 6 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 389 | 8 | 4 | 5 | 1.9 | Cc1ccc(CC(C)CNC(=O)/N=C(\N)NCCCc2nnc(N)s2)cc1 | 10.1021/acs.jmedchem.1c00692 | |||
| CHEMBL5221353 | 192785 | 0 | None | -2 | 6 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 389 | 8 | 4 | 5 | 1.9 | Cc1ccc(CC(C)CNC(=O)/N=C(\N)NCCCc2nnc(N)s2)cc1 | 10.1021/acs.jmedchem.1c00692 | |||
| 168273471 | 192801 | 0 | None | 12 | 4 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 596 | 17 | 8 | 10 | 0.7 | N/C(=N\C(=O)NCCCCCCCCNC(=O)/N=C(\N)NCCCc1nnc(N)s1)NCCCc1nnc(N)s1 | 10.1021/acs.jmedchem.1c00692 | |||
| CHEMBL5173079 | 192801 | 0 | None | 12 | 4 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 596 | 17 | 8 | 10 | 0.7 | N/C(=N\C(=O)NCCCCCCCCNC(=O)/N=C(\N)NCCCc1nnc(N)s1)NCCCc1nnc(N)s1 | 10.1021/acs.jmedchem.1c00692 | |||
| CHEMBL5221433 | 192801 | 0 | None | 12 | 4 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 596 | 17 | 8 | 10 | 0.7 | N/C(=N\C(=O)NCCCCCCCCNC(=O)/N=C(\N)NCCCc1nnc(N)s1)NCCCc1nnc(N)s1 | 10.1021/acs.jmedchem.1c00692 | |||
| 168273549 | 192803 | 0 | None | 1 | 4 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 436 | 6 | 4 | 4 | 4.3 | Cc1ccc(CC(C)CNC(=O)/N=C(\N)Nc2ccc(-c3sc(N)nc3C)cc2)cc1 | 10.1021/acs.jmedchem.1c00692 | |||
| CHEMBL5174342 | 192803 | 0 | None | 1 | 4 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 436 | 6 | 4 | 4 | 4.3 | Cc1ccc(CC(C)CNC(=O)/N=C(\N)Nc2ccc(-c3sc(N)nc3C)cc2)cc1 | 10.1021/acs.jmedchem.1c00692 | |||
| CHEMBL5221438 | 192803 | 0 | None | 1 | 4 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 436 | 6 | 4 | 4 | 4.3 | Cc1ccc(CC(C)CNC(=O)/N=C(\N)Nc2ccc(-c3sc(N)nc3C)cc2)cc1 | 10.1021/acs.jmedchem.1c00692 | |||
| 168273640 | 192805 | 0 | None | -6 | 6 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 568 | 15 | 8 | 10 | -0.1 | N/C(=N\C(=O)NCCCCCCNC(=O)/N=C(\N)NCCCc1nnc(N)s1)NCCCc1nnc(N)s1 | 10.1021/acs.jmedchem.1c00692 | |||
| CHEMBL5176229 | 192805 | 0 | None | -6 | 6 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 568 | 15 | 8 | 10 | -0.1 | N/C(=N\C(=O)NCCCCCCNC(=O)/N=C(\N)NCCCc1nnc(N)s1)NCCCc1nnc(N)s1 | 10.1021/acs.jmedchem.1c00692 | |||
| CHEMBL5221444 | 192805 | 0 | None | -6 | 6 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 568 | 15 | 8 | 10 | -0.1 | N/C(=N\C(=O)NCCCCCCNC(=O)/N=C(\N)NCCCc1nnc(N)s1)NCCCc1nnc(N)s1 | 10.1021/acs.jmedchem.1c00692 | |||
| 168273745 | 192808 | 0 | None | -13 | 6 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 332 | 6 | 4 | 4 | 1.5 | N/C(=N\C(=O)NCc1ccccc1)NCCCc1cnc(N)s1 | 10.1021/acs.jmedchem.1c00692 | |||
| CHEMBL5178472 | 192808 | 0 | None | -13 | 6 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 332 | 6 | 4 | 4 | 1.5 | N/C(=N\C(=O)NCc1ccccc1)NCCCc1cnc(N)s1 | 10.1021/acs.jmedchem.1c00692 | |||
| CHEMBL5221451 | 192808 | 0 | None | -13 | 6 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 332 | 6 | 4 | 4 | 1.5 | N/C(=N\C(=O)NCc1ccccc1)NCCCc1cnc(N)s1 | 10.1021/acs.jmedchem.1c00692 | |||
| 168274129 | 192809 | 0 | None | -6 | 4 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 370 | 12 | 5 | 6 | 1.0 | NCCCCCCCCNC(=O)/N=C(\N)NCCCc1nnc(N)s1 | 10.1021/acs.jmedchem.1c00692 | |||
| CHEMBL5176780 | 192809 | 0 | None | -6 | 4 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 370 | 12 | 5 | 6 | 1.0 | NCCCCCCCCNC(=O)/N=C(\N)NCCCc1nnc(N)s1 | 10.1021/acs.jmedchem.1c00692 | |||
| CHEMBL5221468 | 192809 | 0 | None | -6 | 4 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 370 | 12 | 5 | 6 | 1.0 | NCCCCCCCCNC(=O)/N=C(\N)NCCCc1nnc(N)s1 | 10.1021/acs.jmedchem.1c00692 | |||
| 168275750 | 192826 | 0 | None | -87 | 4 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 332 | 6 | 3 | 4 | 1.6 | Cc1nnc(CCCN/C(N)=N/C(=O)NCc2ccccc2)s1 | 10.1021/acs.jmedchem.1c00692 | |||
| CHEMBL5175558 | 192826 | 0 | None | -87 | 4 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 332 | 6 | 3 | 4 | 1.6 | Cc1nnc(CCCN/C(N)=N/C(=O)NCc2ccccc2)s1 | 10.1021/acs.jmedchem.1c00692 | |||
| CHEMBL5221581 | 192826 | 0 | None | -87 | 4 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 332 | 6 | 3 | 4 | 1.6 | Cc1nnc(CCCN/C(N)=N/C(=O)NCc2ccccc2)s1 | 10.1021/acs.jmedchem.1c00692 | |||
| 168276867 | 192835 | 0 | None | -1 | 4 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 662 | 11 | 8 | 8 | 4.8 | Cc1nc(N)sc1-c1cccc(N/C(N)=N/C(=O)NCCCCCCNC(=O)/N=C(\N)Nc2cccc(-c3sc(N)nc3C)c2)c1 | 10.1021/acs.jmedchem.1c00692 | |||
| CHEMBL5174278 | 192835 | 0 | None | -1 | 4 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 662 | 11 | 8 | 8 | 4.8 | Cc1nc(N)sc1-c1cccc(N/C(N)=N/C(=O)NCCCCCCNC(=O)/N=C(\N)Nc2cccc(-c3sc(N)nc3C)c2)c1 | 10.1021/acs.jmedchem.1c00692 | |||
| CHEMBL5221653 | 192835 | 0 | None | -1 | 4 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 662 | 11 | 8 | 8 | 4.8 | Cc1nc(N)sc1-c1cccc(N/C(N)=N/C(=O)NCCCCCCNC(=O)/N=C(\N)Nc2cccc(-c3sc(N)nc3C)c2)c1 | 10.1021/acs.jmedchem.1c00692 | |||
| 168277996 | 192846 | 0 | None | -20 | 4 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 380 | 4 | 4 | 4 | 3.3 | Cc1nc(N)sc1-c1cccc(N/C(N)=N/C(=O)NCc2ccccc2)c1 | 10.1021/acs.jmedchem.1c00692 | |||
| CHEMBL5173373 | 192846 | 0 | None | -20 | 4 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 380 | 4 | 4 | 4 | 3.3 | Cc1nc(N)sc1-c1cccc(N/C(N)=N/C(=O)NCc2ccccc2)c1 | 10.1021/acs.jmedchem.1c00692 | |||
| CHEMBL5221736 | 192846 | 0 | None | -20 | 4 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 380 | 4 | 4 | 4 | 3.3 | Cc1nc(N)sc1-c1cccc(N/C(N)=N/C(=O)NCc2ccccc2)c1 | 10.1021/acs.jmedchem.1c00692 | |||
| 168278471 | 192848 | 0 | None | -18 | 6 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 312 | 8 | 4 | 4 | 1.5 | CCCCCNC(=O)/N=C(\N)NCCCc1cnc(N)s1 | 10.1021/acs.jmedchem.1c00692 | |||
| CHEMBL5183205 | 192848 | 0 | None | -18 | 6 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 312 | 8 | 4 | 4 | 1.5 | CCCCCNC(=O)/N=C(\N)NCCCc1cnc(N)s1 | 10.1021/acs.jmedchem.1c00692 | |||
| CHEMBL5221757 | 192848 | 0 | None | -18 | 6 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 312 | 8 | 4 | 4 | 1.5 | CCCCCNC(=O)/N=C(\N)NCCCc1cnc(N)s1 | 10.1021/acs.jmedchem.1c00692 | |||
| 168278543 | 192851 | 0 | None | 2 | 4 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 358 | 4 | 4 | 4 | 1.6 | N/C(=N\C(=O)NCc1ccccc1)NCC1CCc2nc(N)sc2C1 | 10.1021/acs.jmedchem.1c00692 | |||
| CHEMBL5184846 | 192851 | 0 | None | 2 | 4 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 358 | 4 | 4 | 4 | 1.6 | N/C(=N\C(=O)NCc1ccccc1)NCC1CCc2nc(N)sc2C1 | 10.1021/acs.jmedchem.1c00692 | |||
| CHEMBL5221764 | 192851 | 0 | None | 2 | 4 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 358 | 4 | 4 | 4 | 1.6 | N/C(=N\C(=O)NCc1ccccc1)NCC1CCc2nc(N)sc2C1 | 10.1021/acs.jmedchem.1c00692 | |||
| 168280339 | 192865 | 0 | None | -52 | 4 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 372 | 8 | 3 | 5 | 1.1 | C[C@@H](NC(=O)/N=C(\N)NCCCn1cc(CN(C)C)nn1)c1ccccc1 | 10.1021/acs.jmedchem.1c00692 | |||
| CHEMBL5188592 | 192865 | 0 | None | -52 | 4 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 372 | 8 | 3 | 5 | 1.1 | C[C@@H](NC(=O)/N=C(\N)NCCCn1cc(CN(C)C)nn1)c1ccccc1 | 10.1021/acs.jmedchem.1c00692 | |||
| CHEMBL5221885 | 192865 | 0 | None | -52 | 4 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 372 | 8 | 3 | 5 | 1.1 | C[C@@H](NC(=O)/N=C(\N)NCCCn1cc(CN(C)C)nn1)c1ccccc1 | 10.1021/acs.jmedchem.1c00692 | |||
| 168281536 | 192881 | 0 | None | -9 | 4 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 369 | 12 | 4 | 5 | 1.7 | Cc1nnc(CCCN/C(N)=N/C(=O)NCCCCCCCCN)s1 | 10.1021/acs.jmedchem.1c00692 | |||
| CHEMBL5189006 | 192881 | 0 | None | -9 | 4 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 369 | 12 | 4 | 5 | 1.7 | Cc1nnc(CCCN/C(N)=N/C(=O)NCCCCCCCCN)s1 | 10.1021/acs.jmedchem.1c00692 | |||
| CHEMBL5221966 | 192881 | 0 | None | -9 | 4 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 369 | 12 | 4 | 5 | 1.7 | Cc1nnc(CCCN/C(N)=N/C(=O)NCCCCCCCCN)s1 | 10.1021/acs.jmedchem.1c00692 | |||
| 168281746 | 192882 | 0 | None | -676 | 6 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 365 | 6 | 4 | 5 | 1.6 | CC(NC(=O)/N=C(\N)NCCCc1nnc(N)s1)c1cccc(F)c1 | 10.1021/acs.jmedchem.1c00692 | |||
| CHEMBL5184911 | 192882 | 0 | None | -676 | 6 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 365 | 6 | 4 | 5 | 1.6 | CC(NC(=O)/N=C(\N)NCCCc1nnc(N)s1)c1cccc(F)c1 | 10.1021/acs.jmedchem.1c00692 | |||
| CHEMBL5221974 | 192882 | 0 | None | -676 | 6 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 365 | 6 | 4 | 5 | 1.6 | CC(NC(=O)/N=C(\N)NCCCc1nnc(N)s1)c1cccc(F)c1 | 10.1021/acs.jmedchem.1c00692 | |||
| 168283097 | 192893 | 0 | None | -22 | 4 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 311 | 9 | 4 | 5 | 0.8 | CCCCCCNC(=O)/N=C(\N)NCCCc1nnc(N)o1 | 10.1021/acs.jmedchem.1c00692 | |||
| CHEMBL5186770 | 192893 | 0 | None | -22 | 4 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 311 | 9 | 4 | 5 | 0.8 | CCCCCCNC(=O)/N=C(\N)NCCCc1nnc(N)o1 | 10.1021/acs.jmedchem.1c00692 | |||
| CHEMBL5222043 | 192893 | 0 | None | -22 | 4 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 311 | 9 | 4 | 5 | 0.8 | CCCCCCNC(=O)/N=C(\N)NCCCc1nnc(N)o1 | 10.1021/acs.jmedchem.1c00692 | |||
| 168283321 | 192895 | 0 | None | 2 | 4 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 364 | 7 | 4 | 4 | 2.3 | Cc1nc(N)oc1CCCN/C(N)=N/C(=O)NCC(C)C1CCCCC1 | 10.1021/acs.jmedchem.1c00692 | |||
| CHEMBL5183015 | 192895 | 0 | None | 2 | 4 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 364 | 7 | 4 | 4 | 2.3 | Cc1nc(N)oc1CCCN/C(N)=N/C(=O)NCC(C)C1CCCCC1 | 10.1021/acs.jmedchem.1c00692 | |||
| CHEMBL5222057 | 192895 | 0 | None | 2 | 4 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 364 | 7 | 4 | 4 | 2.3 | Cc1nc(N)oc1CCCN/C(N)=N/C(=O)NCC(C)C1CCCCC1 | 10.1021/acs.jmedchem.1c00692 | |||
| 168283536 | 192900 | 0 | None | -53 | 4 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 312 | 8 | 3 | 4 | 1.6 | CCCCCNC(=O)/N=C(/N)NCCCc1nnc(C)s1 | 10.1021/acs.jmedchem.1c00692 | |||
| CHEMBL5187758 | 192900 | 0 | None | -53 | 4 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 312 | 8 | 3 | 4 | 1.6 | CCCCCNC(=O)/N=C(/N)NCCCc1nnc(C)s1 | 10.1021/acs.jmedchem.1c00692 | |||
| CHEMBL5222074 | 192900 | 0 | None | -53 | 4 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 312 | 8 | 3 | 4 | 1.6 | CCCCCNC(=O)/N=C(/N)NCCCc1nnc(C)s1 | 10.1021/acs.jmedchem.1c00692 | |||
| 168284289 | 192906 | 0 | None | 1 | 4 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 428 | 8 | 4 | 4 | 3.1 | CC(CCCc1ccccc1)CNC(=O)/N=C(\N)NCC1CCc2nc(N)sc2C1 | 10.1021/acs.jmedchem.1c00692 | |||
| CHEMBL5194860 | 192906 | 0 | None | 1 | 4 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 428 | 8 | 4 | 4 | 3.1 | CC(CCCc1ccccc1)CNC(=O)/N=C(\N)NCC1CCc2nc(N)sc2C1 | 10.1021/acs.jmedchem.1c00692 | |||
| CHEMBL5222123 | 192906 | 0 | None | 1 | 4 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 428 | 8 | 4 | 4 | 3.1 | CC(CCCc1ccccc1)CNC(=O)/N=C(\N)NCC1CCc2nc(N)sc2C1 | 10.1021/acs.jmedchem.1c00692 | |||
| 168284480 | 192910 | 0 | None | -22 | 4 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 330 | 6 | 4 | 4 | 1.3 | Cc1nc(N)oc1CCCN/C(N)=N/C(=O)NCc1ccccc1 | 10.1021/acs.jmedchem.1c00692 | |||
| CHEMBL5197548 | 192910 | 0 | None | -22 | 4 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 330 | 6 | 4 | 4 | 1.3 | Cc1nc(N)oc1CCCN/C(N)=N/C(=O)NCc1ccccc1 | 10.1021/acs.jmedchem.1c00692 | |||
| CHEMBL5222137 | 192910 | 0 | None | -22 | 4 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 330 | 6 | 4 | 4 | 1.3 | Cc1nc(N)oc1CCCN/C(N)=N/C(=O)NCc1ccccc1 | 10.1021/acs.jmedchem.1c00692 | |||
| 168286141 | 192924 | 0 | None | 2 | 4 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 450 | 8 | 4 | 4 | 4.8 | Cc1nc(N)sc1-c1ccc(N/C(N)=N/C(=O)NCC(C)CCCc2ccccc2)cc1 | 10.1021/acs.jmedchem.1c00692 | |||
| CHEMBL5192993 | 192924 | 0 | None | 2 | 4 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 450 | 8 | 4 | 4 | 4.8 | Cc1nc(N)sc1-c1ccc(N/C(N)=N/C(=O)NCC(C)CCCc2ccccc2)cc1 | 10.1021/acs.jmedchem.1c00692 | |||
| CHEMBL5222231 | 192924 | 0 | None | 2 | 4 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 450 | 8 | 4 | 4 | 4.8 | Cc1nc(N)sc1-c1ccc(N/C(N)=N/C(=O)NCC(C)CCCc2ccccc2)cc1 | 10.1021/acs.jmedchem.1c00692 | |||
| 168286426 | 192926 | 0 | None | -5 | 6 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 403 | 10 | 4 | 5 | 2.3 | CC(CCCc1ccccc1)CNC(=O)/N=C(\N)NCCCc1nnc(N)s1 | 10.1021/acs.jmedchem.1c00692 | |||
| CHEMBL5198795 | 192926 | 0 | None | -5 | 6 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 403 | 10 | 4 | 5 | 2.3 | CC(CCCc1ccccc1)CNC(=O)/N=C(\N)NCCCc1nnc(N)s1 | 10.1021/acs.jmedchem.1c00692 | |||
| CHEMBL5222241 | 192926 | 0 | None | -5 | 6 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 403 | 10 | 4 | 5 | 2.3 | CC(CCCc1ccccc1)CNC(=O)/N=C(\N)NCCCc1nnc(N)s1 | 10.1021/acs.jmedchem.1c00692 | |||
| 168290235 | 192968 | 0 | None | -1737 | 20 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 315 | 6 | 4 | 3 | 1.1 | C[C@@H](NC(=O)/N=C(\N)NCCCc1ncn[nH]1)c1ccccc1 | 10.1021/acs.jmedchem.1c00692 | |||
| CHEMBL5201074 | 192968 | 0 | None | -1737 | 20 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 315 | 6 | 4 | 3 | 1.1 | C[C@@H](NC(=O)/N=C(\N)NCCCc1ncn[nH]1)c1ccccc1 | 10.1021/acs.jmedchem.1c00692 | |||
| CHEMBL5222491 | 192968 | 0 | None | -1737 | 20 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 315 | 6 | 4 | 3 | 1.1 | C[C@@H](NC(=O)/N=C(\N)NCCCc1ncn[nH]1)c1ccccc1 | 10.1021/acs.jmedchem.1c00692 | |||
| 168290815 | 192973 | 0 | None | -537 | 6 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 327 | 9 | 4 | 5 | 1.2 | CCCCCCNC(=O)/N=C(\N)NCCCc1nnc(N)s1 | 10.1021/acs.jmedchem.1c00692 | |||
| CHEMBL5200771 | 192973 | 0 | None | -537 | 6 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 327 | 9 | 4 | 5 | 1.2 | CCCCCCNC(=O)/N=C(\N)NCCCc1nnc(N)s1 | 10.1021/acs.jmedchem.1c00692 | |||
| CHEMBL5222529 | 192973 | 0 | None | -537 | 6 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 327 | 9 | 4 | 5 | 1.2 | CCCCCCNC(=O)/N=C(\N)NCCCc1nnc(N)s1 | 10.1021/acs.jmedchem.1c00692 | |||
| 168291233 | 192979 | 0 | None | -5 | 4 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 373 | 8 | 4 | 5 | 1.4 | Cc1ccc(CC(C)CNC(=O)/N=C(\N)NCCCc2nnc(N)o2)cc1 | 10.1021/acs.jmedchem.1c00692 | |||
| CHEMBL5200106 | 192979 | 0 | None | -5 | 4 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 373 | 8 | 4 | 5 | 1.4 | Cc1ccc(CC(C)CNC(=O)/N=C(\N)NCCCc2nnc(N)o2)cc1 | 10.1021/acs.jmedchem.1c00692 | |||
| CHEMBL5222556 | 192979 | 0 | None | -5 | 4 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 373 | 8 | 4 | 5 | 1.4 | Cc1ccc(CC(C)CNC(=O)/N=C(\N)NCCCc2nnc(N)o2)cc1 | 10.1021/acs.jmedchem.1c00692 | |||
| 168292954 | 192997 | 0 | None | -11 | 6 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 388 | 8 | 4 | 4 | 2.5 | Cc1ccc(CC(C)CNC(=O)/N=C(\N)NCCCc2cnc(N)s2)cc1 | 10.1021/acs.jmedchem.1c00692 | |||
| CHEMBL5202592 | 192997 | 0 | None | -11 | 6 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 388 | 8 | 4 | 4 | 2.5 | Cc1ccc(CC(C)CNC(=O)/N=C(\N)NCCCc2cnc(N)s2)cc1 | 10.1021/acs.jmedchem.1c00692 | |||
| CHEMBL5222660 | 192997 | 0 | None | -11 | 6 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 388 | 8 | 4 | 4 | 2.5 | Cc1ccc(CC(C)CNC(=O)/N=C(\N)NCCCc2cnc(N)s2)cc1 | 10.1021/acs.jmedchem.1c00692 | |||
| 168294161 | 193006 | 0 | None | 3 | 4 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 360 | 6 | 4 | 4 | 3.3 | CCCCCNC(=O)/N=C(\N)Nc1cccc(-c2sc(N)nc2C)c1 | 10.1021/acs.jmedchem.1c00692 | |||
| CHEMBL5204739 | 193006 | 0 | None | 3 | 4 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 360 | 6 | 4 | 4 | 3.3 | CCCCCNC(=O)/N=C(\N)Nc1cccc(-c2sc(N)nc2C)c1 | 10.1021/acs.jmedchem.1c00692 | |||
| CHEMBL5222742 | 193006 | 0 | None | 3 | 4 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 360 | 6 | 4 | 4 | 3.3 | CCCCCNC(=O)/N=C(\N)Nc1cccc(-c2sc(N)nc2C)c1 | 10.1021/acs.jmedchem.1c00692 | |||
| 168294445 | 193010 | 0 | None | -1 | 4 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 414 | 6 | 4 | 4 | 2.6 | Cc1ccc(CC(C)CNC(=O)/N=C(\N)NCC2CCc3nc(N)sc3C2)cc1 | 10.1021/acs.jmedchem.1c00692 | |||
| CHEMBL5208113 | 193010 | 0 | None | -1 | 4 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 414 | 6 | 4 | 4 | 2.6 | Cc1ccc(CC(C)CNC(=O)/N=C(\N)NCC2CCc3nc(N)sc3C2)cc1 | 10.1021/acs.jmedchem.1c00692 | |||
| CHEMBL5222768 | 193010 | 0 | None | -1 | 4 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 414 | 6 | 4 | 4 | 2.6 | Cc1ccc(CC(C)CNC(=O)/N=C(\N)NCC2CCc3nc(N)sc3C2)cc1 | 10.1021/acs.jmedchem.1c00692 | |||
| 168294166 | 193014 | 0 | None | 1 | 4 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 360 | 6 | 4 | 4 | 3.3 | CCCCCNC(=O)/N=C(\N)Nc1ccc(-c2sc(N)nc2C)cc1 | 10.1021/acs.jmedchem.1c00692 | |||
| CHEMBL5209081 | 193014 | 0 | None | 1 | 4 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 360 | 6 | 4 | 4 | 3.3 | CCCCCNC(=O)/N=C(\N)Nc1ccc(-c2sc(N)nc2C)cc1 | 10.1021/acs.jmedchem.1c00692 | |||
| CHEMBL5222775 | 193014 | 0 | None | 1 | 4 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 360 | 6 | 4 | 4 | 3.3 | CCCCCNC(=O)/N=C(\N)Nc1ccc(-c2sc(N)nc2C)cc1 | 10.1021/acs.jmedchem.1c00692 | |||
| 168294449 | 193018 | 0 | None | -6 | 6 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 367 | 7 | 4 | 5 | 1.9 | CC(CNC(=O)/N=C(\N)NCCCc1nnc(N)s1)C1CCCCC1 | 10.1021/acs.jmedchem.1c00692 | |||
| CHEMBL5204599 | 193018 | 0 | None | -6 | 6 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 367 | 7 | 4 | 5 | 1.9 | CC(CNC(=O)/N=C(\N)NCCCc1nnc(N)s1)C1CCCCC1 | 10.1021/acs.jmedchem.1c00692 | |||
| CHEMBL5222793 | 193018 | 0 | None | -6 | 6 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 367 | 7 | 4 | 5 | 1.9 | CC(CNC(=O)/N=C(\N)NCCCc1nnc(N)s1)C1CCCCC1 | 10.1021/acs.jmedchem.1c00692 | |||
| 168294767 | 193019 | 0 | None | -117 | 20 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 313 | 8 | 4 | 5 | 0.9 | CCCCCNC(=O)/N=C(\N)NCCCc1nnc(N)s1 | 10.1021/acs.jmedchem.1c00692 | |||
| CHEMBL5207281 | 193019 | 0 | None | -117 | 20 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 313 | 8 | 4 | 5 | 0.9 | CCCCCNC(=O)/N=C(\N)NCCCc1nnc(N)s1 | 10.1021/acs.jmedchem.1c00692 | |||
| CHEMBL5222802 | 193019 | 0 | None | -117 | 20 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 313 | 8 | 4 | 5 | 0.9 | CCCCCNC(=O)/N=C(\N)NCCCc1nnc(N)s1 | 10.1021/acs.jmedchem.1c00692 | |||
| 168294770 | 193020 | 0 | None | 2 | 4 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 436 | 6 | 4 | 4 | 4.3 | Cc1ccc(CC(C)CNC(=O)/N=C(\N)Nc2cccc(-c3sc(N)nc3C)c2)cc1 | 10.1021/acs.jmedchem.1c00692 | |||
| CHEMBL5208327 | 193020 | 0 | None | 2 | 4 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 436 | 6 | 4 | 4 | 4.3 | Cc1ccc(CC(C)CNC(=O)/N=C(\N)Nc2cccc(-c3sc(N)nc3C)c2)cc1 | 10.1021/acs.jmedchem.1c00692 | |||
| CHEMBL5222806 | 193020 | 0 | None | 2 | 4 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 436 | 6 | 4 | 4 | 4.3 | Cc1ccc(CC(C)CNC(=O)/N=C(\N)Nc2cccc(-c3sc(N)nc3C)c2)cc1 | 10.1021/acs.jmedchem.1c00692 | |||
| 168294776 | 193026 | 0 | None | -7 | 4 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 366 | 7 | 3 | 4 | 2.6 | Cc1nnc(CCCN/C(N)=N/C(=O)NCC(C)C2CCCCC2)s1 | 10.1021/acs.jmedchem.1c00692 | |||
| CHEMBL5209479 | 193026 | 0 | None | -7 | 4 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 366 | 7 | 3 | 4 | 2.6 | Cc1nnc(CCCN/C(N)=N/C(=O)NCC(C)C2CCCCC2)s1 | 10.1021/acs.jmedchem.1c00692 | |||
| CHEMBL5222831 | 193026 | 0 | None | -7 | 4 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 366 | 7 | 3 | 4 | 2.6 | Cc1nnc(CCCN/C(N)=N/C(=O)NCC(C)C2CCCCC2)s1 | 10.1021/acs.jmedchem.1c00692 | |||
| 168295528 | 193031 | 0 | None | -147 | 20 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 333 | 6 | 4 | 5 | 0.9 | N/C(=N\C(=O)NCc1ccccc1)NCCCc1nnc(N)s1 | 10.1021/acs.jmedchem.1c00692 | |||
| CHEMBL5206565 | 193031 | 0 | None | -147 | 20 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 333 | 6 | 4 | 5 | 0.9 | N/C(=N\C(=O)NCc1ccccc1)NCCCc1nnc(N)s1 | 10.1021/acs.jmedchem.1c00692 | |||
| CHEMBL5222872 | 193031 | 0 | None | -147 | 20 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 333 | 6 | 4 | 5 | 0.9 | N/C(=N\C(=O)NCc1ccccc1)NCCCc1nnc(N)s1 | 10.1021/acs.jmedchem.1c00692 | |||
| 168294178 | 193035 | 0 | None | 1 | 4 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 414 | 5 | 4 | 4 | 4.4 | Cc1nc(N)sc1-c1ccc(N/C(N)=N/C(=O)NCC(C)C2CCCCC2)cc1 | 10.1021/acs.jmedchem.1c00692 | |||
| CHEMBL5205197 | 193035 | 0 | None | 1 | 4 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 414 | 5 | 4 | 4 | 4.4 | Cc1nc(N)sc1-c1ccc(N/C(N)=N/C(=O)NCC(C)C2CCCCC2)cc1 | 10.1021/acs.jmedchem.1c00692 | |||
| CHEMBL5222887 | 193035 | 0 | None | 1 | 4 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 414 | 5 | 4 | 4 | 4.4 | Cc1nc(N)sc1-c1ccc(N/C(N)=N/C(=O)NCC(C)C2CCCCC2)cc1 | 10.1021/acs.jmedchem.1c00692 | |||
| 168295541 | 193040 | 0 | None | -851 | 6 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 347 | 6 | 4 | 5 | 1.4 | C[C@@H](NC(=O)/N=C(\N)NCCCc1nnc(N)s1)c1ccccc1 | 10.1021/acs.jmedchem.1c00692 | |||
| CHEMBL5208845 | 193040 | 0 | None | -851 | 6 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 347 | 6 | 4 | 5 | 1.4 | C[C@@H](NC(=O)/N=C(\N)NCCCc1nnc(N)s1)c1ccccc1 | 10.1021/acs.jmedchem.1c00692 | |||
| CHEMBL5222926 | 193040 | 0 | None | -851 | 6 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 347 | 6 | 4 | 5 | 1.4 | C[C@@H](NC(=O)/N=C(\N)NCCCc1nnc(N)s1)c1ccccc1 | 10.1021/acs.jmedchem.1c00692 | |||
| 168295543 | 193041 | 0 | None | 1 | 4 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 380 | 4 | 4 | 4 | 3.3 | Cc1nc(N)sc1-c1ccc(N/C(N)=N/C(=O)NCc2ccccc2)cc1 | 10.1021/acs.jmedchem.1c00692 | |||
| CHEMBL5209021 | 193041 | 0 | None | 1 | 4 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 380 | 4 | 4 | 4 | 3.3 | Cc1nc(N)sc1-c1ccc(N/C(N)=N/C(=O)NCc2ccccc2)cc1 | 10.1021/acs.jmedchem.1c00692 | |||
| CHEMBL5222929 | 193041 | 0 | None | 1 | 4 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 380 | 4 | 4 | 4 | 3.3 | Cc1nc(N)sc1-c1ccc(N/C(N)=N/C(=O)NCc2ccccc2)cc1 | 10.1021/acs.jmedchem.1c00692 | |||
| 168295803 | 193045 | 0 | None | 3 | 4 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 338 | 6 | 4 | 4 | 1.6 | CCCCCNC(=O)/N=C(\N)NCC1CCc2nc(N)sc2C1 | 10.1021/acs.jmedchem.1c00692 | |||
| CHEMBL5207206 | 193045 | 0 | None | 3 | 4 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 338 | 6 | 4 | 4 | 1.6 | CCCCCNC(=O)/N=C(\N)NCC1CCc2nc(N)sc2C1 | 10.1021/acs.jmedchem.1c00692 | |||
| CHEMBL5222937 | 193045 | 0 | None | 3 | 4 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 338 | 6 | 4 | 4 | 1.6 | CCCCCNC(=O)/N=C(\N)NCC1CCc2nc(N)sc2C1 | 10.1021/acs.jmedchem.1c00692 | |||
| 168294182 | 193048 | 0 | None | -3 | 4 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 314 | 6 | 4 | 2 | 1.7 | C[C@@H](NC(=O)/N=C(\N)NCCCc1c[nH]cn1)c1ccccc1 | 10.1021/acs.jmedchem.1c00692 | |||
| CHEMBL5208722 | 193048 | 0 | None | -3 | 4 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 314 | 6 | 4 | 2 | 1.7 | C[C@@H](NC(=O)/N=C(\N)NCCCc1c[nH]cn1)c1ccccc1 | 10.1021/acs.jmedchem.1c00692 | |||
| CHEMBL5222960 | 193048 | 0 | None | -3 | 4 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 314 | 6 | 4 | 2 | 1.7 | C[C@@H](NC(=O)/N=C(\N)NCCCc1c[nH]cn1)c1ccccc1 | 10.1021/acs.jmedchem.1c00692 | |||
| 156021166 | 178337 | 0 | None | - | 1 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 908 | 25 | 3 | 8 | 10.3 | C[N+]1=C(/C=C/C=C/C=C2\N(CCCCCC(=O)NCCCCCCNc3c(NCCCOc4cccc(CN5CCCCC5)c4)c(=O)c3=O)c3ccccc3C2(C)C)C(C)(C)c2ccccc21 | 10.1021/acsmedchemlett.0c00033 | |||
| CHEMBL4647775 | 178337 | 0 | None | - | 1 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 908 | 25 | 3 | 8 | 10.3 | C[N+]1=C(/C=C/C=C/C=C2\N(CCCCCC(=O)NCCCCCCNc3c(NCCCOc4cccc(CN5CCCCC5)c4)c(=O)c3=O)c3ccccc3C2(C)C)C(C)(C)c2ccccc21 | 10.1021/acsmedchemlett.0c00033 | |||
| CHEMBL4651205 | 178337 | 0 | None | - | 1 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 908 | 25 | 3 | 8 | 10.3 | C[N+]1=C(/C=C/C=C/C=C2\N(CCCCCC(=O)NCCCCCCNc3c(NCCCOc4cccc(CN5CCCCC5)c4)c(=O)c3=O)c3ccccc3C2(C)C)C(C)(C)c2ccccc21 | 10.1021/acsmedchemlett.0c00033 | |||
| 156015793 | 178259 | 0 | None | - | 1 | Human | 6.9 | pKd | = | 6.9 | Binding | ChEMBL | 880 | 23 | 3 | 8 | 9.5 | C[N+]1=C(/C=C/C=C/C=C2\N(CCCCCC(=O)NCCCCNc3c(NCCCOc4cccc(CN5CCCCC5)c4)c(=O)c3=O)c3ccccc3C2(C)C)C(C)(C)c2ccccc21 | 10.1021/acsmedchemlett.0c00033 | |||
| CHEMBL4645867 | 178259 | 0 | None | - | 1 | Human | 6.9 | pKd | = | 6.9 | Binding | ChEMBL | 880 | 23 | 3 | 8 | 9.5 | C[N+]1=C(/C=C/C=C/C=C2\N(CCCCCC(=O)NCCCCNc3c(NCCCOc4cccc(CN5CCCCC5)c4)c(=O)c3=O)c3ccccc3C2(C)C)C(C)(C)c2ccccc21 | 10.1021/acsmedchemlett.0c00033 | |||
| CHEMBL4650701 | 178259 | 0 | None | - | 1 | Human | 6.9 | pKd | = | 6.9 | Binding | ChEMBL | 880 | 23 | 3 | 8 | 9.5 | C[N+]1=C(/C=C/C=C/C=C2\N(CCCCCC(=O)NCCCCNc3c(NCCCOc4cccc(CN5CCCCC5)c4)c(=O)c3=O)c3ccccc3C2(C)C)C(C)(C)c2ccccc21 | 10.1021/acsmedchemlett.0c00033 | |||
| 156011186 | 178243 | 0 | None | - | 1 | Human | 7.8 | pKd | = | 7.8 | Binding | ChEMBL | 704 | 20 | 2 | 7 | 7.5 | Cc1cc(/C=C/C=C/c2ccc(N(C)C)cc2)cc(C)[n+]1CCCCCCNc1c(NCCCOc2cccc(CN3CCCCC3)c2)c(=O)c1=O | 10.1021/acsmedchemlett.0c00033 | |||
| CHEMBL4637893 | 178243 | 0 | None | - | 1 | Human | 7.8 | pKd | = | 7.8 | Binding | ChEMBL | 704 | 20 | 2 | 7 | 7.5 | Cc1cc(/C=C/C=C/c2ccc(N(C)C)cc2)cc(C)[n+]1CCCCCCNc1c(NCCCOc2cccc(CN3CCCCC3)c2)c(=O)c1=O | 10.1021/acsmedchemlett.0c00033 | |||
| CHEMBL4650588 | 178243 | 0 | None | - | 1 | Human | 7.8 | pKd | = | 7.8 | Binding | ChEMBL | 704 | 20 | 2 | 7 | 7.5 | Cc1cc(/C=C/C=C/c2ccc(N(C)C)cc2)cc(C)[n+]1CCCCCCNc1c(NCCCOc2cccc(CN3CCCCC3)c2)c(=O)c1=O | 10.1021/acsmedchemlett.0c00033 | |||
| 156021166 | 178337 | 0 | None | - | 1 | Human | 7.8 | pKd | = | 7.8 | Binding | ChEMBL | 908 | 25 | 3 | 8 | 10.3 | C[N+]1=C(/C=C/C=C/C=C2\N(CCCCCC(=O)NCCCCCCNc3c(NCCCOc4cccc(CN5CCCCC5)c4)c(=O)c3=O)c3ccccc3C2(C)C)C(C)(C)c2ccccc21 | 10.1021/acsmedchemlett.0c00033 | |||
| CHEMBL4647775 | 178337 | 0 | None | - | 1 | Human | 7.8 | pKd | = | 7.8 | Binding | ChEMBL | 908 | 25 | 3 | 8 | 10.3 | C[N+]1=C(/C=C/C=C/C=C2\N(CCCCCC(=O)NCCCCCCNc3c(NCCCOc4cccc(CN5CCCCC5)c4)c(=O)c3=O)c3ccccc3C2(C)C)C(C)(C)c2ccccc21 | 10.1021/acsmedchemlett.0c00033 | |||
| CHEMBL4651205 | 178337 | 0 | None | - | 1 | Human | 7.8 | pKd | = | 7.8 | Binding | ChEMBL | 908 | 25 | 3 | 8 | 10.3 | C[N+]1=C(/C=C/C=C/C=C2\N(CCCCCC(=O)NCCCCCCNc3c(NCCCOc4cccc(CN5CCCCC5)c4)c(=O)c3=O)c3ccccc3C2(C)C)C(C)(C)c2ccccc21 | 10.1021/acsmedchemlett.0c00033 | |||
| 156015041 | 178233 | 0 | None | - | 1 | Human | 7.8 | pKd | = | 7.8 | Binding | ChEMBL | 1029 | 30 | 3 | 11 | 10.0 | CC1(C)C(/C=C/C=C/C=C2\N(CCCCCC(=O)NCCCCCCNc3c(NCCCOc4cccc(CN5CCCCC5)c4)c(=O)c3=O)c3ccccc3C2(C)C)=[N+](CCCCS(=O)(=O)[O-])c2ccccc21 | 10.1021/acsmedchemlett.0c00033 | |||
| CHEMBL4637356 | 178233 | 0 | None | - | 1 | Human | 7.8 | pKd | = | 7.8 | Binding | ChEMBL | 1029 | 30 | 3 | 11 | 10.0 | CC1(C)C(/C=C/C=C/C=C2\N(CCCCCC(=O)NCCCCCCNc3c(NCCCOc4cccc(CN5CCCCC5)c4)c(=O)c3=O)c3ccccc3C2(C)C)=[N+](CCCCS(=O)(=O)[O-])c2ccccc21 | 10.1021/acsmedchemlett.0c00033 | |||
| CHEMBL4650547 | 178233 | 0 | None | - | 1 | Human | 7.8 | pKd | = | 7.8 | Binding | ChEMBL | 1029 | 30 | 3 | 11 | 10.0 | CC1(C)C(/C=C/C=C/C=C2\N(CCCCCC(=O)NCCCCCCNc3c(NCCCOc4cccc(CN5CCCCC5)c4)c(=O)c3=O)c3ccccc3C2(C)C)=[N+](CCCCS(=O)(=O)[O-])c2ccccc21 | 10.1021/acsmedchemlett.0c00033 | |||
| 156015643 | 178295 | 0 | None | - | 1 | Human | 6.8 | pKd | = | 6.8 | Binding | ChEMBL | 1001 | 28 | 3 | 11 | 9.2 | CC1(C)C(/C=C/C=C/C=C2\N(CCCCCC(=O)NCCCCNc3c(NCCCOc4cccc(CN5CCCCC5)c4)c(=O)c3=O)c3ccccc3C2(C)C)=[N+](CCCCS(=O)(=O)[O-])c2ccccc21 | 10.1021/acsmedchemlett.0c00033 | |||
| CHEMBL4645213 | 178295 | 0 | None | - | 1 | Human | 6.8 | pKd | = | 6.8 | Binding | ChEMBL | 1001 | 28 | 3 | 11 | 9.2 | CC1(C)C(/C=C/C=C/C=C2\N(CCCCCC(=O)NCCCCNc3c(NCCCOc4cccc(CN5CCCCC5)c4)c(=O)c3=O)c3ccccc3C2(C)C)=[N+](CCCCS(=O)(=O)[O-])c2ccccc21 | 10.1021/acsmedchemlett.0c00033 | |||
| CHEMBL4650968 | 178295 | 0 | None | - | 1 | Human | 6.8 | pKd | = | 6.8 | Binding | ChEMBL | 1001 | 28 | 3 | 11 | 9.2 | CC1(C)C(/C=C/C=C/C=C2\N(CCCCCC(=O)NCCCCNc3c(NCCCOc4cccc(CN5CCCCC5)c4)c(=O)c3=O)c3ccccc3C2(C)C)=[N+](CCCCS(=O)(=O)[O-])c2ccccc21 | 10.1021/acsmedchemlett.0c00033 | |||
| 156015722 | 178273 | 0 | None | - | 1 | Human | 7.7 | pKd | = | 7.7 | Binding | ChEMBL | 718 | 21 | 2 | 7 | 7.9 | Cc1cc(/C=C/C=C/c2ccc(N(C)C)cc2)cc(C)[n+]1CCCCCCCNc1c(NCCCOc2cccc(CN3CCCCC3)c2)c(=O)c1=O | 10.1021/acsmedchemlett.0c00033 | |||
| CHEMBL4644467 | 178273 | 0 | None | - | 1 | Human | 7.7 | pKd | = | 7.7 | Binding | ChEMBL | 718 | 21 | 2 | 7 | 7.9 | Cc1cc(/C=C/C=C/c2ccc(N(C)C)cc2)cc(C)[n+]1CCCCCCCNc1c(NCCCOc2cccc(CN3CCCCC3)c2)c(=O)c1=O | 10.1021/acsmedchemlett.0c00033 | |||
| CHEMBL4650837 | 178273 | 0 | None | - | 1 | Human | 7.7 | pKd | = | 7.7 | Binding | ChEMBL | 718 | 21 | 2 | 7 | 7.9 | Cc1cc(/C=C/C=C/c2ccc(N(C)C)cc2)cc(C)[n+]1CCCCCCCNc1c(NCCCOc2cccc(CN3CCCCC3)c2)c(=O)c1=O | 10.1021/acsmedchemlett.0c00033 | |||
| CHEMBL5088914 | 215562 | 0 | None | - | 1 | Human | 6.6 | pKd | = | 6.6 | Binding | ChEMBL | None | None | None | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NCCCCCCCCCCNC(=O)CCCCCN1/C(=C/C=C/C=C/C2=[N+](CCCCS(=O)(=O)[O-])c3ccccc3C2(C)C)c2ccccc2C1(C)C | 10.1016/j.bmcl.2021.128388 | |||||
| CHEMBL5095949 | 215562 | 0 | None | - | 1 | Human | 6.6 | pKd | = | 6.6 | Binding | ChEMBL | None | None | None | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NCCCCCCCCCCNC(=O)CCCCCN1/C(=C/C=C/C=C/C2=[N+](CCCCS(=O)(=O)[O-])c3ccccc3C2(C)C)c2ccccc2C1(C)C | 10.1016/j.bmcl.2021.128388 | |||||
| 44403829 | 71452 | 0 | None | - | 1 | Human | 6.6 | pKd | = | 6.6 | Binding | ChEMBL | 743 | 15 | 4 | 7 | 5.3 | CN1C(=O)[C@H](NC(=O)Nc2ccc(CC(=O)NCCC(=O)NCCCOc3cccc(CN4CCCCC4)c3)cc2)N=C(c2ccccc2)c2ccccc21 | 10.1021/jm058225d | |||
| CHEMBL196143 | 71452 | 0 | None | - | 1 | Human | 6.6 | pKd | = | 6.6 | Binding | ChEMBL | 743 | 15 | 4 | 7 | 5.3 | CN1C(=O)[C@H](NC(=O)Nc2ccc(CC(=O)NCCC(=O)NCCCOc3cccc(CN4CCCCC4)c3)cc2)N=C(c2ccccc2)c2ccccc21 | 10.1021/jm058225d | |||
| 5105 | 176827 | 52 | None | - | 1 | Human | 6.6 | pKd | = | 6.6 | Binding | ChEMBL | 348 | 9 | 1 | 5 | 2.1 | CC(=O)OCC(=O)NCCCOc1cccc(CN2CCCCC2)c1 | 10.1021/jm058225d | |||
| CHEMBL46102 | 176827 | 52 | None | - | 1 | Human | 6.6 | pKd | = | 6.6 | Binding | ChEMBL | 348 | 9 | 1 | 5 | 2.1 | CC(=O)OCC(=O)NCCCOc1cccc(CN2CCCCC2)c1 | 10.1021/jm058225d | |||
| 156015152 | 178306 | 0 | None | - | 1 | Human | 7.6 | pKd | = | 7.6 | Binding | ChEMBL | 676 | 18 | 2 | 7 | 6.7 | Cc1cc(/C=C/C=C/c2ccc(N(C)C)cc2)cc(C)[n+]1CCCCNc1c(NCCCOc2cccc(CN3CCCCC3)c2)c(=O)c1=O | 10.1021/acsmedchemlett.0c00033 | |||
| CHEMBL4641916 | 178306 | 0 | None | - | 1 | Human | 7.6 | pKd | = | 7.6 | Binding | ChEMBL | 676 | 18 | 2 | 7 | 6.7 | Cc1cc(/C=C/C=C/c2ccc(N(C)C)cc2)cc(C)[n+]1CCCCNc1c(NCCCOc2cccc(CN3CCCCC3)c2)c(=O)c1=O | 10.1021/acsmedchemlett.0c00033 | |||
| CHEMBL4651017 | 178306 | 0 | None | - | 1 | Human | 7.6 | pKd | = | 7.6 | Binding | ChEMBL | 676 | 18 | 2 | 7 | 6.7 | Cc1cc(/C=C/C=C/c2ccc(N(C)C)cc2)cc(C)[n+]1CCCCNc1c(NCCCOc2cccc(CN3CCCCC3)c2)c(=O)c1=O | 10.1021/acsmedchemlett.0c00033 | |||
| 156015793 | 178259 | 0 | None | - | 1 | Human | 6.5 | pKd | = | 6.5 | Binding | ChEMBL | 880 | 23 | 3 | 8 | 9.5 | C[N+]1=C(/C=C/C=C/C=C2\N(CCCCCC(=O)NCCCCNc3c(NCCCOc4cccc(CN5CCCCC5)c4)c(=O)c3=O)c3ccccc3C2(C)C)C(C)(C)c2ccccc21 | 10.1021/acsmedchemlett.0c00033 | |||
| CHEMBL4645867 | 178259 | 0 | None | - | 1 | Human | 6.5 | pKd | = | 6.5 | Binding | ChEMBL | 880 | 23 | 3 | 8 | 9.5 | C[N+]1=C(/C=C/C=C/C=C2\N(CCCCCC(=O)NCCCCNc3c(NCCCOc4cccc(CN5CCCCC5)c4)c(=O)c3=O)c3ccccc3C2(C)C)C(C)(C)c2ccccc21 | 10.1021/acsmedchemlett.0c00033 | |||
| CHEMBL4650701 | 178259 | 0 | None | - | 1 | Human | 6.5 | pKd | = | 6.5 | Binding | ChEMBL | 880 | 23 | 3 | 8 | 9.5 | C[N+]1=C(/C=C/C=C/C=C2\N(CCCCCC(=O)NCCCCNc3c(NCCCOc4cccc(CN5CCCCC5)c4)c(=O)c3=O)c3ccccc3C2(C)C)C(C)(C)c2ccccc21 | 10.1021/acsmedchemlett.0c00033 | |||
| 156015633 | 178255 | 0 | None | - | 1 | Human | 7.5 | pKd | = | 7.5 | Binding | ChEMBL | 498 | 17 | 3 | 7 | 3.6 | CCC(=O)NCCCCCCNc1c(NCCCOc2cccc(CN3CCCCC3)c2)c(=O)c1=O | 10.1021/acsmedchemlett.0c00033 | |||
| 156020426 | 178255 | 0 | None | - | 1 | Human | 7.5 | pKd | = | 7.5 | Binding | ChEMBL | 498 | 17 | 3 | 7 | 3.6 | CCC(=O)NCCCCCCNc1c(NCCCOc2cccc(CN3CCCCC3)c2)c(=O)c1=O | 10.1021/acsmedchemlett.0c00033 | |||
| CHEMBL4648685 | 178255 | 0 | None | - | 1 | Human | 7.5 | pKd | = | 7.5 | Binding | ChEMBL | 498 | 17 | 3 | 7 | 3.6 | CCC(=O)NCCCCCCNc1c(NCCCOc2cccc(CN3CCCCC3)c2)c(=O)c1=O | 10.1021/acsmedchemlett.0c00033 | |||
| CHEMBL4650687 | 178255 | 0 | None | - | 1 | Human | 7.5 | pKd | = | 7.5 | Binding | ChEMBL | 498 | 17 | 3 | 7 | 3.6 | CCC(=O)NCCCCCCNc1c(NCCCOc2cccc(CN3CCCCC3)c2)c(=O)c1=O | 10.1021/acsmedchemlett.0c00033 | |||
| CHEMBL5094663 | 215506 | 0 | None | - | 1 | Human | 7.5 | pKd | = | 7.5 | Binding | ChEMBL | None | None | None | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NCCCCCCNC(=O)CCCCCN1/C(=C/C=C/C=C/C2=[N+](C)c3ccccc3C2(C)C)c2ccccc2C1(C)C | 10.1016/j.bmcl.2021.128388 | |||||
| 156014823 | 178327 | 0 | None | - | 1 | Human | 6.4 | pKd | = | 6.4 | Binding | ChEMBL | 1109 | 31 | 4 | 13 | 9.2 | CC1(C)C(/C=C/C=C/C=C2\N(CCCCCC(=O)NCCCCCCNc3c(NCCCOc4cccc(CN5CCCCC5)c4)c(=O)c3=O)c3cc(S(=O)(=O)O)ccc3C2(C)C)=[N+](CCCCS(=O)(=O)[O-])c2ccccc21 | 10.1021/acsmedchemlett.0c00033 | |||
| CHEMBL4641747 | 178327 | 0 | None | - | 1 | Human | 6.4 | pKd | = | 6.4 | Binding | ChEMBL | 1109 | 31 | 4 | 13 | 9.2 | CC1(C)C(/C=C/C=C/C=C2\N(CCCCCC(=O)NCCCCCCNc3c(NCCCOc4cccc(CN5CCCCC5)c4)c(=O)c3=O)c3cc(S(=O)(=O)O)ccc3C2(C)C)=[N+](CCCCS(=O)(=O)[O-])c2ccccc21 | 10.1021/acsmedchemlett.0c00033 | |||
| CHEMBL4651132 | 178327 | 0 | None | - | 1 | Human | 6.4 | pKd | = | 6.4 | Binding | ChEMBL | 1109 | 31 | 4 | 13 | 9.2 | CC1(C)C(/C=C/C=C/C=C2\N(CCCCCC(=O)NCCCCCCNc3c(NCCCOc4cccc(CN5CCCCC5)c4)c(=O)c3=O)c3cc(S(=O)(=O)O)ccc3C2(C)C)=[N+](CCCCS(=O)(=O)[O-])c2ccccc21 | 10.1021/acsmedchemlett.0c00033 | |||
| 156015041 | 178233 | 0 | None | - | 1 | Human | 7.3 | pKd | = | 7.3 | Binding | ChEMBL | 1029 | 30 | 3 | 11 | 10.0 | CC1(C)C(/C=C/C=C/C=C2\N(CCCCCC(=O)NCCCCCCNc3c(NCCCOc4cccc(CN5CCCCC5)c4)c(=O)c3=O)c3ccccc3C2(C)C)=[N+](CCCCS(=O)(=O)[O-])c2ccccc21 | 10.1021/acsmedchemlett.0c00033 | |||
| CHEMBL4637356 | 178233 | 0 | None | - | 1 | Human | 7.3 | pKd | = | 7.3 | Binding | ChEMBL | 1029 | 30 | 3 | 11 | 10.0 | CC1(C)C(/C=C/C=C/C=C2\N(CCCCCC(=O)NCCCCCCNc3c(NCCCOc4cccc(CN5CCCCC5)c4)c(=O)c3=O)c3ccccc3C2(C)C)=[N+](CCCCS(=O)(=O)[O-])c2ccccc21 | 10.1021/acsmedchemlett.0c00033 | |||
| CHEMBL4650547 | 178233 | 0 | None | - | 1 | Human | 7.3 | pKd | = | 7.3 | Binding | ChEMBL | 1029 | 30 | 3 | 11 | 10.0 | CC1(C)C(/C=C/C=C/C=C2\N(CCCCCC(=O)NCCCCCCNc3c(NCCCOc4cccc(CN5CCCCC5)c4)c(=O)c3=O)c3ccccc3C2(C)C)=[N+](CCCCS(=O)(=O)[O-])c2ccccc21 | 10.1021/acsmedchemlett.0c00033 | |||
| CHEMBL5075713 | 215529 | 0 | None | - | 1 | Human | 7.3 | pKd | = | 7.3 | Binding | ChEMBL | None | None | None | CC1(C)C(/C=C/C=C/C=C2\c3ccccc3C(C)(C)N2CCCCCC(=O)NCCCCCCCCNC(=O)/N=C(\N)NCCCc2c[nH]cn2)=[N+](CCCCS(=O)(=O)[O-])c2ccccc21 | 10.1016/j.bmcl.2021.128388 | |||||
| CHEMBL5095559 | 215529 | 0 | None | - | 1 | Human | 7.3 | pKd | = | 7.3 | Binding | ChEMBL | None | None | None | CC1(C)C(/C=C/C=C/C=C2\c3ccccc3C(C)(C)N2CCCCCC(=O)NCCCCCCCCNC(=O)/N=C(\N)NCCCc2c[nH]cn2)=[N+](CCCCS(=O)(=O)[O-])c2ccccc21 | 10.1016/j.bmcl.2021.128388 | |||||
| 156015643 | 178295 | 0 | None | - | 1 | Human | 6.3 | pKd | = | 6.3 | Binding | ChEMBL | 1001 | 28 | 3 | 11 | 9.2 | CC1(C)C(/C=C/C=C/C=C2\N(CCCCCC(=O)NCCCCNc3c(NCCCOc4cccc(CN5CCCCC5)c4)c(=O)c3=O)c3ccccc3C2(C)C)=[N+](CCCCS(=O)(=O)[O-])c2ccccc21 | 10.1021/acsmedchemlett.0c00033 | |||
| CHEMBL4645213 | 178295 | 0 | None | - | 1 | Human | 6.3 | pKd | = | 6.3 | Binding | ChEMBL | 1001 | 28 | 3 | 11 | 9.2 | CC1(C)C(/C=C/C=C/C=C2\N(CCCCCC(=O)NCCCCNc3c(NCCCOc4cccc(CN5CCCCC5)c4)c(=O)c3=O)c3ccccc3C2(C)C)=[N+](CCCCS(=O)(=O)[O-])c2ccccc21 | 10.1021/acsmedchemlett.0c00033 | |||
| CHEMBL4650968 | 178295 | 0 | None | - | 1 | Human | 6.3 | pKd | = | 6.3 | Binding | ChEMBL | 1001 | 28 | 3 | 11 | 9.2 | CC1(C)C(/C=C/C=C/C=C2\N(CCCCCC(=O)NCCCCNc3c(NCCCOc4cccc(CN5CCCCC5)c4)c(=O)c3=O)c3ccccc3C2(C)C)=[N+](CCCCS(=O)(=O)[O-])c2ccccc21 | 10.1021/acsmedchemlett.0c00033 | |||
| 5039 | 63183 | 17 | None | - | 1 | Human | 7.2 | pKd | = | 7.2 | Binding | ChEMBL | 314 | 10 | 2 | 7 | 1.5 | CNC(=C[N+](=O)[O-])NCCSCc1ccc(CN(C)C)o1 | 10.1007/s00044-004-0012-z | |||
| CHEMBL1790041 | 63183 | 17 | None | - | 1 | Human | 7.2 | pKd | = | 7.2 | Binding | ChEMBL | 314 | 10 | 2 | 7 | 1.5 | CNC(=C[N+](=O)[O-])NCCSCc1ccc(CN(C)C)o1 | 10.1007/s00044-004-0012-z | |||
| 156015722 | 178273 | 0 | None | - | 1 | Human | 7.2 | pKd | = | 7.2 | Binding | ChEMBL | 718 | 21 | 2 | 7 | 7.9 | Cc1cc(/C=C/C=C/c2ccc(N(C)C)cc2)cc(C)[n+]1CCCCCCCNc1c(NCCCOc2cccc(CN3CCCCC3)c2)c(=O)c1=O | 10.1021/acsmedchemlett.0c00033 | |||
| CHEMBL4644467 | 178273 | 0 | None | - | 1 | Human | 7.2 | pKd | = | 7.2 | Binding | ChEMBL | 718 | 21 | 2 | 7 | 7.9 | Cc1cc(/C=C/C=C/c2ccc(N(C)C)cc2)cc(C)[n+]1CCCCCCCNc1c(NCCCOc2cccc(CN3CCCCC3)c2)c(=O)c1=O | 10.1021/acsmedchemlett.0c00033 | |||
| CHEMBL4650837 | 178273 | 0 | None | - | 1 | Human | 7.2 | pKd | = | 7.2 | Binding | ChEMBL | 718 | 21 | 2 | 7 | 7.9 | Cc1cc(/C=C/C=C/c2ccc(N(C)C)cc2)cc(C)[n+]1CCCCCCCNc1c(NCCCOc2cccc(CN3CCCCC3)c2)c(=O)c1=O | 10.1021/acsmedchemlett.0c00033 | |||
| CHEMBL5083588 | 215534 | 0 | None | - | 1 | Human | 7.2 | pKd | = | 7.2 | Binding | ChEMBL | None | None | None | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NCCCCCCCCNC(=O)CCCCCN1/C(=C/C=C/C=C/C2=[N+](CCCCS(=O)(=O)[O-])c3ccccc3C2(C)C)c2ccccc2C1(C)C | 10.1016/j.bmcl.2021.128388 | |||||
| CHEMBL5095633 | 215534 | 0 | None | - | 1 | Human | 7.2 | pKd | = | 7.2 | Binding | ChEMBL | None | None | None | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NCCCCCCCCNC(=O)CCCCCN1/C(=C/C=C/C=C/C2=[N+](CCCCS(=O)(=O)[O-])c3ccccc3C2(C)C)c2ccccc2C1(C)C | 10.1016/j.bmcl.2021.128388 | |||||
| 156015152 | 178306 | 0 | None | - | 1 | Human | 7.1 | pKd | = | 7.1 | Binding | ChEMBL | 676 | 18 | 2 | 7 | 6.7 | Cc1cc(/C=C/C=C/c2ccc(N(C)C)cc2)cc(C)[n+]1CCCCNc1c(NCCCOc2cccc(CN3CCCCC3)c2)c(=O)c1=O | 10.1021/acsmedchemlett.0c00033 | |||
| CHEMBL4641916 | 178306 | 0 | None | - | 1 | Human | 7.1 | pKd | = | 7.1 | Binding | ChEMBL | 676 | 18 | 2 | 7 | 6.7 | Cc1cc(/C=C/C=C/c2ccc(N(C)C)cc2)cc(C)[n+]1CCCCNc1c(NCCCOc2cccc(CN3CCCCC3)c2)c(=O)c1=O | 10.1021/acsmedchemlett.0c00033 | |||
| CHEMBL4651017 | 178306 | 0 | None | - | 1 | Human | 7.1 | pKd | = | 7.1 | Binding | ChEMBL | 676 | 18 | 2 | 7 | 6.7 | Cc1cc(/C=C/C=C/c2ccc(N(C)C)cc2)cc(C)[n+]1CCCCNc1c(NCCCOc2cccc(CN3CCCCC3)c2)c(=O)c1=O | 10.1021/acsmedchemlett.0c00033 | |||
| 3032915 | 15495 | 24 | None | -25 | 6 | Human | 5.1 | pKd | = | 5.1 | Binding | ChEMBL | 212 | 5 | 3 | 2 | 1.2 | C/N=C(\S)NCCCCc1c[nH]cn1 | 10.1007/s00044-004-0012-z | |||
| CHEMBL12160 | 15495 | 24 | None | -25 | 6 | Human | 5.1 | pKd | = | 5.1 | Binding | ChEMBL | 212 | 5 | 3 | 2 | 1.2 | C/N=C(\S)NCCCCc1c[nH]cn1 | 10.1007/s00044-004-0012-z | |||
| 24824726 | 161109 | 1 | None | -10232 | 6 | Human | 5.1 | pKd | = | 5.1 | Binding | ChEMBL | 496 | 11 | 1 | 6 | 3.6 | COCCCC(=O)NCCN1CCC[C@@H]1Cn1nc(Cc2ccc(Cl)cc2)c2ccccc2c1=O | 10.1021/acsmedchemlett.7b00112 | |||
| CHEMBL4060529 | 161109 | 1 | None | -10232 | 6 | Human | 5.1 | pKd | = | 5.1 | Binding | ChEMBL | 496 | 11 | 1 | 6 | 3.6 | COCCCC(=O)NCCN1CCC[C@@H]1Cn1nc(Cc2ccc(Cl)cc2)c2ccccc2c1=O | 10.1021/acsmedchemlett.7b00112 | |||
| CHEMBL4117079 | 161109 | 1 | None | -10232 | 6 | Human | 5.1 | pKd | = | 5.1 | Binding | ChEMBL | 496 | 11 | 1 | 6 | 3.6 | COCCCC(=O)NCCN1CCC[C@@H]1Cn1nc(Cc2ccc(Cl)cc2)c2ccccc2c1=O | 10.1021/acsmedchemlett.7b00112 | |||
| CHEMBL5282336 | 161109 | 1 | None | -10232 | 6 | Human | 5.1 | pKd | = | 5.1 | Binding | ChEMBL | 496 | 11 | 1 | 6 | 3.6 | COCCCC(=O)NCCN1CCC[C@@H]1Cn1nc(Cc2ccc(Cl)cc2)c2ccccc2c1=O | 10.1021/acsmedchemlett.7b00112 | |||
| CHEMBL5286389 | 161109 | 1 | None | -10232 | 6 | Human | 5.1 | pKd | = | 5.1 | Binding | ChEMBL | 496 | 11 | 1 | 6 | 3.6 | COCCCC(=O)NCCN1CCC[C@@H]1Cn1nc(Cc2ccc(Cl)cc2)c2ccccc2c1=O | 10.1021/acsmedchemlett.7b00112 | |||
| CHEMBL5078202 | 215536 | 0 | None | - | 1 | Human | 7.1 | pKd | = | 7.1 | Binding | ChEMBL | None | None | None | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NCCCCCCCCNC(=O)CCCCCNC(=O)COc1ccc(/C=C/C2=[N+]3C(=Cc4ccc(-c5cccs5)n4[B-]3(F)F)C=C2)cc1 | 10.1016/j.bmcl.2021.128388 | |||||
| CHEMBL5095695 | 215536 | 0 | None | - | 1 | Human | 7.1 | pKd | = | 7.1 | Binding | ChEMBL | None | None | None | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NCCCCCCCCNC(=O)CCCCCNC(=O)COc1ccc(/C=C/C2=[N+]3C(=Cc4ccc(-c5cccs5)n4[B-]3(F)F)C=C2)cc1 | 10.1016/j.bmcl.2021.128388 | |||||
| 156015152 | 178306 | 0 | None | - | 1 | Human | 7.1 | pKd | = | 7.1 | Binding | ChEMBL | 676 | 18 | 2 | 7 | 6.7 | Cc1cc(/C=C/C=C/c2ccc(N(C)C)cc2)cc(C)[n+]1CCCCNc1c(NCCCOc2cccc(CN3CCCCC3)c2)c(=O)c1=O | 10.1021/acsmedchemlett.0c00033 | |||
| CHEMBL4641916 | 178306 | 0 | None | - | 1 | Human | 7.1 | pKd | = | 7.1 | Binding | ChEMBL | 676 | 18 | 2 | 7 | 6.7 | Cc1cc(/C=C/C=C/c2ccc(N(C)C)cc2)cc(C)[n+]1CCCCNc1c(NCCCOc2cccc(CN3CCCCC3)c2)c(=O)c1=O | 10.1021/acsmedchemlett.0c00033 | |||
| CHEMBL4651017 | 178306 | 0 | None | - | 1 | Human | 7.1 | pKd | = | 7.1 | Binding | ChEMBL | 676 | 18 | 2 | 7 | 6.7 | Cc1cc(/C=C/C=C/c2ccc(N(C)C)cc2)cc(C)[n+]1CCCCNc1c(NCCCOc2cccc(CN3CCCCC3)c2)c(=O)c1=O | 10.1021/acsmedchemlett.0c00033 | |||
| 156015722 | 178273 | 0 | None | - | 1 | Human | 7.1 | pKd | = | 7.1 | Binding | ChEMBL | 718 | 21 | 2 | 7 | 7.9 | Cc1cc(/C=C/C=C/c2ccc(N(C)C)cc2)cc(C)[n+]1CCCCCCCNc1c(NCCCOc2cccc(CN3CCCCC3)c2)c(=O)c1=O | 10.1021/acsmedchemlett.0c00033 | |||
| CHEMBL4644467 | 178273 | 0 | None | - | 1 | Human | 7.1 | pKd | = | 7.1 | Binding | ChEMBL | 718 | 21 | 2 | 7 | 7.9 | Cc1cc(/C=C/C=C/c2ccc(N(C)C)cc2)cc(C)[n+]1CCCCCCCNc1c(NCCCOc2cccc(CN3CCCCC3)c2)c(=O)c1=O | 10.1021/acsmedchemlett.0c00033 | |||
| CHEMBL4650837 | 178273 | 0 | None | - | 1 | Human | 7.1 | pKd | = | 7.1 | Binding | ChEMBL | 718 | 21 | 2 | 7 | 7.9 | Cc1cc(/C=C/C=C/c2ccc(N(C)C)cc2)cc(C)[n+]1CCCCCCCNc1c(NCCCOc2cccc(CN3CCCCC3)c2)c(=O)c1=O | 10.1021/acsmedchemlett.0c00033 | |||
| 9990475 | 56477 | 0 | None | -3 | 3 | Rat | 5.0 | pKd | = | 5.0 | Binding | ChEMBL | 205 | 2 | 2 | 3 | -0.5 | Cc1nc(N)[se]c1CCN | 10.1016/S0960-894X(01)80533-3 | |||
| CHEMBL1632408 | 56477 | 0 | None | -3 | 3 | Rat | 5.0 | pKd | = | 5.0 | Binding | ChEMBL | 205 | 2 | 2 | 3 | -0.5 | Cc1nc(N)[se]c1CCN | 10.1016/S0960-894X(01)80533-3 | |||
| CHEMBL2448450 | 56477 | 0 | None | -3 | 3 | Rat | 5.0 | pKd | = | 5.0 | Binding | ChEMBL | 205 | 2 | 2 | 3 | -0.5 | Cc1nc(N)[se]c1CCN | 10.1016/S0960-894X(01)80533-3 | |||
| 9805944 | 56227 | 37 | None | -2 | 9 | Human | 8.8 | pKi | = | 8.8 | 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 | -2 | 9 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 462 | 7 | 2 | 3 | 4.7 | CNC(=O)C(CCN1CCC(O)(c2ccc(Cl)cc2)CC1)(c1ccccc1)c1ccccc1 | 10.1021/jm800510m | |||
| 164622259 | 185730 | 0 | None | 2290 | 4 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 336 | 6 | 4 | 5 | 1.4 | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NCc1ccco1 | 10.1016/j.ejmech.2021.113190 | |||
| CHEMBL4865965 | 185730 | 0 | None | 2290 | 4 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 336 | 6 | 4 | 5 | 1.4 | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NCc1ccco1 | 10.1016/j.ejmech.2021.113190 | |||
| 164610648 | 184838 | 0 | None | 87 | 4 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 374 | 7 | 4 | 4 | 2.4 | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NC[C@H](C)c1ccccc1 | 10.1016/j.ejmech.2021.113190 | |||
| CHEMBL4852212 | 184838 | 0 | None | 87 | 4 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 374 | 7 | 4 | 4 | 2.4 | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NC[C@H](C)c1ccccc1 | 10.1016/j.ejmech.2021.113190 | |||
| 44334025 | 4547 | 0 | None | -269 | 3 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 462 | 10 | 1 | 5 | 3.8 | O=C(c1ccc(OCCCN2CC[C@H](NS(=O)(=O)c3ccccc3Cl)C2)cc1)C1CC1 | 10.1016/s0960-894x(02)00685-6 | |||
| CHEMBL102384 | 4547 | 0 | None | -269 | 3 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 462 | 10 | 1 | 5 | 3.8 | O=C(c1ccc(OCCCN2CC[C@H](NS(=O)(=O)c3ccccc3Cl)C2)cc1)C1CC1 | 10.1016/s0960-894x(02)00685-6 | |||
| 44334781 | 5406 | 0 | None | -346 | 3 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 458 | 11 | 1 | 6 | 3.1 | COc1ccc(S(=O)(=O)N[C@H]2CCN(CCCOc3ccc(C(=O)C4CC4)cc3)C2)cc1 | 10.1016/s0960-894x(02)00685-6 | |||
| CHEMBL107162 | 5406 | 0 | None | -346 | 3 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 458 | 11 | 1 | 6 | 3.1 | COc1ccc(S(=O)(=O)N[C@H]2CCN(CCCOc3ccc(C(=O)C4CC4)cc3)C2)cc1 | 10.1016/s0960-894x(02)00685-6 | |||
| 33630 | 178957 | 99 | None | -13 | 28 | Human | 6.0 | pKi | = | 6 | 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 | -13 | 28 | Human | 6.0 | pKi | = | 6 | 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 | |||
| 4023 | 198 | 24 | None | -3467 | 4 | Human | 5.0 | pKi | = | 5 | Binding | ChEMBL | 349 | 7 | 0 | 4 | 3.6 | N#Cc1ccc(cc1)c1ccc(cc1)OCCCN1CC[C@H](C1)N(C)C | 10.1016/s0960-894x(02)00648-0 | |||
| 9884746 | 198 | 24 | None | -3467 | 4 | Human | 5.0 | pKi | = | 5 | Binding | ChEMBL | 349 | 7 | 0 | 4 | 3.6 | N#Cc1ccc(cc1)c1ccc(cc1)OCCCN1CC[C@H](C1)N(C)C | 10.1016/s0960-894x(02)00648-0 | |||
| CHEMBL319000 | 198 | 24 | None | -3467 | 4 | Human | 5.0 | pKi | = | 5 | Binding | ChEMBL | 349 | 7 | 0 | 4 | 3.6 | N#Cc1ccc(cc1)c1ccc(cc1)OCCCN1CC[C@H](C1)N(C)C | 10.1016/s0960-894x(02)00648-0 | |||
| 44335456 | 4553 | 0 | None | -316 | 4 | Human | 5.0 | pKi | = | 5 | Binding | ChEMBL | 336 | 6 | 1 | 4 | 3.5 | N#Cc1ccc(-c2ccc(OCCCN3CCC(O)CC3)cc2)cc1 | 10.1016/s0960-894x(02)00648-0 | |||
| CHEMBL102416 | 4553 | 0 | None | -316 | 4 | Human | 5.0 | pKi | = | 5 | Binding | ChEMBL | 336 | 6 | 1 | 4 | 3.5 | N#Cc1ccc(-c2ccc(OCCCN3CCC(O)CC3)cc2)cc1 | 10.1016/s0960-894x(02)00648-0 | |||
| 10268636 | 5283 | 0 | None | -1174 | 4 | Human | 5.0 | pKi | = | 5 | Binding | ChEMBL | 335 | 7 | 1 | 4 | 3.3 | CN[C@@H]1CCN(CCCOc2ccc(-c3ccc(C#N)cc3)cc2)C1 | 10.1016/s0960-894x(02)00648-0 | |||
| CHEMBL106545 | 5283 | 0 | None | -1174 | 4 | Human | 5.0 | pKi | = | 5 | Binding | ChEMBL | 335 | 7 | 1 | 4 | 3.3 | CN[C@@H]1CCN(CCCOc2ccc(-c3ccc(C#N)cc3)cc2)C1 | 10.1016/s0960-894x(02)00648-0 | |||
| 44304327 | 200882 | 0 | None | -2511 | 3 | Human | 5.0 | pKi | = | 5 | Binding | ChEMBL | 535 | 11 | 1 | 6 | 4.3 | CC(C)(C)OC(=O)N[C@H](Cc1ccccc1)C(=O)N1CCN(CCCOc2ccc(C(=O)C3CC3)cc2)CC1 | 10.1016/s0960-894x(02)00310-4 | |||
| CHEMBL60143 | 200882 | 0 | None | -2511 | 3 | Human | 5.0 | pKi | = | 5 | Binding | ChEMBL | 535 | 11 | 1 | 6 | 4.3 | CC(C)(C)OC(=O)N[C@H](Cc1ccccc1)C(=O)N1CCN(CCCOc2ccc(C(=O)C3CC3)cc2)CC1 | 10.1016/s0960-894x(02)00310-4 | |||
| 44304295 | 202869 | 0 | None | -2290 | 3 | Human | 5.0 | pKi | = | 5 | Binding | ChEMBL | 357 | 8 | 1 | 5 | 1.5 | O=C1C[C@@H](N2CCN(CCCOc3ccc(C(=O)C4CC4)cc3)CC2)N1 | 10.1016/s0960-894x(02)00310-4 | |||
| CHEMBL62596 | 202869 | 0 | None | -2290 | 3 | Human | 5.0 | pKi | = | 5 | Binding | ChEMBL | 357 | 8 | 1 | 5 | 1.5 | O=C1C[C@@H](N2CCN(CCCOc3ccc(C(=O)C4CC4)cc3)CC2)N1 | 10.1016/s0960-894x(02)00310-4 | |||
| 44304331 | 203121 | 0 | None | -2187 | 3 | Human | 5.0 | pKi | = | 5 | Binding | ChEMBL | 449 | 11 | 1 | 5 | 3.2 | N[C@H](CCc1ccccc1)C(=O)N1CCN(CCCOc2ccc(C(=O)C3CC3)cc2)CC1 | 10.1016/s0960-894x(02)00310-4 | |||
| CHEMBL64059 | 203121 | 0 | None | -2187 | 3 | Human | 5.0 | pKi | = | 5 | Binding | ChEMBL | 449 | 11 | 1 | 5 | 3.2 | N[C@H](CCc1ccccc1)C(=O)N1CCN(CCCOc2ccc(C(=O)C3CC3)cc2)CC1 | 10.1016/s0960-894x(02)00310-4 | |||
| 44275807 | 98970 | 0 | None | -9120 | 10 | Human | 5.0 | pKi | = | 5 | 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 | -9120 | 10 | Human | 5.0 | pKi | = | 5 | 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 | |||
| 10422468 | 204158 | 0 | None | -501 | 3 | Human | 5.0 | pKi | = | 5 | Binding | ChEMBL | 254 | 7 | 3 | 2 | 2.4 | CC(C)/N=C(\S)NCCCCCc1c[nH]cn1 | 10.1021/jm00012a025 | |||
| CHEMBL70603 | 204158 | 0 | None | -501 | 3 | Human | 5.0 | pKi | = | 5 | Binding | ChEMBL | 254 | 7 | 3 | 2 | 2.4 | CC(C)/N=C(\S)NCCCCCc1c[nH]cn1 | 10.1021/jm00012a025 | |||
| 10466840 | 204481 | 0 | None | -1000 | 4 | Human | 5.0 | pKi | = | 5 | Binding | ChEMBL | 240 | 7 | 3 | 2 | 2.0 | CC/N=C(\S)NCCCCCc1c[nH]cn1 | 10.1021/jm00012a025 | |||
| CHEMBL72424 | 204481 | 0 | None | -1000 | 4 | Human | 5.0 | pKi | = | 5 | Binding | ChEMBL | 240 | 7 | 3 | 2 | 2.0 | CC/N=C(\S)NCCCCCc1c[nH]cn1 | 10.1021/jm00012a025 | |||
| 9990475 | 56477 | 0 | None | -3 | 3 | Human | 5.0 | pKi | = | 5 | Binding | ChEMBL | 205 | 2 | 2 | 3 | -0.5 | Cc1nc(N)[se]c1CCN | 10.1016/j.bmcl.2010.10.041 | |||
| CHEMBL1632408 | 56477 | 0 | None | -3 | 3 | Human | 5.0 | pKi | = | 5 | Binding | ChEMBL | 205 | 2 | 2 | 3 | -0.5 | Cc1nc(N)[se]c1CCN | 10.1016/j.bmcl.2010.10.041 | |||
| CHEMBL2448450 | 56477 | 0 | None | -3 | 3 | Human | 5.0 | pKi | = | 5 | Binding | ChEMBL | 205 | 2 | 2 | 3 | -0.5 | Cc1nc(N)[se]c1CCN | 10.1016/j.bmcl.2010.10.041 | |||
| 10466840 | 204481 | 0 | None | -1000 | 4 | Human | 5.0 | pKi | = | 5 | Binding | ChEMBL | 240 | 7 | 3 | 2 | 2.0 | CC/N=C(\S)NCCCCCc1c[nH]cn1 | 10.1016/j.bmcl.2010.10.041 | |||
| CHEMBL72424 | 204481 | 0 | None | -1000 | 4 | Human | 5.0 | pKi | = | 5 | Binding | ChEMBL | 240 | 7 | 3 | 2 | 2.0 | CC/N=C(\S)NCCCCCc1c[nH]cn1 | 10.1016/j.bmcl.2010.10.041 | |||
| 44334252 | 4548 | 0 | None | -323 | 3 | Human | 4.0 | pKi | = | 4 | Binding | ChEMBL | 449 | 10 | 3 | 7 | 1.7 | CC(=O)c1ccc(OCCCN2CC[C@H](NC(=O)[C@@H](CO)NC(=O)OC(C)(C)C)C2)cc1 | 10.1016/s0960-894x(02)00685-6 | |||
| CHEMBL102390 | 4548 | 0 | None | -323 | 3 | Human | 4.0 | pKi | = | 4 | Binding | ChEMBL | 449 | 10 | 3 | 7 | 1.7 | CC(=O)c1ccc(OCCCN2CC[C@H](NC(=O)[C@@H](CO)NC(=O)OC(C)(C)C)C2)cc1 | 10.1016/s0960-894x(02)00685-6 | |||
| 44335350 | 5080 | 0 | None | -389 | 3 | Human | 4.0 | pKi | = | 4 | Binding | ChEMBL | 398 | 8 | 0 | 5 | 3.9 | CCOC(=O)N1CCN(CCCOc2ccc(-c3ccc(OC)cc3)cc2)CC1 | 10.1016/s0960-894x(02)00648-0 | |||
| CHEMBL105483 | 5080 | 0 | None | -389 | 3 | Human | 4.0 | pKi | = | 4 | Binding | ChEMBL | 398 | 8 | 0 | 5 | 3.9 | CCOC(=O)N1CCN(CCCOc2ccc(-c3ccc(OC)cc3)cc2)CC1 | 10.1016/s0960-894x(02)00648-0 | |||
| 44304211 | 102197 | 0 | None | -19054 | 3 | Human | 4.0 | pKi | = | 4 | Binding | ChEMBL | 373 | 9 | 1 | 5 | 1.9 | CC[C@@H](N)C(=O)N1CCN(CCCOc2ccc(C(=O)C3CC3)cc2)CC1 | 10.1016/s0960-894x(02)00310-4 | |||
| CHEMBL302829 | 102197 | 0 | None | -19054 | 3 | Human | 4.0 | pKi | = | 4 | Binding | ChEMBL | 373 | 9 | 1 | 5 | 1.9 | CC[C@@H](N)C(=O)N1CCN(CCCOc2ccc(C(=O)C3CC3)cc2)CC1 | 10.1016/s0960-894x(02)00310-4 | |||
| 10451094 | 202473 | 0 | None | -199526 | 3 | Human | 4.0 | pKi | = | 4 | Binding | ChEMBL | 359 | 9 | 1 | 5 | 1.5 | NCCC(=O)N1CCN(CCCOc2ccc(C(=O)C3CC3)cc2)CC1 | 10.1016/s0960-894x(02)00310-4 | |||
| CHEMBL61120 | 202473 | 0 | None | -199526 | 3 | Human | 4.0 | pKi | = | 4 | Binding | ChEMBL | 359 | 9 | 1 | 5 | 1.5 | NCCC(=O)N1CCN(CCCOc2ccc(C(=O)C3CC3)cc2)CC1 | 10.1016/s0960-894x(02)00310-4 | |||
| 29298 | 203450 | 1 | None | -1047 | 4 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 297 | 5 | 1 | 3 | 3.9 | CN(C)CCCNc1c2c(nc3ccccc13)CCCCC2 | 10.1016/s0960-894x(03)00356-1 | |||
| CHEMBL65849 | 203450 | 1 | None | -1047 | 4 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 297 | 5 | 1 | 3 | 3.9 | CN(C)CCCNc1c2c(nc3ccccc13)CCCCC2 | 10.1016/s0960-894x(03)00356-1 | |||
| 164614645 | 185132 | 0 | None | 57 | 4 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 402 | 8 | 4 | 4 | 3.0 | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NCC(c1ccccc1)C(C)C | 10.1016/j.ejmech.2021.113190 | |||
| CHEMBL4856572 | 185132 | 0 | None | 57 | 4 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 402 | 8 | 4 | 4 | 3.0 | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NCC(c1ccccc1)C(C)C | 10.1016/j.ejmech.2021.113190 | |||
| 164622886 | 185942 | 0 | None | 93 | 4 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 374 | 7 | 4 | 4 | 2.4 | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NC[C@@H](C)c1ccccc1 | 10.1016/j.ejmech.2021.113190 | |||
| CHEMBL4869389 | 185942 | 0 | None | 93 | 4 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 374 | 7 | 4 | 4 | 2.4 | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NC[C@@H](C)c1ccccc1 | 10.1016/j.ejmech.2021.113190 | |||
| 1588 | 2325 | 27 | None | -223 | 44 | Human | 6.0 | pKi | = | 6.0 | 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 | -223 | 44 | Human | 6.0 | pKi | = | 6.0 | 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 | -223 | 44 | Human | 6.0 | pKi | = | 6.0 | 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 | -223 | 44 | Human | 6.0 | pKi | = | 6.0 | 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 | -223 | 44 | Human | 6.0 | pKi | = | 6.0 | 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 | |||
| 10069595 | 203128 | 0 | None | -3235 | 3 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 400 | 11 | 0 | 4 | 4.2 | CCCCCC(=O)c1ccc(OCCCN2CCN(C(=O)C3CCC3)CC2)cc1 | 10.1016/s0960-894x(02)00309-8 | |||
| CHEMBL64100 | 203128 | 0 | None | -3235 | 3 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 400 | 11 | 0 | 4 | 4.2 | CCCCCC(=O)c1ccc(OCCCN2CCN(C(=O)C3CCC3)CC2)cc1 | 10.1016/s0960-894x(02)00309-8 | |||
| 44304318 | 203261 | 0 | None | -1584 | 3 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 373 | 9 | 1 | 5 | 1.8 | C[C@@H](CN)C(=O)N1CCN(CCCOc2ccc(C(=O)C3CC3)cc2)CC1 | 10.1016/s0960-894x(02)00310-4 | |||
| CHEMBL64608 | 203261 | 0 | None | -1584 | 3 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 373 | 9 | 1 | 5 | 1.8 | C[C@@H](CN)C(=O)N1CCN(CCCOc2ccc(C(=O)C3CC3)cc2)CC1 | 10.1016/s0960-894x(02)00310-4 | |||
| 112936251 | 137266 | 1 | None | -10 | 4 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 359 | 5 | 1 | 5 | 3.5 | CN1CCN(c2cc(-c3ccccc3)nc(NCc3ccccc3)n2)CC1 | 10.1016/j.bmcl.2015.12.035 | |||
| CHEMBL3752085 | 137266 | 1 | None | -10 | 4 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 359 | 5 | 1 | 5 | 3.5 | CN1CCN(c2cc(-c3ccccc3)nc(NCc3ccccc3)n2)CC1 | 10.1016/j.bmcl.2015.12.035 | |||
| 127052293 | 140238 | 3 | None | -218 | 4 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 368 | 7 | 3 | 4 | 3.1 | N#C/N=C(/NCCSc1ccccc1)NC[C@H]1CC[C@H](c2c[nH]cn2)C1 | 10.1021/acs.jmedchem.6b00120 | |||
| CHEMBL3805361 | 140238 | 3 | None | -218 | 4 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 368 | 7 | 3 | 4 | 3.1 | N#C/N=C(/NCCSc1ccccc1)NC[C@H]1CC[C@H](c2c[nH]cn2)C1 | 10.1021/acs.jmedchem.6b00120 | |||
| 176 | 398 | 66 | None | -6 | 31 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 645 | 11 | 0 | 4 | 6.9 | CCCCc1oc2c(c1C(=O)c1cc(I)c(c(c1)I)OCCN(CC)CC)cccc2 | nan | |||
| 2157 | 398 | 66 | None | -6 | 31 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 645 | 11 | 0 | 4 | 6.9 | CCCCc1oc2c(c1C(=O)c1cc(I)c(c(c1)I)OCCN(CC)CC)cccc2 | nan | |||
| 2566 | 398 | 66 | None | -6 | 31 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 645 | 11 | 0 | 4 | 6.9 | CCCCc1oc2c(c1C(=O)c1cc(I)c(c(c1)I)OCCN(CC)CC)cccc2 | nan | |||
| CHEMBL633 | 398 | 66 | None | -6 | 31 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 645 | 11 | 0 | 4 | 6.9 | CCCCc1oc2c(c1C(=O)c1cc(I)c(c(c1)I)OCCN(CC)CC)cccc2 | nan | |||
| DB01118 | 398 | 66 | None | -6 | 31 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 645 | 11 | 0 | 4 | 6.9 | CCCCc1oc2c(c1C(=O)c1cc(I)c(c(c1)I)OCCN(CC)CC)cccc2 | nan | |||
| 164627189 | 186321 | 0 | None | 275 | 4 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 298 | 6 | 4 | 4 | 1.0 | CCCNC(=O)/N=C(\N)NCCCc1sc(N)nc1C | 10.1016/j.ejmech.2021.113190 | |||
| CHEMBL4874758 | 186321 | 0 | None | 275 | 4 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 298 | 6 | 4 | 4 | 1.0 | CCCNC(=O)/N=C(\N)NCCCc1sc(N)nc1C | 10.1016/j.ejmech.2021.113190 | |||
| 168294776 | 193026 | 0 | None | -7 | 4 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 366 | 7 | 3 | 4 | 2.6 | Cc1nnc(CCCN/C(N)=N/C(=O)NCC(C)C2CCCCC2)s1 | 10.1021/acs.jmedchem.1c00692 | |||
| CHEMBL5209479 | 193026 | 0 | None | -7 | 4 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 366 | 7 | 3 | 4 | 2.6 | Cc1nnc(CCCN/C(N)=N/C(=O)NCC(C)C2CCCCC2)s1 | 10.1021/acs.jmedchem.1c00692 | |||
| CHEMBL5222831 | 193026 | 0 | None | -7 | 4 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 366 | 7 | 3 | 4 | 2.6 | Cc1nnc(CCCN/C(N)=N/C(=O)NCC(C)C2CCCCC2)s1 | 10.1021/acs.jmedchem.1c00692 | |||
| 168294445 | 193010 | 0 | None | -1 | 4 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 414 | 6 | 4 | 4 | 2.6 | Cc1ccc(CC(C)CNC(=O)/N=C(\N)NCC2CCc3nc(N)sc3C2)cc1 | 10.1021/acs.jmedchem.1c00692 | |||
| CHEMBL5208113 | 193010 | 0 | None | -1 | 4 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 414 | 6 | 4 | 4 | 2.6 | Cc1ccc(CC(C)CNC(=O)/N=C(\N)NCC2CCc3nc(N)sc3C2)cc1 | 10.1021/acs.jmedchem.1c00692 | |||
| CHEMBL5222768 | 193010 | 0 | None | -1 | 4 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 414 | 6 | 4 | 4 | 2.6 | Cc1ccc(CC(C)CNC(=O)/N=C(\N)NCC2CCc3nc(N)sc3C2)cc1 | 10.1021/acs.jmedchem.1c00692 | |||
| 44304320 | 163274 | 0 | None | -4265 | 3 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 373 | 9 | 1 | 5 | 1.9 | CC[C@H](N)C(=O)N1CCN(CCCOc2ccc(C(=O)C3CC3)cc2)CC1 | 10.1016/s0960-894x(02)00310-4 | |||
| CHEMBL418666 | 163274 | 0 | None | -4265 | 3 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 373 | 9 | 1 | 5 | 1.9 | CC[C@H](N)C(=O)N1CCN(CCCOc2ccc(C(=O)C3CC3)cc2)CC1 | 10.1016/s0960-894x(02)00310-4 | |||
| 44304319 | 202634 | 0 | None | -1202 | 3 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 373 | 9 | 1 | 5 | 1.8 | C[C@H](CN)C(=O)N1CCN(CCCOc2ccc(C(=O)C3CC3)cc2)CC1 | 10.1016/s0960-894x(02)00310-4 | |||
| CHEMBL61288 | 202634 | 0 | None | -1202 | 3 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 373 | 9 | 1 | 5 | 1.8 | C[C@H](CN)C(=O)N1CCN(CCCOc2ccc(C(=O)C3CC3)cc2)CC1 | 10.1016/s0960-894x(02)00310-4 | |||
| 44304494 | 202992 | 0 | None | -8709 | 3 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 489 | 12 | 1 | 6 | 4.3 | CCCCCC(=O)c1ccc(OCCCN2CCN(C(=O)[C@@H](C)NC(=O)OC(C)(C)C)CC2)cc1 | 10.1016/s0960-894x(02)00310-4 | |||
| CHEMBL63125 | 202992 | 0 | None | -8709 | 3 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 489 | 12 | 1 | 6 | 4.3 | CCCCCC(=O)c1ccc(OCCCN2CCN(C(=O)[C@@H](C)NC(=O)OC(C)(C)C)CC2)cc1 | 10.1016/s0960-894x(02)00310-4 | |||
| 132060746 | 163070 | 0 | None | -6 | 5 | Human | 6.0 | pKi | = | 6.0 | 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 | -6 | 5 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 405 | 4 | 0 | 4 | 4.4 | O=C(OCc1ccccc1)N1Cc2ccc(N3CCN(C4CCCC4)CC3)cc2C1 | 10.1016/j.ejmech.2018.02.024 | |||
| 124087 | 1389 | 114 | None | -29 | 15 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 310 | 0 | 1 | 2 | 4.0 | Clc1ccc2c(c1)CCc1c(C2=C2CCNCC2)nccc1 | nan | |||
| 7157 | 1389 | 114 | None | -29 | 15 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 310 | 0 | 1 | 2 | 4.0 | Clc1ccc2c(c1)CCc1c(C2=C2CCNCC2)nccc1 | nan | |||
| 814 | 1389 | 114 | None | -29 | 15 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 310 | 0 | 1 | 2 | 4.0 | Clc1ccc2c(c1)CCc1c(C2=C2CCNCC2)nccc1 | nan | |||
| CHEMBL1172 | 1389 | 114 | None | -29 | 15 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 310 | 0 | 1 | 2 | 4.0 | Clc1ccc2c(c1)CCc1c(C2=C2CCNCC2)nccc1 | nan | |||
| DB00967 | 1389 | 114 | None | -29 | 15 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 310 | 0 | 1 | 2 | 4.0 | Clc1ccc2c(c1)CCc1c(C2=C2CCNCC2)nccc1 | nan | |||
| 168284289 | 192906 | 0 | None | 1 | 4 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 428 | 8 | 4 | 4 | 3.1 | CC(CCCc1ccccc1)CNC(=O)/N=C(\N)NCC1CCc2nc(N)sc2C1 | 10.1021/acs.jmedchem.1c00692 | |||
| CHEMBL5194860 | 192906 | 0 | None | 1 | 4 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 428 | 8 | 4 | 4 | 3.1 | CC(CCCc1ccccc1)CNC(=O)/N=C(\N)NCC1CCc2nc(N)sc2C1 | 10.1021/acs.jmedchem.1c00692 | |||
| CHEMBL5222123 | 192906 | 0 | None | 1 | 4 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 428 | 8 | 4 | 4 | 3.1 | CC(CCCc1ccccc1)CNC(=O)/N=C(\N)NCC1CCc2nc(N)sc2C1 | 10.1021/acs.jmedchem.1c00692 | |||
| 44304211 | 102197 | 0 | None | -19054 | 3 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 373 | 9 | 1 | 5 | 1.9 | CC[C@@H](N)C(=O)N1CCN(CCCOc2ccc(C(=O)C3CC3)cc2)CC1 | 10.1016/s0960-894x(02)00310-4 | |||
| CHEMBL302829 | 102197 | 0 | None | -19054 | 3 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 373 | 9 | 1 | 5 | 1.9 | CC[C@@H](N)C(=O)N1CCN(CCCOc2ccc(C(=O)C3CC3)cc2)CC1 | 10.1016/s0960-894x(02)00310-4 | |||
| 132060752 | 162926 | 0 | None | -3 | 4 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 437 | 7 | 0 | 6 | 3.4 | CCOC(=O)CCN1CCN(c2ccc3c(c2)CN(C(=O)OCc2ccccc2)C3)CC1 | 10.1016/j.ejmech.2018.02.024 | |||
| CHEMBL4174189 | 162926 | 0 | None | -3 | 4 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 437 | 7 | 0 | 6 | 3.4 | CCOC(=O)CCN1CCN(c2ccc3c(c2)CN(C(=O)OCc2ccccc2)C3)CC1 | 10.1016/j.ejmech.2018.02.024 | |||
| CHEMBL5085542 | 214972 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | None | None | None | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NCCCCCCCC[n+]1c(C)cc(/C=C/C=C/c2ccc(N(C)C)cc2)cc1C | 10.1016/j.bmcl.2021.128388 | |||||
| 164626370 | 186473 | 0 | None | 1 | 6 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 338 | 6 | 4 | 4 | 1.8 | CCCCCCNC(=O)/N=C(\N)NC1CCc2nc(N)sc2C1 | 10.1016/j.ejmech.2021.113190 | |||
| CHEMBL4876799 | 186473 | 0 | None | 1 | 6 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 338 | 6 | 4 | 4 | 1.8 | CCCCCCNC(=O)/N=C(\N)NC1CCc2nc(N)sc2C1 | 10.1016/j.ejmech.2021.113190 | |||
| 44304382 | 203302 | 0 | None | -1174 | 3 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 403 | 11 | 1 | 4 | 4.0 | CCCCCC(=O)c1ccc(OCCCN2CCN(C(=O)NC(C)C)CC2)cc1 | 10.1016/s0960-894x(02)00309-8 | |||
| CHEMBL64773 | 203302 | 0 | None | -1174 | 3 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 403 | 11 | 1 | 4 | 4.0 | CCCCCC(=O)c1ccc(OCCCN2CCN(C(=O)NC(C)C)CC2)cc1 | 10.1016/s0960-894x(02)00309-8 | |||
| 11057 | 176149 | 23 | None | -2 | 20 | Human | 6.0 | pKi | = | 6.0 | 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 | -2 | 20 | Human | 6.0 | pKi | = | 6.0 | 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 | -2 | 20 | Human | 6.0 | pKi | = | 6.0 | 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 | -2 | 20 | Human | 6.0 | pKi | = | 6.0 | 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 | |||
| 164616851 | 184950 | 0 | None | -1 | 5 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 376 | 6 | 4 | 4 | 2.5 | Cc1nc(N)sc1CCCN/C(N)=N/C(=S)N[C@H](C)c1ccccc1 | 10.1016/j.ejmech.2021.113190 | |||
| CHEMBL4853772 | 184950 | 0 | None | -1 | 5 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 376 | 6 | 4 | 4 | 2.5 | Cc1nc(N)sc1CCCN/C(N)=N/C(=S)N[C@H](C)c1ccccc1 | 10.1016/j.ejmech.2021.113190 | |||
| 2286 | 3183 | 51 | None | -26 | 30 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 284 | 3 | 0 | 3 | 4.2 | CN(C(CN1c2ccccc2Sc2c1cccc2)C)C | nan | |||
| 4927 | 3183 | 51 | None | -26 | 30 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 284 | 3 | 0 | 3 | 4.2 | CN(C(CN1c2ccccc2Sc2c1cccc2)C)C | nan | |||
| 7282 | 3183 | 51 | None | -26 | 30 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 284 | 3 | 0 | 3 | 4.2 | CN(C(CN1c2ccccc2Sc2c1cccc2)C)C | nan | |||
| CHEMBL643 | 3183 | 51 | None | -26 | 30 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 284 | 3 | 0 | 3 | 4.2 | CN(C(CN1c2ccccc2Sc2c1cccc2)C)C | nan | |||
| DB01069 | 3183 | 51 | None | -26 | 30 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 284 | 3 | 0 | 3 | 4.2 | CN(C(CN1c2ccccc2Sc2c1cccc2)C)C | nan | |||
| 1353 | 1911 | 93 | None | -131 | 83 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | nan | |||
| 3559 | 1911 | 93 | None | -131 | 83 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | nan | |||
| 86 | 1911 | 93 | None | -131 | 83 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | nan | |||
| CHEMBL54 | 1911 | 93 | None | -131 | 83 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | nan | |||
| DB00502 | 1911 | 93 | None | -131 | 83 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | nan | |||
| 164612760 | 184718 | 0 | None | 38 | 4 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 390 | 7 | 4 | 4 | 2.5 | Cc1nc(N)sc1CCCN/C(N)=N/C(=S)NC[C@H](C)c1ccccc1 | 10.1016/j.ejmech.2021.113190 | |||
| CHEMBL4850490 | 184718 | 0 | None | 38 | 4 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 390 | 7 | 4 | 4 | 2.5 | Cc1nc(N)sc1CCCN/C(N)=N/C(=S)NC[C@H](C)c1ccccc1 | 10.1016/j.ejmech.2021.113190 | |||
| 44582678 | 181574 | 0 | None | -7 | 10 | Human | 5.9 | pKi | = | 5.9 | 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 | -7 | 10 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 401 | 9 | 1 | 4 | 4.3 | COc1c(OCCF)cccc1C(O)C1CCN(CCc2ccc(C)cc2)CC1 | 10.1016/j.bmc.2009.03.021 | |||
| 73353884 | 92322 | 0 | None | 2 | 8 | Human | 5.9 | pKi | = | 5.9 | 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 | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 295 | 3 | 1 | 3 | 2.7 | c1cc2c(cc1CN[C@H]1C3C4CC5C6C4CC3C6C51)OCO2 | 10.1016/j.bmc.2013.07.045 | |||
| 44304245 | 203328 | 0 | None | -2884 | 3 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 425 | 11 | 0 | 5 | 4.0 | CCCCCC(=O)c1ccc(OCCCN2CCN(C(=O)c3cccn3C)CC2)cc1 | 10.1016/s0960-894x(02)00309-8 | |||
| CHEMBL64884 | 203328 | 0 | None | -2884 | 3 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 425 | 11 | 0 | 5 | 4.0 | CCCCCC(=O)c1ccc(OCCCN2CCN(C(=O)c3cccn3C)CC2)cc1 | 10.1016/s0960-894x(02)00309-8 | |||
| 44335559 | 109709 | 0 | None | -6918 | 4 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 334 | 6 | 0 | 3 | 4.7 | CC1CCCN(CCCOc2ccc(-c3ccc(C#N)cc3)cc2)C1 | 10.1016/s0960-894x(02)00648-0 | |||
| CHEMBL322873 | 109709 | 0 | None | -6918 | 4 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 334 | 6 | 0 | 3 | 4.7 | CC1CCCN(CCCOc2ccc(-c3ccc(C#N)cc3)cc2)C1 | 10.1016/s0960-894x(02)00648-0 | |||
| 1201549 | 597 | 24 | None | -74 | 20 | Human | 5.9 | pKi | = | 5.9 | 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 | -74 | 20 | Human | 5.9 | pKi | = | 5.9 | 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 | -74 | 20 | Human | 5.9 | pKi | = | 5.9 | 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 | -74 | 20 | Human | 5.9 | pKi | = | 5.9 | 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 | -74 | 20 | Human | 5.9 | pKi | = | 5.9 | 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 | -74 | 20 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 307 | 4 | 0 | 2 | 4.4 | CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(c1ccccc1)c1ccccc1 | nan | |||
| 168295541 | 193040 | 0 | None | -851 | 6 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 347 | 6 | 4 | 5 | 1.4 | C[C@@H](NC(=O)/N=C(\N)NCCCc1nnc(N)s1)c1ccccc1 | 10.1021/acs.jmedchem.1c00692 | |||
| CHEMBL5208845 | 193040 | 0 | None | -851 | 6 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 347 | 6 | 4 | 5 | 1.4 | C[C@@H](NC(=O)/N=C(\N)NCCCc1nnc(N)s1)c1ccccc1 | 10.1021/acs.jmedchem.1c00692 | |||
| CHEMBL5222926 | 193040 | 0 | None | -851 | 6 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 347 | 6 | 4 | 5 | 1.4 | C[C@@H](NC(=O)/N=C(\N)NCCCc1nnc(N)s1)c1ccccc1 | 10.1021/acs.jmedchem.1c00692 | |||
| 44334430 | 4454 | 0 | None | -398 | 3 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 428 | 10 | 1 | 5 | 3.1 | O=C(c1ccc(OCCCN2CC[C@H](NS(=O)(=O)c3ccccc3)C2)cc1)C1CC1 | 10.1016/s0960-894x(02)00685-6 | |||
| CHEMBL101691 | 4454 | 0 | None | -398 | 3 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 428 | 10 | 1 | 5 | 3.1 | O=C(c1ccc(OCCCN2CC[C@H](NS(=O)(=O)c3ccccc3)C2)cc1)C1CC1 | 10.1016/s0960-894x(02)00685-6 | |||
| 44304457 | 203213 | 0 | None | -3981 | 3 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 376 | 10 | 0 | 5 | 3.6 | CCCCCC(=O)c1ccc(OCCCN2CCN(C(=O)OC)CC2)cc1 | 10.1016/s0960-894x(02)00309-8 | |||
| CHEMBL64408 | 203213 | 0 | None | -3981 | 3 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 376 | 10 | 0 | 5 | 3.6 | CCCCCC(=O)c1ccc(OCCCN2CCN(C(=O)OC)CC2)cc1 | 10.1016/s0960-894x(02)00309-8 | |||
| 44304431 | 202941 | 0 | None | -512 | 3 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 566 | 14 | 1 | 7 | 4.9 | CCCCCC(=O)c1ccc(OCCCN2CCN(C(=O)[C@@H](Cc3ccncc3)NC(=O)OC(C)(C)C)CC2)cc1 | 10.1016/s0960-894x(02)00310-4 | |||
| CHEMBL62903 | 202941 | 0 | None | -512 | 3 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 566 | 14 | 1 | 7 | 4.9 | CCCCCC(=O)c1ccc(OCCCN2CCN(C(=O)[C@@H](Cc3ccncc3)NC(=O)OC(C)(C)C)CC2)cc1 | 10.1016/s0960-894x(02)00310-4 | |||
| 1212 | 1662 | 50 | None | -323 | 65 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | nan | |||
| 204 | 1662 | 50 | None | -323 | 65 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | nan | |||
| 3372 | 1662 | 50 | None | -323 | 65 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | nan | |||
| CHEMBL726 | 1662 | 50 | None | -323 | 65 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | nan | |||
| DB00623 | 1662 | 50 | None | -323 | 65 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | nan | |||
| 9872676 | 78195 | 0 | None | -3090 | 16 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 565 | 11 | 2 | 10 | 4.8 | COc1nc(NCCCN2CCOCC2)nc(OC)c1NC(=O)c1ccc(Oc2cc3c(cc2C)CCC3(C)C)o1 | 10.1021/jm060012g | |||
| CHEMBL210514 | 78195 | 0 | None | -3090 | 16 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 565 | 11 | 2 | 10 | 4.8 | COc1nc(NCCCN2CCOCC2)nc(OC)c1NC(=O)c1ccc(Oc2cc3c(cc2C)CCC3(C)C)o1 | 10.1021/jm060012g | |||
| 44304751 | 101023 | 0 | None | -338 | 3 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 422 | 11 | 0 | 4 | 4.7 | CCCCCC(=O)c1ccc(OCCCN2CCN(C(=O)c3ccccc3)CC2)cc1 | 10.1016/s0960-894x(02)00309-8 | |||
| CHEMBL294519 | 101023 | 0 | None | -338 | 3 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 422 | 11 | 0 | 4 | 4.7 | CCCCCC(=O)c1ccc(OCCCN2CCN(C(=O)c3ccccc3)CC2)cc1 | 10.1016/s0960-894x(02)00309-8 | |||
| 44304990 | 203062 | 0 | None | -331 | 3 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 483 | 12 | 0 | 6 | 4.1 | CCCCCC(=O)c1ccc(OCCCN2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)cc1 | 10.1016/s0960-894x(02)00309-8 | |||
| CHEMBL63632 | 203062 | 0 | None | -331 | 3 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 483 | 12 | 0 | 6 | 4.1 | CCCCCC(=O)c1ccc(OCCCN2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)cc1 | 10.1016/s0960-894x(02)00309-8 | |||
| 44335225 | 164155 | 0 | None | -812 | 4 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 347 | 6 | 1 | 4 | 3.1 | N#Cc1ccc(-c2ccc(OCCCN3CC4CNCC4C3)cc2)cc1 | 10.1016/s0960-894x(02)00648-0 | |||
| CHEMBL421026 | 164155 | 0 | None | -812 | 4 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 347 | 6 | 1 | 4 | 3.1 | N#Cc1ccc(-c2ccc(OCCCN3CC4CNCC4C3)cc2)cc1 | 10.1016/s0960-894x(02)00648-0 | |||
| 44304303 | 203329 | 0 | None | -954 | 3 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 371 | 8 | 1 | 5 | 1.6 | O=C(c1ccc(OCCCN2CCN(C(=O)[C@@H]3CCN3)CC2)cc1)C1CC1 | 10.1016/s0960-894x(02)00310-4 | |||
| CHEMBL64896 | 203329 | 0 | None | -954 | 3 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 371 | 8 | 1 | 5 | 1.6 | O=C(c1ccc(OCCCN2CCN(C(=O)[C@@H]3CCN3)CC2)cc1)C1CC1 | 10.1016/s0960-894x(02)00310-4 | |||
| 164621681 | 185580 | 0 | None | 64 | 4 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 444 | 7 | 4 | 5 | 3.2 | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NC(C)c1ccc(OC(F)(F)F)cc1 | 10.1016/j.ejmech.2021.113190 | |||
| CHEMBL4863523 | 185580 | 0 | None | 64 | 4 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 444 | 7 | 4 | 5 | 3.2 | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NC(C)c1ccc(OC(F)(F)F)cc1 | 10.1016/j.ejmech.2021.113190 | |||
| 409544 | 202914 | 4 | None | -8912 | 3 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 390 | 11 | 0 | 5 | 4.0 | CCCCCC(=O)c1ccc(OCCCN2CCN(C(=O)OCC)CC2)cc1 | 10.1016/s0960-894x(02)00309-8 | |||
| CHEMBL62803 | 202914 | 4 | None | -8912 | 3 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 390 | 11 | 0 | 5 | 4.0 | CCCCCC(=O)c1ccc(OCCCN2CCN(C(=O)OCC)CC2)cc1 | 10.1016/s0960-894x(02)00309-8 | |||
| 44304035 | 203309 | 0 | None | -181 | 3 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 410 | 9 | 0 | 5 | 3.7 | CCOC(=O)N1CCN(CCCOc2ccc(C(=O)Cc3ccccc3)cc2)CC1 | 10.1016/s0960-894x(02)00309-8 | |||
| CHEMBL64799 | 203309 | 0 | None | -181 | 3 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 410 | 9 | 0 | 5 | 3.7 | CCOC(=O)N1CCN(CCCOc2ccc(C(=O)Cc3ccccc3)cc2)CC1 | 10.1016/s0960-894x(02)00309-8 | |||
| 44304393 | 105957 | 0 | None | -128 | 3 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 517 | 13 | 1 | 6 | 4.9 | CCCCCC(=O)c1ccc(OCCCN2CCN(C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)CC2)cc1 | 10.1016/s0960-894x(02)00310-4 | |||
| CHEMBL312958 | 105957 | 0 | None | -128 | 3 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 517 | 13 | 1 | 6 | 4.9 | CCCCCC(=O)c1ccc(OCCCN2CCN(C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)CC2)cc1 | 10.1016/s0960-894x(02)00310-4 | |||
| 10039772 | 104361 | 0 | None | -501 | 3 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 288 | 7 | 3 | 2 | 3.1 | S=C(NCCCCCc1c[nH]cn1)Nc1ccccc1 | 10.1021/jm00012a025 | |||
| CHEMBL310087 | 104361 | 0 | None | -501 | 3 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 288 | 7 | 3 | 2 | 3.1 | S=C(NCCCCCc1c[nH]cn1)Nc1ccccc1 | 10.1021/jm00012a025 | |||
| 44304246 | 202651 | 0 | None | -1513 | 3 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 426 | 11 | 0 | 5 | 4.6 | CCCCCC(=O)c1ccc(OCCCN2CCN(C(=O)c3occc3C)CC2)cc1 | 10.1016/s0960-894x(02)00309-8 | |||
| CHEMBL61396 | 202651 | 0 | None | -1513 | 3 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 426 | 11 | 0 | 5 | 4.6 | CCCCCC(=O)c1ccc(OCCCN2CCN(C(=O)c3occc3C)CC2)cc1 | 10.1016/s0960-894x(02)00309-8 | |||
| 44335463 | 4455 | 0 | None | -229 | 4 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 357 | 7 | 1 | 4 | 3.2 | CCOC(=O)N1CCN(CCCOc2ccc(-c3cc[nH]c3)cc2)CC1 | 10.1016/s0960-894x(02)00648-0 | |||
| CHEMBL101692 | 4455 | 0 | None | -229 | 4 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 357 | 7 | 1 | 4 | 3.2 | CCOC(=O)N1CCN(CCCOc2ccc(-c3cc[nH]c3)cc2)CC1 | 10.1016/s0960-894x(02)00648-0 | |||
| 44335483 | 5293 | 0 | None | -426 | 4 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 336 | 6 | 1 | 4 | 3.5 | N#Cc1ccc(-c2ccc(OCCCN3CCCC(O)C3)cc2)cc1 | 10.1016/s0960-894x(02)00648-0 | |||
| CHEMBL106596 | 5293 | 0 | None | -426 | 4 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 336 | 6 | 1 | 4 | 3.5 | N#Cc1ccc(-c2ccc(OCCCN3CCCC(O)C3)cc2)cc1 | 10.1016/s0960-894x(02)00648-0 | |||
| 156017225 | 178345 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 442 | 15 | 3 | 7 | 3.1 | NCCCCCCNc1c(NCCCOc2cccc(CN3CCCCC3)c2)c(=O)c1=O | 10.1021/acsmedchemlett.0c00033 | |||
| CHEMBL4642548 | 178345 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 442 | 15 | 3 | 7 | 3.1 | NCCCCCCNc1c(NCCCOc2cccc(CN3CCCCC3)c2)c(=O)c1=O | 10.1021/acsmedchemlett.0c00033 | |||
| CHEMBL4651234 | 178345 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 442 | 15 | 3 | 7 | 3.1 | NCCCCCCNc1c(NCCCOc2cccc(CN3CCCCC3)c2)c(=O)c1=O | 10.1021/acsmedchemlett.0c00033 | |||
| 156015555 | 178312 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 456 | 16 | 3 | 7 | 3.5 | NCCCCCCCNc1c(NCCCOc2cccc(CN3CCCCC3)c2)c(=O)c1=O | 10.1021/acsmedchemlett.0c00033 | |||
| CHEMBL4644794 | 178312 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 456 | 16 | 3 | 7 | 3.5 | NCCCCCCCNc1c(NCCCOc2cccc(CN3CCCCC3)c2)c(=O)c1=O | 10.1021/acsmedchemlett.0c00033 | |||
| CHEMBL4651059 | 178312 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 456 | 16 | 3 | 7 | 3.5 | NCCCCCCCNc1c(NCCCOc2cccc(CN3CCCCC3)c2)c(=O)c1=O | 10.1021/acsmedchemlett.0c00033 | |||
| 156014823 | 178327 | 0 | None | - | 1 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 1109 | 31 | 4 | 13 | 9.2 | CC1(C)C(/C=C/C=C/C=C2\N(CCCCCC(=O)NCCCCCCNc3c(NCCCOc4cccc(CN5CCCCC5)c4)c(=O)c3=O)c3cc(S(=O)(=O)O)ccc3C2(C)C)=[N+](CCCCS(=O)(=O)[O-])c2ccccc21 | 10.1021/acsmedchemlett.0c00033 | |||
| CHEMBL4641747 | 178327 | 0 | None | - | 1 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 1109 | 31 | 4 | 13 | 9.2 | CC1(C)C(/C=C/C=C/C=C2\N(CCCCCC(=O)NCCCCCCNc3c(NCCCOc4cccc(CN5CCCCC5)c4)c(=O)c3=O)c3cc(S(=O)(=O)O)ccc3C2(C)C)=[N+](CCCCS(=O)(=O)[O-])c2ccccc21 | 10.1021/acsmedchemlett.0c00033 | |||
| CHEMBL4651132 | 178327 | 0 | None | - | 1 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 1109 | 31 | 4 | 13 | 9.2 | CC1(C)C(/C=C/C=C/C=C2\N(CCCCCC(=O)NCCCCCCNc3c(NCCCOc4cccc(CN5CCCCC5)c4)c(=O)c3=O)c3cc(S(=O)(=O)O)ccc3C2(C)C)=[N+](CCCCS(=O)(=O)[O-])c2ccccc21 | 10.1021/acsmedchemlett.0c00033 | |||
| 44304412 | 201648 | 0 | None | -912 | 3 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 517 | 13 | 1 | 6 | 4.9 | CCCCCC(=O)c1ccc(OCCCN2CCN(C(=O)[C@H](NC(=O)OC(C)(C)C)C(C)C)CC2)cc1 | 10.1016/s0960-894x(02)00310-4 | |||
| CHEMBL60598 | 201648 | 0 | None | -912 | 3 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 517 | 13 | 1 | 6 | 4.9 | CCCCCC(=O)c1ccc(OCCCN2CCN(C(=O)[C@H](NC(=O)OC(C)(C)C)C(C)C)CC2)cc1 | 10.1016/s0960-894x(02)00310-4 | |||
| 59868 | 94154 | 60 | None | -20892 | 3 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 211 | 3 | 2 | 4 | 1.6 | CCCN[C@@H]1CCc2nc(N)sc2C1 | 10.1016/j.ejmech.2021.113190 | |||
| CHEMBL249420 | 94154 | 60 | None | -20892 | 3 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 211 | 3 | 2 | 4 | 1.6 | CCCN[C@@H]1CCc2nc(N)sc2C1 | 10.1016/j.ejmech.2021.113190 | |||
| 119570 | 3159 | 96 | None | -281 | 40 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 211 | 3 | 2 | 4 | 1.6 | CCCN[C@H]1CCc2c(C1)sc(n2)N | 10.1021/acs.jmedchem.1c00692 | |||
| 2233 | 3159 | 96 | None | -281 | 40 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 211 | 3 | 2 | 4 | 1.6 | CCCN[C@H]1CCc2c(C1)sc(n2)N | 10.1021/acs.jmedchem.1c00692 | |||
| 953 | 3159 | 96 | None | -281 | 40 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 211 | 3 | 2 | 4 | 1.6 | CCCN[C@H]1CCc2c(C1)sc(n2)N | 10.1021/acs.jmedchem.1c00692 | |||
| CHEMBL301265 | 3159 | 96 | None | -281 | 40 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 211 | 3 | 2 | 4 | 1.6 | CCCN[C@H]1CCc2c(C1)sc(n2)N | 10.1021/acs.jmedchem.1c00692 | |||
| DB00413 | 3159 | 96 | None | -281 | 40 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 211 | 3 | 2 | 4 | 1.6 | CCCN[C@H]1CCc2c(C1)sc(n2)N | 10.1021/acs.jmedchem.1c00692 | |||
| 104903 | 56344 | 17 | None | -5 | 6 | Human | 4.9 | pKi | = | 4.9 | 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 | -5 | 6 | Human | 4.9 | pKi | = | 4.9 | 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 | |||
| 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 | |||||
| 1231 | 937 | 116 | None | -2 | 7 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 252 | 5 | 3 | 4 | 0.6 | N#CNC(=NC)NCCSCc1nc[nH]c1C | 10.1016/j.ejmech.2013.01.044 | |||
| 2756 | 937 | 116 | None | -2 | 7 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 252 | 5 | 3 | 4 | 0.6 | N#CNC(=NC)NCCSCc1nc[nH]c1C | 10.1016/j.ejmech.2013.01.044 | |||
| 645 | 937 | 116 | None | -2 | 7 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 252 | 5 | 3 | 4 | 0.6 | N#CNC(=NC)NCCSCc1nc[nH]c1C | 10.1016/j.ejmech.2013.01.044 | |||
| CHEMBL30 | 937 | 116 | None | -2 | 7 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 252 | 5 | 3 | 4 | 0.6 | N#CNC(=NC)NCCSCc1nc[nH]c1C | 10.1016/j.ejmech.2013.01.044 | |||
| DB00501 | 937 | 116 | None | -2 | 7 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 252 | 5 | 3 | 4 | 0.6 | N#CNC(=NC)NCCSCc1nc[nH]c1C | 10.1016/j.ejmech.2013.01.044 | |||
| 44568347 | 191651 | 0 | None | -67 | 15 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 356 | 6 | 0 | 4 | 5.2 | CCN(CC)CCCOC(=O)N1c2ccccc2Sc2ccccc21 | 10.1016/j.bmcl.2013.04.082 | |||
| CHEMBL519609 | 191651 | 0 | None | -67 | 15 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 356 | 6 | 0 | 4 | 5.2 | CCN(CC)CCCOC(=O)N1c2ccccc2Sc2ccccc21 | 10.1016/j.bmcl.2013.04.082 | |||
| 44304560 | 102763 | 0 | None | -10715 | 3 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 371 | 8 | 1 | 5 | 1.6 | O=C(c1ccc(OCCCN2CCN(C(=O)[C@H]3CCN3)CC2)cc1)C1CC1 | 10.1016/s0960-894x(02)00310-4 | |||
| CHEMBL305144 | 102763 | 0 | None | -10715 | 3 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 371 | 8 | 1 | 5 | 1.6 | O=C(c1ccc(OCCCN2CCN(C(=O)[C@H]3CCN3)CC2)cc1)C1CC1 | 10.1016/s0960-894x(02)00310-4 | |||
| 44304760 | 202901 | 0 | None | -229 | 3 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 431 | 13 | 1 | 5 | 3.7 | CCCCCC(=O)c1ccc(OCCCN2CCN(C(=O)[C@H](N)CC(C)C)CC2)cc1 | 10.1016/s0960-894x(02)00310-4 | |||
| CHEMBL62741 | 202901 | 0 | None | -229 | 3 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 431 | 13 | 1 | 5 | 3.7 | CCCCCC(=O)c1ccc(OCCCN2CCN(C(=O)[C@H](N)CC(C)C)CC2)cc1 | 10.1016/s0960-894x(02)00310-4 | |||
| 71525678 | 89725 | 0 | None | -1479 | 6 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 258 | 3 | 2 | 6 | 0.6 | CCc1cnc2c(N3CC(NC)C3)nc(N)nc2c1 | 10.1016/j.bmcl.2013.02.091 | |||
| CHEMBL2376800 | 89725 | 0 | None | -1479 | 6 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 258 | 3 | 2 | 6 | 0.6 | CCc1cnc2c(N3CC(NC)C3)nc(N)nc2c1 | 10.1016/j.bmcl.2013.02.091 | |||
| CHEMBL4748908 | 214035 | 1 | None | -1 | 12 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | None | None | None | CN1CCN(c2ccnc(NCCc3ccccc3)n2)CC1 | 10.6019/CHEMBL4800732 | |||||
| 164610824 | 185110 | 0 | None | 14 | 4 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 452 | 8 | 4 | 4 | 3.6 | Cc1nc(N)sc1CCCN/C(N)=N/C(=S)NCC(c1ccccc1)c1ccccc1 | 10.1016/j.ejmech.2021.113190 | |||
| CHEMBL4856200 | 185110 | 0 | None | 14 | 4 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 452 | 8 | 4 | 4 | 3.6 | Cc1nc(N)sc1CCCN/C(N)=N/C(=S)NCC(c1ccccc1)c1ccccc1 | 10.1016/j.ejmech.2021.113190 | |||
| 18539962 | 102131 | 0 | None | -537 | 3 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 318 | 10 | 1 | 4 | 3.1 | CCCCCC(=O)c1ccc(OCCCN2CCNCC2)cc1 | 10.1016/s0960-894x(02)00309-8 | |||
| CHEMBL302445 | 102131 | 0 | None | -537 | 3 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 318 | 10 | 1 | 4 | 3.1 | CCCCCC(=O)c1ccc(OCCCN2CCNCC2)cc1 | 10.1016/s0960-894x(02)00309-8 | |||
| 2389 | 3331 | 118 | None | -288 | 67 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | nan | |||
| 5073 | 3331 | 118 | None | -288 | 67 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | nan | |||
| 96 | 3331 | 118 | None | -288 | 67 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | nan | |||
| CHEMBL85 | 3331 | 118 | None | -288 | 67 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | nan | |||
| DB00734 | 3331 | 118 | None | -288 | 67 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | nan | |||
| 164620704 | 186083 | 0 | None | 17 | 4 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 416 | 8 | 4 | 4 | 3.5 | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NCC(C)c1ccc(C(C)C)cc1 | 10.1016/j.ejmech.2021.113190 | |||
| CHEMBL4871482 | 186083 | 0 | None | 17 | 4 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 416 | 8 | 4 | 4 | 3.5 | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NCC(C)c1ccc(C(C)C)cc1 | 10.1016/j.ejmech.2021.113190 | |||
| 44304287 | 202898 | 0 | None | -912 | 3 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 428 | 11 | 0 | 5 | 4.7 | CCCCCC(=O)c1ccc(OCCCN2CCN(C(=O)c3cccs3)CC2)cc1 | 10.1016/s0960-894x(02)00309-8 | |||
| CHEMBL62726 | 202898 | 0 | None | -912 | 3 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 428 | 11 | 0 | 5 | 4.7 | CCCCCC(=O)c1ccc(OCCCN2CCN(C(=O)c3cccs3)CC2)cc1 | 10.1016/s0960-894x(02)00309-8 | |||
| 44304310 | 203274 | 0 | None | -1995 | 3 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 415 | 10 | 0 | 4 | 4.1 | CCCCCC(=O)c1ccc(OCCCN2CCN(C(=O)N3CCCC3)CC2)cc1 | 10.1016/s0960-894x(02)00309-8 | |||
| CHEMBL64667 | 203274 | 0 | None | -1995 | 3 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 415 | 10 | 0 | 4 | 4.1 | CCCCCC(=O)c1ccc(OCCCN2CCN(C(=O)N3CCCC3)CC2)cc1 | 10.1016/s0960-894x(02)00309-8 | |||
| 44304349 | 202801 | 0 | None | -275 | 3 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 566 | 14 | 1 | 7 | 4.9 | CCCCCC(=O)c1ccc(OCCCN2CCN(C(=O)[C@H](Cc3ccncc3)NC(=O)OC(C)(C)C)CC2)cc1 | 10.1016/s0960-894x(02)00310-4 | |||
| CHEMBL62266 | 202801 | 0 | None | -275 | 3 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 566 | 14 | 1 | 7 | 4.9 | CCCCCC(=O)c1ccc(OCCCN2CCN(C(=O)[C@H](Cc3ccncc3)NC(=O)OC(C)(C)C)CC2)cc1 | 10.1016/s0960-894x(02)00310-4 | |||
| CHEMBL4748908 | 214035 | 1 | None | -1 | 12 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | None | None | None | CN1CCN(c2ccnc(NCCc3ccccc3)n2)CC1 | 10.6019/CHEMBL4800732 | |||||
| 73347825 | 92540 | 0 | None | -1 | 3 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 311 | 5 | 1 | 3 | 2.9 | COc1ccc(CN[C@H]2C3C4CC5C6C4CC3C6C52)cc1OC | 10.1016/j.bmc.2013.07.045 | |||
| CHEMBL2432046 | 92540 | 0 | None | -1 | 3 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 311 | 5 | 1 | 3 | 2.9 | COc1ccc(CN[C@H]2C3C4CC5C6C4CC3C6C52)cc1OC | 10.1016/j.bmc.2013.07.045 | |||
| 57469 | 18866 | 125 | None | -1 | 3 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 240 | 2 | 1 | 4 | 2.8 | CC(C)Cn1cnc2c(N)nc3ccccc3c21 | nan | |||
| CHEMBL1282 | 18866 | 125 | None | -1 | 3 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 240 | 2 | 1 | 4 | 2.8 | CC(C)Cn1cnc2c(N)nc3ccccc3c21 | nan | |||
| 168286426 | 192926 | 0 | None | -5 | 6 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 403 | 10 | 4 | 5 | 2.3 | CC(CCCc1ccccc1)CNC(=O)/N=C(\N)NCCCc1nnc(N)s1 | 10.1021/acs.jmedchem.1c00692 | |||
| CHEMBL5198795 | 192926 | 0 | None | -5 | 6 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 403 | 10 | 4 | 5 | 2.3 | CC(CCCc1ccccc1)CNC(=O)/N=C(\N)NCCCc1nnc(N)s1 | 10.1021/acs.jmedchem.1c00692 | |||
| CHEMBL5222241 | 192926 | 0 | None | -5 | 6 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 403 | 10 | 4 | 5 | 2.3 | CC(CCCc1ccccc1)CNC(=O)/N=C(\N)NCCCc1nnc(N)s1 | 10.1021/acs.jmedchem.1c00692 | |||
| 135156 | 177803 | 12 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 343 | 8 | 2 | 6 | 1.7 | Nc1c(NCCCOc2cccc(CN3CCCCC3)c2)c(=O)c1=O | 10.1021/acsmedchemlett.0c00033 | |||
| CHEMBL4643501 | 177803 | 12 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 343 | 8 | 2 | 6 | 1.7 | Nc1c(NCCCOc2cccc(CN3CCCCC3)c2)c(=O)c1=O | 10.1021/acsmedchemlett.0c00033 | |||
| 69355600 | 78685 | 0 | None | -3715 | 4 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 336 | 6 | 1 | 4 | 3.5 | C[C@@]1(O)CCN(CCCOc2ccc(-c3ccc(C#N)cc3)cc2)C1 | 10.1016/s0960-894x(02)00648-0 | |||
| CHEMBL2112461 | 78685 | 0 | None | -3715 | 4 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 336 | 6 | 1 | 4 | 3.5 | C[C@@]1(O)CCN(CCCOc2ccc(-c3ccc(C#N)cc3)cc2)C1 | 10.1016/s0960-894x(02)00648-0 | |||
| 44304293 | 202962 | 0 | None | -52 | 3 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 491 | 10 | 1 | 6 | 4.0 | N[C@H](Cc1cc2ccccc2s1)C(=O)N1CCN(CCCOc2ccc(C(=O)C3CC3)cc2)CC1 | 10.1016/s0960-894x(02)00310-4 | |||
| CHEMBL63002 | 202962 | 0 | None | -52 | 3 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 491 | 10 | 1 | 6 | 4.0 | N[C@H](Cc1cc2ccccc2s1)C(=O)N1CCN(CCCOc2ccc(C(=O)C3CC3)cc2)CC1 | 10.1016/s0960-894x(02)00310-4 | |||
| 168295803 | 193045 | 0 | None | 3 | 4 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 338 | 6 | 4 | 4 | 1.6 | CCCCCNC(=O)/N=C(\N)NCC1CCc2nc(N)sc2C1 | 10.1021/acs.jmedchem.1c00692 | |||
| CHEMBL5207206 | 193045 | 0 | None | 3 | 4 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 338 | 6 | 4 | 4 | 1.6 | CCCCCNC(=O)/N=C(\N)NCC1CCc2nc(N)sc2C1 | 10.1021/acs.jmedchem.1c00692 | |||
| CHEMBL5222937 | 193045 | 0 | None | 3 | 4 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 338 | 6 | 4 | 4 | 1.6 | CCCCCNC(=O)/N=C(\N)NCC1CCc2nc(N)sc2C1 | 10.1021/acs.jmedchem.1c00692 | |||
| 44304283 | 203173 | 0 | None | -117 | 3 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 452 | 8 | 0 | 5 | 4.8 | CCOC(=O)N1CCN(CCCOc2ccc(C(=O)c3ccc(C(C)(C)C)cc3)cc2)CC1 | 10.1016/s0960-894x(02)00309-8 | |||
| CHEMBL64247 | 203173 | 0 | None | -117 | 3 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 452 | 8 | 0 | 5 | 4.8 | CCOC(=O)N1CCN(CCCOc2ccc(C(=O)c3ccc(C(C)(C)C)cc3)cc2)CC1 | 10.1016/s0960-894x(02)00309-8 | |||
| 44334396 | 4916 | 0 | None | -575 | 3 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 446 | 10 | 1 | 5 | 3.2 | O=C(c1ccc(OCCCN2CC[C@H](NS(=O)(=O)c3ccccc3F)C2)cc1)C1CC1 | 10.1016/s0960-894x(02)00685-6 | |||
| CHEMBL104618 | 4916 | 0 | None | -575 | 3 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 446 | 10 | 1 | 5 | 3.2 | O=C(c1ccc(OCCCN2CC[C@H](NS(=O)(=O)c3ccccc3F)C2)cc1)C1CC1 | 10.1016/s0960-894x(02)00685-6 | |||
| 3198 | 205513 | 76 | None | -19 | 34 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 380 | 6 | 0 | 3 | 5.8 | Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1 | nan | |||
| CHEMBL1201049 | 205513 | 76 | None | -19 | 34 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 380 | 6 | 0 | 3 | 5.8 | Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1 | nan | |||
| CHEMBL808 | 205513 | 76 | None | -19 | 34 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 380 | 6 | 0 | 3 | 5.8 | Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1 | nan | |||
| 164622190 | 185616 | 0 | None | 93 | 2 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 360 | 7 | 4 | 4 | 1.8 | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NCCc1ccccc1 | 10.1016/j.ejmech.2021.113190 | |||
| CHEMBL4864067 | 185616 | 0 | None | 93 | 2 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 360 | 7 | 4 | 4 | 1.8 | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NCCc1ccccc1 | 10.1016/j.ejmech.2021.113190 | |||
| 10017820 | 204195 | 0 | None | -79 | 3 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 302 | 8 | 3 | 2 | 2.8 | S=C(NCCCCCc1c[nH]cn1)NCc1ccccc1 | 10.1021/jm00012a025 | |||
| CHEMBL70811 | 204195 | 0 | None | -79 | 3 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 302 | 8 | 3 | 2 | 2.8 | S=C(NCCCCCc1c[nH]cn1)NCc1ccccc1 | 10.1021/jm00012a025 | |||
| 9974306 | 204474 | 0 | None | -199 | 4 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 336 | 8 | 3 | 2 | 3.4 | S=C(NCCCCCc1c[nH]cn1)NCc1ccc(Cl)cc1 | 10.1021/jm00012a025 | |||
| CHEMBL72372 | 204474 | 0 | None | -199 | 4 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 336 | 8 | 3 | 2 | 3.4 | S=C(NCCCCCc1c[nH]cn1)NCc1ccc(Cl)cc1 | 10.1021/jm00012a025 | |||
| 9974306 | 204474 | 0 | None | -199 | 4 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 336 | 8 | 3 | 2 | 3.4 | S=C(NCCCCCc1c[nH]cn1)NCc1ccc(Cl)cc1 | 10.1016/j.bmcl.2010.10.041 | |||
| CHEMBL72372 | 204474 | 0 | None | -199 | 4 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 336 | 8 | 3 | 2 | 3.4 | S=C(NCCCCCc1c[nH]cn1)NCc1ccc(Cl)cc1 | 10.1016/j.bmcl.2010.10.041 | |||
| 3042 | 1414 | 35 | None | -53 | 14 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 309 | 7 | 0 | 3 | 4.4 | CCN(CCOC(=O)C1(CCCCC1)C1CCCCC1)CC | nan | |||
| 355 | 1414 | 35 | None | -53 | 14 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 309 | 7 | 0 | 3 | 4.4 | CCN(CCOC(=O)C1(CCCCC1)C1CCCCC1)CC | nan | |||
| 868 | 1414 | 35 | None | -53 | 14 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 309 | 7 | 0 | 3 | 4.4 | CCN(CCOC(=O)C1(CCCCC1)C1CCCCC1)CC | nan | |||
| CHEMBL1123 | 1414 | 35 | None | -53 | 14 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 309 | 7 | 0 | 3 | 4.4 | CCN(CCOC(=O)C1(CCCCC1)C1CCCCC1)CC | nan | |||
| DB00804 | 1414 | 35 | None | -53 | 14 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 309 | 7 | 0 | 3 | 4.4 | CCN(CCOC(=O)C1(CCCCC1)C1CCCCC1)CC | nan | |||
| 10343536 | 4962 | 0 | None | -1000 | 3 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 446 | 10 | 1 | 5 | 3.2 | O=C(c1ccc(OCCCN2CC[C@H](NS(=O)(=O)c3cccc(F)c3)C2)cc1)C1CC1 | 10.1016/s0960-894x(02)00685-6 | |||
| CHEMBL104809 | 4962 | 0 | None | -1000 | 3 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 446 | 10 | 1 | 5 | 3.2 | O=C(c1ccc(OCCCN2CC[C@H](NS(=O)(=O)c3cccc(F)c3)C2)cc1)C1CC1 | 10.1016/s0960-894x(02)00685-6 | |||
| 71452695 | 78683 | 0 | None | -398 | 3 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 453 | 10 | 1 | 6 | 3.0 | N#Cc1ccc(S(=O)(=O)N[C@H]2CCN(CCCOc3ccc(C(=O)C4CC4)cc3)C2)cc1 | 10.1016/s0960-894x(02)00685-6 | |||
| CHEMBL2112451 | 78683 | 0 | None | -398 | 3 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 453 | 10 | 1 | 6 | 3.0 | N#Cc1ccc(S(=O)(=O)N[C@H]2CCN(CCCOc3ccc(C(=O)C4CC4)cc3)C2)cc1 | 10.1016/s0960-894x(02)00685-6 | |||
| CHEMBL4576555 | 214017 | 5 | None | -1 | 19 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | None | None | None | CN1CCN(C(=O)C(C)(C)c2ccc(C(=O)Nc3cn4cc(-c5cc(C(C)(C)C)cc(C(C)(C)C)c5)ccc4n3)cc2)CC1 | 10.6019/CHEMBL4507307 | |||||
| 2247 | 505 | 81 | None | -56 | 42 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | nan | |||
| 249 | 505 | 81 | None | -56 | 42 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | nan | |||
| 2603 | 505 | 81 | None | -56 | 42 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | nan | |||
| CHEMBL296419 | 505 | 81 | None | -56 | 42 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | nan | |||
| DB00637 | 505 | 81 | None | -56 | 42 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | nan | |||
| 44335185 | 107391 | 0 | None | -14 | 3 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 446 | 7 | 0 | 4 | 4.7 | CCOC(=O)N1CCN(CCCOc2ccc(-c3ccc(Br)cc3)cc2)CC1 | 10.1016/s0960-894x(02)00648-0 | |||
| CHEMBL317900 | 107391 | 0 | None | -14 | 3 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 446 | 7 | 0 | 4 | 4.7 | CCOC(=O)N1CCN(CCCOc2ccc(-c3ccc(Br)cc3)cc2)CC1 | 10.1016/s0960-894x(02)00648-0 | |||
| 44304743 | 100609 | 0 | None | -97 | 3 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 431 | 13 | 1 | 5 | 3.7 | CCCCCC(=O)c1ccc(OCCCN2CCN(C(=O)[C@@H](N)CC(C)C)CC2)cc1 | 10.1016/s0960-894x(02)00310-4 | |||
| CHEMBL291847 | 100609 | 0 | None | -97 | 3 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 431 | 13 | 1 | 5 | 3.7 | CCCCCC(=O)c1ccc(OCCCN2CCN(C(=O)[C@@H](N)CC(C)C)CC2)cc1 | 10.1016/s0960-894x(02)00310-4 | |||
| 164628701 | 186467 | 0 | None | 144 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 338 | 5 | 4 | 4 | 1.9 | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NC1CCCCC1 | 10.1016/j.ejmech.2021.113190 | |||
| CHEMBL4876743 | 186467 | 0 | None | 144 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 338 | 5 | 4 | 4 | 1.9 | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NC1CCCCC1 | 10.1016/j.ejmech.2021.113190 | |||
| 9880208 | 4924 | 0 | None | -2041 | 4 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 322 | 6 | 1 | 4 | 3.1 | N#Cc1ccc(-c2ccc(OCCCN3CC[C@@H](O)C3)cc2)cc1 | 10.1016/s0960-894x(02)00648-0 | |||
| CHEMBL104669 | 4924 | 0 | None | -2041 | 4 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 322 | 6 | 1 | 4 | 3.1 | N#Cc1ccc(-c2ccc(OCCCN3CC[C@@H](O)C3)cc2)cc1 | 10.1016/s0960-894x(02)00648-0 | |||
| 156015722 | 178273 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 718 | 21 | 2 | 7 | 7.9 | Cc1cc(/C=C/C=C/c2ccc(N(C)C)cc2)cc(C)[n+]1CCCCCCCNc1c(NCCCOc2cccc(CN3CCCCC3)c2)c(=O)c1=O | 10.1021/acsmedchemlett.0c00033 | |||
| CHEMBL4644467 | 178273 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 718 | 21 | 2 | 7 | 7.9 | Cc1cc(/C=C/C=C/c2ccc(N(C)C)cc2)cc(C)[n+]1CCCCCCCNc1c(NCCCOc2cccc(CN3CCCCC3)c2)c(=O)c1=O | 10.1021/acsmedchemlett.0c00033 | |||
| CHEMBL4650837 | 178273 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 718 | 21 | 2 | 7 | 7.9 | Cc1cc(/C=C/C=C/c2ccc(N(C)C)cc2)cc(C)[n+]1CCCCCCCNc1c(NCCCOc2cccc(CN3CCCCC3)c2)c(=O)c1=O | 10.1021/acsmedchemlett.0c00033 | |||
| 156015152 | 178306 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 676 | 18 | 2 | 7 | 6.7 | Cc1cc(/C=C/C=C/c2ccc(N(C)C)cc2)cc(C)[n+]1CCCCNc1c(NCCCOc2cccc(CN3CCCCC3)c2)c(=O)c1=O | 10.1021/acsmedchemlett.0c00033 | |||
| CHEMBL4641916 | 178306 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 676 | 18 | 2 | 7 | 6.7 | Cc1cc(/C=C/C=C/c2ccc(N(C)C)cc2)cc(C)[n+]1CCCCNc1c(NCCCOc2cccc(CN3CCCCC3)c2)c(=O)c1=O | 10.1021/acsmedchemlett.0c00033 | |||
| CHEMBL4651017 | 178306 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 676 | 18 | 2 | 7 | 6.7 | Cc1cc(/C=C/C=C/c2ccc(N(C)C)cc2)cc(C)[n+]1CCCCNc1c(NCCCOc2cccc(CN3CCCCC3)c2)c(=O)c1=O | 10.1021/acsmedchemlett.0c00033 | |||
| 164609729 | 185098 | 0 | None | -2 | 6 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 360 | 6 | 4 | 4 | 2.3 | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)N[C@H](C)c1ccccc1 | 10.1016/j.ejmech.2021.113190 | |||
| CHEMBL4856059 | 185098 | 0 | None | -2 | 6 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 360 | 6 | 4 | 4 | 2.3 | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)N[C@H](C)c1ccccc1 | 10.1016/j.ejmech.2021.113190 | |||
| 1231 | 937 | 116 | None | -2 | 7 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 252 | 5 | 3 | 4 | 0.6 | N#CNC(=NC)NCCSCc1nc[nH]c1C | 10.1021/jm8007618 | |||
| 2756 | 937 | 116 | None | -2 | 7 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 252 | 5 | 3 | 4 | 0.6 | N#CNC(=NC)NCCSCc1nc[nH]c1C | 10.1021/jm8007618 | |||
| 645 | 937 | 116 | None | -2 | 7 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 252 | 5 | 3 | 4 | 0.6 | N#CNC(=NC)NCCSCc1nc[nH]c1C | 10.1021/jm8007618 | |||
| CHEMBL30 | 937 | 116 | None | -2 | 7 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 252 | 5 | 3 | 4 | 0.6 | N#CNC(=NC)NCCSCc1nc[nH]c1C | 10.1021/jm8007618 | |||
| DB00501 | 937 | 116 | None | -2 | 7 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 252 | 5 | 3 | 4 | 0.6 | N#CNC(=NC)NCCSCc1nc[nH]c1C | 10.1021/jm8007618 | |||
| 9906447 | 195577 | 2 | None | -2344 | 13 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 351 | 5 | 0 | 3 | 4.8 | C[C@@H]1CCCN1CCc1cc2cc(C(=O)c3ccc(F)cc3)ccc2o1 | 10.1021/jm201690h | |||
| CHEMBL2031738 | 195577 | 2 | None | -2344 | 13 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 351 | 5 | 0 | 3 | 4.8 | C[C@@H]1CCCN1CCc1cc2cc(C(=O)c3ccc(F)cc3)ccc2o1 | 10.1021/jm201690h | |||
| CHEMBL555146 | 195577 | 2 | None | -2344 | 13 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 351 | 5 | 0 | 3 | 4.8 | C[C@@H]1CCCN1CCc1cc2cc(C(=O)c3ccc(F)cc3)ccc2o1 | 10.1021/jm201690h | |||
| CHEMBL4576555 | 214017 | 5 | None | -1 | 19 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | None | None | None | CN1CCN(C(=O)C(C)(C)c2ccc(C(=O)Nc3cn4cc(-c5cc(C(C)(C)C)cc(C(C)(C)C)c5)ccc4n3)cc2)CC1 | 10.6019/CHEMBL4507307 | |||||
| 10064805 | 102376 | 0 | None | -95 | 4 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 323 | 4 | 1 | 3 | 4.4 | CN1CCCC1CCNc1c2c(nc3ccccc13)CCCCC2 | 10.1016/s0960-894x(03)00356-1 | |||
| CHEMBL303824 | 102376 | 0 | None | -95 | 4 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 323 | 4 | 1 | 3 | 4.4 | CN1CCCC1CCNc1c2c(nc3ccccc13)CCCCC2 | 10.1016/s0960-894x(03)00356-1 | |||
| 73349359 | 92543 | 0 | None | -2 | 8 | Human | 5.8 | pKi | = | 5.8 | 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 | -2 | 8 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 341 | 6 | 1 | 4 | 2.9 | COc1cc(CN[C@H]2C3C4CC5C6C4CC3C6C52)cc(OC)c1OC | 10.1016/j.bmc.2013.07.045 | |||
| 44304308 | 102485 | 0 | None | -691 | 3 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 432 | 8 | 0 | 5 | 3.7 | CCOC(=O)N1CCN(CCCOc2ccc(C(=O)c3cccc(F)c3F)cc2)CC1 | 10.1016/s0960-894x(02)00309-8 | |||
| CHEMBL304027 | 102485 | 0 | None | -691 | 3 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 432 | 8 | 0 | 5 | 3.7 | CCOC(=O)N1CCN(CCCOc2ccc(C(=O)c3cccc(F)c3F)cc2)CC1 | 10.1016/s0960-894x(02)00309-8 | |||
| 44582676 | 189779 | 0 | None | -13 | 17 | Human | 5.8 | pKi | = | 5.8 | 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 | -13 | 17 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 403 | 9 | 0 | 4 | 4.3 | COc1c(OCCF)cccc1C(=O)C1CCN(CCc2ccc(F)cc2)CC1 | 10.1016/j.bmc.2009.03.021 | |||
| 132060776 | 162402 | 0 | None | -6 | 16 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 419 | 4 | 0 | 4 | 4.4 | O=C(OCc1ccccc1)N1CCc2ccc(N3CCN(C4CCCC4)CC3)cc2C1 | 10.1016/j.ejmech.2018.02.024 | |||
| CHEMBL4165863 | 162402 | 0 | None | -6 | 16 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 419 | 4 | 0 | 4 | 4.4 | O=C(OCc1ccccc1)N1CCc2ccc(N3CCN(C4CCCC4)CC3)cc2C1 | 10.1016/j.ejmech.2018.02.024 | |||
| 73346042 | 91834 | 5 | None | -17782 | 17 | Human | 5.8 | pKi | = | 5.8 | 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 | -17782 | 17 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 405 | 9 | 0 | 8 | 0.9 | Cn1c(=O)cnn(CCCCN2CCN(c3ccccc3OCCF)CC2)c1=O | 10.1016/j.bmc.2013.05.050 | |||
| 44304385 | 203178 | 0 | None | -3548 | 3 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 404 | 11 | 0 | 5 | 4.4 | CCCCCC(=O)c1ccc(OCCCN2CCN(C(=O)OC(C)C)CC2)cc1 | 10.1016/s0960-894x(02)00309-8 | |||
| CHEMBL64259 | 203178 | 0 | None | -3548 | 3 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 404 | 11 | 0 | 5 | 4.4 | CCCCCC(=O)c1ccc(OCCCN2CCN(C(=O)OC(C)C)CC2)cc1 | 10.1016/s0960-894x(02)00309-8 | |||
| 10455457 | 203403 | 0 | None | -3019 | 3 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 431 | 10 | 0 | 5 | 3.3 | CCCCCC(=O)c1ccc(OCCCN2CCN(C(=O)N3CCOCC3)CC2)cc1 | 10.1016/s0960-894x(02)00309-8 | |||
| CHEMBL65518 | 203403 | 0 | None | -3019 | 3 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 431 | 10 | 0 | 5 | 3.3 | CCCCCC(=O)c1ccc(OCCCN2CCN(C(=O)N3CCOCC3)CC2)cc1 | 10.1016/s0960-894x(02)00309-8 | |||
| 44304066 | 202765 | 0 | None | -407 | 3 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 449 | 11 | 1 | 5 | 3.0 | CN[C@H](Cc1ccccc1)C(=O)N1CCN(CCCOc2ccc(C(=O)C3CC3)cc2)CC1 | 10.1016/s0960-894x(02)00310-4 | |||
| CHEMBL62050 | 202765 | 0 | None | -407 | 3 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 449 | 11 | 1 | 5 | 3.0 | CN[C@H](Cc1ccccc1)C(=O)N1CCN(CCCOc2ccc(C(=O)C3CC3)cc2)CC1 | 10.1016/s0960-894x(02)00310-4 | |||
| 71452383 | 83796 | 0 | None | 1 | 3 | Human | 5.8 | pKi | = | 5.8 | 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 | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 339 | 5 | 1 | 4 | 2.0 | COc1ccc(CCN2C3C4C5CC6C7C5C3C7C2(O)C64)cc1OC | 10.1016/j.bmcl.2012.08.046 | |||
| 1235 | 3823 | 36 | None | -2 | 4 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 312 | 6 | 4 | 6 | -0.1 | N#CNC(=NC)NCCSCc1csc(n1)N=C(N)N | 10.1016/j.bmcl.2013.01.025 | |||
| 3959 | 3823 | 36 | None | -2 | 4 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 312 | 6 | 4 | 6 | -0.1 | N#CNC(=NC)NCCSCc1csc(n1)N=C(N)N | 10.1016/j.bmcl.2013.01.025 | |||
| 50287 | 3823 | 36 | None | -2 | 4 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 312 | 6 | 4 | 6 | -0.1 | N#CNC(=NC)NCCSCc1csc(n1)N=C(N)N | 10.1016/j.bmcl.2013.01.025 | |||
| CHEMBL269646 | 3823 | 36 | None | -2 | 4 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 312 | 6 | 4 | 6 | -0.1 | N#CNC(=NC)NCCSCc1csc(n1)N=C(N)N | 10.1016/j.bmcl.2013.01.025 | |||
| 4806 | 4008 | 88 | None | -5 | 13 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 298 | 3 | 1 | 3 | 3.9 | Cc1ccc(c(c1)C)Sc1ccccc1N1CCNCC1 | 10.1021/jm101459g | |||
| 7351 | 4008 | 88 | None | -5 | 13 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 298 | 3 | 1 | 3 | 3.9 | Cc1ccc(c(c1)C)Sc1ccccc1N1CCNCC1 | 10.1021/jm101459g | |||
| 9966051 | 4008 | 88 | None | -5 | 13 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 298 | 3 | 1 | 3 | 3.9 | Cc1ccc(c(c1)C)Sc1ccccc1N1CCNCC1 | 10.1021/jm101459g | |||
| CHEMBL2104993 | 4008 | 88 | None | -5 | 13 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 298 | 3 | 1 | 3 | 3.9 | Cc1ccc(c(c1)C)Sc1ccccc1N1CCNCC1 | 10.1021/jm101459g | |||
| DB09068 | 4008 | 88 | None | -5 | 13 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 298 | 3 | 1 | 3 | 3.9 | Cc1ccc(c(c1)C)Sc1ccccc1N1CCNCC1 | 10.1021/jm101459g | |||
| 10003483 | 4644 | 0 | None | -660 | 3 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 442 | 10 | 1 | 5 | 3.4 | Cc1cccc(S(=O)(=O)N[C@H]2CCN(CCCOc3ccc(C(=O)C4CC4)cc3)C2)c1 | 10.1016/s0960-894x(02)00685-6 | |||
| CHEMBL103027 | 4644 | 0 | None | -660 | 3 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 442 | 10 | 1 | 5 | 3.4 | Cc1cccc(S(=O)(=O)N[C@H]2CCN(CCCOc3ccc(C(=O)C4CC4)cc3)C2)c1 | 10.1016/s0960-894x(02)00685-6 | |||
| CHEMBL5076746 | 215525 | 0 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | None | None | None | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NCCCCCCNC(=O)CCCCCN1/C(=C/C=C/C=C/C2=[N+](CCCCS(N)(=O)=O)c3ccccc3C2(C)C)c2cc(S(=O)(=O)[O-])ccc2C1(C)C | 10.1016/j.bmcl.2021.128388 | |||||
| CHEMBL5095519 | 215525 | 0 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | None | None | None | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NCCCCCCNC(=O)CCCCCN1/C(=C/C=C/C=C/C2=[N+](CCCCS(N)(=O)=O)c3ccccc3C2(C)C)c2cc(S(=O)(=O)[O-])ccc2C1(C)C | 10.1016/j.bmcl.2021.128388 | |||||
| 156015638 | 178272 | 0 | None | -1819 | 4 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 415 | 10 | 1 | 2 | 5.5 | Cc1cc(/C=C/C=C/c2ccc(N(C)C)cc2)cc(C)[n+]1CCCCCc1c[nH]cn1 | 10.1021/acs.jmedchem.0c00160 | |||
| CHEMBL4642520 | 178272 | 0 | None | -1819 | 4 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 415 | 10 | 1 | 2 | 5.5 | Cc1cc(/C=C/C=C/c2ccc(N(C)C)cc2)cc(C)[n+]1CCCCCc1c[nH]cn1 | 10.1021/acs.jmedchem.0c00160 | |||
| CHEMBL4650832 | 178272 | 0 | None | -1819 | 4 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 415 | 10 | 1 | 2 | 5.5 | Cc1cc(/C=C/C=C/c2ccc(N(C)C)cc2)cc(C)[n+]1CCCCCc1c[nH]cn1 | 10.1021/acs.jmedchem.0c00160 | |||
| 168281536 | 192881 | 0 | None | -9 | 4 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 369 | 12 | 4 | 5 | 1.7 | Cc1nnc(CCCN/C(N)=N/C(=O)NCCCCCCCCN)s1 | 10.1021/acs.jmedchem.1c00692 | |||
| CHEMBL5189006 | 192881 | 0 | None | -9 | 4 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 369 | 12 | 4 | 5 | 1.7 | Cc1nnc(CCCN/C(N)=N/C(=O)NCCCCCCCCN)s1 | 10.1021/acs.jmedchem.1c00692 | |||
| CHEMBL5221966 | 192881 | 0 | None | -9 | 4 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 369 | 12 | 4 | 5 | 1.7 | Cc1nnc(CCCN/C(N)=N/C(=O)NCCCCCCCCN)s1 | 10.1021/acs.jmedchem.1c00692 | |||
| 3158 | 56267 | 27 | None | -12589 | 20 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 279 | 3 | 0 | 2 | 4.0 | CN(C)CCC=C1c2ccccc2COc2ccccc21 | nan | |||
| CHEMBL1628227 | 56267 | 27 | None | -12589 | 20 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 279 | 3 | 0 | 2 | 4.0 | CN(C)CCC=C1c2ccccc2COc2ccccc21 | nan | |||
| 44304399 | 203193 | 0 | None | -91 | 3 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 418 | 13 | 0 | 5 | 4.8 | CCCCCC(=O)c1ccc(OCCCN2CCN(C(=O)OCCCC)CC2)cc1 | 10.1016/s0960-894x(02)00309-8 | |||
| CHEMBL64317 | 203193 | 0 | None | -91 | 3 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 418 | 13 | 0 | 5 | 4.8 | CCCCCC(=O)c1ccc(OCCCN2CCN(C(=O)OCCCC)CC2)cc1 | 10.1016/s0960-894x(02)00309-8 | |||
| 44304376 | 202970 | 0 | None | -354 | 3 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 423 | 11 | 0 | 5 | 4.1 | CCCCCC(=O)c1ccc(OCCCN2CCN(C(=O)c3ccccn3)CC2)cc1 | 10.1016/s0960-894x(02)00309-8 | |||
| CHEMBL63036 | 202970 | 0 | None | -354 | 3 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 423 | 11 | 0 | 5 | 4.1 | CCCCCC(=O)c1ccc(OCCCN2CCN(C(=O)c3ccccn3)CC2)cc1 | 10.1016/s0960-894x(02)00309-8 | |||
| 44304244 | 203176 | 0 | None | -1174 | 3 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 372 | 12 | 0 | 4 | 4.2 | CCCCCC(=O)c1ccc(OCCCN2CCN(CC3CC3)CC2)cc1 | 10.1016/s0960-894x(02)00309-8 | |||
| CHEMBL64253 | 203176 | 0 | None | -1174 | 3 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 372 | 12 | 0 | 4 | 4.2 | CCCCCC(=O)c1ccc(OCCCN2CCN(CC3CC3)CC2)cc1 | 10.1016/s0960-894x(02)00309-8 | |||
| 44335384 | 4638 | 0 | None | -2630 | 4 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 334 | 6 | 0 | 3 | 4.9 | CC1CCCCN1CCCOc1ccc(-c2ccc(C#N)cc2)cc1 | 10.1016/s0960-894x(02)00648-0 | |||
| CHEMBL102984 | 4638 | 0 | None | -2630 | 4 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 334 | 6 | 0 | 3 | 4.9 | CC1CCCCN1CCCOc1ccc(-c2ccc(C#N)cc2)cc1 | 10.1016/s0960-894x(02)00648-0 | |||
| 73355418 | 92546 | 0 | None | -1 | 3 | Human | 5.7 | pKi | = | 5.7 | 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 | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 325 | 5 | 0 | 3 | 3.3 | COc1ccc(CN(C)[C@H]2C3C4CC5C6C4CC3C6C52)cc1OC | 10.1016/j.bmc.2013.07.045 | |||
| 156011186 | 178243 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 704 | 20 | 2 | 7 | 7.5 | Cc1cc(/C=C/C=C/c2ccc(N(C)C)cc2)cc(C)[n+]1CCCCCCNc1c(NCCCOc2cccc(CN3CCCCC3)c2)c(=O)c1=O | 10.1021/acsmedchemlett.0c00033 | |||
| CHEMBL4637893 | 178243 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 704 | 20 | 2 | 7 | 7.5 | Cc1cc(/C=C/C=C/c2ccc(N(C)C)cc2)cc(C)[n+]1CCCCCCNc1c(NCCCOc2cccc(CN3CCCCC3)c2)c(=O)c1=O | 10.1021/acsmedchemlett.0c00033 | |||
| CHEMBL4650588 | 178243 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 704 | 20 | 2 | 7 | 7.5 | Cc1cc(/C=C/C=C/c2ccc(N(C)C)cc2)cc(C)[n+]1CCCCCCNc1c(NCCCOc2cccc(CN3CCCCC3)c2)c(=O)c1=O | 10.1021/acsmedchemlett.0c00033 | |||
| 168294449 | 193018 | 0 | None | -6 | 6 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 367 | 7 | 4 | 5 | 1.9 | CC(CNC(=O)/N=C(\N)NCCCc1nnc(N)s1)C1CCCCC1 | 10.1021/acs.jmedchem.1c00692 | |||
| CHEMBL5204599 | 193018 | 0 | None | -6 | 6 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 367 | 7 | 4 | 5 | 1.9 | CC(CNC(=O)/N=C(\N)NCCCc1nnc(N)s1)C1CCCCC1 | 10.1021/acs.jmedchem.1c00692 | |||
| CHEMBL5222793 | 193018 | 0 | None | -6 | 6 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 367 | 7 | 4 | 5 | 1.9 | CC(CNC(=O)/N=C(\N)NCCCc1nnc(N)s1)C1CCCCC1 | 10.1021/acs.jmedchem.1c00692 | |||
| 168294161 | 193006 | 0 | None | 3 | 4 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 360 | 6 | 4 | 4 | 3.3 | CCCCCNC(=O)/N=C(\N)Nc1cccc(-c2sc(N)nc2C)c1 | 10.1021/acs.jmedchem.1c00692 | |||
| CHEMBL5204739 | 193006 | 0 | None | 3 | 4 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 360 | 6 | 4 | 4 | 3.3 | CCCCCNC(=O)/N=C(\N)Nc1cccc(-c2sc(N)nc2C)c1 | 10.1021/acs.jmedchem.1c00692 | |||
| CHEMBL5222742 | 193006 | 0 | None | 3 | 4 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 360 | 6 | 4 | 4 | 3.3 | CCCCCNC(=O)/N=C(\N)Nc1cccc(-c2sc(N)nc2C)c1 | 10.1021/acs.jmedchem.1c00692 | |||
| 9923186 | 107542 | 0 | None | -977 | 4 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 322 | 6 | 1 | 4 | 3.1 | N#Cc1ccc(-c2ccc(OCCCN3CC[C@H](O)C3)cc2)cc1 | 10.1016/s0960-894x(02)00648-0 | |||
| CHEMBL318801 | 107542 | 0 | None | -977 | 4 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 322 | 6 | 1 | 4 | 3.1 | N#Cc1ccc(-c2ccc(OCCCN3CC[C@H](O)C3)cc2)cc1 | 10.1016/s0960-894x(02)00648-0 | |||
| 12192007 | 168408 | 44 | None | -724 | 3 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 191 | 2 | 2 | 2 | 0.8 | N[C@@H](C(=O)O)C1Cc2ccccc2C1 | 10.1016/s0960-894x(02)00310-4 | |||
| CHEMBL434785 | 168408 | 44 | None | -724 | 3 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 191 | 2 | 2 | 2 | 0.8 | N[C@@H](C(=O)O)C1Cc2ccccc2C1 | 10.1016/s0960-894x(02)00310-4 | |||
| 44304013 | 202894 | 0 | None | -363 | 3 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 401 | 8 | 1 | 5 | 2.6 | CC(C)(C)[C@@H](N)C(=O)N1CCN(CCCOc2ccc(C(=O)C3CC3)cc2)CC1 | 10.1016/s0960-894x(02)00310-4 | |||
| CHEMBL62716 | 202894 | 0 | None | -363 | 3 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 401 | 8 | 1 | 5 | 2.6 | CC(C)(C)[C@@H](N)C(=O)N1CCN(CCCOc2ccc(C(=O)C3CC3)cc2)CC1 | 10.1016/s0960-894x(02)00310-4 | |||
| 72901200 | 119777 | 25 | None | -1318 | 4 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 322 | 7 | 2 | 4 | 3.8 | Cc1ccc2nc(CNCCCOc3ccccc3)cc(O)c2c1 | 10.6019/CHEMBL5212743 | |||
| CHEMBL3480577 | 119777 | 25 | None | -1318 | 4 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 322 | 7 | 2 | 4 | 3.8 | Cc1ccc2nc(CNCCCOc3ccccc3)cc(O)c2c1 | 10.6019/CHEMBL5212743 | |||
| 5291 | 207437 | 120 | None | -1 | 2 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 493 | 7 | 2 | 7 | 4.6 | Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1 | nan | |||
| CHEMBL941 | 207437 | 120 | None | -1 | 2 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 493 | 7 | 2 | 7 | 4.6 | Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1 | nan | |||
| 44304259 | 100615 | 0 | None | -660 | 3 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 462 | 11 | 0 | 5 | 5.4 | CCCCCC(=O)c1ccc(OCCCN2CCN(C(=O)c3sccc3Cl)CC2)cc1 | 10.1016/s0960-894x(02)00309-8 | |||
| CHEMBL291882 | 100615 | 0 | None | -660 | 3 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 462 | 11 | 0 | 5 | 5.4 | CCCCCC(=O)c1ccc(OCCCN2CCN(C(=O)c3sccc3Cl)CC2)cc1 | 10.1016/s0960-894x(02)00309-8 | |||
| 10341609 | 200270 | 0 | None | -4365 | 3 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 412 | 11 | 1 | 5 | 3.4 | CCCCCC(=O)c1ccc(OCCCN2CCN(C(=O)c3c[nH]cn3)CC2)cc1 | 10.1016/s0960-894x(02)00309-8 | |||
| CHEMBL59715 | 200270 | 0 | None | -4365 | 3 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 412 | 11 | 1 | 5 | 3.4 | CCCCCC(=O)c1ccc(OCCCN2CCN(C(=O)c3c[nH]cn3)CC2)cc1 | 10.1016/s0960-894x(02)00309-8 | |||
| 277 | 1301 | 62 | None | -43 | 50 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 287 | 0 | 0 | 1 | 4.7 | CN1CCC(=C2c3ccccc3C=Cc3c2cccc3)CC1 | nan | |||
| 2913 | 1301 | 62 | None | -43 | 50 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 287 | 0 | 0 | 1 | 4.7 | CN1CCC(=C2c3ccccc3C=Cc3c2cccc3)CC1 | nan | |||
| 765 | 1301 | 62 | None | -43 | 50 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 287 | 0 | 0 | 1 | 4.7 | CN1CCC(=C2c3ccccc3C=Cc3c2cccc3)CC1 | nan | |||
| CHEMBL516 | 1301 | 62 | None | -43 | 50 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 287 | 0 | 0 | 1 | 4.7 | CN1CCC(=C2c3ccccc3C=Cc3c2cccc3)CC1 | nan | |||
| DB00434 | 1301 | 62 | None | -43 | 50 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 287 | 0 | 0 | 1 | 4.7 | CN1CCC(=C2c3ccccc3C=Cc3c2cccc3)CC1 | nan | |||
| 153287553 | 171104 | 0 | None | -316 | 6 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 264 | 1 | 1 | 2 | 3.7 | C[C@@]12CN(c3ccccc3)c3ccccc3[C@@H]1CCN2 | 10.1021/acsmedchemlett.9b00225 | |||
| CHEMBL4457754 | 171104 | 0 | None | -316 | 6 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 264 | 1 | 1 | 2 | 3.7 | C[C@@]12CN(c3ccccc3)c3ccccc3[C@@H]1CCN2 | 10.1021/acsmedchemlett.9b00225 | |||
| 164619039 | 186148 | 0 | None | 17 | 2 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 366 | 4 | 4 | 4 | 3.0 | N/C(=N\C(=O)NCc1ccccc1)Nc1cccc(-c2csc(N)n2)c1 | 10.1016/j.ejmech.2021.113190 | |||
| CHEMBL4872277 | 186148 | 0 | None | 17 | 2 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 366 | 4 | 4 | 4 | 3.0 | N/C(=N\C(=O)NCc1ccccc1)Nc1cccc(-c2csc(N)n2)c1 | 10.1016/j.ejmech.2021.113190 | |||
| 10263017 | 207462 | 2 | None | -31 | 3 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 223 | 10 | 2 | 2 | 3.0 | NCCCCCCCCCCc1c[nH]cn1 | 10.1021/jm00002a008 | |||
| CHEMBL94249 | 207462 | 2 | None | -31 | 3 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 223 | 10 | 2 | 2 | 3.0 | NCCCCCCCCCCc1c[nH]cn1 | 10.1021/jm00002a008 | |||
| 44304247 | 202809 | 0 | None | -1905 | 3 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 412 | 11 | 0 | 5 | 4.3 | CCCCCC(=O)c1ccc(OCCCN2CCN(C(=O)c3ccco3)CC2)cc1 | 10.1016/s0960-894x(02)00309-8 | |||
| CHEMBL62312 | 202809 | 0 | None | -1905 | 3 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 412 | 11 | 0 | 5 | 4.3 | CCCCCC(=O)c1ccc(OCCCN2CCN(C(=O)c3ccco3)CC2)cc1 | 10.1016/s0960-894x(02)00309-8 | |||
| 5250783 | 169387 | 3 | None | -1995 | 3 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 226 | 6 | 3 | 2 | 1.6 | C/N=C(\S)NCCCCCc1c[nH]cn1 | 10.1021/jm00012a025 | |||
| CHEMBL44220 | 169387 | 3 | None | -1995 | 3 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 226 | 6 | 3 | 2 | 1.6 | C/N=C(\S)NCCCCCc1c[nH]cn1 | 10.1021/jm00012a025 | |||
| CHEMBL5276441 | 193900 | 0 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 415 | 13 | 2 | 8 | 4.1 | CN(C)Cc1ccc(CSCCNc2nonc2NCCCc2ccccc2)o1 | 10.1021/acs.jmedchem.0c01901 | |||
| 164626153 | 186378 | 0 | None | 4 | 6 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 378 | 6 | 4 | 4 | 2.5 | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NC(C)c1cccc(F)c1 | 10.1016/j.ejmech.2021.113190 | |||
| CHEMBL4875600 | 186378 | 0 | None | 4 | 6 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 378 | 6 | 4 | 4 | 2.5 | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NC(C)c1cccc(F)c1 | 10.1016/j.ejmech.2021.113190 | |||
| 2398 | 954 | 62 | None | -13 | 29 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 314 | 4 | 0 | 2 | 4.5 | CN(CCCN1c2ccccc2CCc2c1cc(Cl)cc2)C | nan | |||
| 2801 | 954 | 62 | None | -13 | 29 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 314 | 4 | 0 | 2 | 4.5 | CN(CCCN1c2ccccc2CCc2c1cc(Cl)cc2)C | nan | |||
| 701 | 954 | 62 | None | -13 | 29 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 314 | 4 | 0 | 2 | 4.5 | CN(CCCN1c2ccccc2CCc2c1cc(Cl)cc2)C | nan | |||
| CHEMBL415 | 954 | 62 | None | -13 | 29 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 314 | 4 | 0 | 2 | 4.5 | CN(CCCN1c2ccccc2CCc2c1cc(Cl)cc2)C | nan | |||
| DB01242 | 954 | 62 | None | -13 | 29 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 314 | 4 | 0 | 2 | 4.5 | CN(CCCN1c2ccccc2CCc2c1cc(Cl)cc2)C | nan | |||
| 156015243 | 178238 | 0 | None | - | 1 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 1081 | 29 | 4 | 13 | 8.5 | CC1(C)C(/C=C/C=C/C=C2\N(CCCCCC(=O)NCCCCNc3c(NCCCOc4cccc(CN5CCCCC5)c4)c(=O)c3=O)c3cc(S(=O)(=O)O)ccc3C2(C)C)=[N+](CCCCS(=O)(=O)[O-])c2ccccc21 | 10.1021/acsmedchemlett.0c00033 | |||
| CHEMBL4648203 | 178238 | 0 | None | - | 1 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 1081 | 29 | 4 | 13 | 8.5 | CC1(C)C(/C=C/C=C/C=C2\N(CCCCCC(=O)NCCCCNc3c(NCCCOc4cccc(CN5CCCCC5)c4)c(=O)c3=O)c3cc(S(=O)(=O)O)ccc3C2(C)C)=[N+](CCCCS(=O)(=O)[O-])c2ccccc21 | 10.1021/acsmedchemlett.0c00033 | |||
| CHEMBL4650564 | 178238 | 0 | None | - | 1 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 1081 | 29 | 4 | 13 | 8.5 | CC1(C)C(/C=C/C=C/C=C2\N(CCCCCC(=O)NCCCCNc3c(NCCCOc4cccc(CN5CCCCC5)c4)c(=O)c3=O)c3cc(S(=O)(=O)O)ccc3C2(C)C)=[N+](CCCCS(=O)(=O)[O-])c2ccccc21 | 10.1021/acsmedchemlett.0c00033 | |||
| 44304068 | 102347 | 0 | None | -125 | 3 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 441 | 10 | 1 | 5 | 3.5 | N[C@H](CC1CCCCC1)C(=O)N1CCN(CCCOc2ccc(C(=O)C3CC3)cc2)CC1 | 10.1016/s0960-894x(02)00310-4 | |||
| CHEMBL303737 | 102347 | 0 | None | -125 | 3 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 441 | 10 | 1 | 5 | 3.5 | N[C@H](CC1CCCCC1)C(=O)N1CCN(CCCOc2ccc(C(=O)C3CC3)cc2)CC1 | 10.1016/s0960-894x(02)00310-4 | |||
| 44304030 | 200962 | 0 | None | -154 | 3 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 511 | 11 | 1 | 5 | 4.4 | N[C@H](Cc1ccc(-c2ccccc2)cc1)C(=O)N1CCN(CCCOc2ccc(C(=O)C3CC3)cc2)CC1 | 10.1016/s0960-894x(02)00310-4 | |||
| CHEMBL60189 | 200962 | 0 | None | -154 | 3 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 511 | 11 | 1 | 5 | 4.4 | N[C@H](Cc1ccc(-c2ccccc2)cc1)C(=O)N1CCN(CCCOc2ccc(C(=O)C3CC3)cc2)CC1 | 10.1016/s0960-894x(02)00310-4 | |||
| 44304991 | 203061 | 0 | None | -1659 | 3 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 424 | 12 | 0 | 5 | 3.6 | CCCCCC(=O)c1ccc(OCCCN2CCN(S(=O)(=O)C(C)C)CC2)cc1 | 10.1016/s0960-894x(02)00309-8 | |||
| CHEMBL63631 | 203061 | 0 | None | -1659 | 3 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 424 | 12 | 0 | 5 | 3.6 | CCCCCC(=O)c1ccc(OCCCN2CCN(S(=O)(=O)C(C)C)CC2)cc1 | 10.1016/s0960-894x(02)00309-8 | |||
| 44304294 | 202963 | 0 | None | -97 | 3 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 485 | 10 | 1 | 5 | 3.9 | N[C@H](Cc1cccc2ccccc12)C(=O)N1CCN(CCCOc2ccc(C(=O)C3CC3)cc2)CC1 | 10.1016/s0960-894x(02)00310-4 | |||
| CHEMBL63003 | 202963 | 0 | None | -97 | 3 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 485 | 10 | 1 | 5 | 3.9 | N[C@H](Cc1cccc2ccccc12)C(=O)N1CCN(CCCOc2ccc(C(=O)C3CC3)cc2)CC1 | 10.1016/s0960-894x(02)00310-4 | |||
| CHEMBL4520788 | 213975 | 10 | None | 3 | 25 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | None | None | None | CNCc1ccccc1-c1csc([C@H](C)Nc2nc(C)nc3cc(OC)c(OC)cc23)c1 | 10.6019/CHEMBL5212743 | |||||
| 156021166 | 178337 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 908 | 25 | 3 | 8 | 10.3 | C[N+]1=C(/C=C/C=C/C=C2\N(CCCCCC(=O)NCCCCCCNc3c(NCCCOc4cccc(CN5CCCCC5)c4)c(=O)c3=O)c3ccccc3C2(C)C)C(C)(C)c2ccccc21 | 10.1021/acsmedchemlett.0c00033 | |||
| CHEMBL4647775 | 178337 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 908 | 25 | 3 | 8 | 10.3 | C[N+]1=C(/C=C/C=C/C=C2\N(CCCCCC(=O)NCCCCCCNc3c(NCCCOc4cccc(CN5CCCCC5)c4)c(=O)c3=O)c3ccccc3C2(C)C)C(C)(C)c2ccccc21 | 10.1021/acsmedchemlett.0c00033 | |||
| CHEMBL4651205 | 178337 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 908 | 25 | 3 | 8 | 10.3 | C[N+]1=C(/C=C/C=C/C=C2\N(CCCCCC(=O)NCCCCCCNc3c(NCCCOc4cccc(CN5CCCCC5)c4)c(=O)c3=O)c3ccccc3C2(C)C)C(C)(C)c2ccccc21 | 10.1021/acsmedchemlett.0c00033 | |||
| CHEMBL5094663 | 215506 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | None | None | None | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NCCCCCCNC(=O)CCCCCN1/C(=C/C=C/C=C/C2=[N+](C)c3ccccc3C2(C)C)c2ccccc2C1(C)C | 10.1016/j.bmcl.2021.128388 | |||||
| 21830793 | 91835 | 10 | None | -14125 | 45 | Human | 5.7 | pKi | = | 5.7 | 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 | -14125 | 45 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 373 | 7 | 0 | 8 | 0.6 | COc1ccccc1N1CCN(CCCCn2ncc(=O)n(C)c2=O)CC1 | 10.1016/j.bmc.2013.05.050 | |||
| 11948707 | 166167 | 0 | None | -5248 | 13 | Human | 5.7 | pKi | = | 5.7 | 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 | -5248 | 13 | Human | 5.7 | pKi | = | 5.7 | 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 | |||
| 168295543 | 193041 | 0 | None | 1 | 4 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 380 | 4 | 4 | 4 | 3.3 | Cc1nc(N)sc1-c1ccc(N/C(N)=N/C(=O)NCc2ccccc2)cc1 | 10.1021/acs.jmedchem.1c00692 | |||
| CHEMBL5209021 | 193041 | 0 | None | 1 | 4 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 380 | 4 | 4 | 4 | 3.3 | Cc1nc(N)sc1-c1ccc(N/C(N)=N/C(=O)NCc2ccccc2)cc1 | 10.1021/acs.jmedchem.1c00692 | |||
| CHEMBL5222929 | 193041 | 0 | None | 1 | 4 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 380 | 4 | 4 | 4 | 3.3 | Cc1nc(N)sc1-c1ccc(N/C(N)=N/C(=O)NCc2ccccc2)cc1 | 10.1021/acs.jmedchem.1c00692 | |||
| 44304459 | 172600 | 0 | None | -575 | 3 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 418 | 13 | 0 | 5 | 4.8 | CCCCCCCC(=O)c1ccc(OCCCN2CCN(C(=O)OCC)CC2)cc1 | 10.1016/s0960-894x(02)00309-8 | |||
| CHEMBL449040 | 172600 | 0 | None | -575 | 3 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 418 | 13 | 0 | 5 | 4.8 | CCCCCCCC(=O)c1ccc(OCCCN2CCN(C(=O)OCC)CC2)cc1 | 10.1016/s0960-894x(02)00309-8 | |||
| 53320569 | 56854 | 0 | None | 3 | 2 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 269 | 3 | 1 | 1 | 3.1 | Fc1cccc(CN[C@H]2C3C4CC5C6C4CC3C6C52)c1 | 10.1016/j.bmcl.2010.11.075 | |||
| CHEMBL1643899 | 56854 | 0 | None | 3 | 2 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 269 | 3 | 1 | 1 | 3.1 | Fc1cccc(CN[C@H]2C3C4CC5C6C4CC3C6C52)c1 | 10.1016/j.bmcl.2010.11.075 | |||
| 53320569 | 56854 | 0 | None | 3 | 2 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 269 | 3 | 1 | 1 | 3.1 | Fc1cccc(CN[C@H]2C3C4CC5C6C4CC3C6C52)c1 | 10.1016/j.bmc.2013.07.045 | |||
| CHEMBL1643899 | 56854 | 0 | None | 3 | 2 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 269 | 3 | 1 | 1 | 3.1 | Fc1cccc(CN[C@H]2C3C4CC5C6C4CC3C6C52)c1 | 10.1016/j.bmc.2013.07.045 | |||
| 3823 | 50221 | 42 | None | -66 | 10 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 530 | 7 | 0 | 7 | 4.2 | CC(=O)N1CCN(c2ccc(OCC3COC(Cn4ccnc4)(c4ccc(Cl)cc4Cl)O3)cc2)CC1 | nan | |||
| 76973198 | 50221 | 42 | None | -66 | 10 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 530 | 7 | 0 | 7 | 4.2 | CC(=O)N1CCN(c2ccc(OCC3COC(Cn4ccnc4)(c4ccc(Cl)cc4Cl)O3)cc2)CC1 | nan | |||
| CHEMBL157101 | 50221 | 42 | None | -66 | 10 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 530 | 7 | 0 | 7 | 4.2 | CC(=O)N1CCN(c2ccc(OCC3COC(Cn4ccnc4)(c4ccc(Cl)cc4Cl)O3)cc2)CC1 | nan | |||
| 168283536 | 192900 | 0 | None | -53 | 4 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 312 | 8 | 3 | 4 | 1.6 | CCCCCNC(=O)/N=C(/N)NCCCc1nnc(C)s1 | 10.1021/acs.jmedchem.1c00692 | |||
| CHEMBL5187758 | 192900 | 0 | None | -53 | 4 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 312 | 8 | 3 | 4 | 1.6 | CCCCCNC(=O)/N=C(/N)NCCCc1nnc(C)s1 | 10.1021/acs.jmedchem.1c00692 | |||
| CHEMBL5222074 | 192900 | 0 | None | -53 | 4 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 312 | 8 | 3 | 4 | 1.6 | CCCCCNC(=O)/N=C(/N)NCCCc1nnc(C)s1 | 10.1021/acs.jmedchem.1c00692 | |||
| 44304021 | 102795 | 0 | None | -562 | 3 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 374 | 8 | 0 | 5 | 3.4 | CCOC(=O)N1CCN(CCCOc2ccc(C(=O)C=C(C)C)cc2)CC1 | 10.1016/s0960-894x(02)00309-8 | |||
| CHEMBL305313 | 102795 | 0 | None | -562 | 3 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 374 | 8 | 0 | 5 | 3.4 | CCOC(=O)N1CCN(CCCOc2ccc(C(=O)C=C(C)C)cc2)CC1 | 10.1016/s0960-894x(02)00309-8 | |||
| 168278471 | 192848 | 0 | None | -18 | 6 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 312 | 8 | 4 | 4 | 1.5 | CCCCCNC(=O)/N=C(\N)NCCCc1cnc(N)s1 | 10.1021/acs.jmedchem.1c00692 | |||
| CHEMBL5183205 | 192848 | 0 | None | -18 | 6 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 312 | 8 | 4 | 4 | 1.5 | CCCCCNC(=O)/N=C(\N)NCCCc1cnc(N)s1 | 10.1021/acs.jmedchem.1c00692 | |||
| CHEMBL5221757 | 192848 | 0 | None | -18 | 6 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 312 | 8 | 4 | 4 | 1.5 | CCCCCNC(=O)/N=C(\N)NCCCc1cnc(N)s1 | 10.1021/acs.jmedchem.1c00692 | |||
| 44334235 | 4631 | 0 | None | -199 | 3 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 442 | 10 | 1 | 5 | 3.4 | Cc1ccccc1S(=O)(=O)N[C@H]1CCN(CCCOc2ccc(C(=O)C3CC3)cc2)C1 | 10.1016/s0960-894x(02)00685-6 | |||
| CHEMBL102929 | 4631 | 0 | None | -199 | 3 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 442 | 10 | 1 | 5 | 3.4 | Cc1ccccc1S(=O)(=O)N[C@H]1CCN(CCCOc2ccc(C(=O)C3CC3)cc2)C1 | 10.1016/s0960-894x(02)00685-6 | |||
| 44334503 | 4995 | 0 | None | -144 | 3 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 349 | 9 | 3 | 6 | 0.2 | CC(=O)c1ccc(OCCCN2CC[C@H](NC(=O)[C@@H](N)CO)C2)cc1 | 10.1016/s0960-894x(02)00685-6 | |||
| CHEMBL104994 | 4995 | 0 | None | -144 | 3 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 349 | 9 | 3 | 6 | 0.2 | CC(=O)c1ccc(OCCCN2CC[C@H](NC(=O)[C@@H](N)CO)C2)cc1 | 10.1016/s0960-894x(02)00685-6 | |||
| 44304036 | 96782 | 0 | None | -407 | 3 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 360 | 8 | 0 | 5 | 3.0 | C=C(C)C(=O)c1ccc(OCCCN2CCN(C(=O)OCC)CC2)cc1 | 10.1016/s0960-894x(02)00309-8 | |||
| CHEMBL264761 | 96782 | 0 | None | -407 | 3 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 360 | 8 | 0 | 5 | 3.0 | C=C(C)C(=O)c1ccc(OCCCN2CCN(C(=O)OCC)CC2)cc1 | 10.1016/s0960-894x(02)00309-8 | |||
| 44304269 | 100544 | 0 | None | -3548 | 3 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 423 | 11 | 0 | 5 | 4.1 | CCCCCC(=O)c1ccc(OCCCN2CCN(C(=O)c3ccncc3)CC2)cc1 | 10.1016/s0960-894x(02)00309-8 | |||
| CHEMBL291394 | 100544 | 0 | None | -3548 | 3 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 423 | 11 | 0 | 5 | 4.1 | CCCCCC(=O)c1ccc(OCCCN2CCN(C(=O)c3ccncc3)CC2)cc1 | 10.1016/s0960-894x(02)00309-8 | |||
| 44304037 | 102693 | 0 | None | -6165 | 3 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 362 | 9 | 0 | 5 | 3.2 | CCCC(=O)c1ccc(OCCCN2CCN(C(=O)OCC)CC2)cc1 | 10.1016/s0960-894x(02)00309-8 | |||
| CHEMBL304714 | 102693 | 0 | None | -6165 | 3 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 362 | 9 | 0 | 5 | 3.2 | CCCC(=O)c1ccc(OCCCN2CCN(C(=O)OCC)CC2)cc1 | 10.1016/s0960-894x(02)00309-8 | |||
| CHEMBL5094083 | 215467 | 0 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | None | None | None | C=C(/N=C(\C)NCCCc1nnc(N)s1)NCCCCCCCCN | 10.1016/j.bmcl.2021.128388 | |||||
| 164611143 | 184716 | 0 | None | 75 | 4 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 414 | 6 | 4 | 4 | 2.9 | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NC(c1ccccc1)C(F)(F)F | 10.1016/j.ejmech.2021.113190 | |||
| CHEMBL4850448 | 184716 | 0 | None | 75 | 4 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 414 | 6 | 4 | 4 | 2.9 | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NC(c1ccccc1)C(F)(F)F | 10.1016/j.ejmech.2021.113190 | |||
| 44304438 | 203168 | 0 | None | -2089 | 3 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 420 | 13 | 0 | 5 | 4.1 | CCCCCC(=O)c1ccc(OCCCN2CCN(C(=O)CSCC)CC2)cc1 | 10.1016/s0960-894x(02)00309-8 | |||
| CHEMBL64235 | 203168 | 0 | None | -2089 | 3 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 420 | 13 | 0 | 5 | 4.1 | CCCCCC(=O)c1ccc(OCCCN2CCN(C(=O)CSCC)CC2)cc1 | 10.1016/s0960-894x(02)00309-8 | |||
| 44304307 | 203233 | 0 | None | -3548 | 3 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 388 | 12 | 0 | 4 | 4.2 | CCCCCC(=O)c1ccc(OCCCN2CCN(C(=O)CCC)CC2)cc1 | 10.1016/s0960-894x(02)00309-8 | |||
| CHEMBL64479 | 203233 | 0 | None | -3548 | 3 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 388 | 12 | 0 | 4 | 4.2 | CCCCCC(=O)c1ccc(OCCCN2CCN(C(=O)CCC)CC2)cc1 | 10.1016/s0960-894x(02)00309-8 | |||
| 44335405 | 5103 | 0 | None | -194 | 4 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 321 | 6 | 1 | 4 | 2.9 | N#Cc1ccc(-c2ccc(OCCCN3CCNCC3)cc2)cc1 | 10.1016/s0960-894x(02)00648-0 | |||
| CHEMBL105594 | 5103 | 0 | None | -194 | 4 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 321 | 6 | 1 | 4 | 2.9 | N#Cc1ccc(-c2ccc(OCCCN3CCNCC3)cc2)cc1 | 10.1016/s0960-894x(02)00648-0 | |||
| 44304415 | 202028 | 0 | None | -9549 | 3 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 505 | 13 | 2 | 7 | 3.2 | CCCCCC(=O)c1ccc(OCCCN2CCN(C(=O)[C@@H](CO)NC(=O)OC(C)(C)C)CC2)cc1 | 10.1016/s0960-894x(02)00310-4 | |||
| CHEMBL60837 | 202028 | 0 | None | -9549 | 3 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 505 | 13 | 2 | 7 | 3.2 | CCCCCC(=O)c1ccc(OCCCN2CCN(C(=O)[C@@H](CO)NC(=O)OC(C)(C)C)CC2)cc1 | 10.1016/s0960-894x(02)00310-4 | |||
| 1971 | 2866 | 38 | None | -22 | 30 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 263 | 3 | 1 | 1 | 3.8 | CNCCC=C1c2ccccc2CCc2c1cccc2 | nan | |||
| 2404 | 2866 | 38 | None | -22 | 30 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 263 | 3 | 1 | 1 | 3.8 | CNCCC=C1c2ccccc2CCc2c1cccc2 | nan | |||
| 4543 | 2866 | 38 | None | -22 | 30 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 263 | 3 | 1 | 1 | 3.8 | CNCCC=C1c2ccccc2CCc2c1cccc2 | nan | |||
| CHEMBL445 | 2866 | 38 | None | -22 | 30 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 263 | 3 | 1 | 1 | 3.8 | CNCCC=C1c2ccccc2CCc2c1cccc2 | nan | |||
| DB00540 | 2866 | 38 | None | -22 | 30 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 263 | 3 | 1 | 1 | 3.8 | CNCCC=C1c2ccccc2CCc2c1cccc2 | nan | |||
| 44334214 | 4615 | 0 | None | -380 | 3 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 427 | 9 | 1 | 6 | 2.6 | CC(=O)c1ccc(OCCCN2CC[C@H](NS(=O)(=O)c3ccc(C#N)cc3)C2)cc1 | 10.1016/s0960-894x(02)00685-6 | |||
| CHEMBL102840 | 4615 | 0 | None | -380 | 3 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 427 | 9 | 1 | 6 | 2.6 | CC(=O)c1ccc(OCCCN2CC[C@H](NS(=O)(=O)c3ccc(C#N)cc3)C2)cc1 | 10.1016/s0960-894x(02)00685-6 | |||
| 168268827 | 192779 | 0 | None | 3 | 4 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 450 | 8 | 4 | 4 | 4.8 | Cc1nc(N)sc1-c1cccc(N/C(N)=N/C(=O)NCC(C)CCCc2ccccc2)c1 | 10.1021/acs.jmedchem.1c00692 | |||
| CHEMBL5179906 | 192779 | 0 | None | 3 | 4 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 450 | 8 | 4 | 4 | 4.8 | Cc1nc(N)sc1-c1cccc(N/C(N)=N/C(=O)NCC(C)CCCc2ccccc2)c1 | 10.1021/acs.jmedchem.1c00692 | |||
| CHEMBL5221314 | 192779 | 0 | None | 3 | 4 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 450 | 8 | 4 | 4 | 4.8 | Cc1nc(N)sc1-c1cccc(N/C(N)=N/C(=O)NCC(C)CCCc2ccccc2)c1 | 10.1021/acs.jmedchem.1c00692 | |||
| 168294770 | 193020 | 0 | None | 2 | 4 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 436 | 6 | 4 | 4 | 4.3 | Cc1ccc(CC(C)CNC(=O)/N=C(\N)Nc2cccc(-c3sc(N)nc3C)c2)cc1 | 10.1021/acs.jmedchem.1c00692 | |||
| CHEMBL5208327 | 193020 | 0 | None | 2 | 4 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 436 | 6 | 4 | 4 | 4.3 | Cc1ccc(CC(C)CNC(=O)/N=C(\N)Nc2cccc(-c3sc(N)nc3C)c2)cc1 | 10.1021/acs.jmedchem.1c00692 | |||
| CHEMBL5222806 | 193020 | 0 | None | 2 | 4 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 436 | 6 | 4 | 4 | 4.3 | Cc1ccc(CC(C)CNC(=O)/N=C(\N)Nc2cccc(-c3sc(N)nc3C)c2)cc1 | 10.1021/acs.jmedchem.1c00692 | |||
| 44304325 | 201678 | 0 | None | -1096 | 3 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 389 | 11 | 1 | 4 | 3.6 | CCCCCC(=O)c1ccc(OCCCN2CCN(C(=O)NCC)CC2)cc1 | 10.1016/s0960-894x(02)00309-8 | |||
| CHEMBL60620 | 201678 | 0 | None | -1096 | 3 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 389 | 11 | 1 | 4 | 3.6 | CCCCCC(=O)c1ccc(OCCCN2CCN(C(=O)NCC)CC2)cc1 | 10.1016/s0960-894x(02)00309-8 | |||
| 44335368 | 5050 | 0 | None | -63 | 3 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 393 | 7 | 0 | 5 | 3.8 | CCOC(=O)N1CCN(CCCOc2ccc(-c3cccc(C#N)c3)cc2)CC1 | 10.1016/s0960-894x(02)00648-0 | |||
| CHEMBL105268 | 5050 | 0 | None | -63 | 3 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 393 | 7 | 0 | 5 | 3.8 | CCOC(=O)N1CCN(CCCOc2ccc(-c3cccc(C#N)c3)cc2)CC1 | 10.1016/s0960-894x(02)00648-0 | |||
| 44335238 | 5089 | 0 | None | -11220 | 4 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 348 | 6 | 0 | 3 | 5.3 | CC1CCCC(C)N1CCCOc1ccc(-c2ccc(C#N)cc2)cc1 | 10.1016/s0960-894x(02)00648-0 | |||
| CHEMBL105515 | 5089 | 0 | None | -11220 | 4 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 348 | 6 | 0 | 3 | 5.3 | CC1CCCC(C)N1CCCOc1ccc(-c2ccc(C#N)cc2)cc1 | 10.1016/s0960-894x(02)00648-0 | |||
| 44333987 | 108549 | 0 | None | -26 | 3 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 433 | 9 | 2 | 6 | 2.8 | CC(=O)c1ccc(OCCCN2CC[C@H](NC(=O)[C@H](C)NC(=O)OC(C)(C)C)C2)cc1 | 10.1016/s0960-894x(02)00685-6 | |||
| CHEMBL320174 | 108549 | 0 | None | -26 | 3 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 433 | 9 | 2 | 6 | 2.8 | CC(=O)c1ccc(OCCCN2CC[C@H](NC(=O)[C@H](C)NC(=O)OC(C)(C)C)C2)cc1 | 10.1016/s0960-894x(02)00685-6 | |||
| 44582675 | 189701 | 0 | None | -40 | 15 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 405 | 9 | 1 | 4 | 4.2 | COc1c(OCCF)cccc1[C@H](O)C1CCN(CCc2ccc(F)cc2)CC1 | 10.1016/j.bmc.2009.03.021 | |||
| CHEMBL515472 | 189701 | 0 | None | -40 | 15 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 405 | 9 | 1 | 4 | 4.2 | COc1c(OCCF)cccc1[C@H](O)C1CCN(CCc2ccc(F)cc2)CC1 | 10.1016/j.bmc.2009.03.021 | |||
| 168283321 | 192895 | 0 | None | 2 | 4 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 364 | 7 | 4 | 4 | 2.3 | Cc1nc(N)oc1CCCN/C(N)=N/C(=O)NCC(C)C1CCCCC1 | 10.1021/acs.jmedchem.1c00692 | |||
| CHEMBL5183015 | 192895 | 0 | None | 2 | 4 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 364 | 7 | 4 | 4 | 2.3 | Cc1nc(N)oc1CCCN/C(N)=N/C(=O)NCC(C)C1CCCCC1 | 10.1021/acs.jmedchem.1c00692 | |||
| CHEMBL5222057 | 192895 | 0 | None | 2 | 4 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 364 | 7 | 4 | 4 | 2.3 | Cc1nc(N)oc1CCCN/C(N)=N/C(=O)NCC(C)C1CCCCC1 | 10.1021/acs.jmedchem.1c00692 | |||
| 44304437 | 100996 | 0 | None | -426 | 3 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 404 | 11 | 1 | 5 | 3.1 | CCCCCC(=O)c1ccc(OCCCN2CCN(C(=O)C(C)(C)O)CC2)cc1 | 10.1016/s0960-894x(02)00309-8 | |||
| CHEMBL294349 | 100996 | 0 | None | -426 | 3 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 404 | 11 | 1 | 5 | 3.1 | CCCCCC(=O)c1ccc(OCCCN2CCN(C(=O)C(C)(C)O)CC2)cc1 | 10.1016/s0960-894x(02)00309-8 | |||
| 44304049 | 102138 | 0 | None | -891 | 3 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 421 | 9 | 1 | 5 | 2.9 | N[C@@H](C(=O)N1CCN(CCCOc2ccc(C(=O)C3CC3)cc2)CC1)c1ccccc1 | 10.1016/s0960-894x(02)00310-4 | |||
| CHEMBL302468 | 102138 | 0 | None | -891 | 3 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 421 | 9 | 1 | 5 | 2.9 | N[C@@H](C(=O)N1CCN(CCCOc2ccc(C(=O)C3CC3)cc2)CC1)c1ccccc1 | 10.1016/s0960-894x(02)00310-4 | |||
| 146025727 | 171685 | 0 | None | -93 | 27 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 411 | 3 | 0 | 5 | 6.4 | FC(F)(F)c1cc(Oc2nccc3ccsc23)ccc1-c1cccc2nccn12 | 10.1021/acs.jmedchem.9b00351 | |||
| CHEMBL4466483 | 171685 | 0 | None | -93 | 27 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 411 | 3 | 0 | 5 | 6.4 | FC(F)(F)c1cc(Oc2nccc3ccsc23)ccc1-c1cccc2nccn12 | 10.1021/acs.jmedchem.9b00351 | |||
| CHEMBL5087637 | 215555 | 0 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | None | None | None | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NCCCCCCNC(=O)CCCCCN1/C(=C/C=C/C=C/C2=[N+](CCCCS(=O)(=O)[O-])c3ccccc3C2(C)C)c2ccccc2C1(C)C | 10.1016/j.bmcl.2021.128388 | |||||
| CHEMBL5095891 | 215555 | 0 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | None | None | None | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NCCCCCCNC(=O)CCCCCN1/C(=C/C=C/C=C/C2=[N+](CCCCS(=O)(=O)[O-])c3ccccc3C2(C)C)c2ccccc2C1(C)C | 10.1016/j.bmcl.2021.128388 | |||||
| 44304304 | 170063 | 0 | None | -3981 | 3 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 423 | 9 | 0 | 6 | 3.5 | CCOC(=O)N1CCN(CCCOc2ccc(C(=O)/C=C/c3cccnc3)cc2)CC1 | 10.1016/s0960-894x(02)00309-8 | |||
| CHEMBL444307 | 170063 | 0 | None | -3981 | 3 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 423 | 9 | 0 | 6 | 3.5 | CCOC(=O)N1CCN(CCCOc2ccc(C(=O)/C=C/c3cccnc3)cc2)CC1 | 10.1016/s0960-894x(02)00309-8 | |||
| 1248 | 1424 | 28 | None | -123 | 6 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 161 | 4 | 2 | 3 | 0.6 | CN(CCCSC(=N)N)C | 10.1016/j.bmcl.2010.10.041 | |||
| 3077 | 1424 | 28 | None | -123 | 6 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 161 | 4 | 2 | 3 | 0.6 | CN(CCCSC(=N)N)C | 10.1016/j.bmcl.2010.10.041 | |||
| 90045 | 1424 | 28 | None | -123 | 6 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 161 | 4 | 2 | 3 | 0.6 | CN(CCCSC(=N)N)C | 10.1016/j.bmcl.2010.10.041 | |||
| CHEMBL12344 | 1424 | 28 | None | -123 | 6 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 161 | 4 | 2 | 3 | 0.6 | CN(CCCSC(=N)N)C | 10.1016/j.bmcl.2010.10.041 | |||
| 145988693 | 167166 | 0 | None | -10 | 17 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 524 | 7 | 1 | 3 | 7.1 | OC1(c2ccc(Cl)c(C(F)(F)F)c2)CCN(CCCN(c2ccc(F)cc2)c2ccc(F)cc2)CC1 | 10.1016/j.bmcl.2018.10.036 | |||
| CHEMBL4291048 | 167166 | 0 | None | -10 | 17 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 524 | 7 | 1 | 3 | 7.1 | OC1(c2ccc(Cl)c(C(F)(F)F)c2)CCN(CCCN(c2ccc(F)cc2)c2ccc(F)cc2)CC1 | 10.1016/j.bmcl.2018.10.036 | |||
| 2520 | 204008 | 70 | None | -20 | 12 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 454 | 13 | 0 | 6 | 5.1 | COc1ccc(CCN(C)CCCC(C#N)(c2ccc(OC)c(OC)c2)C(C)C)cc1OC | nan | |||
| CHEMBL1280 | 204008 | 70 | None | -20 | 12 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 454 | 13 | 0 | 6 | 5.1 | COc1ccc(CCN(C)CCCC(C#N)(c2ccc(OC)c(OC)c2)C(C)C)cc1OC | nan | |||
| CHEMBL6966 | 204008 | 70 | None | -20 | 12 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 454 | 13 | 0 | 6 | 5.1 | COc1ccc(CCN(C)CCCC(C#N)(c2ccc(OC)c(OC)c2)C(C)C)cc1OC | nan | |||
| 2726 | 919 | 68 | None | -85 | 72 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | nan | |||
| 621 | 919 | 68 | None | -85 | 72 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | nan | |||
| 83 | 919 | 68 | None | -85 | 72 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | nan | |||
| CHEMBL71 | 919 | 68 | None | -85 | 72 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | nan | |||
| DB00477 | 919 | 68 | None | -85 | 72 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | nan | |||
| CHEMBL5273718 | 193774 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 297 | 8 | 2 | 8 | 1.7 | CN(C)Cc1ccc(CSCCNc2nonc2N)o1 | 10.1021/acs.jmedchem.0c01901 | |||
| 168273745 | 192808 | 0 | None | -13 | 6 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 332 | 6 | 4 | 4 | 1.5 | N/C(=N\C(=O)NCc1ccccc1)NCCCc1cnc(N)s1 | 10.1021/acs.jmedchem.1c00692 | |||
| CHEMBL5178472 | 192808 | 0 | None | -13 | 6 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 332 | 6 | 4 | 4 | 1.5 | N/C(=N\C(=O)NCc1ccccc1)NCCCc1cnc(N)s1 | 10.1021/acs.jmedchem.1c00692 | |||
| CHEMBL5221451 | 192808 | 0 | None | -13 | 6 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 332 | 6 | 4 | 4 | 1.5 | N/C(=N\C(=O)NCc1ccccc1)NCCCc1cnc(N)s1 | 10.1021/acs.jmedchem.1c00692 | |||
| 155543832 | 173211 | 0 | None | -234 | 7 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 451 | 6 | 3 | 7 | 3.4 | O[C@H]1[C@H](n2cnc3c(NC(C4CCC4)C4CCC4)nc(Cl)nc32)[C@H]2C[C@@]2(CCl)[C@H]1O | 10.1021/acs.jmedchem.8b01662 | |||
| CHEMBL4522864 | 173211 | 0 | None | -234 | 7 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 451 | 6 | 3 | 7 | 3.4 | O[C@H]1[C@H](n2cnc3c(NC(C4CCC4)C4CCC4)nc(Cl)nc32)[C@H]2C[C@@]2(CCl)[C@H]1O | 10.1021/acs.jmedchem.8b01662 | |||
| 1204 | 1932 | 119 | None | -173 | 24 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1016/j.bmcl.2021.128388 | |||
| 1247 | 1932 | 119 | None | -173 | 24 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1016/j.bmcl.2021.128388 | |||
| 1375 | 1932 | 119 | None | -173 | 24 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1016/j.bmcl.2021.128388 | |||
| 774 | 1932 | 119 | None | -173 | 24 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1016/j.bmcl.2021.128388 | |||
| CHEMBL90 | 1932 | 119 | None | -173 | 24 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1016/j.bmcl.2021.128388 | |||
| DB05381 | 1932 | 119 | None | -173 | 24 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1016/j.bmcl.2021.128388 | |||
| CHEMBL5077939 | 215541 | 0 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | None | None | None | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NCCCCCCCCNC(=O)CCCCCN1/C(=C/C=C/C=C/C2=[N+](CCCCS(=O)(=O)O)c3ccccc3C2(C)C)c2cc(S(=O)(=O)[O-])ccc2C1(C)C | 10.1016/j.bmcl.2021.128388 | |||||
| CHEMBL5095769 | 215541 | 0 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | None | None | None | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NCCCCCCCCNC(=O)CCCCCN1/C(=C/C=C/C=C/C2=[N+](CCCCS(=O)(=O)O)c3ccccc3C2(C)C)c2cc(S(=O)(=O)[O-])ccc2C1(C)C | 10.1016/j.bmcl.2021.128388 | |||||
| CHEMBL5093461 | 215553 | 0 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | None | None | None | CC1(C)C(/C=C/C=C/C=C2\c3ccccc3C(C)(C)N2CCCCCC(=O)NCCCCCCCCNC(=O)/N=C(\N)NCCCc2nnc(N)s2)=[N+](CCCCS(=O)(=O)[O-])c2ccccc21 | 10.1016/j.bmcl.2021.128388 | |||||
| CHEMBL5095884 | 215553 | 0 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | None | None | None | CC1(C)C(/C=C/C=C/C=C2\c3ccccc3C(C)(C)N2CCCCCC(=O)NCCCCCCCCNC(=O)/N=C(\N)NCCCc2nnc(N)s2)=[N+](CCCCS(=O)(=O)[O-])c2ccccc21 | 10.1016/j.bmcl.2021.128388 | |||||
| 1204 | 1932 | 119 | None | -173 | 24 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1016/j.ejmech.2021.113190 | |||
| 1247 | 1932 | 119 | None | -173 | 24 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1016/j.ejmech.2021.113190 | |||
| 1375 | 1932 | 119 | None | -173 | 24 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1016/j.ejmech.2021.113190 | |||
| 774 | 1932 | 119 | None | -173 | 24 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1016/j.ejmech.2021.113190 | |||
| CHEMBL90 | 1932 | 119 | None | -173 | 24 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1016/j.ejmech.2021.113190 | |||
| DB05381 | 1932 | 119 | None | -173 | 24 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1016/j.ejmech.2021.113190 | |||
| 1204 | 1932 | 119 | None | -173 | 24 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.1c00692 | |||
| 1247 | 1932 | 119 | None | -173 | 24 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.1c00692 | |||
| 1375 | 1932 | 119 | None | -173 | 24 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.1c00692 | |||
| 774 | 1932 | 119 | None | -173 | 24 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.1c00692 | |||
| CHEMBL90 | 1932 | 119 | None | -173 | 24 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.1c00692 | |||
| DB05381 | 1932 | 119 | None | -173 | 24 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.1c00692 | |||
| 156015793 | 178259 | 0 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 880 | 23 | 3 | 8 | 9.5 | C[N+]1=C(/C=C/C=C/C=C2\N(CCCCCC(=O)NCCCCNc3c(NCCCOc4cccc(CN5CCCCC5)c4)c(=O)c3=O)c3ccccc3C2(C)C)C(C)(C)c2ccccc21 | 10.1021/acsmedchemlett.0c00033 | |||
| CHEMBL4645867 | 178259 | 0 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 880 | 23 | 3 | 8 | 9.5 | C[N+]1=C(/C=C/C=C/C=C2\N(CCCCCC(=O)NCCCCNc3c(NCCCOc4cccc(CN5CCCCC5)c4)c(=O)c3=O)c3ccccc3C2(C)C)C(C)(C)c2ccccc21 | 10.1021/acsmedchemlett.0c00033 | |||
| CHEMBL4650701 | 178259 | 0 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 880 | 23 | 3 | 8 | 9.5 | C[N+]1=C(/C=C/C=C/C=C2\N(CCCCCC(=O)NCCCCNc3c(NCCCOc4cccc(CN5CCCCC5)c4)c(=O)c3=O)c3ccccc3C2(C)C)C(C)(C)c2ccccc21 | 10.1021/acsmedchemlett.0c00033 | |||
| 44304091 | 202951 | 0 | None | -338 | 3 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 432 | 14 | 0 | 5 | 5.2 | CCCCCCCCC(=O)c1ccc(OCCCN2CCN(C(=O)OCC)CC2)cc1 | 10.1016/s0960-894x(02)00309-8 | |||
| CHEMBL62949 | 202951 | 0 | None | -338 | 3 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 432 | 14 | 0 | 5 | 5.2 | CCCCCCCCC(=O)c1ccc(OCCCN2CCN(C(=O)OCC)CC2)cc1 | 10.1016/s0960-894x(02)00309-8 | |||
| 44304516 | 165356 | 0 | None | -630 | 3 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 357 | 8 | 1 | 5 | 1.5 | O=C1C[C@H](N2CCN(CCCOc3ccc(C(=O)C4CC4)cc3)CC2)N1 | 10.1016/s0960-894x(02)00310-4 | |||
| CHEMBL423666 | 165356 | 0 | None | -630 | 3 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 357 | 8 | 1 | 5 | 1.5 | O=C1C[C@H](N2CCN(CCCOc3ccc(C(=O)C4CC4)cc3)CC2)N1 | 10.1016/s0960-894x(02)00310-4 | |||
| 18609376 | 204359 | 63 | None | - | 1 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 386 | 2 | 0 | 4 | 4.7 | CC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3C[C@H](C)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C | nan | |||
| 6279 | 204359 | 63 | None | - | 1 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 386 | 2 | 0 | 4 | 4.7 | CC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3C[C@H](C)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C | nan | |||
| CHEMBL717 | 204359 | 63 | None | - | 1 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 386 | 2 | 0 | 4 | 4.7 | CC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3C[C@H](C)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C | nan | |||
| 44304256 | 168019 | 0 | None | -1000 | 3 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 360 | 12 | 0 | 4 | 4.2 | CCCCCC(=O)c1ccc(OCCCN2CCN(CCC)CC2)cc1 | 10.1016/s0960-894x(02)00309-8 | |||
| CHEMBL432144 | 168019 | 0 | None | -1000 | 3 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 360 | 12 | 0 | 4 | 4.2 | CCCCCC(=O)c1ccc(OCCCN2CCN(CCC)CC2)cc1 | 10.1016/s0960-894x(02)00309-8 | |||
| 44304032 | 201487 | 0 | None | -616 | 3 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 413 | 11 | 0 | 6 | 3.7 | CCCCCC(=O)c1ccc(OCCCN2CCN(C(=O)c3cnco3)CC2)cc1 | 10.1016/s0960-894x(02)00309-8 | |||
| CHEMBL60509 | 201487 | 0 | None | -616 | 3 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 413 | 11 | 0 | 6 | 3.7 | CCCCCC(=O)c1ccc(OCCCN2CCN(C(=O)c3cnco3)CC2)cc1 | 10.1016/s0960-894x(02)00309-8 | |||
| 53324045 | 57071 | 0 | None | -7 | 16 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 487 | 7 | 1 | 2 | 7.3 | OC1(c2ccc(Cl)c(C(F)(F)F)c2)CCN(CCCC(c2ccccc2)c2ccccc2)CC1 | 10.1016/j.bmcl.2018.10.036 | |||
| CHEMBL1644980 | 57071 | 0 | None | -7 | 16 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 487 | 7 | 1 | 2 | 7.3 | OC1(c2ccc(Cl)c(C(F)(F)F)c2)CCN(CCCC(c2ccccc2)c2ccccc2)CC1 | 10.1016/j.bmcl.2018.10.036 | |||
| 164614549 | 184943 | 0 | None | -2 | 6 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 340 | 9 | 4 | 4 | 2.2 | CCCCCCNC(=O)/N=C(\N)NCCCc1sc(N)nc1C | 10.1016/j.ejmech.2021.113190 | |||
| CHEMBL4853668 | 184943 | 0 | None | -2 | 6 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 340 | 9 | 4 | 4 | 2.2 | CCCCCCNC(=O)/N=C(\N)NCCCc1sc(N)nc1C | 10.1016/j.ejmech.2021.113190 | |||
| 164619208 | 185662 | 0 | None | 446 | 4 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 378 | 6 | 4 | 4 | 2.5 | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NC(C)c1ccccc1F | 10.1016/j.ejmech.2021.113190 | |||
| CHEMBL4864852 | 185662 | 0 | None | 446 | 4 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 378 | 6 | 4 | 4 | 2.5 | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NC(C)c1ccccc1F | 10.1016/j.ejmech.2021.113190 | |||
| 2284 | 3182 | 33 | None | -53 | 29 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 284 | 4 | 0 | 3 | 4.2 | CN(CCCN1c2ccccc2Sc2c1cccc2)C | nan | |||
| 4926 | 3182 | 33 | None | -53 | 29 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 284 | 4 | 0 | 3 | 4.2 | CN(CCCN1c2ccccc2Sc2c1cccc2)C | nan | |||
| 7281 | 3182 | 33 | None | -53 | 29 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 284 | 4 | 0 | 3 | 4.2 | CN(CCCN1c2ccccc2Sc2c1cccc2)C | nan | |||
| CHEMBL564 | 3182 | 33 | None | -53 | 29 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 284 | 4 | 0 | 3 | 4.2 | CN(CCCN1c2ccccc2Sc2c1cccc2)C | nan | |||
| DB00420 | 3182 | 33 | None | -53 | 29 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 284 | 4 | 0 | 3 | 4.2 | CN(CCCN1c2ccccc2Sc2c1cccc2)C | nan | |||
| 71525681 | 89728 | 0 | None | -346 | 6 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 298 | 3 | 2 | 6 | 1.7 | CNC1CN(c2nc(N)nc3cc(C4CCCC4)cnc23)C1 | 10.1016/j.bmcl.2013.02.091 | |||
| CHEMBL2376803 | 89728 | 0 | None | -346 | 6 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 298 | 3 | 2 | 6 | 1.7 | CNC1CN(c2nc(N)nc3cc(C4CCCC4)cnc23)C1 | 10.1016/j.bmcl.2013.02.091 | |||
| 132060743 | 162236 | 0 | None | -1 | 13 | Human | 6.5 | pKi | = | 6.5 | 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 | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 351 | 3 | 0 | 4 | 3.1 | CN1CCN(c2ccc3c(c2)CN(C(=O)OCc2ccccc2)C3)CC1 | 10.1016/j.ejmech.2018.02.024 | |||
| 3191 | 102858 | 97 | None | -24 | 25 | Human | 5.5 | pKi | = | 5.5 | 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 | -24 | 25 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 469 | 9 | 0 | 3 | 7.2 | CC(C)(C)c1ccc(C(=O)CCCN2CCC(OC(c3ccccc3)c3ccccc3)CC2)cc1 | nan | |||
| 44335387 | 108550 | 0 | None | -1023 | 4 | Human | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 393 | 7 | 0 | 5 | 3.8 | CCOC(=O)N1CCN(CCCOc2ccc(-c3ccc(C#N)cc3)cc2)CC1 | 10.1016/s0960-894x(02)00648-0 | |||
| CHEMBL320178 | 108550 | 0 | None | -1023 | 4 | Human | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 393 | 7 | 0 | 5 | 3.8 | CCOC(=O)N1CCN(CCCOc2ccc(-c3ccc(C#N)cc3)cc2)CC1 | 10.1016/s0960-894x(02)00648-0 | |||
| 44334406 | 4863 | 0 | None | -75 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 462 | 10 | 1 | 5 | 3.8 | O=C(c1ccc(OCCCN2CC[C@H](NS(=O)(=O)c3ccc(Cl)cc3)C2)cc1)C1CC1 | 10.1016/s0960-894x(02)00685-6 | |||
| CHEMBL104344 | 4863 | 0 | None | -75 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 462 | 10 | 1 | 5 | 3.8 | O=C(c1ccc(OCCCN2CC[C@H](NS(=O)(=O)c3ccc(Cl)cc3)C2)cc1)C1CC1 | 10.1016/s0960-894x(02)00685-6 | |||
| 44334368 | 109217 | 0 | None | -57 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 506 | 10 | 1 | 5 | 3.9 | O=C(c1ccc(OCCCN2CC[C@H](NS(=O)(=O)c3ccc(Br)cc3)C2)cc1)C1CC1 | 10.1016/s0960-894x(02)00685-6 | |||
| CHEMBL321709 | 109217 | 0 | None | -57 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 506 | 10 | 1 | 5 | 3.9 | O=C(c1ccc(OCCCN2CC[C@H](NS(=O)(=O)c3ccc(Br)cc3)C2)cc1)C1CC1 | 10.1016/s0960-894x(02)00685-6 | |||
| 1204 | 1932 | 119 | None | -173 | 24 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acsmedchemlett.0c00033 | |||
| 1247 | 1932 | 119 | None | -173 | 24 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acsmedchemlett.0c00033 | |||
| 1375 | 1932 | 119 | None | -173 | 24 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acsmedchemlett.0c00033 | |||
| 774 | 1932 | 119 | None | -173 | 24 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acsmedchemlett.0c00033 | |||
| CHEMBL90 | 1932 | 119 | None | -173 | 24 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acsmedchemlett.0c00033 | |||
| DB05381 | 1932 | 119 | None | -173 | 24 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acsmedchemlett.0c00033 | |||
| 44304291 | 202852 | 0 | None | -6606 | 3 | Human | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 388 | 11 | 0 | 4 | 4.0 | CCCCCC(=O)c1ccc(OCCCN2CCN(C(=O)C(C)C)CC2)cc1 | 10.1016/s0960-894x(02)00309-8 | |||
| CHEMBL62527 | 202852 | 0 | None | -6606 | 3 | Human | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 388 | 11 | 0 | 4 | 4.0 | CCCCCC(=O)c1ccc(OCCCN2CCN(C(=O)C(C)C)CC2)cc1 | 10.1016/s0960-894x(02)00309-8 | |||
| 168294767 | 193019 | 0 | None | -117 | 20 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 313 | 8 | 4 | 5 | 0.9 | CCCCCNC(=O)/N=C(\N)NCCCc1nnc(N)s1 | 10.1021/acs.jmedchem.1c00692 | |||
| CHEMBL5207281 | 193019 | 0 | None | -117 | 20 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 313 | 8 | 4 | 5 | 0.9 | CCCCCNC(=O)/N=C(\N)NCCCc1nnc(N)s1 | 10.1021/acs.jmedchem.1c00692 | |||
| CHEMBL5222802 | 193019 | 0 | None | -117 | 20 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 313 | 8 | 4 | 5 | 0.9 | CCCCCNC(=O)/N=C(\N)NCCCc1nnc(N)s1 | 10.1021/acs.jmedchem.1c00692 | |||
| CHEMBL5078202 | 215536 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | None | None | None | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NCCCCCCCCNC(=O)CCCCCNC(=O)COc1ccc(/C=C/C2=[N+]3C(=Cc4ccc(-c5cccs5)n4[B-]3(F)F)C=C2)cc1 | 10.1016/j.bmcl.2021.128388 | |||||
| CHEMBL5095695 | 215536 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | None | None | None | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NCCCCCCCCNC(=O)CCCCCNC(=O)COc1ccc(/C=C/C2=[N+]3C(=Cc4ccc(-c5cccs5)n4[B-]3(F)F)C=C2)cc1 | 10.1016/j.bmcl.2021.128388 | |||||
| 164627241 | 186429 | 0 | None | 95 | 4 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 438 | 6 | 4 | 4 | 3.1 | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NC(C)c1ccc(Br)cc1 | 10.1016/j.ejmech.2021.113190 | |||
| CHEMBL4876267 | 186429 | 0 | None | 95 | 4 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 438 | 6 | 4 | 4 | 3.1 | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NC(C)c1ccc(Br)cc1 | 10.1016/j.ejmech.2021.113190 | |||
| 164618508 | 185932 | 0 | None | 165 | 4 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 374 | 6 | 4 | 4 | 2.7 | Cc1ccc(C(C)NC(=O)/N=C(\N)NCCCc2sc(N)nc2C)cc1 | 10.1016/j.ejmech.2021.113190 | |||
| CHEMBL4869194 | 185932 | 0 | None | 165 | 4 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 374 | 6 | 4 | 4 | 2.7 | Cc1ccc(C(C)NC(=O)/N=C(\N)NCCCc2sc(N)nc2C)cc1 | 10.1016/j.ejmech.2021.113190 | |||
| 10324985 | 76781 | 8 | None | -223 | 17 | Human | 6.5 | pKi | = | 6.5 | 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 | -223 | 17 | Human | 6.5 | pKi | = | 6.5 | 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 | -223 | 17 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 423 | 7 | 0 | 8 | 1.7 | COc1ccc2cccc(N3CCN(CCCCn4ncc(=O)n(C)c4=O)CC3)c2c1 | 10.1021/jm050725j | |||
| 156010170 | 178334 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 414 | 13 | 3 | 7 | 2.3 | NCCCCNc1c(NCCCOc2cccc(CN3CCCCC3)c2)c(=O)c1=O | 10.1021/acsmedchemlett.0c00033 | |||
| CHEMBL4632998 | 178334 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 414 | 13 | 3 | 7 | 2.3 | NCCCCNc1c(NCCCOc2cccc(CN3CCCCC3)c2)c(=O)c1=O | 10.1021/acsmedchemlett.0c00033 | |||
| CHEMBL4651192 | 178334 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 414 | 13 | 3 | 7 | 2.3 | NCCCCNc1c(NCCCOc2cccc(CN3CCCCC3)c2)c(=O)c1=O | 10.1021/acsmedchemlett.0c00033 | |||
| 168277996 | 192846 | 0 | None | -20 | 4 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 380 | 4 | 4 | 4 | 3.3 | Cc1nc(N)sc1-c1cccc(N/C(N)=N/C(=O)NCc2ccccc2)c1 | 10.1021/acs.jmedchem.1c00692 | |||
| CHEMBL5173373 | 192846 | 0 | None | -20 | 4 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 380 | 4 | 4 | 4 | 3.3 | Cc1nc(N)sc1-c1cccc(N/C(N)=N/C(=O)NCc2ccccc2)c1 | 10.1021/acs.jmedchem.1c00692 | |||
| CHEMBL5221736 | 192846 | 0 | None | -20 | 4 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 380 | 4 | 4 | 4 | 3.3 | Cc1nc(N)sc1-c1cccc(N/C(N)=N/C(=O)NCc2ccccc2)c1 | 10.1021/acs.jmedchem.1c00692 | |||
| 168278543 | 192851 | 0 | None | 2 | 4 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 358 | 4 | 4 | 4 | 1.6 | N/C(=N\C(=O)NCc1ccccc1)NCC1CCc2nc(N)sc2C1 | 10.1021/acs.jmedchem.1c00692 | |||
| CHEMBL5184846 | 192851 | 0 | None | 2 | 4 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 358 | 4 | 4 | 4 | 1.6 | N/C(=N\C(=O)NCc1ccccc1)NCC1CCc2nc(N)sc2C1 | 10.1021/acs.jmedchem.1c00692 | |||
| CHEMBL5221764 | 192851 | 0 | None | 2 | 4 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 358 | 4 | 4 | 4 | 1.6 | N/C(=N\C(=O)NCc1ccccc1)NCC1CCc2nc(N)sc2C1 | 10.1021/acs.jmedchem.1c00692 | |||
| 1599 | 2341 | 50 | None | -154 | 16 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 476 | 7 | 1 | 3 | 5.1 | Clc1ccc(cc1)C1(O)CCN(CC1)CCC(C(=O)N(C)C)(c1ccccc1)c1ccccc1 | nan | |||
| 3955 | 2341 | 50 | None | -154 | 16 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 476 | 7 | 1 | 3 | 5.1 | Clc1ccc(cc1)C1(O)CCN(CC1)CCC(C(=O)N(C)C)(c1ccccc1)c1ccccc1 | nan | |||
| 7215 | 2341 | 50 | None | -154 | 16 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 476 | 7 | 1 | 3 | 5.1 | Clc1ccc(cc1)C1(O)CCN(CC1)CCC(C(=O)N(C)C)(c1ccccc1)c1ccccc1 | nan | |||
| CHEMBL841 | 2341 | 50 | None | -154 | 16 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 476 | 7 | 1 | 3 | 5.1 | Clc1ccc(cc1)C1(O)CCN(CC1)CCC(C(=O)N(C)C)(c1ccccc1)c1ccccc1 | nan | |||
| DB00836 | 2341 | 50 | None | -154 | 16 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 476 | 7 | 1 | 3 | 5.1 | Clc1ccc(cc1)C1(O)CCN(CC1)CCC(C(=O)N(C)C)(c1ccccc1)c1ccccc1 | nan | |||
| 73349361 | 92548 | 0 | None | -3 | 7 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 279 | 4 | 0 | 1 | 3.3 | CN(CCc1ccccc1)[C@H]1C2C3CC4C5C3CC2C5C41 | 10.1016/j.bmc.2013.07.045 | |||
| CHEMBL2432058 | 92548 | 0 | None | -3 | 7 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 279 | 4 | 0 | 1 | 3.3 | CN(CCc1ccccc1)[C@H]1C2C3CC4C5C3CC2C5C41 | 10.1016/j.bmc.2013.07.045 | |||
| 168294178 | 193035 | 0 | None | 1 | 4 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 414 | 5 | 4 | 4 | 4.4 | Cc1nc(N)sc1-c1ccc(N/C(N)=N/C(=O)NCC(C)C2CCCCC2)cc1 | 10.1021/acs.jmedchem.1c00692 | |||
| CHEMBL5205197 | 193035 | 0 | None | 1 | 4 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 414 | 5 | 4 | 4 | 4.4 | Cc1nc(N)sc1-c1ccc(N/C(N)=N/C(=O)NCC(C)C2CCCCC2)cc1 | 10.1021/acs.jmedchem.1c00692 | |||
| CHEMBL5222887 | 193035 | 0 | None | 1 | 4 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 414 | 5 | 4 | 4 | 4.4 | Cc1nc(N)sc1-c1ccc(N/C(N)=N/C(=O)NCC(C)C2CCCCC2)cc1 | 10.1021/acs.jmedchem.1c00692 | |||
| 164609493 | 184436 | 0 | None | -1 | 6 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 350 | 6 | 4 | 5 | 1.9 | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NC(C)c1ccco1 | 10.1016/j.ejmech.2021.113190 | |||
| CHEMBL4846380 | 184436 | 0 | None | -1 | 6 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 350 | 6 | 4 | 5 | 1.9 | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NC(C)c1ccco1 | 10.1016/j.ejmech.2021.113190 | |||
| 164614907 | 184584 | 0 | None | 323 | 4 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 378 | 6 | 4 | 4 | 2.5 | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NC(C)c1ccc(F)cc1 | 10.1016/j.ejmech.2021.113190 | |||
| CHEMBL4848697 | 184584 | 0 | None | 323 | 4 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 378 | 6 | 4 | 4 | 2.5 | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NC(C)c1ccc(F)cc1 | 10.1016/j.ejmech.2021.113190 | |||
| 44334521 | 107836 | 0 | None | -36 | 3 | Human | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 262 | 6 | 1 | 4 | 1.7 | CC(=O)c1ccc(OCCCN2CC[C@H](N)C2)cc1 | 10.1016/s0960-894x(02)00685-6 | |||
| CHEMBL319231 | 107836 | 0 | None | -36 | 3 | Human | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 262 | 6 | 1 | 4 | 1.7 | CC(=O)c1ccc(OCCCN2CC[C@H](N)C2)cc1 | 10.1016/s0960-894x(02)00685-6 | |||
| 168286141 | 192924 | 0 | None | 2 | 4 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 450 | 8 | 4 | 4 | 4.8 | Cc1nc(N)sc1-c1ccc(N/C(N)=N/C(=O)NCC(C)CCCc2ccccc2)cc1 | 10.1021/acs.jmedchem.1c00692 | |||
| CHEMBL5192993 | 192924 | 0 | None | 2 | 4 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 450 | 8 | 4 | 4 | 4.8 | Cc1nc(N)sc1-c1ccc(N/C(N)=N/C(=O)NCC(C)CCCc2ccccc2)cc1 | 10.1021/acs.jmedchem.1c00692 | |||
| CHEMBL5222231 | 192924 | 0 | None | 2 | 4 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 450 | 8 | 4 | 4 | 4.8 | Cc1nc(N)sc1-c1ccc(N/C(N)=N/C(=O)NCC(C)CCCc2ccccc2)cc1 | 10.1021/acs.jmedchem.1c00692 | |||
| 50898777 | 56440 | 0 | None | -29512 | 8 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 441 | 9 | 1 | 6 | 3.6 | COC(=O)CCCCCN1CCC(CNC(=O)c2c3n(c4ccccc24)CCCO3)CC1 | 10.1016/j.bmc.2010.10.011 | |||
| CHEMBL1632158 | 56440 | 0 | None | -29512 | 8 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 441 | 9 | 1 | 6 | 3.6 | COC(=O)CCCCCN1CCC(CNC(=O)c2c3n(c4ccccc24)CCCO3)CC1 | 10.1016/j.bmc.2010.10.011 | |||
| 11723317 | 102894 | 0 | None | -100 | 3 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 316 | 9 | 3 | 2 | 2.8 | S=C(NCCCCCc1c[nH]cn1)NCCc1ccccc1 | 10.1021/jm00012a025 | |||
| CHEMBL305929 | 102894 | 0 | None | -100 | 3 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 316 | 9 | 3 | 2 | 2.8 | S=C(NCCCCCc1c[nH]cn1)NCCc1ccccc1 | 10.1021/jm00012a025 | |||
| 164610421 | 185260 | 0 | None | 7 | 2 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 332 | 5 | 4 | 4 | 2.1 | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)Nc1ccccc1 | 10.1016/j.ejmech.2021.113190 | |||
| CHEMBL4858567 | 185260 | 0 | None | 7 | 2 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 332 | 5 | 4 | 4 | 2.1 | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)Nc1ccccc1 | 10.1016/j.ejmech.2021.113190 | |||
| 71525679 | 89726 | 0 | None | -223 | 6 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 272 | 3 | 2 | 6 | 1.0 | CCc1cnc2c(N3CC[C@@H](NC)C3)nc(N)nc2c1 | 10.1016/j.bmcl.2013.02.091 | |||
| CHEMBL2376801 | 89726 | 0 | None | -223 | 6 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 272 | 3 | 2 | 6 | 1.0 | CCc1cnc2c(N3CC[C@@H](NC)C3)nc(N)nc2c1 | 10.1016/j.bmcl.2013.02.091 | |||
| 10420190 | 206760 | 0 | None | -31 | 3 | Human | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 195 | 8 | 2 | 2 | 2.3 | NCCCCCCCCc1c[nH]cn1 | 10.1021/jm00002a008 | |||
| CHEMBL90063 | 206760 | 0 | None | -31 | 3 | Human | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 195 | 8 | 2 | 2 | 2.3 | NCCCCCCCCc1c[nH]cn1 | 10.1021/jm00002a008 | |||
| 44304558 | 101019 | 0 | None | -10000 | 3 | Human | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 374 | 11 | 0 | 4 | 3.8 | CCCCCC(=O)c1ccc(OCCCN2CCN(C(=O)CC)CC2)cc1 | 10.1016/s0960-894x(02)00309-8 | |||
| CHEMBL294502 | 101019 | 0 | None | -10000 | 3 | Human | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 374 | 11 | 0 | 4 | 3.8 | CCCCCC(=O)c1ccc(OCCCN2CCN(C(=O)CC)CC2)cc1 | 10.1016/s0960-894x(02)00309-8 | |||
| 44304288 | 102207 | 0 | None | -14791 | 3 | Human | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 386 | 11 | 0 | 4 | 3.8 | CCCCCC(=O)c1ccc(OCCCN2CCN(C(=O)C3CC3)CC2)cc1 | 10.1016/s0960-894x(02)00309-8 | |||
| CHEMBL302886 | 102207 | 0 | None | -14791 | 3 | Human | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 386 | 11 | 0 | 4 | 3.8 | CCCCCC(=O)c1ccc(OCCCN2CCN(C(=O)C3CC3)CC2)cc1 | 10.1016/s0960-894x(02)00309-8 | |||
| 44304451 | 102290 | 0 | None | -1862 | 3 | Human | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 417 | 12 | 1 | 5 | 3.3 | CCCCCC(=O)c1ccc(OCCCN2CCN(C(=O)[C@H](N)C(C)C)CC2)cc1 | 10.1016/s0960-894x(02)00310-4 | |||
| CHEMBL303369 | 102290 | 0 | None | -1862 | 3 | Human | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 417 | 12 | 1 | 5 | 3.3 | CCCCCC(=O)c1ccc(OCCCN2CCN(C(=O)[C@H](N)C(C)C)CC2)cc1 | 10.1016/s0960-894x(02)00310-4 | |||
| 25128822 | 187481 | 0 | None | -5888 | 5 | Human | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 295 | 1 | 1 | 5 | 1.6 | CN1CCN(c2nc(N)nc3c2CCc2ccccc2-3)CC1 | 10.1016/j.bmcl.2015.12.035 | |||
| CHEMBL494093 | 187481 | 0 | None | -5888 | 5 | Human | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 295 | 1 | 1 | 5 | 1.6 | CN1CCN(c2nc(N)nc3c2CCc2ccccc2-3)CC1 | 10.1016/j.bmcl.2015.12.035 | |||
| 44455426 | 155149 | 0 | None | -44 | 12 | Human | 5.5 | pKi | = | 5.5 | 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 | -44 | 12 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 405 | 9 | 1 | 4 | 4.2 | COc1c(OCCF)cccc1C(O)C1CCN(CCc2ccc(F)cc2)CC1 | 10.1016/j.bmc.2009.03.021 | |||
| 71456046 | 84075 | 0 | None | -2089 | 7 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 389 | 6 | 0 | 4 | 4.2 | COc1ccccc1N1CCN(Cc2cc(CN(C)C)c3cccccc2-3)CC1 | 10.1016/j.bmcl.2012.09.064 | |||
| CHEMBL2207637 | 84075 | 0 | None | -2089 | 7 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 389 | 6 | 0 | 4 | 4.2 | COc1ccccc1N1CCN(Cc2cc(CN(C)C)c3cccccc2-3)CC1 | 10.1016/j.bmcl.2012.09.064 | |||
| 44307779 | 203559 | 0 | None | -275 | 4 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 332 | 2 | 0 | 2 | 4.7 | C(#Cc1c2c(nc3ccccc13)CCCCC2)CCN1CCCCC1 | 10.1016/s0960-894x(03)00356-1 | |||
| CHEMBL66660 | 203559 | 0 | None | -275 | 4 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 332 | 2 | 0 | 2 | 4.7 | C(#Cc1c2c(nc3ccccc13)CCCCC2)CCN1CCCCC1 | 10.1016/s0960-894x(03)00356-1 | |||
| 156015643 | 178295 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 1001 | 28 | 3 | 11 | 9.2 | CC1(C)C(/C=C/C=C/C=C2\N(CCCCCC(=O)NCCCCNc3c(NCCCOc4cccc(CN5CCCCC5)c4)c(=O)c3=O)c3ccccc3C2(C)C)=[N+](CCCCS(=O)(=O)[O-])c2ccccc21 | 10.1021/acsmedchemlett.0c00033 | |||
| CHEMBL4645213 | 178295 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 1001 | 28 | 3 | 11 | 9.2 | CC1(C)C(/C=C/C=C/C=C2\N(CCCCCC(=O)NCCCCNc3c(NCCCOc4cccc(CN5CCCCC5)c4)c(=O)c3=O)c3ccccc3C2(C)C)=[N+](CCCCS(=O)(=O)[O-])c2ccccc21 | 10.1021/acsmedchemlett.0c00033 | |||
| CHEMBL4650968 | 178295 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 1001 | 28 | 3 | 11 | 9.2 | CC1(C)C(/C=C/C=C/C=C2\N(CCCCCC(=O)NCCCCNc3c(NCCCOc4cccc(CN5CCCCC5)c4)c(=O)c3=O)c3ccccc3C2(C)C)=[N+](CCCCS(=O)(=O)[O-])c2ccccc21 | 10.1021/acsmedchemlett.0c00033 | |||
| CHEMBL5092102 | 215346 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | None | None | None | NCCCCCCCCNC(=O)/N=C(\N)NCCCc1c[nH]cn1 | 10.1016/j.bmcl.2021.128388 | |||||
| 168274129 | 192809 | 0 | None | -6 | 4 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 370 | 12 | 5 | 6 | 1.0 | NCCCCCCCCNC(=O)/N=C(\N)NCCCc1nnc(N)s1 | 10.1021/acs.jmedchem.1c00692 | |||
| CHEMBL5176780 | 192809 | 0 | None | -6 | 4 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 370 | 12 | 5 | 6 | 1.0 | NCCCCCCCCNC(=O)/N=C(\N)NCCCc1nnc(N)s1 | 10.1021/acs.jmedchem.1c00692 | |||
| CHEMBL5221468 | 192809 | 0 | None | -6 | 4 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 370 | 12 | 5 | 6 | 1.0 | NCCCCCCCCNC(=O)/N=C(\N)NCCCc1nnc(N)s1 | 10.1021/acs.jmedchem.1c00692 | |||
| 44334212 | 4629 | 0 | None | -72 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 456 | 11 | 1 | 5 | 3.7 | CCc1ccc(S(=O)(=O)N[C@H]2CCN(CCCOc3ccc(C(=O)C4CC4)cc3)C2)cc1 | 10.1016/s0960-894x(02)00685-6 | |||
| CHEMBL102925 | 4629 | 0 | None | -72 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 456 | 11 | 1 | 5 | 3.7 | CCc1ccc(S(=O)(=O)N[C@H]2CCN(CCCOc3ccc(C(=O)C4CC4)cc3)C2)cc1 | 10.1016/s0960-894x(02)00685-6 | |||
| 168273549 | 192803 | 0 | None | 1 | 4 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 436 | 6 | 4 | 4 | 4.3 | Cc1ccc(CC(C)CNC(=O)/N=C(\N)Nc2ccc(-c3sc(N)nc3C)cc2)cc1 | 10.1021/acs.jmedchem.1c00692 | |||
| CHEMBL5174342 | 192803 | 0 | None | 1 | 4 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 436 | 6 | 4 | 4 | 4.3 | Cc1ccc(CC(C)CNC(=O)/N=C(\N)Nc2ccc(-c3sc(N)nc3C)cc2)cc1 | 10.1021/acs.jmedchem.1c00692 | |||
| CHEMBL5221438 | 192803 | 0 | None | 1 | 4 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 436 | 6 | 4 | 4 | 4.3 | Cc1ccc(CC(C)CNC(=O)/N=C(\N)Nc2ccc(-c3sc(N)nc3C)cc2)cc1 | 10.1021/acs.jmedchem.1c00692 | |||
| 44335430 | 5297 | 0 | None | -144 | 3 | Human | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 374 | 7 | 0 | 5 | 4.0 | CCOC(=O)N1CCN(CCCOc2ccc(-c3cccs3)cc2)CC1 | 10.1016/s0960-894x(02)00648-0 | |||
| CHEMBL106602 | 5297 | 0 | None | -144 | 3 | Human | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 374 | 7 | 0 | 5 | 4.0 | CCOC(=O)N1CCN(CCCOc2ccc(-c3cccs3)cc2)CC1 | 10.1016/s0960-894x(02)00648-0 | |||
| 44304064 | 102810 | 0 | None | -1096 | 3 | Human | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 451 | 10 | 2 | 6 | 2.5 | N[C@H](Cc1ccc(O)cc1)C(=O)N1CCN(CCCOc2ccc(C(=O)C3CC3)cc2)CC1 | 10.1016/s0960-894x(02)00310-4 | |||
| CHEMBL305371 | 102810 | 0 | None | -1096 | 3 | Human | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 451 | 10 | 2 | 6 | 2.5 | N[C@H](Cc1ccc(O)cc1)C(=O)N1CCN(CCCOc2ccc(C(=O)C3CC3)cc2)CC1 | 10.1016/s0960-894x(02)00310-4 | |||
| 164611807 | 184984 | 0 | None | 162 | 4 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 376 | 6 | 4 | 4 | 2.5 | Cc1nc(N)sc1CCCN/C(N)=N/C(=S)N[C@@H](C)c1ccccc1 | 10.1016/j.ejmech.2021.113190 | |||
| CHEMBL4854278 | 184984 | 0 | None | 162 | 4 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 376 | 6 | 4 | 4 | 2.5 | Cc1nc(N)sc1CCCN/C(N)=N/C(=S)N[C@@H](C)c1ccccc1 | 10.1016/j.ejmech.2021.113190 | |||
| 122442272 | 138348 | 0 | None | -120 | 15 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 239 | 5 | 1 | 2 | 2.6 | C=CCOc1cc(F)c(F)cc1C1CC1CN | 10.1021/acs.jmedchem.5b01153 | |||
| CHEMBL3769968 | 138348 | 0 | None | -120 | 15 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 239 | 5 | 1 | 2 | 2.6 | C=CCOc1cc(F)c(F)cc1C1CC1CN | 10.1021/acs.jmedchem.5b01153 | |||
| CHEMBL3771384 | 138348 | 0 | None | -120 | 15 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 239 | 5 | 1 | 2 | 2.6 | C=CCOc1cc(F)c(F)cc1C1CC1CN | 10.1021/acs.jmedchem.5b01153 | |||
| 122442272 | 138348 | 0 | None | -120 | 15 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 239 | 5 | 1 | 2 | 2.6 | C=CCOc1cc(F)c(F)cc1C1CC1CN | 10.1021/acs.jmedchem.5b01153 | |||
| CHEMBL3769968 | 138348 | 0 | None | -120 | 15 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 239 | 5 | 1 | 2 | 2.6 | C=CCOc1cc(F)c(F)cc1C1CC1CN | 10.1021/acs.jmedchem.5b01153 | |||
| CHEMBL3771384 | 138348 | 0 | None | -120 | 15 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 239 | 5 | 1 | 2 | 2.6 | C=CCOc1cc(F)c(F)cc1C1CC1CN | 10.1021/acs.jmedchem.5b01153 | |||
| 44335336 | 4558 | 0 | None | -263 | 4 | Human | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 335 | 6 | 1 | 4 | 3.4 | N#Cc1ccc(-c2ccc(OCCCN3CCC(N)CC3)cc2)cc1 | 10.1016/s0960-894x(02)00648-0 | |||
| CHEMBL102452 | 4558 | 0 | None | -263 | 4 | Human | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 335 | 6 | 1 | 4 | 3.4 | N#Cc1ccc(-c2ccc(OCCCN3CCC(N)CC3)cc2)cc1 | 10.1016/s0960-894x(02)00648-0 | |||
| 168268680 | 192766 | 0 | None | 1 | 4 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 662 | 11 | 8 | 8 | 4.8 | Cc1nc(N)sc1-c1ccc(N/C(N)=N/C(=O)NCCCCCCNC(=O)/N=C(\N)Nc2ccc(-c3sc(N)nc3C)cc2)cc1 | 10.1021/acs.jmedchem.1c00692 | |||
| CHEMBL5172675 | 192766 | 0 | None | 1 | 4 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 662 | 11 | 8 | 8 | 4.8 | Cc1nc(N)sc1-c1ccc(N/C(N)=N/C(=O)NCCCCCCNC(=O)/N=C(\N)Nc2ccc(-c3sc(N)nc3C)cc2)cc1 | 10.1021/acs.jmedchem.1c00692 | |||
| CHEMBL5221210 | 192766 | 0 | None | 1 | 4 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 662 | 11 | 8 | 8 | 4.8 | Cc1nc(N)sc1-c1ccc(N/C(N)=N/C(=O)NCCCCCCNC(=O)/N=C(\N)Nc2ccc(-c3sc(N)nc3C)cc2)cc1 | 10.1021/acs.jmedchem.1c00692 | |||
| 44304445 | 202988 | 0 | None | -30 | 3 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 531 | 14 | 1 | 6 | 5.3 | CCCCCC(=O)c1ccc(OCCCN2CCN(C(=O)[C@H](CC(C)C)NC(=O)OC(C)(C)C)CC2)cc1 | 10.1016/s0960-894x(02)00310-4 | |||
| CHEMBL63112 | 202988 | 0 | None | -30 | 3 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 531 | 14 | 1 | 6 | 5.3 | CCCCCC(=O)c1ccc(OCCCN2CCN(C(=O)[C@H](CC(C)C)NC(=O)OC(C)(C)C)CC2)cc1 | 10.1016/s0960-894x(02)00310-4 | |||
| 44304462 | 202882 | 0 | None | -4897 | 3 | Human | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 405 | 12 | 2 | 6 | 1.7 | CCCCCC(=O)c1ccc(OCCCN2CCN(C(=O)[C@H](N)CO)CC2)cc1 | 10.1016/s0960-894x(02)00310-4 | |||
| CHEMBL62660 | 202882 | 0 | None | -4897 | 3 | Human | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 405 | 12 | 2 | 6 | 1.7 | CCCCCC(=O)c1ccc(OCCCN2CCN(C(=O)[C@H](N)CO)CC2)cc1 | 10.1016/s0960-894x(02)00310-4 | |||
| 44304741 | 202917 | 0 | None | -3388 | 3 | Human | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 466 | 13 | 1 | 6 | 3.3 | CCCCCC(=O)c1ccc(OCCCN2CCN(C(=O)[C@@H](N)Cc3ccncc3)CC2)cc1 | 10.1016/s0960-894x(02)00310-4 | |||
| CHEMBL62808 | 202917 | 0 | None | -3388 | 3 | Human | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 466 | 13 | 1 | 6 | 3.3 | CCCCCC(=O)c1ccc(OCCCN2CCN(C(=O)[C@@H](N)Cc3ccncc3)CC2)cc1 | 10.1016/s0960-894x(02)00310-4 | |||
| 73355417 | 92539 | 0 | None | 1 | 3 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 251 | 3 | 1 | 1 | 2.9 | c1ccc(CN[C@H]2C3C4CC5C6C4CC3C6C52)cc1 | 10.1016/j.bmc.2013.07.045 | |||
| CHEMBL2432045 | 92539 | 0 | None | 1 | 3 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 251 | 3 | 1 | 1 | 2.9 | c1ccc(CN[C@H]2C3C4CC5C6C4CC3C6C52)cc1 | 10.1016/j.bmc.2013.07.045 | |||
| 237 | 204865 | 48 | None | -3 | 13 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 399 | 9 | 1 | 4 | 6.0 | CCN(CC)CCCC(C)Nc1c2ccc(Cl)cc2nc2ccc(OC)cc12 | nan | |||
| CHEMBL546257 | 204865 | 48 | None | -3 | 13 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 399 | 9 | 1 | 4 | 6.0 | CCN(CC)CCCC(C)Nc1c2ccc(Cl)cc2nc2ccc(OC)cc12 | nan | |||
| CHEMBL554190 | 204865 | 48 | None | -3 | 13 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 399 | 9 | 1 | 4 | 6.0 | CCN(CC)CCCC(C)Nc1c2ccc(Cl)cc2nc2ccc(OC)cc12 | nan | |||
| CHEMBL7568 | 204865 | 48 | None | -3 | 13 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 399 | 9 | 1 | 4 | 6.0 | CCN(CC)CCCC(C)Nc1c2ccc(Cl)cc2nc2ccc(OC)cc12 | nan | |||
| 164614841 | 185274 | 0 | None | 223 | 4 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 388 | 7 | 4 | 4 | 3.0 | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NC(c1ccccc1)C(C)C | 10.1016/j.ejmech.2021.113190 | |||
| CHEMBL4858849 | 185274 | 0 | None | 223 | 4 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 388 | 7 | 4 | 4 | 3.0 | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NC(c1ccccc1)C(C)C | 10.1016/j.ejmech.2021.113190 | |||
| 44333988 | 4535 | 0 | None | -93 | 3 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 367 | 8 | 1 | 5 | 2.6 | CC(=O)c1ccc(OCCCN2CC[C@H](NC(=O)c3cccnc3)C2)cc1 | 10.1016/s0960-894x(02)00685-6 | |||
| CHEMBL102331 | 4535 | 0 | None | -93 | 3 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 367 | 8 | 1 | 5 | 2.6 | CC(=O)c1ccc(OCCCN2CC[C@H](NC(=O)c3cccnc3)C2)cc1 | 10.1016/s0960-894x(02)00685-6 | |||
| 156013896 | 178240 | 0 | None | -1548 | 4 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 401 | 9 | 1 | 2 | 5.1 | Cc1cc(/C=C/C=C/c2ccc(N(C)C)cc2)cc(C)[n+]1CCCCc1c[nH]cn1 | 10.1021/acs.jmedchem.0c00160 | |||
| CHEMBL4635634 | 178240 | 0 | None | -1548 | 4 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 401 | 9 | 1 | 2 | 5.1 | Cc1cc(/C=C/C=C/c2ccc(N(C)C)cc2)cc(C)[n+]1CCCCc1c[nH]cn1 | 10.1021/acs.jmedchem.0c00160 | |||
| CHEMBL4650570 | 178240 | 0 | None | -1548 | 4 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 401 | 9 | 1 | 2 | 5.1 | Cc1cc(/C=C/C=C/c2ccc(N(C)C)cc2)cc(C)[n+]1CCCCc1c[nH]cn1 | 10.1021/acs.jmedchem.0c00160 | |||
| 135398737 | 958 | 93 | None | -64 | 89 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | nan | |||
| 38 | 958 | 93 | None | -64 | 89 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | nan | |||
| 722 | 958 | 93 | None | -64 | 89 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | nan | |||
| CHEMBL42 | 958 | 93 | None | -64 | 89 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | nan | |||
| DB00363 | 958 | 93 | None | -64 | 89 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | nan | |||
| 71455894 | 83802 | 0 | None | -3 | 12 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 325 | 4 | 1 | 4 | 2.0 | COc1ccc(CN2C3C4C5CC6C7C5C3C7C2(O)C64)cc1OC | 10.1016/j.bmcl.2012.08.046 | |||
| CHEMBL2205827 | 83802 | 0 | None | -3 | 12 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 325 | 4 | 1 | 4 | 2.0 | COc1ccc(CN2C3C4C5CC6C7C5C3C7C2(O)C64)cc1OC | 10.1016/j.bmcl.2012.08.046 | |||
| 71455894 | 83802 | 0 | None | -3 | 12 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 325 | 4 | 1 | 4 | 2.0 | COc1ccc(CN2C3C4C5CC6C7C5C3C7C2(O)C64)cc1OC | 10.1016/j.bmc.2013.07.045 | |||
| CHEMBL2205827 | 83802 | 0 | None | -3 | 12 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 325 | 4 | 1 | 4 | 2.0 | COc1ccc(CN2C3C4C5CC6C7C5C3C7C2(O)C64)cc1OC | 10.1016/j.bmc.2013.07.045 | |||
| 44335407 | 171844 | 0 | None | -15 | 3 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 452 | 8 | 0 | 5 | 4.8 | CCOC(=O)N1CCN(CCCOc2ccc(-c3ccc(OC(F)(F)F)cc3)cc2)CC1 | 10.1016/s0960-894x(02)00648-0 | |||
| CHEMBL446885 | 171844 | 0 | None | -15 | 3 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 452 | 8 | 0 | 5 | 4.8 | CCOC(=O)N1CCN(CCCOc2ccc(-c3ccc(OC(F)(F)F)cc3)cc2)CC1 | 10.1016/s0960-894x(02)00648-0 | |||
| 26987 | 949 | 33 | None | -177 | 21 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 343 | 6 | 0 | 2 | 5.1 | Clc1ccc(cc1)[C@@](c1ccccc1)(OCC[C@H]1CCCN1C)C | nan | |||
| 6063 | 949 | 33 | None | -177 | 21 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 343 | 6 | 0 | 2 | 5.1 | Clc1ccc(cc1)[C@@](c1ccccc1)(OCC[C@H]1CCCN1C)C | nan | |||
| 671 | 949 | 33 | None | -177 | 21 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 343 | 6 | 0 | 2 | 5.1 | Clc1ccc(cc1)[C@@](c1ccccc1)(OCC[C@H]1CCCN1C)C | nan | |||
| CHEMBL1626 | 949 | 33 | None | -177 | 21 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 343 | 6 | 0 | 2 | 5.1 | Clc1ccc(cc1)[C@@](c1ccccc1)(OCC[C@H]1CCCN1C)C | nan | |||
| DB00283 | 949 | 33 | None | -177 | 21 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 343 | 6 | 0 | 2 | 5.1 | Clc1ccc(cc1)[C@@](c1ccccc1)(OCC[C@H]1CCCN1C)C | nan | |||
| 155513890 | 169821 | 0 | None | -177 | 3 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 369 | 2 | 2 | 5 | 4.1 | Clc1ccc(C#Cc2nc(N[C@H]3C[C@H]4CC[C@@H]3C4)c3nc[nH]c3n2)s1 | 10.1039/C8MD00317C | |||
| CHEMBL4439593 | 169821 | 0 | None | -177 | 3 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 369 | 2 | 2 | 5 | 4.1 | Clc1ccc(C#Cc2nc(N[C@H]3C[C@H]4CC[C@@H]3C4)c3nc[nH]c3n2)s1 | 10.1039/C8MD00317C | |||
| 126720252 | 164675 | 0 | None | -12 | 12 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 697 | 15 | 2 | 6 | 9.2 | NCCCCCCn1cc(CCCCN2CCC(c3ccc(-c4cc(C(=O)O)cc5cc(-c6ccc(C(F)(F)F)cc6)ccc45)cc3)CC2)nn1 | 10.1021/acs.jmedchem.8b00168 | |||
| CHEMBL4216870 | 164675 | 0 | None | -12 | 12 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 697 | 15 | 2 | 6 | 9.2 | NCCCCCCn1cc(CCCCN2CCC(c3ccc(-c4cc(C(=O)O)cc5cc(-c6ccc(C(F)(F)F)cc6)ccc45)cc3)CC2)nn1 | 10.1021/acs.jmedchem.8b00168 | |||
| 164618283 | 184544 | 0 | None | 158 | 4 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 390 | 7 | 4 | 5 | 2.4 | COc1ccc(C(C)NC(=O)/N=C(\N)NCCCc2sc(N)nc2C)cc1 | 10.1016/j.ejmech.2021.113190 | |||
| CHEMBL4848026 | 184544 | 0 | None | 158 | 4 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 390 | 7 | 4 | 5 | 2.4 | COc1ccc(C(C)NC(=O)/N=C(\N)NCCCc2sc(N)nc2C)cc1 | 10.1016/j.ejmech.2021.113190 | |||
| 44304282 | 203113 | 0 | None | -12 | 3 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 410 | 8 | 0 | 5 | 3.8 | CCOC(=O)N1CCN(CCCOc2ccc(C(=O)c3cccc(C)c3)cc2)CC1 | 10.1016/s0960-894x(02)00309-8 | |||
| CHEMBL64021 | 203113 | 0 | None | -12 | 3 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 410 | 8 | 0 | 5 | 3.8 | CCOC(=O)N1CCN(CCCOc2ccc(C(=O)c3cccc(C)c3)cc2)CC1 | 10.1016/s0960-894x(02)00309-8 | |||
| 44304383 | 203303 | 0 | None | -371 | 3 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 418 | 12 | 0 | 5 | 4.6 | CCCCCC(=O)c1ccc(OCCCN2CCN(C(=O)OCC(C)C)CC2)cc1 | 10.1016/s0960-894x(02)00309-8 | |||
| CHEMBL64775 | 203303 | 0 | None | -371 | 3 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 418 | 12 | 0 | 5 | 4.6 | CCCCCC(=O)c1ccc(OCCCN2CCN(C(=O)OCC(C)C)CC2)cc1 | 10.1016/s0960-894x(02)00309-8 | |||
| 44304753 | 203195 | 0 | None | -4073 | 3 | Human | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 466 | 13 | 1 | 6 | 3.3 | CCCCCC(=O)c1ccc(OCCCN2CCN(C(=O)[C@H](N)Cc3ccncc3)CC2)cc1 | 10.1016/s0960-894x(02)00310-4 | |||
| CHEMBL64321 | 203195 | 0 | None | -4073 | 3 | Human | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 466 | 13 | 1 | 6 | 3.3 | CCCCCC(=O)c1ccc(OCCCN2CCN(C(=O)[C@H](N)Cc3ccncc3)CC2)cc1 | 10.1016/s0960-894x(02)00310-4 | |||
| 9818650 | 203525 | 0 | None | -1513 | 4 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 323 | 5 | 1 | 3 | 4.4 | c1ccc2c(NCCCN3CCCC3)c3c(nc2c1)CCCCC3 | 10.1016/s0960-894x(03)00356-1 | |||
| CHEMBL66388 | 203525 | 0 | None | -1513 | 4 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 323 | 5 | 1 | 3 | 4.4 | c1ccc2c(NCCCN3CCCC3)c3c(nc2c1)CCCCC3 | 10.1016/s0960-894x(03)00356-1 | |||
| CHEMBL4777443 | 214046 | 0 | None | -181 | 14 | Human | 5.4 | pKi | = | 5.4 | 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 | |||||
| 44334782 | 5425 | 0 | None | -91 | 3 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 442 | 10 | 1 | 5 | 3.4 | Cc1ccc(S(=O)(=O)N[C@H]2CCN(CCCOc3ccc(C(=O)C4CC4)cc3)C2)cc1 | 10.1016/s0960-894x(02)00685-6 | |||
| CHEMBL107293 | 5425 | 0 | None | -91 | 3 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 442 | 10 | 1 | 5 | 3.4 | Cc1ccc(S(=O)(=O)N[C@H]2CCN(CCCOc3ccc(C(=O)C4CC4)cc3)C2)cc1 | 10.1016/s0960-894x(02)00685-6 | |||
| 168276867 | 192835 | 0 | None | -1 | 4 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 662 | 11 | 8 | 8 | 4.8 | Cc1nc(N)sc1-c1cccc(N/C(N)=N/C(=O)NCCCCCCNC(=O)/N=C(\N)Nc2cccc(-c3sc(N)nc3C)c2)c1 | 10.1021/acs.jmedchem.1c00692 | |||
| CHEMBL5174278 | 192835 | 0 | None | -1 | 4 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 662 | 11 | 8 | 8 | 4.8 | Cc1nc(N)sc1-c1cccc(N/C(N)=N/C(=O)NCCCCCCNC(=O)/N=C(\N)Nc2cccc(-c3sc(N)nc3C)c2)c1 | 10.1021/acs.jmedchem.1c00692 | |||
| CHEMBL5221653 | 192835 | 0 | None | -1 | 4 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 662 | 11 | 8 | 8 | 4.8 | Cc1nc(N)sc1-c1cccc(N/C(N)=N/C(=O)NCCCCCCNC(=O)/N=C(\N)Nc2cccc(-c3sc(N)nc3C)c2)c1 | 10.1021/acs.jmedchem.1c00692 | |||
| 44335571 | 5272 | 0 | None | -1513 | 4 | Human | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 322 | 6 | 0 | 4 | 3.3 | N#Cc1ccc(-c2ccc(OCCCN3CCOCC3)cc2)cc1 | 10.1016/s0960-894x(02)00648-0 | |||
| CHEMBL106483 | 5272 | 0 | None | -1513 | 4 | Human | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 322 | 6 | 0 | 4 | 3.3 | N#Cc1ccc(-c2ccc(OCCCN3CCOCC3)cc2)cc1 | 10.1016/s0960-894x(02)00648-0 | |||
| 44304450 | 202867 | 0 | None | -478 | 3 | Human | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 417 | 12 | 1 | 5 | 3.3 | CCCCCC(=O)c1ccc(OCCCN2CCN(C(=O)[C@@H](N)C(C)C)CC2)cc1 | 10.1016/s0960-894x(02)00310-4 | |||
| CHEMBL62592 | 202867 | 0 | None | -478 | 3 | Human | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 417 | 12 | 1 | 5 | 3.3 | CCCCCC(=O)c1ccc(OCCCN2CCN(C(=O)[C@@H](N)C(C)C)CC2)cc1 | 10.1016/s0960-894x(02)00310-4 | |||
| 168283097 | 192893 | 0 | None | -22 | 4 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 311 | 9 | 4 | 5 | 0.8 | CCCCCCNC(=O)/N=C(\N)NCCCc1nnc(N)o1 | 10.1021/acs.jmedchem.1c00692 | |||
| CHEMBL5186770 | 192893 | 0 | None | -22 | 4 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 311 | 9 | 4 | 5 | 0.8 | CCCCCCNC(=O)/N=C(\N)NCCCc1nnc(N)o1 | 10.1021/acs.jmedchem.1c00692 | |||
| CHEMBL5222043 | 192893 | 0 | None | -22 | 4 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 311 | 9 | 4 | 5 | 0.8 | CCCCCCNC(=O)/N=C(\N)NCCCc1nnc(N)o1 | 10.1021/acs.jmedchem.1c00692 | |||
| 168284480 | 192910 | 0 | None | -22 | 4 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 330 | 6 | 4 | 4 | 1.3 | Cc1nc(N)oc1CCCN/C(N)=N/C(=O)NCc1ccccc1 | 10.1021/acs.jmedchem.1c00692 | |||
| CHEMBL5197548 | 192910 | 0 | None | -22 | 4 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 330 | 6 | 4 | 4 | 1.3 | Cc1nc(N)oc1CCCN/C(N)=N/C(=O)NCc1ccccc1 | 10.1021/acs.jmedchem.1c00692 | |||
| CHEMBL5222137 | 192910 | 0 | None | -22 | 4 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 330 | 6 | 4 | 4 | 1.3 | Cc1nc(N)oc1CCCN/C(N)=N/C(=O)NCc1ccccc1 | 10.1021/acs.jmedchem.1c00692 | |||
| 73346334 | 92541 | 0 | None | -4 | 7 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 265 | 4 | 1 | 1 | 3.0 | c1ccc(CCN[C@H]2C3C4CC5C6C4CC3C6C52)cc1 | 10.1016/j.bmc.2013.07.045 | |||
| CHEMBL2432048 | 92541 | 0 | None | -4 | 7 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 265 | 4 | 1 | 1 | 3.0 | c1ccc(CCN[C@H]2C3C4CC5C6C4CC3C6C52)cc1 | 10.1016/j.bmc.2013.07.045 | |||
| 164608815 | 184454 | 0 | None | 1 | 6 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 380 | 7 | 4 | 4 | 2.8 | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NCC(C)C1CCCCC1 | 10.1016/j.ejmech.2021.113190 | |||
| CHEMBL4846638 | 184454 | 0 | None | 1 | 6 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 380 | 7 | 4 | 4 | 2.8 | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NCC(C)C1CCCCC1 | 10.1016/j.ejmech.2021.113190 | |||
| 4011 | 82408 | 49 | None | -27 | 24 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 277 | 4 | 1 | 1 | 4.2 | CNCCCC12CCC(c3ccccc31)c1ccccc12 | nan | |||
| CHEMBL21731 | 82408 | 49 | None | -27 | 24 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 277 | 4 | 1 | 1 | 4.2 | CNCCCC12CCC(c3ccccc31)c1ccccc12 | nan | |||
| 44335237 | 5121 | 0 | None | -144 | 3 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 407 | 7 | 0 | 5 | 4.1 | CCOC(=O)N1CCN(CCCOc2ccc(-c3ccc(C#N)cc3C)cc2)CC1 | 10.1016/s0960-894x(02)00648-0 | |||
| CHEMBL105669 | 5121 | 0 | None | -144 | 3 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 407 | 7 | 0 | 5 | 4.1 | CCOC(=O)N1CCN(CCCOc2ccc(-c3ccc(C#N)cc3C)cc2)CC1 | 10.1016/s0960-894x(02)00648-0 | |||
| 3032915 | 15495 | 24 | None | -25 | 6 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 212 | 5 | 3 | 2 | 1.2 | C/N=C(\S)NCCCCc1c[nH]cn1 | 10.1021/jm00012a025 | |||
| CHEMBL12160 | 15495 | 24 | None | -25 | 6 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 212 | 5 | 3 | 2 | 1.2 | C/N=C(\S)NCCCCc1c[nH]cn1 | 10.1021/jm00012a025 | |||
| 10085839 | 204502 | 0 | None | -125 | 3 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 294 | 7 | 3 | 2 | 2.9 | S=C(NCCCCCc1c[nH]cn1)NC1CCCCC1 | 10.1021/jm00012a025 | |||
| CHEMBL72571 | 204502 | 0 | None | -125 | 3 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 294 | 7 | 3 | 2 | 2.9 | S=C(NCCCCCc1c[nH]cn1)NC1CCCCC1 | 10.1021/jm00012a025 | |||
| 3032915 | 15495 | 24 | None | -25 | 6 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 212 | 5 | 3 | 2 | 1.2 | C/N=C(\S)NCCCCc1c[nH]cn1 | 10.1016/j.bmcl.2010.10.041 | |||
| CHEMBL12160 | 15495 | 24 | None | -25 | 6 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 212 | 5 | 3 | 2 | 1.2 | C/N=C(\S)NCCCCc1c[nH]cn1 | 10.1016/j.bmcl.2010.10.041 | |||
| 164619427 | 186069 | 0 | None | 7 | 2 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 380 | 5 | 4 | 4 | 3.1 | N/C(=N\C(=O)NCCc1ccccc1)Nc1cccc(-c2csc(N)n2)c1 | 10.1016/j.ejmech.2021.113190 | |||
| CHEMBL4871221 | 186069 | 0 | None | 7 | 2 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 380 | 5 | 4 | 4 | 3.1 | N/C(=N\C(=O)NCCc1ccccc1)Nc1cccc(-c2csc(N)n2)c1 | 10.1016/j.ejmech.2021.113190 | |||
| 1204 | 1932 | 119 | None | -173 | 24 | Human | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/jm00002a008 | |||
| 1247 | 1932 | 119 | None | -173 | 24 | Human | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/jm00002a008 | |||
| 1375 | 1932 | 119 | None | -173 | 24 | Human | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/jm00002a008 | |||
| 774 | 1932 | 119 | None | -173 | 24 | Human | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/jm00002a008 | |||
| CHEMBL90 | 1932 | 119 | None | -173 | 24 | Human | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/jm00002a008 | |||
| DB05381 | 1932 | 119 | None | -173 | 24 | Human | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/jm00002a008 | |||
| 44304387 | 202928 | 0 | None | -7943 | 3 | Human | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 334 | 7 | 0 | 5 | 2.4 | CCOC(=O)N1CCN(CCCOc2ccc(C(C)=O)cc2)CC1 | 10.1016/s0960-894x(02)00309-8 | |||
| CHEMBL62840 | 202928 | 0 | None | -7943 | 3 | Human | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 334 | 7 | 0 | 5 | 2.4 | CCOC(=O)N1CCN(CCCOc2ccc(C(C)=O)cc2)CC1 | 10.1016/s0960-894x(02)00309-8 | |||
| 44304312 | 162787 | 0 | None | -1348 | 3 | Human | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 453 | 10 | 1 | 5 | 2.9 | N[C@H](Cc1ccc(F)cc1)C(=O)N1CCN(CCCOc2ccc(C(=O)C3CC3)cc2)CC1 | 10.1016/s0960-894x(02)00310-4 | |||
| CHEMBL417215 | 162787 | 0 | None | -1348 | 3 | Human | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 453 | 10 | 1 | 5 | 2.9 | N[C@H](Cc1ccc(F)cc1)C(=O)N1CCN(CCCOc2ccc(C(=O)C3CC3)cc2)CC1 | 10.1016/s0960-894x(02)00310-4 | |||
| 164612037 | 185377 | 0 | None | -85 | 20 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 326 | 8 | 4 | 4 | 1.8 | CCCCCNC(=O)/N=C(\N)NCCCc1sc(N)nc1C | 10.1016/j.ejmech.2021.113190 | |||
| CHEMBL4860528 | 185377 | 0 | None | -85 | 20 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 326 | 8 | 4 | 4 | 1.8 | CCCCCNC(=O)/N=C(\N)NCCCc1sc(N)nc1C | 10.1016/j.ejmech.2021.113190 | |||
| 46884734 | 7972 | 0 | None | -6 | 2 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 341 | 6 | 0 | 4 | 3.7 | COc1nccnc1[C@H](C)C1=C(CCN(C)C)Cc2cc(F)ccc21 | 10.1016/j.bmcl.2010.07.117 | |||
| CHEMBL1090526 | 7972 | 0 | None | -6 | 2 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 341 | 6 | 0 | 4 | 3.7 | COc1nccnc1[C@H](C)C1=C(CCN(C)C)Cc2cc(F)ccc21 | 10.1016/j.bmcl.2010.07.117 | |||
| 168273471 | 192801 | 0 | None | 12 | 4 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 596 | 17 | 8 | 10 | 0.7 | N/C(=N\C(=O)NCCCCCCCCNC(=O)/N=C(\N)NCCCc1nnc(N)s1)NCCCc1nnc(N)s1 | 10.1021/acs.jmedchem.1c00692 | |||
| CHEMBL5173079 | 192801 | 0 | None | 12 | 4 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 596 | 17 | 8 | 10 | 0.7 | N/C(=N\C(=O)NCCCCCCCCNC(=O)/N=C(\N)NCCCc1nnc(N)s1)NCCCc1nnc(N)s1 | 10.1021/acs.jmedchem.1c00692 | |||
| CHEMBL5221433 | 192801 | 0 | None | 12 | 4 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 596 | 17 | 8 | 10 | 0.7 | N/C(=N\C(=O)NCCCCCCCCNC(=O)/N=C(\N)NCCCc1nnc(N)s1)NCCCc1nnc(N)s1 | 10.1021/acs.jmedchem.1c00692 | |||
| 71452382 | 83794 | 0 | None | -12 | 10 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 309 | 4 | 1 | 3 | 2.0 | COc1ccc(CCN2C3C4C5CC6C7C5C3C7C2(O)C64)cc1 | 10.1016/j.bmcl.2012.08.046 | |||
| CHEMBL2205812 | 83794 | 0 | None | -12 | 10 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 309 | 4 | 1 | 3 | 2.0 | COc1ccc(CCN2C3C4C5CC6C7C5C3C7C2(O)C64)cc1 | 10.1016/j.bmcl.2012.08.046 | |||
| 44334035 | 110045 | 0 | None | -79 | 3 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 476 | 10 | 1 | 7 | 4.1 | O=C(N[C@H]1CCN(CCCOc2ccc(C(=O)C3CC3)cc2)C1)c1csc(-c2cccnc2)n1 | 10.1016/s0960-894x(02)00685-6 | |||
| CHEMBL323517 | 110045 | 0 | None | -79 | 3 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 476 | 10 | 1 | 7 | 4.1 | O=C(N[C@H]1CCN(CCCOc2ccc(C(=O)C3CC3)cc2)C1)c1csc(-c2cccnc2)n1 | 10.1016/s0960-894x(02)00685-6 | |||
| 44334281 | 4759 | 0 | None | -128 | 3 | Human | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 433 | 9 | 2 | 6 | 2.8 | CC(=O)c1ccc(OCCCN2CC[C@H](NC(=O)[C@@H](C)NC(=O)OC(C)(C)C)C2)cc1 | 10.1016/s0960-894x(02)00685-6 | |||
| CHEMBL103828 | 4759 | 0 | None | -128 | 3 | Human | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 433 | 9 | 2 | 6 | 2.8 | CC(=O)c1ccc(OCCCN2CC[C@H](NC(=O)[C@@H](C)NC(=O)OC(C)(C)C)C2)cc1 | 10.1016/s0960-894x(02)00685-6 | |||
| 145980875 | 166707 | 0 | None | -3 | 11 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 443 | 7 | 1 | 2 | 6.2 | OC1(c2ccc(Cl)c(C(F)(F)F)c2)CCN(CCCCCc2ccc(F)cc2)CC1 | 10.1016/j.bmcl.2018.10.036 | |||
| CHEMBL4282702 | 166707 | 0 | None | -3 | 11 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 443 | 7 | 1 | 2 | 6.2 | OC1(c2ccc(Cl)c(C(F)(F)F)c2)CCN(CCCCCc2ccc(F)cc2)CC1 | 10.1016/j.bmcl.2018.10.036 | |||
| 1530 | 2182 | 50 | None | -151 | 21 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 309 | 0 | 0 | 3 | 4.0 | CN1CCC(=C2c3ccccc3CC(=O)c3c2ccs3)CC1 | nan | |||
| 3827 | 2182 | 50 | None | -151 | 21 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 309 | 0 | 0 | 3 | 4.0 | CN1CCC(=C2c3ccccc3CC(=O)c3c2ccs3)CC1 | nan | |||
| 7206 | 2182 | 50 | None | -151 | 21 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 309 | 0 | 0 | 3 | 4.0 | CN1CCC(=C2c3ccccc3CC(=O)c3c2ccs3)CC1 | nan | |||
| CHEMBL534 | 2182 | 50 | None | -151 | 21 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 309 | 0 | 0 | 3 | 4.0 | CN1CCC(=C2c3ccccc3CC(=O)c3c2ccs3)CC1 | nan | |||
| DB00920 | 2182 | 50 | None | -151 | 21 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 309 | 0 | 0 | 3 | 4.0 | CN1CCC(=C2c3ccccc3CC(=O)c3c2ccs3)CC1 | nan | |||
| CHEMBL5090859 | 215283 | 0 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | None | None | None | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NCCCCCCCCCC[n+]1c(C)cc(/C=C/C=C/c2ccc(N(C)C)cc2)cc1C | 10.1016/j.bmcl.2021.128388 | |||||
| 44478385 | 5776 | 6 | None | -70 | 4 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 342 | 9 | 3 | 4 | 2.5 | N#C/N=C(/NCCCCc1c[nH]cn1)NCCSc1ccccc1 | 10.1021/jm900526h | |||
| CHEMBL1078642 | 5776 | 6 | None | -70 | 4 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 342 | 9 | 3 | 4 | 2.5 | N#C/N=C(/NCCCCc1c[nH]cn1)NCCSc1ccccc1 | 10.1021/jm900526h | |||
| 44304012 | 202832 | 0 | None | -21379 | 3 | Human | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 389 | 11 | 1 | 5 | 2.7 | CCCCCC(=O)c1ccc(OCCCN2CCN(C(=O)[C@@H](C)N)CC2)cc1 | 10.1016/s0960-894x(02)00310-4 | |||
| CHEMBL62421 | 202832 | 0 | None | -21379 | 3 | Human | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 389 | 11 | 1 | 5 | 2.7 | CCCCCC(=O)c1ccc(OCCCN2CCN(C(=O)[C@@H](C)N)CC2)cc1 | 10.1016/s0960-894x(02)00310-4 | |||
| 1129 | 1621 | 96 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 337 | 7 | 4 | 6 | -0.8 | NC(=Nc1scc(n1)CSCC/C(=N/S(=O)(=O)N)/N)N | nan | |||
| 3325 | 1621 | 96 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 337 | 7 | 4 | 6 | -0.8 | NC(=Nc1scc(n1)CSCC/C(=N/S(=O)(=O)N)/N)N | nan | |||
| 5353622 | 1621 | 96 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 337 | 7 | 4 | 6 | -0.8 | NC(=Nc1scc(n1)CSCC/C(=N/S(=O)(=O)N)/N)N | nan | |||
| 5702160 | 1621 | 96 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 337 | 7 | 4 | 6 | -0.8 | NC(=Nc1scc(n1)CSCC/C(=N/S(=O)(=O)N)/N)N | nan | |||
| 7074 | 1621 | 96 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 337 | 7 | 4 | 6 | -0.8 | NC(=Nc1scc(n1)CSCC/C(=N/S(=O)(=O)N)/N)N | nan | |||
| CHEMBL902 | 1621 | 96 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 337 | 7 | 4 | 6 | -0.8 | NC(=Nc1scc(n1)CSCC/C(=N/S(=O)(=O)N)/N)N | nan | |||
| DB00927 | 1621 | 96 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 337 | 7 | 4 | 6 | -0.8 | NC(=Nc1scc(n1)CSCC/C(=N/S(=O)(=O)N)/N)N | nan | |||
| 12016525 | 202915 | 0 | None | -2041 | 3 | Human | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 359 | 8 | 1 | 5 | 1.5 | C[C@H](N)C(=O)N1CCN(CCCOc2ccc(C(=O)C3CC3)cc2)CC1 | 10.1016/s0960-894x(02)00310-4 | |||
| CHEMBL62804 | 202915 | 0 | None | -2041 | 3 | Human | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 359 | 8 | 1 | 5 | 1.5 | C[C@H](N)C(=O)N1CCN(CCCOc2ccc(C(=O)C3CC3)cc2)CC1 | 10.1016/s0960-894x(02)00310-4 | |||
| 71457844 | 84076 | 0 | None | -2187 | 7 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 429 | 6 | 0 | 4 | 5.1 | COc1ccccc1N1CCN(Cc2cc(CN3CCCCC3)c3cccccc2-3)CC1 | 10.1016/j.bmcl.2012.09.064 | |||
| CHEMBL2207638 | 84076 | 0 | None | -2187 | 7 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 429 | 6 | 0 | 4 | 5.1 | COc1ccccc1N1CCN(Cc2cc(CN3CCCCC3)c3cccccc2-3)CC1 | 10.1016/j.bmcl.2012.09.064 | |||
| 50878551 | 90745 | 61 | None | -109 | 18 | Human | 5.4 | pKi | = | 5.4 | 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 | -109 | 18 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 270 | 8 | 1 | 2 | 3.4 | C=CCN(CC=C)CCc1c[nH]c2ccc(OC)cc12 | 10.1016/j.bmcl.2013.03.066 | |||
| 164608941 | 184383 | 0 | None | 75 | 4 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 390 | 7 | 4 | 4 | 2.5 | Cc1nc(N)sc1CCCN/C(N)=N/C(=S)NC[C@@H](C)c1ccccc1 | 10.1016/j.ejmech.2021.113190 | |||
| CHEMBL4845733 | 184383 | 0 | None | 75 | 4 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 390 | 7 | 4 | 4 | 2.5 | Cc1nc(N)sc1CCCN/C(N)=N/C(=S)NC[C@@H](C)c1ccccc1 | 10.1016/j.ejmech.2021.113190 | |||
| 50878551 | 90745 | 61 | None | -109 | 18 | Human | 5.4 | pKi | = | 5.4 | 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 | -109 | 18 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 270 | 8 | 1 | 2 | 3.4 | C=CCN(CC=C)CCc1c[nH]c2ccc(OC)cc12 | 10.1016/j.bmcl.2013.03.066 | |||
| 44304309 | 169216 | 0 | None | -630 | 3 | Human | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 414 | 8 | 0 | 5 | 3.6 | CCOC(=O)N1CCN(CCCOc2ccc(C(=O)c3ccc(F)cc3)cc2)CC1 | 10.1016/s0960-894x(02)00309-8 | |||
| CHEMBL440864 | 169216 | 0 | None | -630 | 3 | Human | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 414 | 8 | 0 | 5 | 3.6 | CCOC(=O)N1CCN(CCCOc2ccc(C(=O)c3ccc(F)cc3)cc2)CC1 | 10.1016/s0960-894x(02)00309-8 | |||
| 164627020 | 186408 | 0 | None | 144 | 4 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 422 | 7 | 4 | 4 | 3.4 | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NC(c1ccccc1)c1ccccc1 | 10.1016/j.ejmech.2021.113190 | |||
| CHEMBL4876025 | 186408 | 0 | None | 144 | 4 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 422 | 7 | 4 | 4 | 3.4 | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NC(c1ccccc1)c1ccccc1 | 10.1016/j.ejmech.2021.113190 | |||
| 53324553 | 56855 | 0 | None | -6 | 10 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 283 | 4 | 1 | 1 | 3.1 | Fc1cccc(CCN[C@H]2C3C4CC5C6C4CC3C6C52)c1 | 10.1016/j.bmcl.2010.11.075 | |||
| CHEMBL1643900 | 56855 | 0 | None | -6 | 10 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 283 | 4 | 1 | 1 | 3.1 | Fc1cccc(CCN[C@H]2C3C4CC5C6C4CC3C6C52)c1 | 10.1016/j.bmcl.2010.11.075 | |||
| 53324553 | 56855 | 0 | None | -6 | 10 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 283 | 4 | 1 | 1 | 3.1 | Fc1cccc(CCN[C@H]2C3C4CC5C6C4CC3C6C52)c1 | 10.1016/j.bmc.2013.07.045 | |||
| CHEMBL1643900 | 56855 | 0 | None | -6 | 10 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 283 | 4 | 1 | 1 | 3.1 | Fc1cccc(CCN[C@H]2C3C4CC5C6C4CC3C6C52)c1 | 10.1016/j.bmc.2013.07.045 | |||
| 53325861 | 56856 | 0 | None | -2 | 3 | Human | 5.4 | pKi | = | 5.4 | 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 | 5.4 | pKi | = | 5.4 | 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 | 5.4 | pKi | = | 5.4 | 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 | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 297 | 4 | 0 | 1 | 3.4 | CN(CCc1cccc(F)c1)[C@H]1C2C3CC4C5C3CC2C5C41 | 10.1016/j.bmc.2013.07.045 | |||
| 44304449 | 200499 | 0 | None | -309 | 3 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 531 | 14 | 1 | 6 | 5.3 | CCCCCC(=O)c1ccc(OCCCN2CCN(C(=O)[C@@H](CC(C)C)NC(=O)OC(C)(C)C)CC2)cc1 | 10.1016/s0960-894x(02)00310-4 | |||
| CHEMBL59870 | 200499 | 0 | None | -309 | 3 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 531 | 14 | 1 | 6 | 5.3 | CCCCCC(=O)c1ccc(OCCCN2CCN(C(=O)[C@@H](CC(C)C)NC(=O)OC(C)(C)C)CC2)cc1 | 10.1016/s0960-894x(02)00310-4 | |||
| 164626509 | 186335 | 0 | None | 3 | 2 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 358 | 3 | 4 | 4 | 3.2 | N/C(=N\C(=O)NC1CCCCC1)Nc1cccc(-c2csc(N)n2)c1 | 10.1016/j.ejmech.2021.113190 | |||
| CHEMBL4874969 | 186335 | 0 | None | 3 | 2 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 358 | 3 | 4 | 4 | 3.2 | N/C(=N\C(=O)NC1CCCCC1)Nc1cccc(-c2csc(N)n2)c1 | 10.1016/j.ejmech.2021.113190 | |||
| 168280339 | 192865 | 0 | None | -52 | 4 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 372 | 8 | 3 | 5 | 1.1 | C[C@@H](NC(=O)/N=C(\N)NCCCn1cc(CN(C)C)nn1)c1ccccc1 | 10.1021/acs.jmedchem.1c00692 | |||
| CHEMBL5188592 | 192865 | 0 | None | -52 | 4 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 372 | 8 | 3 | 5 | 1.1 | C[C@@H](NC(=O)/N=C(\N)NCCCn1cc(CN(C)C)nn1)c1ccccc1 | 10.1021/acs.jmedchem.1c00692 | |||
| CHEMBL5221885 | 192865 | 0 | None | -52 | 4 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 372 | 8 | 3 | 5 | 1.1 | C[C@@H](NC(=O)/N=C(\N)NCCCn1cc(CN(C)C)nn1)c1ccccc1 | 10.1021/acs.jmedchem.1c00692 | |||
| 168294166 | 193014 | 0 | None | 1 | 4 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 360 | 6 | 4 | 4 | 3.3 | CCCCCNC(=O)/N=C(\N)Nc1ccc(-c2sc(N)nc2C)cc1 | 10.1021/acs.jmedchem.1c00692 | |||
| CHEMBL5209081 | 193014 | 0 | None | 1 | 4 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 360 | 6 | 4 | 4 | 3.3 | CCCCCNC(=O)/N=C(\N)Nc1ccc(-c2sc(N)nc2C)cc1 | 10.1021/acs.jmedchem.1c00692 | |||
| CHEMBL5222775 | 193014 | 0 | None | 1 | 4 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 360 | 6 | 4 | 4 | 3.3 | CCCCCNC(=O)/N=C(\N)Nc1ccc(-c2sc(N)nc2C)cc1 | 10.1021/acs.jmedchem.1c00692 | |||
| 44304014 | 100785 | 0 | None | -5370 | 3 | Human | 4.3 | pKi | = | 4.3 | Binding | ChEMBL | 431 | 10 | 1 | 6 | 2.3 | CC(C)(C)OC[C@@H](N)C(=O)N1CCN(CCCOc2ccc(C(=O)C3CC3)cc2)CC1 | 10.1016/s0960-894x(02)00310-4 | |||
| CHEMBL293033 | 100785 | 0 | None | -5370 | 3 | Human | 4.3 | pKi | = | 4.3 | Binding | ChEMBL | 431 | 10 | 1 | 6 | 2.3 | CC(C)(C)OC[C@@H](N)C(=O)N1CCN(CCCOc2ccc(C(=O)C3CC3)cc2)CC1 | 10.1016/s0960-894x(02)00310-4 | |||
| 164622153 | 185568 | 0 | None | 95 | 4 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 394 | 6 | 4 | 4 | 3.0 | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NC(C)c1ccc(Cl)cc1 | 10.1016/j.ejmech.2021.113190 | |||
| CHEMBL4863347 | 185568 | 0 | None | 95 | 4 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 394 | 6 | 4 | 4 | 3.0 | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NC(C)c1ccc(Cl)cc1 | 10.1016/j.ejmech.2021.113190 | |||
| 71459761 | 84080 | 0 | None | -75 | 7 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 540 | 7 | 0 | 5 | 6.1 | COc1ccccc1N1CCN(Cc2cc(CN3CCN(c4ccc(Cl)cc4)CC3)c3cccccc2-3)CC1 | 10.1016/j.bmcl.2012.09.064 | |||
| CHEMBL2207642 | 84080 | 0 | None | -75 | 7 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 540 | 7 | 0 | 5 | 6.1 | COc1ccccc1N1CCN(Cc2cc(CN3CCN(c4ccc(Cl)cc4)CC3)c3cccccc2-3)CC1 | 10.1016/j.bmcl.2012.09.064 | |||
| 44334556 | 107267 | 0 | None | -77 | 3 | Human | 4.3 | pKi | = | 4.3 | Binding | ChEMBL | 449 | 10 | 3 | 7 | 1.7 | CC(=O)c1ccc(OCCCN2CC[C@H](NC(=O)[C@H](CO)NC(=O)OC(C)(C)C)C2)cc1 | 10.1016/s0960-894x(02)00685-6 | |||
| CHEMBL316968 | 107267 | 0 | None | -77 | 3 | Human | 4.3 | pKi | = | 4.3 | Binding | ChEMBL | 449 | 10 | 3 | 7 | 1.7 | CC(=O)c1ccc(OCCCN2CC[C@H](NC(=O)[C@H](CO)NC(=O)OC(C)(C)C)C2)cc1 | 10.1016/s0960-894x(02)00685-6 | |||
| 44304377 | 202777 | 0 | None | -2570 | 3 | Human | 4.3 | pKi | = | 4.3 | Binding | ChEMBL | 424 | 11 | 0 | 6 | 3.5 | CCCCCC(=O)c1ccc(OCCCN2CCN(C(=O)c3cnccn3)CC2)cc1 | 10.1016/s0960-894x(02)00309-8 | |||
| CHEMBL62115 | 202777 | 0 | None | -2570 | 3 | Human | 4.3 | pKi | = | 4.3 | Binding | ChEMBL | 424 | 11 | 0 | 6 | 3.5 | CCCCCC(=O)c1ccc(OCCCN2CCN(C(=O)c3cnccn3)CC2)cc1 | 10.1016/s0960-894x(02)00309-8 | |||
| 44304313 | 201585 | 0 | None | -2041 | 3 | Human | 4.3 | pKi | = | 4.3 | Binding | ChEMBL | 441 | 10 | 1 | 6 | 2.8 | N[C@H](Cc1ccsc1)C(=O)N1CCN(CCCOc2ccc(C(=O)C3CC3)cc2)CC1 | 10.1016/s0960-894x(02)00310-4 | |||
| CHEMBL60559 | 201585 | 0 | None | -2041 | 3 | Human | 4.3 | pKi | = | 4.3 | Binding | ChEMBL | 441 | 10 | 1 | 6 | 2.8 | N[C@H](Cc1ccsc1)C(=O)N1CCN(CCCOc2ccc(C(=O)C3CC3)cc2)CC1 | 10.1016/s0960-894x(02)00310-4 | |||
| 44304277 | 100947 | 0 | None | -645 | 3 | Human | 4.3 | pKi | = | 4.3 | Binding | ChEMBL | 401 | 10 | 1 | 5 | 2.4 | CN[C@@H](C(=O)N1CCN(CCCOc2ccc(C(=O)C3CC3)cc2)CC1)C(C)C | 10.1016/s0960-894x(02)00310-4 | |||
| CHEMBL294087 | 100947 | 0 | None | -645 | 3 | Human | 4.3 | pKi | = | 4.3 | Binding | ChEMBL | 401 | 10 | 1 | 5 | 2.4 | CN[C@@H](C(=O)N1CCN(CCCOc2ccc(C(=O)C3CC3)cc2)CC1)C(C)C | 10.1016/s0960-894x(02)00310-4 | |||
| 1231 | 937 | 116 | None | -2 | 7 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 252 | 5 | 3 | 4 | 0.6 | N#CNC(=NC)NCCSCc1nc[nH]c1C | 10.1021/acs.jmedchem.6b01422 | |||
| 2756 | 937 | 116 | None | -2 | 7 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 252 | 5 | 3 | 4 | 0.6 | N#CNC(=NC)NCCSCc1nc[nH]c1C | 10.1021/acs.jmedchem.6b01422 | |||
| 645 | 937 | 116 | None | -2 | 7 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 252 | 5 | 3 | 4 | 0.6 | N#CNC(=NC)NCCSCc1nc[nH]c1C | 10.1021/acs.jmedchem.6b01422 | |||
| CHEMBL30 | 937 | 116 | None | -2 | 7 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 252 | 5 | 3 | 4 | 0.6 | N#CNC(=NC)NCCSCc1nc[nH]c1C | 10.1021/acs.jmedchem.6b01422 | |||
| DB00501 | 937 | 116 | None | -2 | 7 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 252 | 5 | 3 | 4 | 0.6 | N#CNC(=NC)NCCSCc1nc[nH]c1C | 10.1021/acs.jmedchem.6b01422 | |||
| 44467360 | 124535 | 0 | None | 3 | 2 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 420 | 3 | 2 | 6 | 1.5 | COc1nc(N2C[C@H]3C(=O)N(C)C(=N)N[C@@]3(c3ccc(F)cc3F)C2)nc(C)c1F | 10.1021/acs.jmedchem.5b01995 | |||
| CHEMBL3640290 | 124535 | 0 | None | 3 | 2 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 420 | 3 | 2 | 6 | 1.5 | COc1nc(N2C[C@H]3C(=O)N(C)C(=N)N[C@@]3(c3ccc(F)cc3F)C2)nc(C)c1F | 10.1021/acs.jmedchem.5b01995 | |||
| 168295528 | 193031 | 0 | None | -147 | 20 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 333 | 6 | 4 | 5 | 0.9 | N/C(=N\C(=O)NCc1ccccc1)NCCCc1nnc(N)s1 | 10.1021/acs.jmedchem.1c00692 | |||
| CHEMBL5206565 | 193031 | 0 | None | -147 | 20 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 333 | 6 | 4 | 5 | 0.9 | N/C(=N\C(=O)NCc1ccccc1)NCCCc1nnc(N)s1 | 10.1021/acs.jmedchem.1c00692 | |||
| CHEMBL5222872 | 193031 | 0 | None | -147 | 20 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 333 | 6 | 4 | 5 | 0.9 | N/C(=N\C(=O)NCc1ccccc1)NCCCc1nnc(N)s1 | 10.1021/acs.jmedchem.1c00692 | |||
| 168290815 | 192973 | 0 | None | -537 | 6 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 327 | 9 | 4 | 5 | 1.2 | CCCCCCNC(=O)/N=C(\N)NCCCc1nnc(N)s1 | 10.1021/acs.jmedchem.1c00692 | |||
| CHEMBL5200771 | 192973 | 0 | None | -537 | 6 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 327 | 9 | 4 | 5 | 1.2 | CCCCCCNC(=O)/N=C(\N)NCCCc1nnc(N)s1 | 10.1021/acs.jmedchem.1c00692 | |||
| CHEMBL5222529 | 192973 | 0 | None | -537 | 6 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 327 | 9 | 4 | 5 | 1.2 | CCCCCCNC(=O)/N=C(\N)NCCCc1nnc(N)s1 | 10.1021/acs.jmedchem.1c00692 | |||
| 168273640 | 192805 | 0 | None | -6 | 6 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 568 | 15 | 8 | 10 | -0.1 | N/C(=N\C(=O)NCCCCCCNC(=O)/N=C(\N)NCCCc1nnc(N)s1)NCCCc1nnc(N)s1 | 10.1021/acs.jmedchem.1c00692 | |||
| CHEMBL5176229 | 192805 | 0 | None | -6 | 6 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 568 | 15 | 8 | 10 | -0.1 | N/C(=N\C(=O)NCCCCCCNC(=O)/N=C(\N)NCCCc1nnc(N)s1)NCCCc1nnc(N)s1 | 10.1021/acs.jmedchem.1c00692 | |||
| CHEMBL5221444 | 192805 | 0 | None | -6 | 6 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 568 | 15 | 8 | 10 | -0.1 | N/C(=N\C(=O)NCCCCCCNC(=O)/N=C(\N)NCCCc1nnc(N)s1)NCCCc1nnc(N)s1 | 10.1021/acs.jmedchem.1c00692 | |||
| 46780481 | 107531 | 20 | None | -21 | 53 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 285 | 0 | 0 | 2 | 4.3 | CN1CC2c3ccccc3Oc3ccc(Cl)cc3C2C1 | 10.1016/j.bmcl.2013.12.024 | |||
| 9903970 | 107531 | 20 | None | -21 | 53 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 285 | 0 | 0 | 2 | 4.3 | CN1CC2c3ccccc3Oc3ccc(Cl)cc3C2C1 | 10.1016/j.bmcl.2013.12.024 | |||
| CHEMBL3187365 | 107531 | 20 | None | -21 | 53 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 285 | 0 | 0 | 2 | 4.3 | CN1CC2c3ccccc3Oc3ccc(Cl)cc3C2C1 | 10.1016/j.bmcl.2013.12.024 | |||
| CHEMBL3544974 | 107531 | 20 | None | -21 | 53 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 285 | 0 | 0 | 2 | 4.3 | CN1CC2c3ccccc3Oc3ccc(Cl)cc3C2C1 | 10.1016/j.bmcl.2013.12.024 | |||
| 46780481 | 107531 | 20 | None | -21 | 53 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 285 | 0 | 0 | 2 | 4.3 | CN1CC2c3ccccc3Oc3ccc(Cl)cc3C2C1 | 10.1016/j.bmcl.2013.12.024 | |||
| 9903970 | 107531 | 20 | None | -21 | 53 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 285 | 0 | 0 | 2 | 4.3 | CN1CC2c3ccccc3Oc3ccc(Cl)cc3C2C1 | 10.1016/j.bmcl.2013.12.024 | |||
| CHEMBL3187365 | 107531 | 20 | None | -21 | 53 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 285 | 0 | 0 | 2 | 4.3 | CN1CC2c3ccccc3Oc3ccc(Cl)cc3C2C1 | 10.1016/j.bmcl.2013.12.024 | |||
| CHEMBL3544974 | 107531 | 20 | None | -21 | 53 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 285 | 0 | 0 | 2 | 4.3 | CN1CC2c3ccccc3Oc3ccc(Cl)cc3C2C1 | 10.1016/j.bmcl.2013.12.024 | |||
| 44334395 | 4961 | 0 | None | -144 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 446 | 10 | 1 | 5 | 3.2 | O=C(c1ccc(OCCCN2CC[C@H](NS(=O)(=O)c3ccc(F)cc3)C2)cc1)C1CC1 | 10.1016/s0960-894x(02)00685-6 | |||
| CHEMBL104808 | 4961 | 0 | None | -144 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 446 | 10 | 1 | 5 | 3.2 | O=C(c1ccc(OCCCN2CC[C@H](NS(=O)(=O)c3ccc(F)cc3)C2)cc1)C1CC1 | 10.1016/s0960-894x(02)00685-6 | |||
| 1204 | 1932 | 119 | None | -173 | 24 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.5b00516 | |||
| 1247 | 1932 | 119 | None | -173 | 24 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.5b00516 | |||
| 1375 | 1932 | 119 | None | -173 | 24 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.5b00516 | |||
| 774 | 1932 | 119 | None | -173 | 24 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.5b00516 | |||
| CHEMBL90 | 1932 | 119 | None | -173 | 24 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.5b00516 | |||
| DB05381 | 1932 | 119 | None | -173 | 24 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.5b00516 | |||
| 44334265 | 109683 | 0 | None | -25 | 3 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 368 | 8 | 1 | 6 | 2.0 | CC(=O)c1ccc(OCCCN2CC[C@H](NC(=O)c3cnccn3)C2)cc1 | 10.1016/s0960-894x(02)00685-6 | |||
| CHEMBL322695 | 109683 | 0 | None | -25 | 3 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 368 | 8 | 1 | 6 | 2.0 | CC(=O)c1ccc(OCCCN2CC[C@H](NC(=O)c3cnccn3)C2)cc1 | 10.1016/s0960-894x(02)00685-6 | |||
| 44334521 | 107836 | 0 | None | -36 | 3 | Human | 4.3 | pKi | = | 4.3 | Binding | ChEMBL | 262 | 6 | 1 | 4 | 1.7 | CC(=O)c1ccc(OCCCN2CC[C@H](N)C2)cc1 | 10.1016/s0960-894x(02)00685-6 | |||
| CHEMBL319231 | 107836 | 0 | None | -36 | 3 | Human | 4.3 | pKi | = | 4.3 | Binding | ChEMBL | 262 | 6 | 1 | 4 | 1.7 | CC(=O)c1ccc(OCCCN2CC[C@H](N)C2)cc1 | 10.1016/s0960-894x(02)00685-6 | |||
| 1226 | 2019 | 20 | None | -7 | 6 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 321 | 9 | 4 | 4 | 1.2 | NC(=NCCCc1cnc[nH]1)NCCSCc1nc[nH]c1C | 10.1016/j.bmcl.2010.10.041 | |||
| 41376 | 2019 | 20 | None | -7 | 6 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 321 | 9 | 4 | 4 | 1.2 | NC(=NCCCc1cnc[nH]1)NCCSCc1nc[nH]c1C | 10.1016/j.bmcl.2010.10.041 | |||
| CHEMBL12608 | 2019 | 20 | None | -7 | 6 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 321 | 9 | 4 | 4 | 1.2 | NC(=NCCCc1cnc[nH]1)NCCSCc1nc[nH]c1C | 10.1016/j.bmcl.2010.10.041 | |||
| 10015196 | 103620 | 0 | None | -251 | 3 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 254 | 8 | 3 | 2 | 2.4 | CCC/N=C(\S)NCCCCCc1c[nH]cn1 | 10.1021/jm00012a025 | |||
| CHEMBL308717 | 103620 | 0 | None | -251 | 3 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 254 | 8 | 3 | 2 | 2.4 | CCC/N=C(\S)NCCCCCc1c[nH]cn1 | 10.1021/jm00012a025 | |||
| 44304056 | 102724 | 1 | None | -5754 | 3 | Human | 4.3 | pKi | = | 4.3 | Binding | ChEMBL | 401 | 10 | 1 | 5 | 2.6 | CC(C)N[C@H](C)C(=O)N1CCN(CCCOc2ccc(C(=O)C3CC3)cc2)CC1 | 10.1016/s0960-894x(02)00310-4 | |||
| CHEMBL304888 | 102724 | 1 | None | -5754 | 3 | Human | 4.3 | pKi | = | 4.3 | Binding | ChEMBL | 401 | 10 | 1 | 5 | 2.6 | CC(C)N[C@H](C)C(=O)N1CCN(CCCOc2ccc(C(=O)C3CC3)cc2)CC1 | 10.1016/s0960-894x(02)00310-4 | |||
| 44304316 | 203133 | 0 | None | -416 | 3 | Human | 4.3 | pKi | = | 4.3 | Binding | ChEMBL | 485 | 8 | 0 | 6 | 3.6 | CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)N1CCN(CCCOc2ccc(C(=O)C3CC3)cc2)CC1 | 10.1016/s0960-894x(02)00310-4 | |||
| CHEMBL64120 | 203133 | 0 | None | -416 | 3 | Human | 4.3 | pKi | = | 4.3 | Binding | ChEMBL | 485 | 8 | 0 | 6 | 3.6 | CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)N1CCN(CCCOc2ccc(C(=O)C3CC3)cc2)CC1 | 10.1016/s0960-894x(02)00310-4 | |||
| 1204 | 1932 | 119 | None | -173 | 24 | Human | 4.3 | pKi | = | 4.3 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1016/j.bmcl.2010.10.041 | |||
| 1247 | 1932 | 119 | None | -173 | 24 | Human | 4.3 | pKi | = | 4.3 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1016/j.bmcl.2010.10.041 | |||
| 1375 | 1932 | 119 | None | -173 | 24 | Human | 4.3 | pKi | = | 4.3 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1016/j.bmcl.2010.10.041 | |||
| 774 | 1932 | 119 | None | -173 | 24 | Human | 4.3 | pKi | = | 4.3 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1016/j.bmcl.2010.10.041 | |||
| CHEMBL90 | 1932 | 119 | None | -173 | 24 | Human | 4.3 | pKi | = | 4.3 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1016/j.bmcl.2010.10.041 | |||
| DB05381 | 1932 | 119 | None | -173 | 24 | Human | 4.3 | pKi | = | 4.3 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1016/j.bmcl.2010.10.041 | |||
| 132060770 | 162639 | 0 | None | -8 | 10 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 451 | 7 | 0 | 6 | 3.5 | CCOC(=O)CCN1CCN(c2ccc3c(c2)CN(C(=O)OCc2ccccc2)CC3)CC1 | 10.1016/j.ejmech.2018.02.024 | |||
| CHEMBL4169689 | 162639 | 0 | None | -8 | 10 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 451 | 7 | 0 | 6 | 3.5 | CCOC(=O)CCN1CCN(c2ccc3c(c2)CN(C(=O)OCc2ccccc2)CC3)CC1 | 10.1016/j.ejmech.2018.02.024 | |||
| 2812 | 4779 | 101 | None | -33 | 34 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 344 | 4 | 0 | 2 | 5.4 | Clc1ccccc1C(c1ccccc1)(c1ccccc1)n1ccnc1 | nan | |||
| CHEMBL104 | 4779 | 101 | None | -33 | 34 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 344 | 4 | 0 | 2 | 5.4 | Clc1ccccc1C(c1ccccc1)(c1ccccc1)n1ccnc1 | nan | |||
| 164622330 | 185862 | 0 | None | -2 | 6 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 360 | 6 | 4 | 4 | 2.3 | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)N[C@@H](C)c1ccccc1 | 10.1016/j.ejmech.2021.113190 | |||
| CHEMBL4867962 | 185862 | 0 | None | -2 | 6 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 360 | 6 | 4 | 4 | 2.3 | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)N[C@@H](C)c1ccccc1 | 10.1016/j.ejmech.2021.113190 | |||
| 164627774 | 186565 | 0 | None | 1 | 6 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 344 | 3 | 4 | 4 | 1.4 | N/C(=N\C(=O)NCc1ccccc1)NC1CCc2nc(N)sc2C1 | 10.1016/j.ejmech.2021.113190 | |||
| CHEMBL4878215 | 186565 | 0 | None | 1 | 6 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 344 | 3 | 4 | 4 | 1.4 | N/C(=N\C(=O)NCc1ccccc1)NC1CCc2nc(N)sc2C1 | 10.1016/j.ejmech.2021.113190 | |||
| 71452172 | 83518 | 0 | None | -1 | 3 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 274 | 6 | 1 | 5 | 2.4 | c1ccc(OCc2cc(OC[C@@H]3CCCN3)no2)cc1 | 10.1021/ml3002715 | |||
| CHEMBL2203551 | 83518 | 0 | None | -1 | 3 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 274 | 6 | 1 | 5 | 2.4 | c1ccc(OCc2cc(OC[C@@H]3CCCN3)no2)cc1 | 10.1021/ml3002715 | |||
| 155552683 | 174166 | 0 | None | -40 | 4 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 379 | 4 | 2 | 5 | 4.1 | Clc1ccc(C#Cc2nc(NCCc3ccccc3)c3nc[nH]c3n2)s1 | 10.1039/C8MD00317C | |||
| CHEMBL4546937 | 174166 | 0 | None | -40 | 4 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 379 | 4 | 2 | 5 | 4.1 | Clc1ccc(C#Cc2nc(NCCc3ccccc3)c3nc[nH]c3n2)s1 | 10.1039/C8MD00317C | |||
| 164622256 | 185716 | 0 | None | - | 1 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 318 | 4 | 4 | 4 | 2.2 | CCCNC(=O)/N=C(\N)Nc1cccc(-c2csc(N)n2)c1 | 10.1016/j.ejmech.2021.113190 | |||
| CHEMBL4865670 | 185716 | 0 | None | - | 1 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 318 | 4 | 4 | 4 | 2.2 | CCCNC(=O)/N=C(\N)Nc1cccc(-c2csc(N)n2)c1 | 10.1016/j.ejmech.2021.113190 | |||
| 145992489 | 166977 | 0 | None | -1 | 12 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 535 | 7 | 1 | 2 | 7.8 | OC1(c2ccc(Cl)c(C(F)(F)F)c2)CCN(CCCC=C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 | 10.1016/j.bmcl.2018.10.036 | |||
| CHEMBL4287623 | 166977 | 0 | None | -1 | 12 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 535 | 7 | 1 | 2 | 7.8 | OC1(c2ccc(Cl)c(C(F)(F)F)c2)CCN(CCCC=C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 | 10.1016/j.bmcl.2018.10.036 | |||
| 168290235 | 192968 | 0 | None | -1737 | 20 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 315 | 6 | 4 | 3 | 1.1 | C[C@@H](NC(=O)/N=C(\N)NCCCc1ncn[nH]1)c1ccccc1 | 10.1021/acs.jmedchem.1c00692 | |||
| CHEMBL5201074 | 192968 | 0 | None | -1737 | 20 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 315 | 6 | 4 | 3 | 1.1 | C[C@@H](NC(=O)/N=C(\N)NCCCc1ncn[nH]1)c1ccccc1 | 10.1021/acs.jmedchem.1c00692 | |||
| CHEMBL5222491 | 192968 | 0 | None | -1737 | 20 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 315 | 6 | 4 | 3 | 1.1 | C[C@@H](NC(=O)/N=C(\N)NCCCc1ncn[nH]1)c1ccccc1 | 10.1021/acs.jmedchem.1c00692 | |||
| 71454295 | 84079 | 0 | None | -660 | 7 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 536 | 8 | 0 | 6 | 5.5 | COc1ccccc1N1CCN(Cc2cc(CN3CCN(c4ccccc4OC)CC3)c3cccccc2-3)CC1 | 10.1016/j.bmcl.2012.09.064 | |||
| CHEMBL2207641 | 84079 | 0 | None | -660 | 7 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 536 | 8 | 0 | 6 | 5.5 | COc1ccccc1N1CCN(Cc2cc(CN3CCN(c4ccccc4OC)CC3)c3cccccc2-3)CC1 | 10.1016/j.bmcl.2012.09.064 | |||
| 44304329 | 203227 | 0 | None | -1778 | 3 | Human | 4.3 | pKi | = | 4.3 | Binding | ChEMBL | 385 | 8 | 1 | 5 | 1.9 | O=C(c1ccc(OCCCN2CCN(C(=O)[C@H]3CCCN3)CC2)cc1)C1CC1 | 10.1016/s0960-894x(02)00310-4 | |||
| CHEMBL64461 | 203227 | 0 | None | -1778 | 3 | Human | 4.3 | pKi | = | 4.3 | Binding | ChEMBL | 385 | 8 | 1 | 5 | 1.9 | O=C(c1ccc(OCCCN2CCN(C(=O)[C@H]3CCCN3)CC2)cc1)C1CC1 | 10.1016/s0960-894x(02)00310-4 | |||
| 24841480 | 183899 | 0 | None | -269 | 20 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 340 | 3 | 0 | 4 | 4.5 | O=C(OCCN1CCCC1)N1c2ccccc2Sc2ccccc21 | 10.1016/j.bmcl.2013.04.082 | |||
| CHEMBL481153 | 183899 | 0 | None | -269 | 20 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 340 | 3 | 0 | 4 | 4.5 | O=C(OCCN1CCCC1)N1c2ccccc2Sc2ccccc21 | 10.1016/j.bmcl.2013.04.082 | |||
| 1231 | 937 | 116 | None | -2 | 7 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 252 | 5 | 3 | 4 | 0.6 | N#CNC(=NC)NCCSCc1nc[nH]c1C | nan | |||
| 2756 | 937 | 116 | None | -2 | 7 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 252 | 5 | 3 | 4 | 0.6 | N#CNC(=NC)NCCSCc1nc[nH]c1C | nan | |||
| 645 | 937 | 116 | None | -2 | 7 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 252 | 5 | 3 | 4 | 0.6 | N#CNC(=NC)NCCSCc1nc[nH]c1C | nan | |||
| CHEMBL30 | 937 | 116 | None | -2 | 7 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 252 | 5 | 3 | 4 | 0.6 | N#CNC(=NC)NCCSCc1nc[nH]c1C | nan | |||
| DB00501 | 937 | 116 | None | -2 | 7 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 252 | 5 | 3 | 4 | 0.6 | N#CNC(=NC)NCCSCc1nc[nH]c1C | nan | |||
| 155558968 | 174818 | 0 | None | 1 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 432 | 3 | 2 | 5 | 3.2 | Cc1cccc(C)c1N1C(=O)[C@H](CC2CNc3ccccc32)NC2(CCN(C)CC2)C1=O | 10.1016/j.ejmech.2018.12.048 | |||
| CHEMBL4562437 | 174818 | 0 | None | 1 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 432 | 3 | 2 | 5 | 3.2 | Cc1cccc(C)c1N1C(=O)[C@H](CC2CNc3ccccc32)NC2(CCN(C)CC2)C1=O | 10.1016/j.ejmech.2018.12.048 | |||
| 53325242 | 57070 | 0 | None | -2 | 17 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 537 | 8 | 1 | 2 | 7.9 | OC1(c2ccc(Cl)c(C(F)(F)F)c2)CCN(CCCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1 | 10.1016/j.bmcl.2018.10.036 | |||
| CHEMBL1644978 | 57070 | 0 | None | -2 | 17 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 537 | 8 | 1 | 2 | 7.9 | OC1(c2ccc(Cl)c(C(F)(F)F)c2)CCN(CCCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1 | 10.1016/j.bmcl.2018.10.036 | |||
| 162644910 | 179411 | 0 | None | -50 | 3 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 407 | 7 | 0 | 4 | 5.0 | Clc1cccc(-c2ccc(OCCCN3CCN(c4ccncc4)CC3)cc2)c1 | 10.1016/j.ejmech.2020.113041 | |||
| CHEMBL4740135 | 179411 | 0 | None | -50 | 3 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 407 | 7 | 0 | 4 | 5.0 | Clc1cccc(-c2ccc(OCCCN3CCN(c4ccncc4)CC3)cc2)c1 | 10.1016/j.ejmech.2020.113041 | |||
| 168268716 | 192762 | 0 | None | 1 | 4 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 372 | 3 | 4 | 4 | 3.5 | Cc1nc(N)sc1-c1ccc(N/C(N)=N/C(=O)NC2CCCCC2)cc1 | 10.1021/acs.jmedchem.1c00692 | |||
| CHEMBL5170276 | 192762 | 0 | None | 1 | 4 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 372 | 3 | 4 | 4 | 3.5 | Cc1nc(N)sc1-c1ccc(N/C(N)=N/C(=O)NC2CCCCC2)cc1 | 10.1021/acs.jmedchem.1c00692 | |||
| CHEMBL5221176 | 192762 | 0 | None | 1 | 4 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 372 | 3 | 4 | 4 | 3.5 | Cc1nc(N)sc1-c1ccc(N/C(N)=N/C(=O)NC2CCCCC2)cc1 | 10.1021/acs.jmedchem.1c00692 | |||
| 71450707 | 84078 | 0 | None | -1445 | 7 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 444 | 6 | 0 | 5 | 3.9 | COc1ccccc1N1CCN(Cc2cc(CN3CCN(C)CC3)c3cccccc2-3)CC1 | 10.1016/j.bmcl.2012.09.064 | |||
| CHEMBL2207640 | 84078 | 0 | None | -1445 | 7 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 444 | 6 | 0 | 5 | 3.9 | COc1ccccc1N1CCN(Cc2cc(CN3CCN(C)CC3)c3cccccc2-3)CC1 | 10.1016/j.bmcl.2012.09.064 | |||
| 155531772 | 176666 | 0 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 334 | 8 | 3 | 6 | 3.3 | Cc1[nH]cnc1CSCCNc1ccnc(NCC(C)(C)C)n1 | 10.1021/acs.jmedchem.9b01342 | |||
| CHEMBL4466349 | 176666 | 0 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 334 | 8 | 3 | 6 | 3.3 | Cc1[nH]cnc1CSCCNc1ccnc(NCC(C)(C)C)n1 | 10.1021/acs.jmedchem.9b01342 | |||
| CHEMBL4598197 | 176666 | 0 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 334 | 8 | 3 | 6 | 3.3 | Cc1[nH]cnc1CSCCNc1ccnc(NCC(C)(C)C)n1 | 10.1021/acs.jmedchem.9b01342 | |||
| CHEMBL5083588 | 215534 | 0 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | None | None | None | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NCCCCCCCCNC(=O)CCCCCN1/C(=C/C=C/C=C/C2=[N+](CCCCS(=O)(=O)[O-])c3ccccc3C2(C)C)c2ccccc2C1(C)C | 10.1016/j.bmcl.2021.128388 | |||||
| CHEMBL5095633 | 215534 | 0 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | None | None | None | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NCCCCCCCCNC(=O)CCCCCN1/C(=C/C=C/C=C/C2=[N+](CCCCS(=O)(=O)[O-])c3ccccc3C2(C)C)c2ccccc2C1(C)C | 10.1016/j.bmcl.2021.128388 | |||||
| 44335351 | 5067 | 0 | None | -29 | 3 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 402 | 7 | 0 | 4 | 4.6 | CCOC(=O)N1CCN(CCCOc2ccc(-c3ccc(Cl)cc3)cc2)CC1 | 10.1016/s0960-894x(02)00648-0 | |||
| CHEMBL105385 | 5067 | 0 | None | -29 | 3 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 402 | 7 | 0 | 4 | 4.6 | CCOC(=O)N1CCN(CCCOc2ccc(-c3ccc(Cl)cc3)cc2)CC1 | 10.1016/s0960-894x(02)00648-0 | |||
| 168275750 | 192826 | 0 | None | -87 | 4 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 332 | 6 | 3 | 4 | 1.6 | Cc1nnc(CCCN/C(N)=N/C(=O)NCc2ccccc2)s1 | 10.1021/acs.jmedchem.1c00692 | |||
| CHEMBL5175558 | 192826 | 0 | None | -87 | 4 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 332 | 6 | 3 | 4 | 1.6 | Cc1nnc(CCCN/C(N)=N/C(=O)NCc2ccccc2)s1 | 10.1021/acs.jmedchem.1c00692 | |||
| CHEMBL5221581 | 192826 | 0 | None | -87 | 4 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 332 | 6 | 3 | 4 | 1.6 | Cc1nnc(CCCN/C(N)=N/C(=O)NCc2ccccc2)s1 | 10.1021/acs.jmedchem.1c00692 | |||
| 44304475 | 202767 | 0 | None | -10471 | 3 | Human | 4.3 | pKi | = | 4.3 | Binding | ChEMBL | 348 | 8 | 0 | 5 | 2.8 | CCOC(=O)N1CCN(CCCOc2ccc(C(=O)CC)cc2)CC1 | 10.1016/s0960-894x(02)00309-8 | |||
| CHEMBL62066 | 202767 | 0 | None | -10471 | 3 | Human | 4.3 | pKi | = | 4.3 | Binding | ChEMBL | 348 | 8 | 0 | 5 | 2.8 | CCOC(=O)N1CCN(CCCOc2ccc(C(=O)CC)cc2)CC1 | 10.1016/s0960-894x(02)00309-8 | |||
| 44335222 | 163456 | 0 | None | -20 | 3 | Human | 4.2 | pKi | = | 4.2 | Binding | ChEMBL | 369 | 7 | 0 | 5 | 3.3 | CCOC(=O)N1CCN(CCCOc2ccc(-c3ccncc3)cc2)CC1 | 10.1016/s0960-894x(02)00648-0 | |||
| CHEMBL419912 | 163456 | 0 | None | -20 | 3 | Human | 4.2 | pKi | = | 4.2 | Binding | ChEMBL | 369 | 7 | 0 | 5 | 3.3 | CCOC(=O)N1CCN(CCCOc2ccc(-c3ccncc3)cc2)CC1 | 10.1016/s0960-894x(02)00648-0 | |||
| 44304357 | 200610 | 0 | None | -4786 | 3 | Human | 4.2 | pKi | = | 4.2 | Binding | ChEMBL | 415 | 9 | 1 | 5 | 3.0 | CC(C)(C)C[C@@H](N)C(=O)N1CCN(CCCOc2ccc(C(=O)C3CC3)cc2)CC1 | 10.1016/s0960-894x(02)00310-4 | |||
| CHEMBL59931 | 200610 | 0 | None | -4786 | 3 | Human | 4.2 | pKi | = | 4.2 | Binding | ChEMBL | 415 | 9 | 1 | 5 | 3.0 | CC(C)(C)C[C@@H](N)C(=O)N1CCN(CCCOc2ccc(C(=O)C3CC3)cc2)CC1 | 10.1016/s0960-894x(02)00310-4 | |||
| 137645406 | 157902 | 0 | None | -75 | 13 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 491 | 8 | 0 | 7 | 5.4 | COc1ccccc1N1CCC2(CCN(CCCSc3nnc(-c4ccccc4)n3C)CC2)CC1 | 10.1021/acs.jmedchem.9b00412 | |||
| CHEMBL4084262 | 157902 | 0 | None | -75 | 13 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 491 | 8 | 0 | 7 | 5.4 | COc1ccccc1N1CCC2(CCN(CCCSc3nnc(-c4ccccc4)n3C)CC2)CC1 | 10.1021/acs.jmedchem.9b00412 | |||
| 168294182 | 193048 | 0 | None | -3 | 4 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 314 | 6 | 4 | 2 | 1.7 | C[C@@H](NC(=O)/N=C(\N)NCCCc1c[nH]cn1)c1ccccc1 | 10.1021/acs.jmedchem.1c00692 | |||
| CHEMBL5208722 | 193048 | 0 | None | -3 | 4 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 314 | 6 | 4 | 2 | 1.7 | C[C@@H](NC(=O)/N=C(\N)NCCCc1c[nH]cn1)c1ccccc1 | 10.1021/acs.jmedchem.1c00692 | |||
| CHEMBL5222960 | 193048 | 0 | None | -3 | 4 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 314 | 6 | 4 | 2 | 1.7 | C[C@@H](NC(=O)/N=C(\N)NCCCc1c[nH]cn1)c1ccccc1 | 10.1021/acs.jmedchem.1c00692 | |||
| 168268853 | 192785 | 0 | None | -2 | 6 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 389 | 8 | 4 | 5 | 1.9 | Cc1ccc(CC(C)CNC(=O)/N=C(\N)NCCCc2nnc(N)s2)cc1 | 10.1021/acs.jmedchem.1c00692 | |||
| CHEMBL5180504 | 192785 | 0 | None | -2 | 6 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 389 | 8 | 4 | 5 | 1.9 | Cc1ccc(CC(C)CNC(=O)/N=C(\N)NCCCc2nnc(N)s2)cc1 | 10.1021/acs.jmedchem.1c00692 | |||
| CHEMBL5221353 | 192785 | 0 | None | -2 | 6 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 389 | 8 | 4 | 5 | 1.9 | Cc1ccc(CC(C)CNC(=O)/N=C(\N)NCCCc2nnc(N)s2)cc1 | 10.1021/acs.jmedchem.1c00692 | |||
| 164609017 | 184425 | 0 | None | -1 | 6 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 416 | 10 | 4 | 4 | 3.2 | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NCC(C)CCCc1ccccc1 | 10.1016/j.ejmech.2021.113190 | |||
| CHEMBL4846201 | 184425 | 0 | None | -1 | 6 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 416 | 10 | 4 | 4 | 3.2 | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NCC(C)CCCc1ccccc1 | 10.1016/j.ejmech.2021.113190 | |||
| 164610289 | 185133 | 0 | None | 38 | 4 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 438 | 7 | 4 | 4 | 3.5 | Cc1nc(N)sc1CCCN/C(N)=N/C(=S)NC(c1ccccc1)c1ccccc1 | 10.1016/j.ejmech.2021.113190 | |||
| CHEMBL4856602 | 185133 | 0 | None | 38 | 4 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 438 | 7 | 4 | 4 | 3.5 | Cc1nc(N)sc1CCCN/C(N)=N/C(=S)NC(c1ccccc1)c1ccccc1 | 10.1016/j.ejmech.2021.113190 | |||
| 44304378 | 163272 | 0 | None | -2951 | 3 | Human | 4.2 | pKi | = | 4.2 | Binding | ChEMBL | 423 | 11 | 0 | 5 | 4.1 | CCCCCC(=O)c1ccc(OCCCN2CCN(C(=O)c3cccnc3)CC2)cc1 | 10.1016/s0960-894x(02)00309-8 | |||
| CHEMBL418658 | 163272 | 0 | None | -2951 | 3 | Human | 4.2 | pKi | = | 4.2 | Binding | ChEMBL | 423 | 11 | 0 | 5 | 4.1 | CCCCCC(=O)c1ccc(OCCCN2CCN(C(=O)c3cccnc3)CC2)cc1 | 10.1016/s0960-894x(02)00309-8 | |||
| 44304348 | 100602 | 0 | None | -15135 | 3 | Human | 4.2 | pKi | = | 4.2 | Binding | ChEMBL | 387 | 10 | 1 | 5 | 2.3 | CCC[C@@H](N)C(=O)N1CCN(CCCOc2ccc(C(=O)C3CC3)cc2)CC1 | 10.1016/s0960-894x(02)00310-4 | |||
| CHEMBL291821 | 100602 | 0 | None | -15135 | 3 | Human | 4.2 | pKi | = | 4.2 | Binding | ChEMBL | 387 | 10 | 1 | 5 | 2.3 | CCC[C@@H](N)C(=O)N1CCN(CCCOc2ccc(C(=O)C3CC3)cc2)CC1 | 10.1016/s0960-894x(02)00310-4 | |||
| 44334036 | 167792 | 0 | None | -154 | 3 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 391 | 8 | 1 | 5 | 3.0 | CC(=O)c1ccc(OCCCN2CC[C@H](NC(=O)c3ccc(C#N)cc3)C2)cc1 | 10.1016/s0960-894x(02)00685-6 | |||
| CHEMBL430502 | 167792 | 0 | None | -154 | 3 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 391 | 8 | 1 | 5 | 3.0 | CC(=O)c1ccc(OCCCN2CC[C@H](NC(=O)c3ccc(C#N)cc3)C2)cc1 | 10.1016/s0960-894x(02)00685-6 | |||
| 71454294 | 84077 | 0 | None | -1348 | 7 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 431 | 6 | 0 | 5 | 4.0 | COc1ccccc1N1CCN(Cc2cc(CN3CCOCC3)c3cccccc2-3)CC1 | 10.1016/j.bmcl.2012.09.064 | |||
| CHEMBL2207639 | 84077 | 0 | None | -1348 | 7 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 431 | 6 | 0 | 5 | 4.0 | COc1ccccc1N1CCN(Cc2cc(CN3CCOCC3)c3cccccc2-3)CC1 | 10.1016/j.bmcl.2012.09.064 | |||
| 71449142 | 79518 | 0 | None | -104 | 3 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 442 | 9 | 0 | 6 | 4.2 | CCOC(=O)N1CCN(CCCOc2ccc(C(=O)c3ccc(SC)cc3)cc2)CC1 | 10.1016/s0960-894x(02)00309-8 | |||
| CHEMBL2113738 | 79518 | 0 | None | -104 | 3 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 442 | 9 | 0 | 6 | 4.2 | CCOC(=O)N1CCN(CCCOc2ccc(C(=O)c3ccc(SC)cc3)cc2)CC1 | 10.1016/s0960-894x(02)00309-8 | |||
| 44334037 | 4446 | 0 | None | -112 | 3 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 450 | 9 | 1 | 7 | 3.7 | CC(=O)c1ccc(OCCCN2CC[C@H](NC(=O)c3csc(-c4cccnc4)n3)C2)cc1 | 10.1016/s0960-894x(02)00685-6 | |||
| CHEMBL101634 | 4446 | 0 | None | -112 | 3 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 450 | 9 | 1 | 7 | 3.7 | CC(=O)c1ccc(OCCCN2CC[C@H](NC(=O)c3csc(-c4cccnc4)n3)C2)cc1 | 10.1016/s0960-894x(02)00685-6 | |||
| 73355415 | 92533 | 0 | None | -32 | 13 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 277 | 3 | 1 | 1 | 2.1 | C1C2C3CC4C2C2C1C3[C@H](NCC13C5C6C7C5C1C7C63)C42 | 10.1016/j.bmc.2013.07.045 | |||
| CHEMBL2432039 | 92533 | 0 | None | -32 | 13 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 277 | 3 | 1 | 1 | 2.1 | C1C2C3CC4C2C2C1C3[C@H](NCC13C5C6C7C5C1C7C63)C42 | 10.1016/j.bmc.2013.07.045 | |||
| CHEMBL5092267 | 215355 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | None | None | None | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NCCCCCCC[n+]1c(C)cc(/C=C/C=C/c2ccc(N(C)C)cc2)cc1C | 10.1016/j.bmcl.2021.128388 | |||||
| 164611474 | 185452 | 0 | None | 407 | 4 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 366 | 6 | 4 | 5 | 2.4 | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NC(C)c1cccs1 | 10.1016/j.ejmech.2021.113190 | |||
| CHEMBL4861704 | 185452 | 0 | None | 407 | 4 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 366 | 6 | 4 | 5 | 2.4 | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NC(C)c1cccs1 | 10.1016/j.ejmech.2021.113190 | |||
| 164624107 | 185722 | 0 | None | -1 | 6 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 402 | 9 | 4 | 4 | 2.8 | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NCC(C)CCc1ccccc1 | 10.1016/j.ejmech.2021.113190 | |||
| CHEMBL4865765 | 185722 | 0 | None | -1 | 6 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 402 | 9 | 4 | 4 | 2.8 | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NCC(C)CCc1ccccc1 | 10.1016/j.ejmech.2021.113190 | |||
| 164620678 | 186019 | 0 | None | 177 | 4 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 374 | 7 | 4 | 4 | 2.7 | CCC(NC(=O)/N=C(\N)NCCCc1sc(N)nc1C)c1ccccc1 | 10.1016/j.ejmech.2021.113190 | |||
| CHEMBL4870510 | 186019 | 0 | None | 177 | 4 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 374 | 7 | 4 | 4 | 2.7 | CCC(NC(=O)/N=C(\N)NCCCc1sc(N)nc1C)c1ccccc1 | 10.1016/j.ejmech.2021.113190 | |||
| 126688 | 404 | 33 | None | -1 | 3 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 157 | 2 | 2 | 4 | 0.5 | NCCc1sc(nc1C)N | 10.1016/j.bmcl.2010.10.041 | |||
| 4025 | 404 | 33 | None | -1 | 3 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 157 | 2 | 2 | 4 | 0.5 | NCCc1sc(nc1C)N | 10.1016/j.bmcl.2010.10.041 | |||
| CHEMBL293762 | 404 | 33 | None | -1 | 3 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 157 | 2 | 2 | 4 | 0.5 | NCCc1sc(nc1C)N | 10.1016/j.bmcl.2010.10.041 | |||
| 155551348 | 173957 | 0 | None | 1 | 2 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 487 | 7 | 1 | 9 | 3.7 | CCOC(=O)[C@@]12C[C@@H]1[C@@H](n1cnc3c(NC(C4CC4)C4CC4)nc(Cl)nc31)[C@@H]1OC(C)(C)O[C@@H]12 | 10.1021/acs.jmedchem.8b01662 | |||
| CHEMBL4541409 | 173957 | 0 | None | 1 | 2 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 487 | 7 | 1 | 9 | 3.7 | CCOC(=O)[C@@]12C[C@@H]1[C@@H](n1cnc3c(NC(C4CC4)C4CC4)nc(Cl)nc31)[C@@H]1OC(C)(C)O[C@@H]12 | 10.1021/acs.jmedchem.8b01662 | |||
| 168292954 | 192997 | 0 | None | -11 | 6 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 388 | 8 | 4 | 4 | 2.5 | Cc1ccc(CC(C)CNC(=O)/N=C(\N)NCCCc2cnc(N)s2)cc1 | 10.1021/acs.jmedchem.1c00692 | |||
| CHEMBL5202592 | 192997 | 0 | None | -11 | 6 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 388 | 8 | 4 | 4 | 2.5 | Cc1ccc(CC(C)CNC(=O)/N=C(\N)NCCCc2cnc(N)s2)cc1 | 10.1021/acs.jmedchem.1c00692 | |||
| CHEMBL5222660 | 192997 | 0 | None | -11 | 6 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 388 | 8 | 4 | 4 | 2.5 | Cc1ccc(CC(C)CNC(=O)/N=C(\N)NCCCc2cnc(N)s2)cc1 | 10.1021/acs.jmedchem.1c00692 | |||
| 162676676 | 183589 | 0 | None | -323 | 3 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 389 | 8 | 0 | 5 | 4.5 | c1ccc(Oc2ccc(OCCCN3CCN(c4ccncc4)CC3)cc2)cc1 | 10.1016/j.ejmech.2020.113041 | |||
| CHEMBL4800672 | 183589 | 0 | None | -323 | 3 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 389 | 8 | 0 | 5 | 4.5 | c1ccc(Oc2ccc(OCCCN3CCN(c4ccncc4)CC3)cc2)cc1 | 10.1016/j.ejmech.2020.113041 | |||
| CHEMBL5075713 | 215529 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | None | None | None | CC1(C)C(/C=C/C=C/C=C2\c3ccccc3C(C)(C)N2CCCCCC(=O)NCCCCCCCCNC(=O)/N=C(\N)NCCCc2c[nH]cn2)=[N+](CCCCS(=O)(=O)[O-])c2ccccc21 | 10.1016/j.bmcl.2021.128388 | |||||
| CHEMBL5095559 | 215529 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | None | None | None | CC1(C)C(/C=C/C=C/C=C2\c3ccccc3C(C)(C)N2CCCCCC(=O)NCCCCCCCCNC(=O)/N=C(\N)NCCCc2c[nH]cn2)=[N+](CCCCS(=O)(=O)[O-])c2ccccc21 | 10.1016/j.bmcl.2021.128388 | |||||
| 4189 | 206922 | 96 | None | -36 | 34 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 414 | 6 | 0 | 3 | 6.5 | Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1 | nan | |||
| CHEMBL1559 | 206922 | 96 | None | -36 | 34 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 414 | 6 | 0 | 3 | 6.5 | Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1 | nan | |||
| CHEMBL91 | 206922 | 96 | None | -36 | 34 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 414 | 6 | 0 | 3 | 6.5 | Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1 | nan | |||
| 130442572 | 171908 | 0 | None | -144 | 24 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 395 | 3 | 0 | 5 | 6.0 | FC(F)(F)c1cc(Oc2nccc3occc23)ccc1-c1cccc2nccn12 | 10.1021/acs.jmedchem.9b00351 | |||
| CHEMBL4469848 | 171908 | 0 | None | -144 | 24 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 395 | 3 | 0 | 5 | 6.0 | FC(F)(F)c1cc(Oc2nccc3occc23)ccc1-c1cccc2nccn12 | 10.1021/acs.jmedchem.9b00351 | |||
| 181743 | 178572 | 5 | None | -338 | 22 | Human | 6.2 | pKi | = | 6.2 | 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 | -338 | 22 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 339 | 2 | 0 | 5 | 3.2 | COc1cc2c3c(c1OC)-c1cc4c(cc1CC3N(C)CC2)OCO4 | 10.1016/j.bmcl.2009.11.053 | |||
| 168291233 | 192979 | 0 | None | -5 | 4 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 373 | 8 | 4 | 5 | 1.4 | Cc1ccc(CC(C)CNC(=O)/N=C(\N)NCCCc2nnc(N)o2)cc1 | 10.1021/acs.jmedchem.1c00692 | |||
| CHEMBL5200106 | 192979 | 0 | None | -5 | 4 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 373 | 8 | 4 | 5 | 1.4 | Cc1ccc(CC(C)CNC(=O)/N=C(\N)NCCCc2nnc(N)o2)cc1 | 10.1021/acs.jmedchem.1c00692 | |||
| CHEMBL5222556 | 192979 | 0 | None | -5 | 4 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 373 | 8 | 4 | 5 | 1.4 | Cc1ccc(CC(C)CNC(=O)/N=C(\N)NCCCc2nnc(N)o2)cc1 | 10.1021/acs.jmedchem.1c00692 | |||
| 44304031 | 100672 | 0 | None | -933 | 3 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 452 | 10 | 0 | 6 | 4.1 | CCOC(=O)N1CCN(CCCOc2ccc(C(=O)/C=C/c3ccc(OC)cc3)cc2)CC1 | 10.1016/s0960-894x(02)00309-8 | |||
| CHEMBL292275 | 100672 | 0 | None | -933 | 3 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 452 | 10 | 0 | 6 | 4.1 | CCOC(=O)N1CCN(CCCOc2ccc(C(=O)/C=C/c3ccc(OC)cc3)cc2)CC1 | 10.1016/s0960-894x(02)00309-8 | |||
| 18672441 | 95395 | 0 | None | -9332 | 4 | Human | 4.2 | pKi | = | 4.2 | Binding | ChEMBL | 306 | 6 | 0 | 3 | 4.1 | N#Cc1ccc(-c2ccc(OCCCN3CCCC3)cc2)cc1 | 10.1016/s0960-894x(02)00648-0 | |||
| CHEMBL25688 | 95395 | 0 | None | -9332 | 4 | Human | 4.2 | pKi | = | 4.2 | Binding | ChEMBL | 306 | 6 | 0 | 3 | 4.1 | N#Cc1ccc(-c2ccc(OCCCN3CCCC3)cc2)cc1 | 10.1016/s0960-894x(02)00648-0 | |||
| 4601 | 206747 | 35 | None | -7 | 16 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 269 | 6 | 0 | 2 | 3.7 | Cc1ccccc1C(OCCN(C)C)c1ccccc1 | nan | |||
| CHEMBL1201023 | 206747 | 35 | None | -7 | 16 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 269 | 6 | 0 | 2 | 3.7 | Cc1ccccc1C(OCCN(C)C)c1ccccc1 | nan | |||
| CHEMBL900 | 206747 | 35 | None | -7 | 16 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 269 | 6 | 0 | 2 | 3.7 | Cc1ccccc1C(OCCN(C)C)c1ccccc1 | nan | |||
| 162664702 | 182210 | 0 | None | -50 | 3 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 407 | 7 | 0 | 4 | 5.0 | Clc1ccc(-c2ccc(OCCCN3CCN(c4ccncc4)CC3)cc2)cc1 | 10.1016/j.ejmech.2020.113041 | |||
| CHEMBL4783066 | 182210 | 0 | None | -50 | 3 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 407 | 7 | 0 | 4 | 5.0 | Clc1ccc(-c2ccc(OCCCN3CCN(c4ccncc4)CC3)cc2)cc1 | 10.1016/j.ejmech.2020.113041 | |||
| 164611342 | 185088 | 0 | None | -1 | 6 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 346 | 6 | 4 | 4 | 1.8 | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NCc1ccccc1 | 10.1016/j.ejmech.2021.113190 | |||
| CHEMBL4856005 | 185088 | 0 | None | -1 | 6 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 346 | 6 | 4 | 4 | 1.8 | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NCc1ccccc1 | 10.1016/j.ejmech.2021.113190 | |||
| 164618690 | 186156 | 0 | None | 1 | 5 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 360 | 7 | 4 | 4 | 3.4 | CCCCCCNC(=O)/N=C(\N)Nc1cccc(-c2csc(N)n2)c1 | 10.1016/j.ejmech.2021.113190 | |||
| CHEMBL4872375 | 186156 | 0 | None | 1 | 5 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 360 | 7 | 4 | 4 | 3.4 | CCCCCCNC(=O)/N=C(\N)Nc1cccc(-c2csc(N)n2)c1 | 10.1016/j.ejmech.2021.113190 | |||
| 127035835 | 137285 | 0 | None | -4 | 4 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 385 | 4 | 1 | 5 | 3.6 | CN1CCN(c2nc(NCc3ccccc3)nc3c2CCc2ccccc2-3)CC1 | 10.1016/j.bmcl.2015.12.035 | |||
| CHEMBL3752270 | 137285 | 0 | None | -4 | 4 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 385 | 4 | 1 | 5 | 3.6 | CN1CCN(c2nc(NCc3ccccc3)nc3c2CCc2ccccc2-3)CC1 | 10.1016/j.bmcl.2015.12.035 | |||
| 44304079 | 202626 | 0 | None | -9549 | 3 | Human | 4.2 | pKi | = | 4.2 | Binding | ChEMBL | 376 | 9 | 0 | 5 | 3.5 | CCOC(=O)N1CCN(CCCOc2ccc(C(=O)CC(C)C)cc2)CC1 | 10.1016/s0960-894x(02)00309-8 | |||
| CHEMBL61231 | 202626 | 0 | None | -9549 | 3 | Human | 4.2 | pKi | = | 4.2 | Binding | ChEMBL | 376 | 9 | 0 | 5 | 3.5 | CCOC(=O)N1CCN(CCCOc2ccc(C(=O)CC(C)C)cc2)CC1 | 10.1016/s0960-894x(02)00309-8 | |||
| 44335428 | 4984 | 0 | None | -79 | 3 | Human | 4.2 | pKi | = | 4.2 | Binding | ChEMBL | 358 | 7 | 1 | 5 | 2.6 | CCOC(=O)N1CCN(CCCOc2ccc(-c3c[nH]cn3)cc2)CC1 | 10.1016/s0960-894x(02)00648-0 | |||
| CHEMBL104947 | 4984 | 0 | None | -79 | 3 | Human | 4.2 | pKi | = | 4.2 | Binding | ChEMBL | 358 | 7 | 1 | 5 | 2.6 | CCOC(=O)N1CCN(CCCOc2ccc(-c3c[nH]cn3)cc2)CC1 | 10.1016/s0960-894x(02)00648-0 | |||
| 1231 | 937 | 116 | None | -2 | 7 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 252 | 5 | 3 | 4 | 0.6 | N#CNC(=NC)NCCSCc1nc[nH]c1C | 10.1016/j.bmcl.2013.12.024 | |||
| 2756 | 937 | 116 | None | -2 | 7 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 252 | 5 | 3 | 4 | 0.6 | N#CNC(=NC)NCCSCc1nc[nH]c1C | 10.1016/j.bmcl.2013.12.024 | |||
| 645 | 937 | 116 | None | -2 | 7 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 252 | 5 | 3 | 4 | 0.6 | N#CNC(=NC)NCCSCc1nc[nH]c1C | 10.1016/j.bmcl.2013.12.024 | |||
| CHEMBL30 | 937 | 116 | None | -2 | 7 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 252 | 5 | 3 | 4 | 0.6 | N#CNC(=NC)NCCSCc1nc[nH]c1C | 10.1016/j.bmcl.2013.12.024 | |||
| DB00501 | 937 | 116 | None | -2 | 7 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 252 | 5 | 3 | 4 | 0.6 | N#CNC(=NC)NCCSCc1nc[nH]c1C | 10.1016/j.bmcl.2013.12.024 | |||
| 1231 | 937 | 116 | None | -2 | 7 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 252 | 5 | 3 | 4 | 0.6 | N#CNC(=NC)NCCSCc1nc[nH]c1C | 10.1016/j.bmcl.2013.12.024 | |||
| 2756 | 937 | 116 | None | -2 | 7 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 252 | 5 | 3 | 4 | 0.6 | N#CNC(=NC)NCCSCc1nc[nH]c1C | 10.1016/j.bmcl.2013.12.024 | |||
| 645 | 937 | 116 | None | -2 | 7 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 252 | 5 | 3 | 4 | 0.6 | N#CNC(=NC)NCCSCc1nc[nH]c1C | 10.1016/j.bmcl.2013.12.024 | |||
| CHEMBL30 | 937 | 116 | None | -2 | 7 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 252 | 5 | 3 | 4 | 0.6 | N#CNC(=NC)NCCSCc1nc[nH]c1C | 10.1016/j.bmcl.2013.12.024 | |||
| DB00501 | 937 | 116 | None | -2 | 7 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 252 | 5 | 3 | 4 | 0.6 | N#CNC(=NC)NCCSCc1nc[nH]c1C | 10.1016/j.bmcl.2013.12.024 | |||
| 164610892 | 185198 | 0 | None | 1 | 6 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 394 | 8 | 4 | 4 | 3.2 | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NCC(C)CC1CCCCC1 | 10.1016/j.ejmech.2021.113190 | |||
| CHEMBL4857560 | 185198 | 0 | None | 1 | 6 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 394 | 8 | 4 | 4 | 3.2 | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NCC(C)CC1CCCCC1 | 10.1016/j.ejmech.2021.113190 | |||
| 44334407 | 109085 | 0 | None | -229 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 462 | 10 | 1 | 5 | 3.8 | O=C(c1ccc(OCCCN2CC[C@H](NS(=O)(=O)c3cccc(Cl)c3)C2)cc1)C1CC1 | 10.1016/s0960-894x(02)00685-6 | |||
| CHEMBL321320 | 109085 | 0 | None | -229 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 462 | 10 | 1 | 5 | 3.8 | O=C(c1ccc(OCCCN2CC[C@H](NS(=O)(=O)c3cccc(Cl)c3)C2)cc1)C1CC1 | 10.1016/s0960-894x(02)00685-6 | |||
| 44304402 | 201212 | 0 | None | -426 | 3 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 415 | 12 | 0 | 6 | 4.5 | CCCCCC(=O)c1ccc(OCCCN2CCN(Cc3nccs3)CC2)cc1 | 10.1016/s0960-894x(02)00309-8 | |||
| CHEMBL60360 | 201212 | 0 | None | -426 | 3 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 415 | 12 | 0 | 6 | 4.5 | CCCCCC(=O)c1ccc(OCCCN2CCN(Cc3nccs3)CC2)cc1 | 10.1016/s0960-894x(02)00309-8 | |||
| 1258 | 196 | 12 | None | -35481 | 5 | Human | 4.2 | pKi | = | 4.2 | Binding | ChEMBL | 359 | 8 | 1 | 5 | 1.5 | C[C@H](C(=O)N1CCN(CC1)CCCOc1ccc(cc1)C(=O)C1CC1)N | 10.1016/s0960-894x(02)00310-4 | |||
| 9906860 | 196 | 12 | None | -35481 | 5 | Human | 4.2 | pKi | = | 4.2 | Binding | ChEMBL | 359 | 8 | 1 | 5 | 1.5 | C[C@H](C(=O)N1CCN(CC1)CCCOc1ccc(cc1)C(=O)C1CC1)N | 10.1016/s0960-894x(02)00310-4 | |||
| CHEMBL302196 | 196 | 12 | None | -35481 | 5 | Human | 4.2 | pKi | = | 4.2 | Binding | ChEMBL | 359 | 8 | 1 | 5 | 1.5 | C[C@H](C(=O)N1CCN(CC1)CCCOc1ccc(cc1)C(=O)C1CC1)N | 10.1016/s0960-894x(02)00310-4 | |||
| 44334042 | 163489 | 0 | None | -64 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 453 | 10 | 1 | 6 | 3.0 | N#Cc1ccccc1S(=O)(=O)N[C@H]1CCN(CCCOc2ccc(C(=O)C3CC3)cc2)C1 | 10.1016/s0960-894x(02)00685-6 | |||
| CHEMBL420108 | 163489 | 0 | None | -64 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 453 | 10 | 1 | 6 | 3.0 | N#Cc1ccccc1S(=O)(=O)N[C@H]1CCN(CCCOc2ccc(C(=O)C3CC3)cc2)C1 | 10.1016/s0960-894x(02)00685-6 | |||
| 44334234 | 109679 | 0 | None | -707 | 3 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 432 | 10 | 1 | 7 | 1.8 | Cn1cnc(S(=O)(=O)N[C@H]2CCN(CCCOc3ccc(C(=O)C4CC4)cc3)C2)c1 | 10.1016/s0960-894x(02)00685-6 | |||
| CHEMBL322678 | 109679 | 0 | None | -707 | 3 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 432 | 10 | 1 | 7 | 1.8 | Cn1cnc(S(=O)(=O)N[C@H]2CCN(CCCOc3ccc(C(=O)C4CC4)cc3)C2)c1 | 10.1016/s0960-894x(02)00685-6 | |||
| 180 | 401 | 56 | None | -1412 | 40 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | nan | |||
| 200 | 401 | 56 | None | -1412 | 40 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | nan | |||
| 2160 | 401 | 56 | None | -1412 | 40 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | nan | |||
| CHEMBL629 | 401 | 56 | None | -1412 | 40 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | nan | |||
| DB00321 | 401 | 56 | None | -1412 | 40 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | nan | |||
| 164611757 | 184903 | 0 | None | 1 | 6 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 402 | 8 | 4 | 4 | 2.8 | Cc1ccc(CC(C)CNC(=O)/N=C(\N)NCCCc2sc(N)nc2C)cc1 | 10.1016/j.ejmech.2021.113190 | |||
| CHEMBL4853107 | 184903 | 0 | None | 1 | 6 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 402 | 8 | 4 | 4 | 2.8 | Cc1ccc(CC(C)CNC(=O)/N=C(\N)NCCCc2sc(N)nc2C)cc1 | 10.1016/j.ejmech.2021.113190 | |||
| 44304003 | 203134 | 0 | None | -2511 | 3 | Human | 4.1 | pKi | = | 4.1 | Binding | ChEMBL | 384 | 9 | 1 | 6 | 1.4 | N#CC[C@@H](N)C(=O)N1CCN(CCCOc2ccc(C(=O)C3CC3)cc2)CC1 | 10.1016/s0960-894x(02)00310-4 | |||
| CHEMBL64124 | 203134 | 0 | None | -2511 | 3 | Human | 4.1 | pKi | = | 4.1 | Binding | ChEMBL | 384 | 9 | 1 | 6 | 1.4 | N#CC[C@@H](N)C(=O)N1CCN(CCCOc2ccc(C(=O)C3CC3)cc2)CC1 | 10.1016/s0960-894x(02)00310-4 | |||
| 127052294 | 140302 | 0 | None | -33 | 4 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 368 | 7 | 3 | 4 | 3.1 | N#C/N=C(/NCCSc1ccccc1)NC[C@@H]1CC[C@H](c2c[nH]cn2)C1 | 10.1021/acs.jmedchem.6b00120 | |||
| CHEMBL3806079 | 140302 | 0 | None | -33 | 4 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 368 | 7 | 3 | 4 | 3.1 | N#C/N=C(/NCCSc1ccccc1)NC[C@@H]1CC[C@H](c2c[nH]cn2)C1 | 10.1021/acs.jmedchem.6b00120 | |||
| 71463063 | 83801 | 0 | None | -11 | 8 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 295 | 3 | 1 | 3 | 2.0 | COc1ccc(CN2C3C4C5CC6C7C5C3C7C2(O)C64)cc1 | 10.1016/j.bmcl.2012.08.046 | |||
| CHEMBL2205825 | 83801 | 0 | None | -11 | 8 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 295 | 3 | 1 | 3 | 2.0 | COc1ccc(CN2C3C4C5CC6C7C5C3C7C2(O)C64)cc1 | 10.1016/j.bmcl.2012.08.046 | |||
| 44334369 | 5014 | 0 | None | -138 | 3 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 484 | 10 | 1 | 5 | 4.4 | CC(C)(C)c1ccc(S(=O)(=O)N[C@H]2CCN(CCCOc3ccc(C(=O)C4CC4)cc3)C2)cc1 | 10.1016/s0960-894x(02)00685-6 | |||
| CHEMBL105071 | 5014 | 0 | None | -138 | 3 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 484 | 10 | 1 | 5 | 4.4 | CC(C)(C)c1ccc(S(=O)(=O)N[C@H]2CCN(CCCOc3ccc(C(=O)C4CC4)cc3)C2)cc1 | 10.1016/s0960-894x(02)00685-6 | |||
| 127049856 | 140245 | 0 | None | -25 | 4 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 368 | 7 | 3 | 4 | 3.1 | N#C/N=C(/NCCSc1ccccc1)NC[C@H]1CC[C@@H](c2c[nH]cn2)C1 | 10.1021/acs.jmedchem.6b00120 | |||
| CHEMBL3805431 | 140245 | 0 | None | -25 | 4 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 368 | 7 | 3 | 4 | 3.1 | N#C/N=C(/NCCSc1ccccc1)NC[C@H]1CC[C@@H](c2c[nH]cn2)C1 | 10.1021/acs.jmedchem.6b00120 | |||
| 9923147 | 5049 | 0 | None | -1202 | 4 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 321 | 6 | 1 | 4 | 3.0 | N#Cc1ccc(-c2ccc(OCCCN3CC[C@@H](N)C3)cc2)cc1 | 10.1016/s0960-894x(02)00648-0 | |||
| CHEMBL105267 | 5049 | 0 | None | -1202 | 4 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 321 | 6 | 1 | 4 | 3.0 | N#Cc1ccc(-c2ccc(OCCCN3CC[C@@H](N)C3)cc2)cc1 | 10.1016/s0960-894x(02)00648-0 | |||
| 71463061 | 83795 | 0 | None | 1 | 9 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 339 | 5 | 1 | 4 | 2.0 | COc1cccc(CCN2C3C4C5CC6C7C5C3C7C2(O)C64)c1OC | 10.1016/j.bmcl.2012.08.046 | |||
| CHEMBL2205813 | 83795 | 0 | None | 1 | 9 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 339 | 5 | 1 | 4 | 2.0 | COc1cccc(CCN2C3C4C5CC6C7C5C3C7C2(O)C64)c1OC | 10.1016/j.bmcl.2012.08.046 | |||
| 162662563 | 182046 | 0 | None | -123 | 3 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 391 | 7 | 0 | 4 | 4.5 | Fc1ccc(-c2ccc(OCCCN3CCN(c4ccncc4)CC3)cc2)cc1 | 10.1016/j.ejmech.2020.113041 | |||
| CHEMBL4781093 | 182046 | 0 | None | -123 | 3 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 391 | 7 | 0 | 4 | 4.5 | Fc1ccc(-c2ccc(OCCCN3CCN(c4ccncc4)CC3)cc2)cc1 | 10.1016/j.ejmech.2020.113041 | |||
| 44435200 | 149675 | 0 | None | -4 | 4 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 345 | 4 | 0 | 2 | 5.8 | O=C(CCCc1ccccc1)N1c2ccccc2Sc2ccccc21 | 10.1016/j.bmcl.2013.04.082 | |||
| CHEMBL394755 | 149675 | 0 | None | -4 | 4 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 345 | 4 | 0 | 2 | 5.8 | O=C(CCCc1ccccc1)N1c2ccccc2Sc2ccccc21 | 10.1016/j.bmcl.2013.04.082 | |||
| 44335389 | 5167 | 0 | None | -46 | 3 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 413 | 8 | 0 | 6 | 3.8 | CCOC(=O)N1CCN(CCCOc2ccc(-c3ccccc3[N+](=O)[O-])cc2)CC1 | 10.1016/s0960-894x(02)00648-0 | |||
| CHEMBL105952 | 5167 | 0 | None | -46 | 3 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 413 | 8 | 0 | 6 | 3.8 | CCOC(=O)N1CCN(CCCOc2ccc(-c3ccccc3[N+](=O)[O-])cc2)CC1 | 10.1016/s0960-894x(02)00648-0 | |||
| 44304243 | 203199 | 0 | None | -562 | 3 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 374 | 13 | 0 | 4 | 4.6 | CCCCCC(=O)c1ccc(OCCCN2CCN(CCCC)CC2)cc1 | 10.1016/s0960-894x(02)00309-8 | |||
| CHEMBL64334 | 203199 | 0 | None | -562 | 3 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 374 | 13 | 0 | 4 | 4.6 | CCCCCC(=O)c1ccc(OCCCN2CCN(CCCC)CC2)cc1 | 10.1016/s0960-894x(02)00309-8 | |||
| 156015041 | 178233 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 1029 | 30 | 3 | 11 | 10.0 | CC1(C)C(/C=C/C=C/C=C2\N(CCCCCC(=O)NCCCCCCNc3c(NCCCOc4cccc(CN5CCCCC5)c4)c(=O)c3=O)c3ccccc3C2(C)C)=[N+](CCCCS(=O)(=O)[O-])c2ccccc21 | 10.1021/acsmedchemlett.0c00033 | |||
| CHEMBL4637356 | 178233 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 1029 | 30 | 3 | 11 | 10.0 | CC1(C)C(/C=C/C=C/C=C2\N(CCCCCC(=O)NCCCCCCNc3c(NCCCOc4cccc(CN5CCCCC5)c4)c(=O)c3=O)c3ccccc3C2(C)C)=[N+](CCCCS(=O)(=O)[O-])c2ccccc21 | 10.1021/acsmedchemlett.0c00033 | |||
| CHEMBL4650547 | 178233 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 1029 | 30 | 3 | 11 | 10.0 | CC1(C)C(/C=C/C=C/C=C2\N(CCCCCC(=O)NCCCCCCNc3c(NCCCOc4cccc(CN5CCCCC5)c4)c(=O)c3=O)c3ccccc3C2(C)C)=[N+](CCCCS(=O)(=O)[O-])c2ccccc21 | 10.1021/acsmedchemlett.0c00033 | |||
| 164617783 | 184590 | 0 | None | -1 | 6 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 388 | 8 | 4 | 4 | 2.8 | CCC(CNC(=O)/N=C(\N)NCCCc1sc(N)nc1C)c1ccccc1 | 10.1016/j.ejmech.2021.113190 | |||
| CHEMBL4848815 | 184590 | 0 | None | -1 | 6 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 388 | 8 | 4 | 4 | 2.8 | CCC(CNC(=O)/N=C(\N)NCCCc1sc(N)nc1C)c1ccccc1 | 10.1016/j.ejmech.2021.113190 | |||
| 11393516 | 5172 | 0 | None | -933 | 4 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 335 | 6 | 1 | 4 | 3.3 | N#Cc1ccc(-c2ccc(OCCCN3CCCNCC3)cc2)cc1 | 10.1016/s0960-894x(02)00648-0 | |||
| CHEMBL105967 | 5172 | 0 | None | -933 | 4 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 335 | 6 | 1 | 4 | 3.3 | N#Cc1ccc(-c2ccc(OCCCN3CCCNCC3)cc2)cc1 | 10.1016/s0960-894x(02)00648-0 | |||
| 75306277 | 109254 | 0 | None | -39 | 23 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 308 | 0 | 0 | 3 | 4.2 | CN1CCC2C(C1)c1cccc3c1N2c1ccccc1CS3 | 10.1039/C2MD00311B | |||
| CHEMBL3217984 | 109254 | 0 | None | -39 | 23 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 308 | 0 | 0 | 3 | 4.2 | CN1CCC2C(C1)c1cccc3c1N2c1ccccc1CS3 | 10.1039/C2MD00311B | |||
| 44304088 | 202387 | 0 | None | -316 | 3 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 402 | 8 | 0 | 5 | 4.0 | CCOC(=O)N1CCN(CCCOc2ccc(C(=O)C3CCCCC3)cc2)CC1 | 10.1016/s0960-894x(02)00309-8 | |||
| CHEMBL61070 | 202387 | 0 | None | -316 | 3 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 402 | 8 | 0 | 5 | 4.0 | CCOC(=O)N1CCN(CCCOc2ccc(C(=O)C3CCCCC3)cc2)CC1 | 10.1016/s0960-894x(02)00309-8 | |||
| 1269 | 121 | 41 | None | -269 | 3 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 125 | 2 | 2 | 2 | 0.2 | Cc1c(CCN)nc[nH]1 | 10.1016/j.bmcl.2010.10.041 | |||
| 37463 | 121 | 41 | None | -269 | 3 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 125 | 2 | 2 | 2 | 0.2 | Cc1c(CCN)nc[nH]1 | 10.1016/j.bmcl.2010.10.041 | |||
| CHEMBL275443 | 121 | 41 | None | -269 | 3 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 125 | 2 | 2 | 2 | 0.2 | Cc1c(CCN)nc[nH]1 | 10.1016/j.bmcl.2010.10.041 | |||
| 44304090 | 202950 | 0 | None | -16982 | 3 | Human | 4.1 | pKi | = | 4.1 | Binding | ChEMBL | 360 | 8 | 0 | 5 | 2.8 | CCOC(=O)N1CCN(CCCOc2ccc(C(=O)C3CC3)cc2)CC1 | 10.1016/s0960-894x(02)00309-8 | |||
| CHEMBL62948 | 202950 | 0 | None | -16982 | 3 | Human | 4.1 | pKi | = | 4.1 | Binding | ChEMBL | 360 | 8 | 0 | 5 | 2.8 | CCOC(=O)N1CCN(CCCOc2ccc(C(=O)C3CC3)cc2)CC1 | 10.1016/s0960-894x(02)00309-8 | |||
| 44304067 | 201283 | 0 | None | -34673 | 3 | Human | 4.1 | pKi | = | 4.1 | Binding | ChEMBL | 359 | 9 | 1 | 5 | 1.4 | CNCC(=O)N1CCN(CCCOc2ccc(C(=O)C3CC3)cc2)CC1 | 10.1016/s0960-894x(02)00310-4 | |||
| CHEMBL60401 | 201283 | 0 | None | -34673 | 3 | Human | 4.1 | pKi | = | 4.1 | Binding | ChEMBL | 359 | 9 | 1 | 5 | 1.4 | CNCC(=O)N1CCN(CCCOc2ccc(C(=O)C3CC3)cc2)CC1 | 10.1016/s0960-894x(02)00310-4 | |||
| 168281746 | 192882 | 0 | None | -676 | 6 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 365 | 6 | 4 | 5 | 1.6 | CC(NC(=O)/N=C(\N)NCCCc1nnc(N)s1)c1cccc(F)c1 | 10.1021/acs.jmedchem.1c00692 | |||
| CHEMBL5184911 | 192882 | 0 | None | -676 | 6 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 365 | 6 | 4 | 5 | 1.6 | CC(NC(=O)/N=C(\N)NCCCc1nnc(N)s1)c1cccc(F)c1 | 10.1021/acs.jmedchem.1c00692 | |||
| CHEMBL5221974 | 192882 | 0 | None | -676 | 6 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 365 | 6 | 4 | 5 | 1.6 | CC(NC(=O)/N=C(\N)NCCCc1nnc(N)s1)c1cccc(F)c1 | 10.1021/acs.jmedchem.1c00692 | |||
| 75201901 | 166425 | 19 | None | -588 | 24 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 356 | 3 | 0 | 6 | 4.9 | Cc1cc(Oc2nccc3occc23)ccc1-c1c(C)ncc2nccn12 | 10.1021/acs.jmedchem.9b00351 | |||
| CHEMBL4277264 | 166425 | 19 | None | -588 | 24 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 356 | 3 | 0 | 6 | 4.9 | Cc1cc(Oc2nccc3occc23)ccc1-c1c(C)ncc2nccn12 | 10.1021/acs.jmedchem.9b00351 | |||
| CHEMBL4448899 | 213936 | 50 | None | - | 1 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | None | None | None | Cc1c(NC(=O)c2cc(C(N)=O)nc3cc(F)ccc23)c(C(F)(F)F)nn1Cc1ccc(C#N)cc1 | 10.6019/CHEMBL5212743 | |||||
| 21509921 | 104458 | 0 | None | -7 | 24 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 288 | 0 | 0 | 2 | 3.7 | CN1CCc2c(c3cccc4c3n2-c2ccccc2CC4)C1 | 10.1016/j.bmcl.2013.12.024 | |||
| CHEMBL3104091 | 104458 | 0 | None | -7 | 24 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 288 | 0 | 0 | 2 | 3.7 | CN1CCc2c(c3cccc4c3n2-c2ccccc2CC4)C1 | 10.1016/j.bmcl.2013.12.024 | |||
| 21509921 | 104458 | 0 | None | -7 | 24 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 288 | 0 | 0 | 2 | 3.7 | CN1CCc2c(c3cccc4c3n2-c2ccccc2CC4)C1 | 10.1016/j.bmcl.2013.12.024 | |||
| CHEMBL3104091 | 104458 | 0 | None | -7 | 24 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 288 | 0 | 0 | 2 | 3.7 | CN1CCc2c(c3cccc4c3n2-c2ccccc2CC4)C1 | 10.1016/j.bmcl.2013.12.024 | |||
| 44304270 | 201248 | 0 | None | -512 | 3 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 442 | 11 | 0 | 5 | 5.0 | CCCCCC(=O)c1ccc(OCCCN2CCN(C(=O)c3ccc(C)s3)CC2)cc1 | 10.1016/s0960-894x(02)00309-8 | |||
| CHEMBL60383 | 201248 | 0 | None | -512 | 3 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 442 | 11 | 0 | 5 | 5.0 | CCCCCC(=O)c1ccc(OCCCN2CCN(C(=O)c3ccc(C)s3)CC2)cc1 | 10.1016/s0960-894x(02)00309-8 | |||
| 130442480 | 175270 | 0 | None | -100 | 24 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 410 | 3 | 0 | 6 | 5.7 | Cc1ncc2nccn2c1-c1ccc(Oc2nccc3occc23)cc1C(F)(F)F | 10.1021/acs.jmedchem.9b00351 | |||
| CHEMBL4572614 | 175270 | 0 | None | -100 | 24 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 410 | 3 | 0 | 6 | 5.7 | Cc1ncc2nccn2c1-c1ccc(Oc2nccc3occc23)cc1C(F)(F)F | 10.1021/acs.jmedchem.9b00351 | |||
| 1210 | 918 | 51 | None | -446 | 21 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CC[C@H](c1ccccn1)c1ccc(cc1)Cl)C | nan | |||
| 1213 | 918 | 51 | None | -446 | 21 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CC[C@H](c1ccccn1)c1ccc(cc1)Cl)C | nan | |||
| 2725 | 918 | 51 | None | -446 | 21 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CC[C@H](c1ccccn1)c1ccc(cc1)Cl)C | nan | |||
| 33036 | 918 | 51 | None | -446 | 21 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CC[C@H](c1ccccn1)c1ccc(cc1)Cl)C | nan | |||
| 4411 | 918 | 51 | None | -446 | 21 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CC[C@H](c1ccccn1)c1ccc(cc1)Cl)C | nan | |||
| 616 | 918 | 51 | None | -446 | 21 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CC[C@H](c1ccccn1)c1ccc(cc1)Cl)C | nan | |||
| 6976 | 918 | 51 | None | -446 | 21 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CC[C@H](c1ccccn1)c1ccc(cc1)Cl)C | nan | |||
| 716121 | 918 | 51 | None | -446 | 21 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CC[C@H](c1ccccn1)c1ccc(cc1)Cl)C | nan | |||
| CHEMBL1201353 | 918 | 51 | None | -446 | 21 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CC[C@H](c1ccccn1)c1ccc(cc1)Cl)C | nan | |||
| CHEMBL1554789 | 918 | 51 | None | -446 | 21 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CC[C@H](c1ccccn1)c1ccc(cc1)Cl)C | nan | |||
| CHEMBL505 | 918 | 51 | None | -446 | 21 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CC[C@H](c1ccccn1)c1ccc(cc1)Cl)C | nan | |||
| DB01114 | 918 | 51 | None | -446 | 21 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CC[C@H](c1ccccn1)c1ccc(cc1)Cl)C | nan | |||
| DB13679 | 918 | 51 | None | -446 | 21 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CC[C@H](c1ccccn1)c1ccc(cc1)Cl)C | nan | |||
| 155539605 | 172845 | 0 | None | -3 | 6 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 313 | 1 | 0 | 4 | 2.1 | CC1=NC2(CCN(C)CC2)C(=O)N(c2c(C)cccc2C)C1=O | 10.1016/j.ejmech.2018.12.048 | |||
| CHEMBL4514672 | 172845 | 0 | None | -3 | 6 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 313 | 1 | 0 | 4 | 2.1 | CC1=NC2(CCN(C)CC2)C(=O)N(c2c(C)cccc2C)C1=O | 10.1016/j.ejmech.2018.12.048 | |||
| 44582705 | 186996 | 0 | None | -5 | 13 | Human | 6.1 | pKi | = | 6.1 | 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 | -5 | 13 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 399 | 9 | 0 | 4 | 4.5 | COc1c(OCCF)cccc1C(=O)C1CCN(CCc2ccc(C)cc2)CC1 | 10.1016/j.bmc.2009.03.021 | |||
| 145973771 | 164719 | 0 | None | 2 | 7 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 797 | 16 | 2 | 7 | 10.8 | CC(C)(C)OC(=O)NCCCCCCn1cc(CCCCN2CCC(c3ccc(-c4cc(C(=O)O)cc5cc(-c6ccc(C(F)(F)F)cc6)ccc45)cc3)CC2)nn1 | 10.1021/acs.jmedchem.8b00168 | |||
| CHEMBL4217398 | 164719 | 0 | None | 2 | 7 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 797 | 16 | 2 | 7 | 10.8 | CC(C)(C)OC(=O)NCCCCCCn1cc(CCCCN2CCC(c3ccc(-c4cc(C(=O)O)cc5cc(-c6ccc(C(F)(F)F)cc6)ccc45)cc3)CC2)nn1 | 10.1021/acs.jmedchem.8b00168 | |||
| 44335412 | 107459 | 0 | None | -102 | 3 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 413 | 8 | 0 | 6 | 3.8 | CCOC(=O)N1CCN(CCCOc2ccc(-c3ccc([N+](=O)[O-])cc3)cc2)CC1 | 10.1016/s0960-894x(02)00648-0 | |||
| CHEMBL318320 | 107459 | 0 | None | -102 | 3 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 413 | 8 | 0 | 6 | 3.8 | CCOC(=O)N1CCN(CCCOc2ccc(-c3ccc([N+](=O)[O-])cc3)cc2)CC1 | 10.1016/s0960-894x(02)00648-0 | |||
| 44304284 | 163279 | 0 | None | -208 | 3 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 426 | 9 | 0 | 6 | 3.5 | CCOC(=O)N1CCN(CCCOc2ccc(C(=O)c3ccc(OC)cc3)cc2)CC1 | 10.1016/s0960-894x(02)00309-8 | |||
| CHEMBL418691 | 163279 | 0 | None | -208 | 3 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 426 | 9 | 0 | 6 | 3.5 | CCOC(=O)N1CCN(CCCOc2ccc(C(=O)c3ccc(OC)cc3)cc2)CC1 | 10.1016/s0960-894x(02)00309-8 | |||
| 44304978 | 167889 | 0 | None | -3890 | 3 | Human | 4.1 | pKi | = | 4.1 | Binding | ChEMBL | 396 | 11 | 0 | 5 | 2.8 | CCCCCC(=O)c1ccc(OCCCN2CCN(S(C)(=O)=O)CC2)cc1 | 10.1016/s0960-894x(02)00309-8 | |||
| CHEMBL431172 | 167889 | 0 | None | -3890 | 3 | Human | 4.1 | pKi | = | 4.1 | Binding | ChEMBL | 396 | 11 | 0 | 5 | 2.8 | CCCCCC(=O)c1ccc(OCCCN2CCN(S(C)(=O)=O)CC2)cc1 | 10.1016/s0960-894x(02)00309-8 | |||
| 44304752 | 203212 | 0 | None | -39810 | 3 | Human | 4.1 | pKi | = | 4.1 | Binding | ChEMBL | 459 | 9 | 1 | 6 | 3.1 | C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(CCCOc2ccc(C(=O)C3CC3)cc2)CC1 | 10.1016/s0960-894x(02)00310-4 | |||
| CHEMBL64406 | 203212 | 0 | None | -39810 | 3 | Human | 4.1 | pKi | = | 4.1 | Binding | ChEMBL | 459 | 9 | 1 | 6 | 3.1 | C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(CCCOc2ccc(C(=O)C3CC3)cc2)CC1 | 10.1016/s0960-894x(02)00310-4 | |||
| 11496610 | 4075 | 13 | None | -2 | 2 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 476 | 4 | 1 | 5 | 5.8 | CC(c1ccc(cc1)c1[nH]c2c(n1)cccc2N1CCN(CC1)Cc1ccc2c(c1)nccn2)(C)C | 10.1021/jm801572m | |||
| 5582 | 4075 | 13 | None | -2 | 2 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 476 | 4 | 1 | 5 | 5.8 | CC(c1ccc(cc1)c1[nH]c2c(n1)cccc2N1CCN(CC1)Cc1ccc2c(c1)nccn2)(C)C | 10.1021/jm801572m | |||
| CHEMBL474991 | 4075 | 13 | None | -2 | 2 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 476 | 4 | 1 | 5 | 5.8 | CC(c1ccc(cc1)c1[nH]c2c(n1)cccc2N1CCN(CC1)Cc1ccc2c(c1)nccn2)(C)C | 10.1021/jm801572m | |||
| 73355421 | 92552 | 0 | None | - | 1 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 309 | 3 | 0 | 3 | 3.0 | CN(Cc1ccc2c(c1)OCO2)[C@H]1C2C3CC4C5C3CC2C5C41 | 10.1016/j.bmc.2013.07.045 | |||
| CHEMBL2432062 | 92552 | 0 | None | - | 1 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 309 | 3 | 0 | 3 | 3.0 | CN(Cc1ccc2c(c1)OCO2)[C@H]1C2C3CC4C5C3CC2C5C41 | 10.1016/j.bmc.2013.07.045 | |||
| 164620139 | 185788 | 0 | None | 56 | 4 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 436 | 8 | 4 | 4 | 3.4 | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NCC(c1ccccc1)c1ccccc1 | 10.1016/j.ejmech.2021.113190 | |||
| CHEMBL4866734 | 185788 | 0 | None | 56 | 4 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 436 | 8 | 4 | 4 | 3.4 | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NCC(c1ccccc1)c1ccccc1 | 10.1016/j.ejmech.2021.113190 | |||
| 11846300 | 80266 | 3 | None | -1071 | 4 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 327 | 0 | 0 | 4 | 3.8 | CN1CCN(C2=Nc3ccc(Cl)cc3Oc3ccccc32)CC1 | 10.1021/jm051008s | |||
| CHEMBL213912 | 80266 | 3 | None | -1071 | 4 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 327 | 0 | 0 | 4 | 3.8 | CN1CCN(C2=Nc3ccc(Cl)cc3Oc3ccccc32)CC1 | 10.1021/jm051008s | |||
| 137646281 | 157806 | 0 | None | -1995 | 17 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 423 | 8 | 0 | 7 | 3.8 | COc1ccccc1N1CCN(CCCSc2nnc(-c3ccccc3)n2C)CC1 | 10.1021/acs.jmedchem.9b00412 | |||
| CHEMBL4083252 | 157806 | 0 | None | -1995 | 17 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 423 | 8 | 0 | 7 | 3.8 | COc1ccccc1N1CCN(CCCSc2nnc(-c3ccccc3)n2C)CC1 | 10.1021/acs.jmedchem.9b00412 | |||
| 657255 | 199084 | 34 | None | -3 | 15 | Human | 7.1 | pKi | = | 7.1 | 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 | -3 | 15 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 337 | 12 | 2 | 3 | 5.6 | CCCCCCCCN[C@H](C)[C@@H](O)c1ccc(SC(C)C)cc1 | nan | |||
| 1234 | 3291 | 68 | None | -2 | 6 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 314 | 10 | 2 | 7 | 1.5 | CN/C(=C\[N+](=O)[O-])/NCCSCc1ccc(o1)CN(C)C | 10.1021/acs.jmedchem.0c01901 | |||
| 3001055 | 3291 | 68 | None | -2 | 6 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 314 | 10 | 2 | 7 | 1.5 | CN/C(=C\[N+](=O)[O-])/NCCSCc1ccc(o1)CN(C)C | 10.1021/acs.jmedchem.0c01901 | |||
| CHEMBL512 | 3291 | 68 | None | -2 | 6 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 314 | 10 | 2 | 7 | 1.5 | CN/C(=C\[N+](=O)[O-])/NCCSCc1ccc(o1)CN(C)C | 10.1021/acs.jmedchem.0c01901 | |||
| DB00863 | 3291 | 68 | None | -2 | 6 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 314 | 10 | 2 | 7 | 1.5 | CN/C(=C\[N+](=O)[O-])/NCCSCc1ccc(o1)CN(C)C | 10.1021/acs.jmedchem.0c01901 | |||
| 44304439 | 102798 | 0 | None | -891 | 3 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 436 | 12 | 0 | 4 | 4.6 | CCCCCC(=O)c1ccc(OCCCN2CCN(C(=O)Cc3ccccc3)CC2)cc1 | 10.1016/s0960-894x(02)00309-8 | |||
| CHEMBL305338 | 102798 | 0 | None | -891 | 3 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 436 | 12 | 0 | 4 | 4.6 | CCCCCC(=O)c1ccc(OCCCN2CCN(C(=O)Cc3ccccc3)CC2)cc1 | 10.1016/s0960-894x(02)00309-8 | |||
| 44304332 | 201344 | 0 | None | -19054 | 3 | Human | 4.1 | pKi | = | 4.1 | Binding | ChEMBL | 399 | 9 | 1 | 5 | 2.3 | O=C(c1ccc(OCCCN2CCN(C(=O)C[C@H]3CCCN3)CC2)cc1)C1CC1 | 10.1016/s0960-894x(02)00310-4 | |||
| CHEMBL60435 | 201344 | 0 | None | -19054 | 3 | Human | 4.1 | pKi | = | 4.1 | Binding | ChEMBL | 399 | 9 | 1 | 5 | 2.3 | O=C(c1ccc(OCCCN2CCN(C(=O)C[C@H]3CCCN3)CC2)cc1)C1CC1 | 10.1016/s0960-894x(02)00310-4 | |||
| 44304719 | 202722 | 0 | None | -19498 | 3 | Human | 4.1 | pKi | = | 4.1 | Binding | ChEMBL | 425 | 10 | 2 | 6 | 1.5 | N[C@H](Cc1c[nH]cn1)C(=O)N1CCN(CCCOc2ccc(C(=O)C3CC3)cc2)CC1 | 10.1016/s0960-894x(02)00310-4 | |||
| CHEMBL61792 | 202722 | 0 | None | -19498 | 3 | Human | 4.1 | pKi | = | 4.1 | Binding | ChEMBL | 425 | 10 | 2 | 6 | 1.5 | N[C@H](Cc1c[nH]cn1)C(=O)N1CCN(CCCOc2ccc(C(=O)C3CC3)cc2)CC1 | 10.1016/s0960-894x(02)00310-4 | |||
| 44334038 | 4462 | 0 | None | -316 | 3 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 453 | 10 | 1 | 6 | 3.0 | N#Cc1cccc(S(=O)(=O)N[C@H]2CCN(CCCOc3ccc(C(=O)C4CC4)cc3)C2)c1 | 10.1016/s0960-894x(02)00685-6 | |||
| CHEMBL101748 | 4462 | 0 | None | -316 | 3 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 453 | 10 | 1 | 6 | 3.0 | N#Cc1cccc(S(=O)(=O)N[C@H]2CCN(CCCOc3ccc(C(=O)C4CC4)cc3)C2)c1 | 10.1016/s0960-894x(02)00685-6 | |||
| 10472082 | 5141 | 0 | None | -13489 | 4 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 334 | 6 | 0 | 3 | 4.9 | C[C@@H]1CC[C@@H](C)N1CCCOc1ccc(-c2ccc(C#N)cc2)cc1 | 10.1016/s0960-894x(02)00648-0 | |||
| CHEMBL105762 | 5141 | 0 | None | -13489 | 4 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 334 | 6 | 0 | 3 | 4.9 | C[C@@H]1CC[C@@H](C)N1CCCOc1ccc(-c2ccc(C#N)cc2)cc1 | 10.1016/s0960-894x(02)00648-0 | |||
| 44335558 | 110070 | 0 | None | -933 | 4 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 334 | 6 | 0 | 3 | 4.7 | CC1CCN(CCCOc2ccc(-c3ccc(C#N)cc3)cc2)CC1 | 10.1016/s0960-894x(02)00648-0 | |||
| CHEMBL323562 | 110070 | 0 | None | -933 | 4 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 334 | 6 | 0 | 3 | 4.7 | CC1CCN(CCCOc2ccc(-c3ccc(C#N)cc3)cc2)CC1 | 10.1016/s0960-894x(02)00648-0 | |||
| 56963799 | 74895 | 0 | None | -2290 | 10 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 378 | 6 | 0 | 5 | 4.6 | C[C@@H]1CCCN1CCc1cc2cc(C(=O)c3ccc([N+](=O)[O-])cc3)ccc2o1 | 10.1021/jm201690h | |||
| CHEMBL2031737 | 74895 | 0 | None | -2290 | 10 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 378 | 6 | 0 | 5 | 4.6 | C[C@@H]1CCCN1CCc1cc2cc(C(=O)c3ccc([N+](=O)[O-])cc3)ccc2o1 | 10.1021/jm201690h | |||
| 1016 | 3747 | 78 | None | -41 | 35 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 371 | 8 | 0 | 2 | 6.0 | CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1 | nan | |||
| 2561 | 3747 | 78 | None | -41 | 35 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 371 | 8 | 0 | 2 | 6.0 | CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1 | nan | |||
| 2733526 | 3747 | 78 | None | -41 | 35 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 371 | 8 | 0 | 2 | 6.0 | CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1 | nan | |||
| 5384 | 3747 | 78 | None | -41 | 35 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 371 | 8 | 0 | 2 | 6.0 | CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1 | nan | |||
| CHEMBL83 | 3747 | 78 | None | -41 | 35 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 371 | 8 | 0 | 2 | 6.0 | CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1 | nan | |||
| DB00675 | 3747 | 78 | None | -41 | 35 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 371 | 8 | 0 | 2 | 6.0 | CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1 | nan | |||
| 73213196 | 104460 | 4 | None | -8 | 13 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 288 | 0 | 0 | 2 | 3.9 | CN1CCc2c(c3cccc4c3n2CCc2ccccc2-4)C1 | 10.1016/j.bmcl.2013.12.024 | |||
| CHEMBL3104093 | 104460 | 4 | None | -8 | 13 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 288 | 0 | 0 | 2 | 3.9 | CN1CCc2c(c3cccc4c3n2CCc2ccccc2-4)C1 | 10.1016/j.bmcl.2013.12.024 | |||
| 100 | 3805 | 58 | None | -46 | 55 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | nan | |||
| 2637 | 3805 | 58 | None | -46 | 55 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | nan | |||
| 5452 | 3805 | 58 | None | -46 | 55 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | nan | |||
| CHEMBL479 | 3805 | 58 | None | -46 | 55 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | nan | |||
| DB00679 | 3805 | 58 | None | -46 | 55 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | nan | |||
| 73213196 | 104460 | 4 | None | -8 | 13 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 288 | 0 | 0 | 2 | 3.9 | CN1CCc2c(c3cccc4c3n2CCc2ccccc2-4)C1 | 10.1016/j.bmcl.2013.12.024 | |||
| CHEMBL3104093 | 104460 | 4 | None | -8 | 13 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 288 | 0 | 0 | 2 | 3.9 | CN1CCc2c(c3cccc4c3n2CCc2ccccc2-4)C1 | 10.1016/j.bmcl.2013.12.024 | |||
| 162657344 | 180932 | 0 | None | -1096 | 3 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 388 | 8 | 1 | 5 | 4.4 | c1ccc(Nc2ccc(OCCCN3CCN(c4ccncc4)CC3)cc2)cc1 | 10.1016/j.ejmech.2020.113041 | |||
| CHEMBL4758080 | 180932 | 0 | None | -1096 | 3 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 388 | 8 | 1 | 5 | 4.4 | c1ccc(Nc2ccc(OCCCN3CCN(c4ccncc4)CC3)cc2)cc1 | 10.1016/j.ejmech.2020.113041 | |||
| 71459604 | 83793 | 0 | None | -1 | 14 | Human | 6.0 | pKi | = | 6.0 | 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 | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 309 | 4 | 1 | 3 | 2.0 | COc1cccc(CCN2C3C4C5CC6C7C5C3C7C2(O)C64)c1 | 10.1016/j.bmcl.2012.08.046 | |||
| CHEMBL5088914 | 215562 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | None | None | None | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NCCCCCCCCCCNC(=O)CCCCCN1/C(=C/C=C/C=C/C2=[N+](CCCCS(=O)(=O)[O-])c3ccccc3C2(C)C)c2ccccc2C1(C)C | 10.1016/j.bmcl.2021.128388 | |||||
| CHEMBL5095949 | 215562 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | None | None | None | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NCCCCCCCCCCNC(=O)CCCCCN1/C(=C/C=C/C=C/C2=[N+](CCCCS(=O)(=O)[O-])c3ccccc3C2(C)C)c2ccccc2C1(C)C | 10.1016/j.bmcl.2021.128388 | |||||
| 44304223 | 200389 | 0 | None | -1023 | 3 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 374 | 12 | 0 | 4 | 4.5 | CCCCCC(=O)c1ccc(OCCCN2CCN(CC(C)C)CC2)cc1 | 10.1016/s0960-894x(02)00309-8 | |||
| CHEMBL59798 | 200389 | 0 | None | -1023 | 3 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 374 | 12 | 0 | 4 | 4.5 | CCCCCC(=O)c1ccc(OCCCN2CCN(CC(C)C)CC2)cc1 | 10.1016/s0960-894x(02)00309-8 | |||
| 133 | 2496 | 52 | None | -141 | 42 | Human | 6.0 | pKi | = | 6.0 | 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 | -141 | 42 | Human | 6.0 | pKi | = | 6.0 | 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 | -141 | 42 | Human | 6.0 | pKi | = | 6.0 | 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 | -141 | 42 | Human | 6.0 | pKi | = | 6.0 | 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 | -141 | 42 | Human | 6.0 | pKi | = | 6.0 | 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 | |||
| 44335172 | 5097 | 0 | None | -467 | 3 | Human | 4.0 | pKi | = | 4.0 | Binding | ChEMBL | 374 | 7 | 0 | 5 | 4.0 | CCOC(=O)N1CCN(CCCOc2ccc(-c3ccsc3)cc2)CC1 | 10.1016/s0960-894x(02)00648-0 | |||
| CHEMBL105567 | 5097 | 0 | None | -467 | 3 | Human | 4.0 | pKi | = | 4.0 | Binding | ChEMBL | 374 | 7 | 0 | 5 | 4.0 | CCOC(=O)N1CCN(CCCOc2ccc(-c3ccsc3)cc2)CC1 | 10.1016/s0960-894x(02)00648-0 | |||
| 44304311 | 200293 | 0 | None | -16982 | 3 | Human | 4.0 | pKi | = | 4.0 | Binding | ChEMBL | 442 | 10 | 1 | 7 | 2.2 | N[C@H](Cc1nccs1)C(=O)N1CCN(CCCOc2ccc(C(=O)C3CC3)cc2)CC1 | 10.1016/s0960-894x(02)00310-4 | |||
| CHEMBL59733 | 200293 | 0 | None | -16982 | 3 | Human | 4.0 | pKi | = | 4.0 | Binding | ChEMBL | 442 | 10 | 1 | 7 | 2.2 | N[C@H](Cc1nccs1)C(=O)N1CCN(CCCOc2ccc(C(=O)C3CC3)cc2)CC1 | 10.1016/s0960-894x(02)00310-4 | |||
| 71450548 | 83800 | 0 | None | -7 | 3 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 295 | 3 | 1 | 3 | 2.0 | COc1cccc(CN2C3C4C5CC6C7C5C3C7C2(O)C64)c1 | 10.1016/j.bmcl.2012.08.046 | |||
| CHEMBL2205824 | 83800 | 0 | None | -7 | 3 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 295 | 3 | 1 | 3 | 2.0 | COc1cccc(CN2C3C4C5CC6C7C5C3C7C2(O)C64)c1 | 10.1016/j.bmcl.2012.08.046 | |||
| 127049855 | 140228 | 0 | None | -16 | 4 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 368 | 7 | 3 | 4 | 3.1 | N#C/N=C(/NCCSc1ccccc1)NC[C@@H]1CC[C@@H](c2c[nH]cn2)C1 | 10.1021/acs.jmedchem.6b00120 | |||
| CHEMBL3805220 | 140228 | 0 | None | -16 | 4 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 368 | 7 | 3 | 4 | 3.1 | N#C/N=C(/NCCSc1ccccc1)NC[C@@H]1CC[C@@H](c2c[nH]cn2)C1 | 10.1021/acs.jmedchem.6b00120 | |||
| 132060763 | 162861 | 0 | None | -3 | 8 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 405 | 5 | 0 | 4 | 4.1 | C=C(C)CN1CCN(c2ccc3c(c2)CN(C(=O)OCc2ccccc2)CC3)CC1 | 10.1016/j.ejmech.2018.02.024 | |||
| CHEMBL4173095 | 162861 | 0 | None | -3 | 8 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 405 | 5 | 0 | 4 | 4.1 | C=C(C)CN1CCN(c2ccc3c(c2)CN(C(=O)OCc2ccccc2)CC3)CC1 | 10.1016/j.ejmech.2018.02.024 | |||
| 135 | 2532 | 43 | None | -39 | 58 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | nan | |||
| 1796 | 2532 | 43 | None | -39 | 58 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | nan | |||
| 4184 | 2532 | 43 | None | -39 | 58 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | nan | |||
| CHEMBL6437 | 2532 | 43 | None | -39 | 58 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | nan | |||
| DB06148 | 2532 | 43 | None | -39 | 58 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | nan | |||
| 2281 | 3175 | 82 | None | - | 0 | Rat | 8.6 | pIC50 | = | 8.6 | Binding | Drug Central | 334 | 10 | 2 | 3 | 2.3 | CCCN(C(=O)C(NC(=O)c1ccccc1)CCC(=O)O)CCC | None | |||
| 4922 | 3175 | 82 | None | - | 0 | Rat | 8.6 | pIC50 | = | 8.6 | Binding | Drug Central | 334 | 10 | 2 | 3 | 2.3 | CCCN(C(=O)C(NC(=O)c1ccccc1)CCC(=O)O)CCC | None | |||
| 893 | 3175 | 82 | None | - | 0 | Rat | 8.6 | pIC50 | = | 8.6 | Binding | Drug Central | 334 | 10 | 2 | 3 | 2.3 | CCCN(C(=O)C(NC(=O)c1ccccc1)CCC(=O)O)CCC | None | |||
| CHEMBL316561 | 3175 | 82 | None | - | 0 | Rat | 8.6 | pIC50 | = | 8.6 | Binding | Drug Central | 334 | 10 | 2 | 3 | 2.3 | CCCN(C(=O)C(NC(=O)c1ccccc1)CCC(=O)O)CCC | None | |||
| DB13431 | 3175 | 82 | None | - | 0 | Rat | 8.6 | pIC50 | = | 8.6 | Binding | Drug Central | 334 | 10 | 2 | 3 | 2.3 | CCCN(C(=O)C(NC(=O)c1ccccc1)CCC(=O)O)CCC | None | |||
| 1231 | 937 | 116 | None | -2 | 7 | Human | 8.2 | pKd | = | 8.2 | Binding | Drug Central | 252 | 5 | 3 | 4 | 0.6 | N#CNC(=NC)NCCSCc1nc[nH]c1C | None | |||
| 2756 | 937 | 116 | None | -2 | 7 | Human | 8.2 | pKd | = | 8.2 | Binding | Drug Central | 252 | 5 | 3 | 4 | 0.6 | N#CNC(=NC)NCCSCc1nc[nH]c1C | None | |||
| 645 | 937 | 116 | None | -2 | 7 | Human | 8.2 | pKd | = | 8.2 | Binding | Drug Central | 252 | 5 | 3 | 4 | 0.6 | N#CNC(=NC)NCCSCc1nc[nH]c1C | None | |||
| CHEMBL30 | 937 | 116 | None | -2 | 7 | Human | 8.2 | pKd | = | 8.2 | Binding | Drug Central | 252 | 5 | 3 | 4 | 0.6 | N#CNC(=NC)NCCSCc1nc[nH]c1C | None | |||
| DB00501 | 937 | 116 | None | -2 | 7 | Human | 8.2 | pKd | = | 8.2 | Binding | Drug Central | 252 | 5 | 3 | 4 | 0.6 | N#CNC(=NC)NCCSCc1nc[nH]c1C | None | |||
| 1234 | 3291 | 68 | None | -2 | 6 | Human | 8.2 | pKd | = | 8.2 | Binding | Drug Central | 314 | 10 | 2 | 7 | 1.5 | CN/C(=C\[N+](=O)[O-])/NCCSCc1ccc(o1)CN(C)C | None | |||
| 3001055 | 3291 | 68 | None | -2 | 6 | Human | 8.2 | pKd | = | 8.2 | Binding | Drug Central | 314 | 10 | 2 | 7 | 1.5 | CN/C(=C\[N+](=O)[O-])/NCCSCc1ccc(o1)CN(C)C | None | |||
| CHEMBL512 | 3291 | 68 | None | -2 | 6 | Human | 8.2 | pKd | = | 8.2 | Binding | Drug Central | 314 | 10 | 2 | 7 | 1.5 | CN/C(=C\[N+](=O)[O-])/NCCSCc1ccc(o1)CN(C)C | None | |||
| DB00863 | 3291 | 68 | None | -2 | 6 | Human | 8.2 | pKd | = | 8.2 | Binding | Drug Central | 314 | 10 | 2 | 7 | 1.5 | CN/C(=C\[N+](=O)[O-])/NCCSCc1ccc(o1)CN(C)C | None | |||
| 3033637 | 217719 | 0 | None | - | 1 | Human | 8.2 | pKd | = | 8.2 | Binding | Drug Central | 331 | 10 | 2 | 8 | 1.3 | CNC(NCCSCC1=CSC(CN(C)C)=N1)=C[N+]([O-])=O | None | |||
| 5105 | 176827 | 52 | None | - | 1 | Human | 8.1 | pKd | = | 8.1 | Binding | Drug Central | 348 | 9 | 1 | 5 | 2.1 | CC(=O)OCC(=O)NCCCOc1cccc(CN2CCCCC2)c1 | None | |||
| CHEMBL46102 | 176827 | 52 | None | - | 1 | Human | 8.1 | pKd | = | 8.1 | Binding | Drug Central | 348 | 9 | 1 | 5 | 2.1 | CC(=O)OCC(=O)NCCCOc1cccc(CN2CCCCC2)c1 | None | |||
| 1129 | 1621 | 96 | None | - | 1 | Human | 8.1 | pKd | = | 8.1 | Binding | Drug Central | 337 | 7 | 4 | 6 | -0.8 | NC(=Nc1scc(n1)CSCC/C(=N/S(=O)(=O)N)/N)N | None | |||
| 3325 | 1621 | 96 | None | - | 1 | Human | 8.1 | pKd | = | 8.1 | Binding | Drug Central | 337 | 7 | 4 | 6 | -0.8 | NC(=Nc1scc(n1)CSCC/C(=N/S(=O)(=O)N)/N)N | None | |||
| 5353622 | 1621 | 96 | None | - | 1 | Human | 8.1 | pKd | = | 8.1 | Binding | Drug Central | 337 | 7 | 4 | 6 | -0.8 | NC(=Nc1scc(n1)CSCC/C(=N/S(=O)(=O)N)/N)N | None | |||
| 5702160 | 1621 | 96 | None | - | 1 | Human | 8.1 | pKd | = | 8.1 | Binding | Drug Central | 337 | 7 | 4 | 6 | -0.8 | NC(=Nc1scc(n1)CSCC/C(=N/S(=O)(=O)N)/N)N | None | |||
| 7074 | 1621 | 96 | None | - | 1 | Human | 8.1 | pKd | = | 8.1 | Binding | Drug Central | 337 | 7 | 4 | 6 | -0.8 | NC(=Nc1scc(n1)CSCC/C(=N/S(=O)(=O)N)/N)N | None | |||
| CHEMBL902 | 1621 | 96 | None | - | 1 | Human | 8.1 | pKd | = | 8.1 | Binding | Drug Central | 337 | 7 | 4 | 6 | -0.8 | NC(=Nc1scc(n1)CSCC/C(=N/S(=O)(=O)N)/N)N | None | |||
| DB00927 | 1621 | 96 | None | - | 1 | Human | 8.1 | pKd | = | 8.1 | Binding | Drug Central | 337 | 7 | 4 | 6 | -0.8 | NC(=Nc1scc(n1)CSCC/C(=N/S(=O)(=O)N)/N)N | None | |||
| 1235 | 3823 | 36 | None | -2 | 4 | Human | 8.2 | pKd | = | 8.2 | Binding | Guide to Pharmacology | 312 | 6 | 4 | 6 | -0.1 | N#CNC(=NC)NCCSCc1csc(n1)N=C(N)N | 12869657 | |||
| 3959 | 3823 | 36 | None | -2 | 4 | Human | 8.2 | pKd | = | 8.2 | Binding | Guide to Pharmacology | 312 | 6 | 4 | 6 | -0.1 | N#CNC(=NC)NCCSCc1csc(n1)N=C(N)N | 12869657 | |||
| 50287 | 3823 | 36 | None | -2 | 4 | Human | 8.2 | pKd | = | 8.2 | Binding | Guide to Pharmacology | 312 | 6 | 4 | 6 | -0.1 | N#CNC(=NC)NCCSCc1csc(n1)N=C(N)N | 12869657 | |||
| CHEMBL269646 | 3823 | 36 | None | -2 | 4 | Human | 8.2 | pKd | = | 8.2 | Binding | Guide to Pharmacology | 312 | 6 | 4 | 6 | -0.1 | N#CNC(=NC)NCCSCc1csc(n1)N=C(N)N | 12869657 | |||
| 46222048 | 8984 | 0 | UNDEFINED | -4365 | 13 | Human | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 260 | 4 | 1 | 2 | 4.0 | CC(C)(C)c1ccc(SCCc2c[nH]cn2)cc1 | None | |||
| CHEMBL1098230 | 8984 | 0 | UNDEFINED | -4365 | 13 | Human | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 260 | 4 | 1 | 2 | 4.0 | CC(C)(C)c1ccc(SCCc2c[nH]cn2)cc1 | None | |||
| 179 | 400 | 115 | 3H-TIOTIDINE | -4365 | 49 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 369 | 7 | 2 | 6 | 1.3 | CCN1CCCC1CNC(=O)c1cc(c(cc1OC)N)S(=O)(=O)CC | None | |||
| 2159 | 400 | 115 | 3H-TIOTIDINE | -4365 | 49 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 369 | 7 | 2 | 6 | 1.3 | CCN1CCCC1CNC(=O)c1cc(c(cc1OC)N)S(=O)(=O)CC | None | |||
| 963 | 400 | 115 | 3H-TIOTIDINE | -4365 | 49 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 369 | 7 | 2 | 6 | 1.3 | CCN1CCCC1CNC(=O)c1cc(c(cc1OC)N)S(=O)(=O)CC | None | |||
| CHEMBL243712 | 400 | 115 | 3H-TIOTIDINE | -4365 | 49 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 369 | 7 | 2 | 6 | 1.3 | CCN1CCCC1CNC(=O)c1cc(c(cc1OC)N)S(=O)(=O)CC | None | |||
| DB06288 | 400 | 115 | 3H-TIOTIDINE | -4365 | 49 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 369 | 7 | 2 | 6 | 1.3 | CCN1CCCC1CNC(=O)c1cc(c(cc1OC)N)S(=O)(=O)CC | None | |||
| 242 | 470 | 124 | 3H-TIOTIDINE | -7244 | 51 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | None | |||
| 34 | 470 | 124 | 3H-TIOTIDINE | -7244 | 51 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | None | |||
| 60795 | 470 | 124 | 3H-TIOTIDINE | -7244 | 51 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | None | |||
| CHEMBL1112 | 470 | 124 | 3H-TIOTIDINE | -7244 | 51 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | None | |||
| DB01238 | 470 | 124 | 3H-TIOTIDINE | -7244 | 51 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | None | |||
| 1231 | 937 | 116 | 3H-Histamine | -2 | 7 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 252 | 5 | 3 | 4 | 0.6 | N#CNC(=NC)NCCSCc1nc[nH]c1C | None | |||
| 2756 | 937 | 116 | 3H-Histamine | -2 | 7 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 252 | 5 | 3 | 4 | 0.6 | N#CNC(=NC)NCCSCc1nc[nH]c1C | None | |||
| 645 | 937 | 116 | 3H-Histamine | -2 | 7 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 252 | 5 | 3 | 4 | 0.6 | N#CNC(=NC)NCCSCc1nc[nH]c1C | None | |||
| CHEMBL30 | 937 | 116 | 3H-Histamine | -2 | 7 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 252 | 5 | 3 | 4 | 0.6 | N#CNC(=NC)NCCSCc1nc[nH]c1C | None | |||
| DB00501 | 937 | 116 | 3H-Histamine | -2 | 7 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 252 | 5 | 3 | 4 | 0.6 | N#CNC(=NC)NCCSCc1nc[nH]c1C | None | |||
| 1204 | 1932 | 119 | 3H-TIOTIDINE | -173 | 24 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | None | |||
| 1247 | 1932 | 119 | 3H-TIOTIDINE | -173 | 24 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | None | |||
| 1375 | 1932 | 119 | 3H-TIOTIDINE | -173 | 24 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | None | |||
| 774 | 1932 | 119 | 3H-TIOTIDINE | -173 | 24 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | None | |||
| CHEMBL90 | 1932 | 119 | 3H-TIOTIDINE | -173 | 24 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | None | |||
| DB05381 | 1932 | 119 | 3H-TIOTIDINE | -173 | 24 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | None | |||
| 134 | 2514 | 24 | 3H-TIOTIDINE | -8511 | 67 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 353 | 4 | 2 | 4 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)cn3C)CO | None | |||
| 1775 | 2514 | 24 | 3H-TIOTIDINE | -8511 | 67 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 353 | 4 | 2 | 4 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)cn3C)CO | None | |||
| 9681 | 2514 | 24 | 3H-TIOTIDINE | -8511 | 67 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 353 | 4 | 2 | 4 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)cn3C)CO | None | |||
| CHEMBL1065 | 2514 | 24 | 3H-TIOTIDINE | -8511 | 67 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 353 | 4 | 2 | 4 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)cn3C)CO | None | |||
| DB00247 | 2514 | 24 | 3H-TIOTIDINE | -8511 | 67 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 353 | 4 | 2 | 4 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)cn3C)CO | None | |||
| 15897 | 2862 | 0 | 3H-TIOTIDINE | -354 | 36 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 203 | 2 | 1 | 1 | 2.6 | CC(Cc1cccc(c1)C(F)(F)F)N | None | |||
| 215 | 2862 | 0 | 3H-TIOTIDINE | -354 | 36 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 203 | 2 | 1 | 1 | 2.6 | CC(Cc1cccc(c1)C(F)(F)F)N | None | |||
| CHEMBL1979333 | 2862 | 0 | 3H-TIOTIDINE | -354 | 36 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 203 | 2 | 1 | 1 | 2.6 | CC(Cc1cccc(c1)C(F)(F)F)N | None | |||
| 2337 | 3256 | 77 | 3H-TIOTIDINE | -1122 | 62 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | None | |||
| 50 | 3256 | 77 | 3H-TIOTIDINE | -1122 | 62 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | None | |||
| 5002 | 3256 | 77 | 3H-TIOTIDINE | -1122 | 62 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | None | |||
| CHEMBL716 | 3256 | 77 | 3H-TIOTIDINE | -1122 | 62 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | None | |||
| DB01224 | 3256 | 77 | 3H-TIOTIDINE | -1122 | 62 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | None | |||
| 1234 | 3291 | 68 | 3H-Histamine | -2 | 6 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 314 | 10 | 2 | 7 | 1.5 | CN/C(=C\[N+](=O)[O-])/NCCSCc1ccc(o1)CN(C)C | None | |||
| 3001055 | 3291 | 68 | 3H-Histamine | -2 | 6 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 314 | 10 | 2 | 7 | 1.5 | CN/C(=C\[N+](=O)[O-])/NCCSCc1ccc(o1)CN(C)C | None | |||
| CHEMBL512 | 3291 | 68 | 3H-Histamine | -2 | 6 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 314 | 10 | 2 | 7 | 1.5 | CN/C(=C\[N+](=O)[O-])/NCCSCc1ccc(o1)CN(C)C | None | |||
| DB00863 | 3291 | 68 | 3H-Histamine | -2 | 6 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 314 | 10 | 2 | 7 | 1.5 | CN/C(=C\[N+](=O)[O-])/NCCSCc1ccc(o1)CN(C)C | None | |||
| 6917970 | 3691 | 61 | 3H-TIOTIDINE | -2290 | 34 | Human | 5.0 | pKi | = | 5 | 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-TIOTIDINE | -2290 | 34 | Human | 5.0 | pKi | = | 5 | 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-TIOTIDINE | -2290 | 34 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 327 | 2 | 2 | 5 | 2.8 | COc1cc2CCN3[C@H](c2cc1O)Cc1c(C3)c(OC)c(cc1)O | None | |||
| 1267 | 3804 | 49 | 3H-TIOTIDINE | -4168 | 26 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 292 | 2 | 2 | 2 | 2.8 | S=C(N1CCC(CC1)c1cnc[nH]1)NC1CCCCC1 | None | |||
| 3035905 | 3804 | 49 | 3H-TIOTIDINE | -4168 | 26 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 292 | 2 | 2 | 2 | 2.8 | S=C(N1CCC(CC1)c1cnc[nH]1)NC1CCCCC1 | None | |||
| CHEMBL260374 | 3804 | 49 | 3H-TIOTIDINE | -4168 | 26 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 292 | 2 | 2 | 2 | 2.8 | S=C(N1CCC(CC1)c1cnc[nH]1)NC1CCCCC1 | None | |||
| 1235 | 3823 | 36 | 3H-Histamine | -2 | 4 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 312 | 6 | 4 | 6 | -0.1 | N#CNC(=NC)NCCSCc1csc(n1)N=C(N)N | None | |||
| 3959 | 3823 | 36 | 3H-Histamine | -2 | 4 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 312 | 6 | 4 | 6 | -0.1 | N#CNC(=NC)NCCSCc1csc(n1)N=C(N)N | None | |||
| 50287 | 3823 | 36 | 3H-Histamine | -2 | 4 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 312 | 6 | 4 | 6 | -0.1 | N#CNC(=NC)NCCSCc1csc(n1)N=C(N)N | None | |||
| CHEMBL269646 | 3823 | 36 | 3H-Histamine | -2 | 4 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 312 | 6 | 4 | 6 | -0.1 | N#CNC(=NC)NCCSCc1csc(n1)N=C(N)N | None | |||
| 2662 | 11384 | 131 | 3H-TIOTIDINE | -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-TIOTIDINE | -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-TIOTIDINE | -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-TIOTIDINE | -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 | |||
| 10297 | 27112 | 30 | 3H-TIOTIDINE | -38 | 42 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 151 | 2 | 2 | 2 | 1.1 | C[C@H](N)[C@H](O)c1ccccc1 | None | |||
| CHEMBL136560 | 27112 | 30 | 3H-TIOTIDINE | -38 | 42 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 151 | 2 | 2 | 2 | 1.1 | C[C@H](N)[C@H](O)c1ccccc1 | None | |||
| 156391 | 46800 | 99 | 3H-TIOTIDINE | -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-TIOTIDINE | -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-TIOTIDINE | -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 | |||
| 10624 | 70300 | 19 | 3H-TIOTIDINE | -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 | 3H-TIOTIDINE | -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 | 3H-TIOTIDINE | -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-TIOTIDINE | -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-TIOTIDINE | -1 | 27 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 180 | 2 | 1 | 3 | 1.3 | CC(=O)Oc1ccccc1C(=O)O | None | |||
| 446220 | 133521 | 14 | 3H-TIOTIDINE | -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-TIOTIDINE | -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 | |||
| 44208932 | 140707 | 7 | UNDEFINED | -89125 | 36 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 475 | 5 | 1 | 3 | 6.8 | Cc1ccc(Cn2nc(C(=O)NC3C4(C)CCC(C4)C3(C)C)cc2-c2ccc(Cl)c(C)c2)cc1 | None | |||
| CHEMBL381689 | 140707 | 7 | UNDEFINED | -89125 | 36 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 475 | 5 | 1 | 3 | 6.8 | Cc1ccc(Cn2nc(C(=O)NC3C4(C)CCC(C4)C3(C)C)cc2-c2ccc(Cl)c(C)c2)cc1 | None | |||
| 1615 | 167791 | 24 | 3H-PYRILAMINE | -26 | 44 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 193 | 3 | 1 | 3 | 1.6 | CNC(C)Cc1ccc2c(c1)OCO2 | None | |||
| 1615 | 167791 | 24 | 3H-TIOTIDINE | -26 | 44 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 193 | 3 | 1 | 3 | 1.6 | CNC(C)Cc1ccc2c(c1)OCO2 | None | |||
| CHEMBL43048 | 167791 | 24 | 3H-PYRILAMINE | -26 | 44 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 193 | 3 | 1 | 3 | 1.6 | CNC(C)Cc1ccc2c(c1)OCO2 | None | |||
| CHEMBL43048 | 167791 | 24 | 3H-TIOTIDINE | -26 | 44 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 193 | 3 | 1 | 3 | 1.6 | CNC(C)Cc1ccc2c(c1)OCO2 | None | |||
| 3672 | 192533 | 136 | 3H-TIOTIDINE | -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-TIOTIDINE | -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-TIOTIDINE | -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-TIOTIDINE | -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-TIOTIDINE | -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-TIOTIDINE | -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-TIOTIDINE | -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-TIOTIDINE | -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-TIOTIDINE | -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 | |||
| 162265 | 202274 | 22 | 3H-TIOTIDINE | -239 | 43 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 151 | 2 | 2 | 2 | 1.1 | CC(N)C(O)c1ccccc1 | None | |||
| 4786 | 202274 | 22 | 3H-TIOTIDINE | -239 | 43 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 151 | 2 | 2 | 2 | 1.1 | CC(N)C(O)c1ccccc1 | None | |||
| CHEMBL61006 | 202274 | 22 | 3H-TIOTIDINE | -239 | 43 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 151 | 2 | 2 | 2 | 1.1 | CC(N)C(O)c1ccccc1 | None | |||
| 1973 | 203483 | 15 | 3H-APT | -3 | 36 | Rat | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 462 | 3 | 1 | 7 | 3.9 | Nc1ncnc2nc(-c3ccc(N4CCOCC4)nc3)cc(-c3cccc(Br)c3)c12 | None | |||
| CHEMBL1394464 | 203483 | 15 | 3H-APT | -3 | 36 | Rat | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 462 | 3 | 1 | 7 | 3.9 | Nc1ncnc2nc(-c3ccc(N4CCOCC4)nc3)cc(-c3cccc(Br)c3)c12 | None | |||
| CHEMBL66089 | 203483 | 15 | 3H-APT | -3 | 36 | Rat | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 462 | 3 | 1 | 7 | 3.9 | Nc1ncnc2nc(-c3ccc(N4CCOCC4)nc3)cc(-c3cccc(Br)c3)c12 | None | |||
| 3821 | 204718 | 17 | 3H-TIOTIDINE | -1 | 18 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 237 | 2 | 1 | 2 | 2.9 | CNC1(c2ccccc2Cl)CCCCC1=O | None | |||
| CHEMBL742 | 204718 | 17 | 3H-TIOTIDINE | -1 | 18 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 237 | 2 | 1 | 2 | 2.9 | CNC1(c2ccccc2Cl)CCCCC1=O | None | |||
| 4054 | 205501 | 72 | 3H-TIOTIDINE | -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 | 3H-TIOTIDINE | -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 | 3H-TIOTIDINE | -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-TIOTIDINE | -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-TIOTIDINE | -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 | |||
| 3337 | 206367 | 27 | 3H-TIOTIDINE | -1513 | 40 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 231 | 4 | 1 | 1 | 3.2 | CCNC(C)Cc1cccc(C(F)(F)F)c1 | None | |||
| 65801 | 206367 | 27 | 3H-TIOTIDINE | -1513 | 40 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 231 | 4 | 1 | 1 | 3.2 | CCNC(C)Cc1cccc(C(F)(F)F)c1 | None | |||
| 66264 | 206367 | 27 | 3H-TIOTIDINE | -1513 | 40 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 231 | 4 | 1 | 1 | 3.2 | CCNC(C)Cc1cccc(C(F)(F)F)c1 | None | |||
| 91452 | 206367 | 27 | 3H-TIOTIDINE | -1513 | 40 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 231 | 4 | 1 | 1 | 3.2 | CCNC(C)Cc1cccc(C(F)(F)F)c1 | None | |||
| CHEMBL87493 | 206367 | 27 | 3H-TIOTIDINE | -1513 | 40 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 231 | 4 | 1 | 1 | 3.2 | CCNC(C)Cc1cccc(C(F)(F)F)c1 | None | |||
| 11954224 | 215953 | 0 | 3H-TIOTIDINE | -141253 | 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 | I125- Tiotodine | -1 | 28 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 329 | 2 | 0 | 4 | 3.6 | CC1=NC=CN1CC2CCC3=C(C2=O)C4=CC=CC=C4N3C.Cl | None | |||
| 104911 | 216019 | 0 | 3H-TIOTIDINE | -41686 | 37 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 530 | 7 | 0 | 5 | 5.1 | COC1=CC=CC=C1N2CCN(CC2)CCN(C3=CC=CC=N3)C(=O)C4CCCCC4.Cl.Cl.Cl | None | |||
| 25137849 | 216179 | 0 | 3H-TIOTIDINE | -4 | 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-TIOTIDINE | -4 | 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-TIOTIDINE | -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-TIOTIDINE | -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-TIOTIDINE | -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-TIOTIDINE | -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-TIOTIDINE | -1 | 28 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 117 | 0 | 1 | 3 | -0.0 | C1CSC(=O)C1N | None | |||
| None | 216316 | 0 | 3H-TIOTIDINE | -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-TIOTIDINE | -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 | 216325 | 0 | 3H-TIOTIDINE | -13 | 40 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 149 | 2 | 1 | 2 | 1.2 | CC(C(=O)C1=CC=CC=C1)N | None | |||
| 1576 | 216326 | 0 | 3H-TIOTIDINE | -16 | 40 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 163 | 3 | 1 | 2 | 1.5 | CC(C(=O)C1=CC=CC=C1)NC | None | |||
| 135269 | 216389 | 0 | 3H-TIOTIDINE | -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-TIOTIDINE | -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-TIOTIDINE | -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-TIOTIDINE | -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-TIOTIDINE | -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-TIOTIDINE | -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-TIOTIDINE | -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 | 216450 | 0 | Functional | -660 | 28 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 322 | 5 | 2 | 3 | 4.1 | CC(CC1=CNC2=C1C=C(C=C2)OCC3=CC=CS3)N.Cl | None | |||
| None | 216450 | 0 | UNDEFINED | -660 | 28 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 322 | 5 | 2 | 3 | 4.1 | CC(CC1=CNC2=C1C=C(C=C2)OCC3=CC=CS3)N.Cl | None | |||
| None | 216489 | 0 | 3H-TIOTIDINE | -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 | |||
| None | 216493 | 0 | 125I-aminopotentidine | -10471285 | 17 | Rat | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 372 | 2 | 1 | 3 | 4.4 | CC(C)(C)C1=CC=C(C=C1)NC(=O)N2CCN(CC2)C3=C(C=CC=N3)Cl | None | |||
| None | 217079 | 0 | UNDEFINED | -3467 | 5 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 463 | 4 | 1 | 4 | 3.7 | C1C(C(=NN1C(=NS(=O)(=O)C2=CC=C(C=C2)C#N)N)C3=CC=C(C=C3)Cl)C4=CC=CC=C4 | None | |||
| 1353 | 1911 | 93 | 3H-TIOTIDINE | -131 | 83 | Human | 6.0 | pKi | = | 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-TIOTIDINE | -131 | 83 | Human | 6.0 | pKi | = | 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-TIOTIDINE | -131 | 83 | Human | 6.0 | pKi | = | 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-TIOTIDINE | -131 | 83 | Human | 6.0 | pKi | = | 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-TIOTIDINE | -131 | 83 | Human | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | None | |||
| 2389 | 3331 | 118 | 3H-TIOTIDINE | -288 | 67 | Human | 6.9 | pKi | = | 6.9 | Binding | PDSP KiDatabase | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | None | |||
| 5073 | 3331 | 118 | 3H-TIOTIDINE | -288 | 67 | Human | 6.9 | pKi | = | 6.9 | Binding | PDSP KiDatabase | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | None | |||
| 96 | 3331 | 118 | 3H-TIOTIDINE | -288 | 67 | Human | 6.9 | pKi | = | 6.9 | Binding | PDSP KiDatabase | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | None | |||
| CHEMBL85 | 3331 | 118 | 3H-TIOTIDINE | -288 | 67 | Human | 6.9 | pKi | = | 6.9 | Binding | PDSP KiDatabase | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | None | |||
| DB00734 | 3331 | 118 | 3H-TIOTIDINE | -288 | 67 | Human | 6.9 | pKi | = | 6.9 | Binding | PDSP KiDatabase | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | None | |||
| 115237 | 55585 | 119 | 3H-TIOTIDINE | -123 | 54 | Human | 6.9 | pKi | = | 6.9 | Binding | PDSP KiDatabase | 426 | 4 | 1 | 7 | 3.1 | Cc1nc2n(c(=O)c1CCN1CCC(c3noc4cc(F)ccc34)CC1)CCCC2O | None | |||
| CHEMBL1621 | 55585 | 119 | 3H-TIOTIDINE | -123 | 54 | Human | 6.9 | pKi | = | 6.9 | Binding | PDSP KiDatabase | 426 | 4 | 1 | 7 | 3.1 | Cc1nc2n(c(=O)c1CCN1CCC(c3noc4cc(F)ccc34)CC1)CCCC2O | None | |||
| 100 | 3805 | 58 | 3H-TIOTIDINE | -46 | 55 | Human | 6.9 | pKi | = | 6.9 | Binding | PDSP KiDatabase | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | None | |||
| 2637 | 3805 | 58 | 3H-TIOTIDINE | -46 | 55 | Human | 6.9 | pKi | = | 6.9 | Binding | PDSP KiDatabase | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | None | |||
| 5452 | 3805 | 58 | 3H-TIOTIDINE | -46 | 55 | Human | 6.9 | pKi | = | 6.9 | Binding | PDSP KiDatabase | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | None | |||
| CHEMBL479 | 3805 | 58 | 3H-TIOTIDINE | -46 | 55 | Human | 6.9 | pKi | = | 6.9 | Binding | PDSP KiDatabase | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | None | |||
| DB00679 | 3805 | 58 | 3H-TIOTIDINE | -46 | 55 | Human | 6.9 | pKi | = | 6.9 | Binding | PDSP KiDatabase | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | None | |||
| 1204 | 1932 | 119 | 3H-Histamine | -173 | 24 | Human | 7.8 | pKi | = | 7.8 | Binding | PDSP KiDatabase | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | None | |||
| 1247 | 1932 | 119 | 3H-Histamine | -173 | 24 | Human | 7.8 | pKi | = | 7.8 | Binding | PDSP KiDatabase | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | None | |||
| 1375 | 1932 | 119 | 3H-Histamine | -173 | 24 | Human | 7.8 | pKi | = | 7.8 | Binding | PDSP KiDatabase | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | None | |||
| 774 | 1932 | 119 | 3H-Histamine | -173 | 24 | Human | 7.8 | pKi | = | 7.8 | Binding | PDSP KiDatabase | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | None | |||
| CHEMBL90 | 1932 | 119 | 3H-Histamine | -173 | 24 | Human | 7.8 | pKi | = | 7.8 | Binding | PDSP KiDatabase | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | None | |||
| DB05381 | 1932 | 119 | 3H-Histamine | -173 | 24 | Human | 7.8 | pKi | = | 7.8 | Binding | PDSP KiDatabase | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | None | |||
| 1235 | 3823 | 36 | 125I-iodoaminopotentidine | -2 | 4 | Human | 7.8 | pKi | = | 7.8 | Binding | PDSP KiDatabase | 312 | 6 | 4 | 6 | -0.1 | N#CNC(=NC)NCCSCc1csc(n1)N=C(N)N | None | |||
| 3959 | 3823 | 36 | 125I-iodoaminopotentidine | -2 | 4 | Human | 7.8 | pKi | = | 7.8 | Binding | PDSP KiDatabase | 312 | 6 | 4 | 6 | -0.1 | N#CNC(=NC)NCCSCc1csc(n1)N=C(N)N | None | |||
| 50287 | 3823 | 36 | 125I-iodoaminopotentidine | -2 | 4 | Human | 7.8 | pKi | = | 7.8 | Binding | PDSP KiDatabase | 312 | 6 | 4 | 6 | -0.1 | N#CNC(=NC)NCCSCc1csc(n1)N=C(N)N | None | |||
| CHEMBL269646 | 3823 | 36 | 125I-iodoaminopotentidine | -2 | 4 | Human | 7.8 | pKi | = | 7.8 | Binding | PDSP KiDatabase | 312 | 6 | 4 | 6 | -0.1 | N#CNC(=NC)NCCSCc1csc(n1)N=C(N)N | None | |||
| 135398737 | 958 | 93 | 3H-TIOTIDINE | -64 | 89 | Human | 6.8 | pKi | = | 6.8 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | |||
| 38 | 958 | 93 | 3H-TIOTIDINE | -64 | 89 | Human | 6.8 | pKi | = | 6.8 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | |||
| 722 | 958 | 93 | 3H-TIOTIDINE | -64 | 89 | Human | 6.8 | pKi | = | 6.8 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | |||
| CHEMBL42 | 958 | 93 | 3H-TIOTIDINE | -64 | 89 | Human | 6.8 | pKi | = | 6.8 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | |||
| DB00363 | 958 | 93 | 3H-TIOTIDINE | -64 | 89 | Human | 6.8 | pKi | = | 6.8 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | |||
| 1204 | 1932 | 119 | 3H-TIOTIDINE | -316 | 24 | Rat | 7.8 | pKi | = | 7.8 | Binding | PDSP KiDatabase | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | None | |||
| 1247 | 1932 | 119 | 3H-TIOTIDINE | -316 | 24 | Rat | 7.8 | pKi | = | 7.8 | Binding | PDSP KiDatabase | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | None | |||
| 1375 | 1932 | 119 | 3H-TIOTIDINE | -316 | 24 | Rat | 7.8 | pKi | = | 7.8 | Binding | PDSP KiDatabase | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | None | |||
| 774 | 1932 | 119 | 3H-TIOTIDINE | -316 | 24 | Rat | 7.8 | pKi | = | 7.8 | Binding | PDSP KiDatabase | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | None | |||
| CHEMBL90 | 1932 | 119 | 3H-TIOTIDINE | -316 | 24 | Rat | 7.8 | pKi | = | 7.8 | Binding | PDSP KiDatabase | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | None | |||
| DB05381 | 1932 | 119 | 3H-TIOTIDINE | -316 | 24 | Rat | 7.8 | pKi | = | 7.8 | Binding | PDSP KiDatabase | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | None | |||
| 2726 | 919 | 68 | 3H-TIOTIDINE | -85 | 72 | Human | 6.8 | pKi | = | 6.8 | Binding | PDSP KiDatabase | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | None | |||
| 621 | 919 | 68 | 3H-TIOTIDINE | -85 | 72 | Human | 6.8 | pKi | = | 6.8 | Binding | PDSP KiDatabase | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | None | |||
| 83 | 919 | 68 | 3H-TIOTIDINE | -85 | 72 | Human | 6.8 | pKi | = | 6.8 | Binding | PDSP KiDatabase | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | None | |||
| CHEMBL71 | 919 | 68 | 3H-TIOTIDINE | -85 | 72 | Human | 6.8 | pKi | = | 6.8 | Binding | PDSP KiDatabase | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | None | |||
| DB00477 | 919 | 68 | 3H-TIOTIDINE | -85 | 72 | Human | 6.8 | pKi | = | 6.8 | Binding | PDSP KiDatabase | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | None | |||
| 46780481 | 107531 | 20 | 3H-TIOTIDINE | -21 | 53 | Human | 8.6 | pKi | = | 8.6 | Binding | PDSP KiDatabase | 285 | 0 | 0 | 2 | 4.3 | CN1CC2c3ccccc3Oc3ccc(Cl)cc3C2C1 | None | |||
| 9903970 | 107531 | 20 | 3H-TIOTIDINE | -21 | 53 | Human | 8.6 | pKi | = | 8.6 | Binding | PDSP KiDatabase | 285 | 0 | 0 | 2 | 4.3 | CN1CC2c3ccccc3Oc3ccc(Cl)cc3C2C1 | None | |||
| CHEMBL3187365 | 107531 | 20 | 3H-TIOTIDINE | -21 | 53 | Human | 8.6 | pKi | = | 8.6 | Binding | PDSP KiDatabase | 285 | 0 | 0 | 2 | 4.3 | CN1CC2c3ccccc3Oc3ccc(Cl)cc3C2C1 | None | |||
| CHEMBL3544974 | 107531 | 20 | 3H-TIOTIDINE | -21 | 53 | Human | 8.6 | pKi | = | 8.6 | Binding | PDSP KiDatabase | 285 | 0 | 0 | 2 | 4.3 | CN1CC2c3ccccc3Oc3ccc(Cl)cc3C2C1 | None | |||
| 1613 | 2348 | 53 | 3H-TIOTIDINE | -10 | 44 | Human | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | 327 | 0 | 0 | 4 | 3.8 | CN1CCN(CC1)C1=Nc2ccccc2Oc2c1cc(Cl)cc2 | None | |||
| 205 | 2348 | 53 | 3H-TIOTIDINE | -10 | 44 | Human | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | 327 | 0 | 0 | 4 | 3.8 | CN1CCN(CC1)C1=Nc2ccccc2Oc2c1cc(Cl)cc2 | None | |||
| 3964 | 2348 | 53 | 3H-TIOTIDINE | -10 | 44 | Human | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | 327 | 0 | 0 | 4 | 3.8 | CN1CCN(CC1)C1=Nc2ccccc2Oc2c1cc(Cl)cc2 | None | |||
| CHEMBL831 | 2348 | 53 | 3H-TIOTIDINE | -10 | 44 | Human | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | 327 | 0 | 0 | 4 | 3.8 | CN1CCN(CC1)C1=Nc2ccccc2Oc2c1cc(Cl)cc2 | None | |||
| DB00408 | 2348 | 53 | 3H-TIOTIDINE | -10 | 44 | Human | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | 327 | 0 | 0 | 4 | 3.8 | CN1CCN(CC1)C1=Nc2ccccc2Oc2c1cc(Cl)cc2 | None | |||
| 21830793 | 91835 | 10 | 3H-8-OH-DPAT | -14125 | 45 | Bovine | 5.7 | pKi | = | 5.7 | 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 | -14125 | 45 | Bovine | 5.7 | pKi | = | 5.7 | Binding | PDSP KiDatabase | 373 | 7 | 0 | 8 | 0.6 | COc1ccccc1N1CCN(CCCCn2ncc(=O)n(C)c2=O)CC1 | None | |||
| 1226 | 2019 | 20 | 3H-Histamine | -7 | 6 | Human | 7.6 | pKi | = | 7.6 | Binding | PDSP KiDatabase | 321 | 9 | 4 | 4 | 1.2 | NC(=NCCCc1cnc[nH]1)NCCSCc1nc[nH]c1C | None | |||
| 41376 | 2019 | 20 | 3H-Histamine | -7 | 6 | Human | 7.6 | pKi | = | 7.6 | Binding | PDSP KiDatabase | 321 | 9 | 4 | 4 | 1.2 | NC(=NCCCc1cnc[nH]1)NCCSCc1nc[nH]c1C | None | |||
| CHEMBL12608 | 2019 | 20 | 3H-Histamine | -7 | 6 | Human | 7.6 | pKi | = | 7.6 | Binding | PDSP KiDatabase | 321 | 9 | 4 | 4 | 1.2 | NC(=NCCCc1cnc[nH]1)NCCSCc1nc[nH]c1C | None | |||
| 1248 | 1424 | 28 | 125I-iodoaminopotentidine | -123 | 6 | Human | 4.6 | pKi | = | 4.6 | Binding | PDSP KiDatabase | 161 | 4 | 2 | 3 | 0.6 | CN(CCCSC(=N)N)C | None | |||
| 3077 | 1424 | 28 | 125I-iodoaminopotentidine | -123 | 6 | Human | 4.6 | pKi | = | 4.6 | Binding | PDSP KiDatabase | 161 | 4 | 2 | 3 | 0.6 | CN(CCCSC(=N)N)C | None | |||
| 90045 | 1424 | 28 | 125I-iodoaminopotentidine | -123 | 6 | Human | 4.6 | pKi | = | 4.6 | Binding | PDSP KiDatabase | 161 | 4 | 2 | 3 | 0.6 | CN(CCCSC(=N)N)C | None | |||
| CHEMBL12344 | 1424 | 28 | 125I-iodoaminopotentidine | -123 | 6 | Human | 4.6 | pKi | = | 4.6 | Binding | PDSP KiDatabase | 161 | 4 | 2 | 3 | 0.6 | CN(CCCSC(=N)N)C | None | |||
| 119570 | 3159 | 96 | 3H-TIOTIDINE | -281 | 40 | Human | 5.6 | pKi | = | 5.6 | Binding | PDSP KiDatabase | 211 | 3 | 2 | 4 | 1.6 | CCCN[C@H]1CCc2c(C1)sc(n2)N | None | |||
| 2233 | 3159 | 96 | 3H-TIOTIDINE | -281 | 40 | Human | 5.6 | pKi | = | 5.6 | Binding | PDSP KiDatabase | 211 | 3 | 2 | 4 | 1.6 | CCCN[C@H]1CCc2c(C1)sc(n2)N | None | |||
| 953 | 3159 | 96 | 3H-TIOTIDINE | -281 | 40 | Human | 5.6 | pKi | = | 5.6 | Binding | PDSP KiDatabase | 211 | 3 | 2 | 4 | 1.6 | CCCN[C@H]1CCc2c(C1)sc(n2)N | None | |||
| CHEMBL301265 | 3159 | 96 | 3H-TIOTIDINE | -281 | 40 | Human | 5.6 | pKi | = | 5.6 | Binding | PDSP KiDatabase | 211 | 3 | 2 | 4 | 1.6 | CCCN[C@H]1CCc2c(C1)sc(n2)N | None | |||
| DB00413 | 3159 | 96 | 3H-TIOTIDINE | -281 | 40 | Human | 5.6 | pKi | = | 5.6 | Binding | PDSP KiDatabase | 211 | 3 | 2 | 4 | 1.6 | CCCN[C@H]1CCc2c(C1)sc(n2)N | None | |||
| 1248 | 1424 | 28 | 3H-Histamine | -123 | 6 | Human | 6.5 | pKi | = | 6.5 | Binding | PDSP KiDatabase | 161 | 4 | 2 | 3 | 0.6 | CN(CCCSC(=N)N)C | None | |||
| 3077 | 1424 | 28 | 3H-Histamine | -123 | 6 | Human | 6.5 | pKi | = | 6.5 | Binding | PDSP KiDatabase | 161 | 4 | 2 | 3 | 0.6 | CN(CCCSC(=N)N)C | None | |||
| 90045 | 1424 | 28 | 3H-Histamine | -123 | 6 | Human | 6.5 | pKi | = | 6.5 | Binding | PDSP KiDatabase | 161 | 4 | 2 | 3 | 0.6 | CN(CCCSC(=N)N)C | None | |||
| CHEMBL12344 | 1424 | 28 | 3H-Histamine | -123 | 6 | Human | 6.5 | pKi | = | 6.5 | Binding | PDSP KiDatabase | 161 | 4 | 2 | 3 | 0.6 | CN(CCCSC(=N)N)C | None | |||
| 213 | 3853 | 55 | 3H-TIOTIDINE | -12 | 44 | Human | 5.5 | pKi | = | 5.5 | Binding | PDSP KiDatabase | 371 | 5 | 0 | 6 | 2.4 | Clc1cccc(c1)N1CCN(CC1)CCCn1nc2n(c1=O)cccc2 | None | |||
| 2717 | 3853 | 55 | 3H-TIOTIDINE | -12 | 44 | Human | 5.5 | pKi | = | 5.5 | Binding | PDSP KiDatabase | 371 | 5 | 0 | 6 | 2.4 | Clc1cccc(c1)N1CCN(CC1)CCCn1nc2n(c1=O)cccc2 | None | |||
| 5533 | 3853 | 55 | 3H-TIOTIDINE | -12 | 44 | Human | 5.5 | pKi | = | 5.5 | Binding | PDSP KiDatabase | 371 | 5 | 0 | 6 | 2.4 | Clc1cccc(c1)N1CCN(CC1)CCCn1nc2n(c1=O)cccc2 | None | |||
| CHEMBL621 | 3853 | 55 | 3H-TIOTIDINE | -12 | 44 | Human | 5.5 | pKi | = | 5.5 | Binding | PDSP KiDatabase | 371 | 5 | 0 | 6 | 2.4 | Clc1cccc(c1)N1CCN(CC1)CCCn1nc2n(c1=O)cccc2 | None | |||
| DB00656 | 3853 | 55 | 3H-TIOTIDINE | -12 | 44 | Human | 5.5 | pKi | = | 5.5 | Binding | PDSP KiDatabase | 371 | 5 | 0 | 6 | 2.4 | Clc1cccc(c1)N1CCN(CC1)CCCn1nc2n(c1=O)cccc2 | None | |||
| 135409468 | 2035 | 69 | 3H-TIOTIDINE | -123 | 39 | Human | 6.5 | pKi | = | 6.5 | Binding | PDSP KiDatabase | 312 | 1 | 2 | 4 | 1.7 | Clc1ccc2c(c1)NC(=c1c(=N2)cccc1)N1CCNCC1 | None | |||
| 333 | 2035 | 69 | 3H-TIOTIDINE | -123 | 39 | Human | 6.5 | pKi | = | 6.5 | Binding | PDSP KiDatabase | 312 | 1 | 2 | 4 | 1.7 | Clc1ccc2c(c1)NC(=c1c(=N2)cccc1)N1CCNCC1 | None | |||
| CHEMBL845 | 2035 | 69 | 3H-TIOTIDINE | -123 | 39 | Human | 6.5 | pKi | = | 6.5 | Binding | PDSP KiDatabase | 312 | 1 | 2 | 4 | 1.7 | Clc1ccc2c(c1)NC(=c1c(=N2)cccc1)N1CCNCC1 | None | |||
| 2865 | 4143 | 73 | 3H-TIOTIDINE | -281 | 53 | Human | 5.5 | pKi | = | 5.5 | Binding | PDSP KiDatabase | 412 | 4 | 1 | 5 | 3.8 | O=C1Nc2c(C1)cc(c(c2)Cl)CCN1CCN(CC1)c1nsc2c1cccc2 | None | |||
| 59 | 4143 | 73 | 3H-TIOTIDINE | -281 | 53 | Human | 5.5 | pKi | = | 5.5 | Binding | PDSP KiDatabase | 412 | 4 | 1 | 5 | 3.8 | O=C1Nc2c(C1)cc(c(c2)Cl)CCN1CCN(CC1)c1nsc2c1cccc2 | None | |||
| 60854 | 4143 | 73 | 3H-TIOTIDINE | -281 | 53 | Human | 5.5 | pKi | = | 5.5 | Binding | PDSP KiDatabase | 412 | 4 | 1 | 5 | 3.8 | O=C1Nc2c(C1)cc(c(c2)Cl)CCN1CCN(CC1)c1nsc2c1cccc2 | None | |||
| CHEMBL708 | 4143 | 73 | 3H-TIOTIDINE | -281 | 53 | Human | 5.5 | pKi | = | 5.5 | Binding | PDSP KiDatabase | 412 | 4 | 1 | 5 | 3.8 | O=C1Nc2c(C1)cc(c(c2)Cl)CCN1CCN(CC1)c1nsc2c1cccc2 | None | |||
| DB00246 | 4143 | 73 | 3H-TIOTIDINE | -281 | 53 | Human | 5.5 | pKi | = | 5.5 | Binding | PDSP KiDatabase | 412 | 4 | 1 | 5 | 3.8 | O=C1Nc2c(C1)cc(c(c2)Cl)CCN1CCN(CC1)c1nsc2c1cccc2 | None | |||
| 3032915 | 15495 | 24 | 3H-Histamine | -25 | 6 | Human | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | 212 | 5 | 3 | 2 | 1.2 | C/N=C(\S)NCCCCc1c[nH]cn1 | None | |||
| CHEMBL12160 | 15495 | 24 | 3H-Histamine | -25 | 6 | Human | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | 212 | 5 | 3 | 2 | 1.2 | C/N=C(\S)NCCCCc1c[nH]cn1 | None | |||
| 3032915 | 15495 | 24 | 125I-iodoaminopotentidine | -25 | 6 | Human | 5.4 | pKi | = | 5.4 | Binding | PDSP KiDatabase | 212 | 5 | 3 | 2 | 1.2 | C/N=C(\S)NCCCCc1c[nH]cn1 | None | |||
| CHEMBL12160 | 15495 | 24 | 125I-iodoaminopotentidine | -25 | 6 | Human | 5.4 | pKi | = | 5.4 | Binding | PDSP KiDatabase | 212 | 5 | 3 | 2 | 1.2 | C/N=C(\S)NCCCCc1c[nH]cn1 | None | |||
| 1204 | 1932 | 119 | None | -173 | 24 | Human | 8.4 | pKi | = | 8.4 | Binding | Drug Central | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | None | |||
| 1247 | 1932 | 119 | None | -173 | 24 | Human | 8.4 | pKi | = | 8.4 | Binding | Drug Central | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | None | |||
| 1375 | 1932 | 119 | None | -173 | 24 | Human | 8.4 | pKi | = | 8.4 | Binding | Drug Central | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | None | |||
| 774 | 1932 | 119 | None | -173 | 24 | Human | 8.4 | pKi | = | 8.4 | Binding | Drug Central | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | None | |||
| CHEMBL90 | 1932 | 119 | None | -173 | 24 | Human | 8.4 | pKi | = | 8.4 | Binding | Drug Central | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | None | |||
| DB05381 | 1932 | 119 | None | -173 | 24 | Human | 8.4 | pKi | = | 8.4 | Binding | Drug Central | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | None | |||
| 18609376 | 204359 | 63 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 386 | 2 | 0 | 4 | 4.7 | CC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3C[C@H](C)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C | None | |||
| 6279 | 204359 | 63 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 386 | 2 | 0 | 4 | 4.7 | CC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3C[C@H](C)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C | None | |||
| CHEMBL717 | 204359 | 63 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 386 | 2 | 0 | 4 | 4.7 | CC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3C[C@H](C)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C | None | |||
| 3823 | 50221 | 42 | None | -66 | 10 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 530 | 7 | 0 | 7 | 4.2 | CC(=O)N1CCN(c2ccc(OCC3COC(Cn4ccnc4)(c4ccc(Cl)cc4Cl)O3)cc2)CC1 | None | |||
| 76973198 | 50221 | 42 | None | -66 | 10 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 530 | 7 | 0 | 7 | 4.2 | CC(=O)N1CCN(c2ccc(OCC3COC(Cn4ccnc4)(c4ccc(Cl)cc4Cl)O3)cc2)CC1 | None | |||
| CHEMBL157101 | 50221 | 42 | None | -66 | 10 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 530 | 7 | 0 | 7 | 4.2 | CC(=O)N1CCN(c2ccc(OCC3COC(Cn4ccnc4)(c4ccc(Cl)cc4Cl)O3)cc2)CC1 | None | |||
| 104903 | 56344 | 17 | None | -5 | 6 | Human | 8.3 | pKi | = | 8.3 | 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 | -5 | 6 | Human | 8.3 | pKi | = | 8.3 | 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 | |||
| 5048 | 3133 | 64 | None | -114 | 7 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 295 | 8 | 0 | 2 | 4.2 | Clc1ccc(cc1)CCCOCCCN1CCCCC1 | None | |||
| 8924 | 3133 | 64 | None | -114 | 7 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 295 | 8 | 0 | 2 | 4.2 | Clc1ccc(cc1)CCCOCCCN1CCCCC1 | None | |||
| 9948102 | 3133 | 64 | None | -114 | 7 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 295 | 8 | 0 | 2 | 4.2 | Clc1ccc(cc1)CCCOCCCN1CCCCC1 | None | |||
| CHEMBL462605 | 3133 | 64 | None | -114 | 7 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 295 | 8 | 0 | 2 | 4.2 | Clc1ccc(cc1)CCCOCCCN1CCCCC1 | None | |||
| DB11642 | 3133 | 64 | None | -114 | 7 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 295 | 8 | 0 | 2 | 4.2 | Clc1ccc(cc1)CCCOCCCN1CCCCC1 | None | |||
| 176 | 398 | 66 | None | -6 | 31 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 645 | 11 | 0 | 4 | 6.9 | CCCCc1oc2c(c1C(=O)c1cc(I)c(c(c1)I)OCCN(CC)CC)cccc2 | None | |||
| 2157 | 398 | 66 | None | -6 | 31 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 645 | 11 | 0 | 4 | 6.9 | CCCCc1oc2c(c1C(=O)c1cc(I)c(c(c1)I)OCCN(CC)CC)cccc2 | None | |||
| 2566 | 398 | 66 | None | -6 | 31 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 645 | 11 | 0 | 4 | 6.9 | CCCCc1oc2c(c1C(=O)c1cc(I)c(c(c1)I)OCCN(CC)CC)cccc2 | None | |||
| CHEMBL633 | 398 | 66 | None | -6 | 31 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 645 | 11 | 0 | 4 | 6.9 | CCCCc1oc2c(c1C(=O)c1cc(I)c(c(c1)I)OCCN(CC)CC)cccc2 | None | |||
| DB01118 | 398 | 66 | None | -6 | 31 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 645 | 11 | 0 | 4 | 6.9 | CCCCc1oc2c(c1C(=O)c1cc(I)c(c(c1)I)OCCN(CC)CC)cccc2 | None | |||
| 11954259 | 215979 | 0 | 3H-TIOTIDINE | -1348 | 43 | Human | 6.4 | pKi | = | 6.4 | 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 | |||
| 135398745 | 2914 | 112 | 3H-TIOTIDINE | -9 | 65 | Human | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | None | |||
| 47 | 2914 | 112 | 3H-TIOTIDINE | -9 | 65 | Human | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | None | |||
| CHEMBL715 | 2914 | 112 | 3H-TIOTIDINE | -9 | 65 | Human | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | None | |||
| DB00334 | 2914 | 112 | 3H-TIOTIDINE | -9 | 65 | Human | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | None | |||
| 1016 | 3747 | 78 | None | -41 | 35 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 371 | 8 | 0 | 2 | 6.0 | CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1 | None | |||
| 2561 | 3747 | 78 | None | -41 | 35 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 371 | 8 | 0 | 2 | 6.0 | CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1 | None | |||
| 2733526 | 3747 | 78 | None | -41 | 35 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 371 | 8 | 0 | 2 | 6.0 | CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1 | None | |||
| 5384 | 3747 | 78 | None | -41 | 35 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 371 | 8 | 0 | 2 | 6.0 | CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1 | None | |||
| CHEMBL83 | 3747 | 78 | None | -41 | 35 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 371 | 8 | 0 | 2 | 6.0 | CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1 | None | |||
| DB00675 | 3747 | 78 | None | -41 | 35 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 371 | 8 | 0 | 2 | 6.0 | CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1 | None | |||
| 1210 | 918 | 51 | None | -446 | 21 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 274 | 5 | 0 | 2 | 3.8 | CN(CC[C@H](c1ccccn1)c1ccc(cc1)Cl)C | None | |||
| 1213 | 918 | 51 | None | -446 | 21 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 274 | 5 | 0 | 2 | 3.8 | CN(CC[C@H](c1ccccn1)c1ccc(cc1)Cl)C | None | |||
| 2725 | 918 | 51 | None | -446 | 21 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 274 | 5 | 0 | 2 | 3.8 | CN(CC[C@H](c1ccccn1)c1ccc(cc1)Cl)C | None | |||
| 33036 | 918 | 51 | None | -446 | 21 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 274 | 5 | 0 | 2 | 3.8 | CN(CC[C@H](c1ccccn1)c1ccc(cc1)Cl)C | None | |||
| 4411 | 918 | 51 | None | -446 | 21 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 274 | 5 | 0 | 2 | 3.8 | CN(CC[C@H](c1ccccn1)c1ccc(cc1)Cl)C | None | |||
| 616 | 918 | 51 | None | -446 | 21 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 274 | 5 | 0 | 2 | 3.8 | CN(CC[C@H](c1ccccn1)c1ccc(cc1)Cl)C | None | |||
| 6976 | 918 | 51 | None | -446 | 21 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 274 | 5 | 0 | 2 | 3.8 | CN(CC[C@H](c1ccccn1)c1ccc(cc1)Cl)C | None | |||
| 716121 | 918 | 51 | None | -446 | 21 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 274 | 5 | 0 | 2 | 3.8 | CN(CC[C@H](c1ccccn1)c1ccc(cc1)Cl)C | None | |||
| CHEMBL1201353 | 918 | 51 | None | -446 | 21 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 274 | 5 | 0 | 2 | 3.8 | CN(CC[C@H](c1ccccn1)c1ccc(cc1)Cl)C | None | |||
| CHEMBL1554789 | 918 | 51 | None | -446 | 21 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 274 | 5 | 0 | 2 | 3.8 | CN(CC[C@H](c1ccccn1)c1ccc(cc1)Cl)C | None | |||
| CHEMBL505 | 918 | 51 | None | -446 | 21 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 274 | 5 | 0 | 2 | 3.8 | CN(CC[C@H](c1ccccn1)c1ccc(cc1)Cl)C | None | |||
| DB01114 | 918 | 51 | None | -446 | 21 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 274 | 5 | 0 | 2 | 3.8 | CN(CC[C@H](c1ccccn1)c1ccc(cc1)Cl)C | None | |||
| DB13679 | 918 | 51 | None | -446 | 21 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 274 | 5 | 0 | 2 | 3.8 | CN(CC[C@H](c1ccccn1)c1ccc(cc1)Cl)C | None | |||
| 4601 | 206747 | 35 | None | -7 | 16 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 269 | 6 | 0 | 2 | 3.7 | Cc1ccccc1C(OCCN(C)C)c1ccccc1 | None | |||
| CHEMBL1201023 | 206747 | 35 | None | -7 | 16 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 269 | 6 | 0 | 2 | 3.7 | Cc1ccccc1C(OCCN(C)C)c1ccccc1 | None | |||
| CHEMBL900 | 206747 | 35 | None | -7 | 16 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 269 | 6 | 0 | 2 | 3.7 | Cc1ccccc1C(OCCN(C)C)c1ccccc1 | None | |||
| 4189 | 206922 | 96 | None | -36 | 34 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 414 | 6 | 0 | 3 | 6.5 | Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1 | None | |||
| CHEMBL1559 | 206922 | 96 | None | -36 | 34 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 414 | 6 | 0 | 3 | 6.5 | Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1 | None | |||
| CHEMBL91 | 206922 | 96 | None | -36 | 34 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 414 | 6 | 0 | 3 | 6.5 | Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1 | None | |||
| 2812 | 4779 | 101 | None | -33 | 34 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 344 | 4 | 0 | 2 | 5.4 | Clc1ccccc1C(c1ccccc1)(c1ccccc1)n1ccnc1 | None | |||
| CHEMBL104 | 4779 | 101 | None | -33 | 34 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 344 | 4 | 0 | 2 | 5.4 | Clc1ccccc1C(c1ccccc1)(c1ccccc1)n1ccnc1 | None | |||
| 1530 | 2182 | 50 | None | -151 | 21 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 309 | 0 | 0 | 3 | 4.0 | CN1CCC(=C2c3ccccc3CC(=O)c3c2ccs3)CC1 | None | |||
| 3827 | 2182 | 50 | None | -151 | 21 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 309 | 0 | 0 | 3 | 4.0 | CN1CCC(=C2c3ccccc3CC(=O)c3c2ccs3)CC1 | None | |||
| 7206 | 2182 | 50 | None | -151 | 21 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 309 | 0 | 0 | 3 | 4.0 | CN1CCC(=C2c3ccccc3CC(=O)c3c2ccs3)CC1 | None | |||
| CHEMBL534 | 2182 | 50 | None | -151 | 21 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 309 | 0 | 0 | 3 | 4.0 | CN1CCC(=C2c3ccccc3CC(=O)c3c2ccs3)CC1 | None | |||
| DB00920 | 2182 | 50 | None | -151 | 21 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 309 | 0 | 0 | 3 | 4.0 | CN1CCC(=C2c3ccccc3CC(=O)c3c2ccs3)CC1 | None | |||
| 237 | 204865 | 48 | None | -3 | 13 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 399 | 9 | 1 | 4 | 6.0 | CCN(CC)CCCC(C)Nc1c2ccc(Cl)cc2nc2ccc(OC)cc12 | None | |||
| CHEMBL546257 | 204865 | 48 | None | -3 | 13 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 399 | 9 | 1 | 4 | 6.0 | CCN(CC)CCCC(C)Nc1c2ccc(Cl)cc2nc2ccc(OC)cc12 | None | |||
| CHEMBL554190 | 204865 | 48 | None | -3 | 13 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 399 | 9 | 1 | 4 | 6.0 | CCN(CC)CCCC(C)Nc1c2ccc(Cl)cc2nc2ccc(OC)cc12 | None | |||
| CHEMBL7568 | 204865 | 48 | None | -3 | 13 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 399 | 9 | 1 | 4 | 6.0 | CCN(CC)CCCC(C)Nc1c2ccc(Cl)cc2nc2ccc(OC)cc12 | None | |||
| 2865 | 4143 | 73 | None | -281 | 53 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 412 | 4 | 1 | 5 | 3.8 | O=C1Nc2c(C1)cc(c(c2)Cl)CCN1CCN(CC1)c1nsc2c1cccc2 | None | |||
| 59 | 4143 | 73 | None | -281 | 53 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 412 | 4 | 1 | 5 | 3.8 | O=C1Nc2c(C1)cc(c(c2)Cl)CCN1CCN(CC1)c1nsc2c1cccc2 | None | |||
| 60854 | 4143 | 73 | None | -281 | 53 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 412 | 4 | 1 | 5 | 3.8 | O=C1Nc2c(C1)cc(c(c2)Cl)CCN1CCN(CC1)c1nsc2c1cccc2 | None | |||
| CHEMBL708 | 4143 | 73 | None | -281 | 53 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 412 | 4 | 1 | 5 | 3.8 | O=C1Nc2c(C1)cc(c(c2)Cl)CCN1CCN(CC1)c1nsc2c1cccc2 | None | |||
| DB00246 | 4143 | 73 | None | -281 | 53 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 412 | 4 | 1 | 5 | 3.8 | O=C1Nc2c(C1)cc(c(c2)Cl)CCN1CCN(CC1)c1nsc2c1cccc2 | None | |||
| 213 | 3853 | 55 | None | -12 | 44 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 371 | 5 | 0 | 6 | 2.4 | Clc1cccc(c1)N1CCN(CC1)CCCn1nc2n(c1=O)cccc2 | None | |||
| 2717 | 3853 | 55 | None | -12 | 44 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 371 | 5 | 0 | 6 | 2.4 | Clc1cccc(c1)N1CCN(CC1)CCCn1nc2n(c1=O)cccc2 | None | |||
| 5533 | 3853 | 55 | None | -12 | 44 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 371 | 5 | 0 | 6 | 2.4 | Clc1cccc(c1)N1CCN(CC1)CCCn1nc2n(c1=O)cccc2 | None | |||
| CHEMBL621 | 3853 | 55 | None | -12 | 44 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 371 | 5 | 0 | 6 | 2.4 | Clc1cccc(c1)N1CCN(CC1)CCCn1nc2n(c1=O)cccc2 | None | |||
| DB00656 | 3853 | 55 | None | -12 | 44 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 371 | 5 | 0 | 6 | 2.4 | Clc1cccc(c1)N1CCN(CC1)CCCn1nc2n(c1=O)cccc2 | None | |||
| 1599 | 2341 | 50 | None | -154 | 16 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 476 | 7 | 1 | 3 | 5.1 | Clc1ccc(cc1)C1(O)CCN(CC1)CCC(C(=O)N(C)C)(c1ccccc1)c1ccccc1 | None | |||
| 3955 | 2341 | 50 | None | -154 | 16 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 476 | 7 | 1 | 3 | 5.1 | Clc1ccc(cc1)C1(O)CCN(CC1)CCC(C(=O)N(C)C)(c1ccccc1)c1ccccc1 | None | |||
| 7215 | 2341 | 50 | None | -154 | 16 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 476 | 7 | 1 | 3 | 5.1 | Clc1ccc(cc1)C1(O)CCN(CC1)CCC(C(=O)N(C)C)(c1ccccc1)c1ccccc1 | None | |||
| CHEMBL841 | 2341 | 50 | None | -154 | 16 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 476 | 7 | 1 | 3 | 5.1 | Clc1ccc(cc1)C1(O)CCN(CC1)CCC(C(=O)N(C)C)(c1ccccc1)c1ccccc1 | None | |||
| DB00836 | 2341 | 50 | None | -154 | 16 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 476 | 7 | 1 | 3 | 5.1 | Clc1ccc(cc1)C1(O)CCN(CC1)CCC(C(=O)N(C)C)(c1ccccc1)c1ccccc1 | None | |||
| 3191 | 102858 | 97 | None | -24 | 25 | Human | 8.3 | pKi | = | 8.3 | 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 | -24 | 25 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 469 | 9 | 0 | 3 | 7.2 | CC(C)(C)c1ccc(C(=O)CCCN2CCC(OC(c3ccccc3)c3ccccc3)CC2)cc1 | None | |||
| 2284 | 3182 | 33 | None | -53 | 29 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 284 | 4 | 0 | 3 | 4.2 | CN(CCCN1c2ccccc2Sc2c1cccc2)C | None | |||
| 4926 | 3182 | 33 | None | -53 | 29 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 284 | 4 | 0 | 3 | 4.2 | CN(CCCN1c2ccccc2Sc2c1cccc2)C | None | |||
| 7281 | 3182 | 33 | None | -53 | 29 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 284 | 4 | 0 | 3 | 4.2 | CN(CCCN1c2ccccc2Sc2c1cccc2)C | None | |||
| CHEMBL564 | 3182 | 33 | None | -53 | 29 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 284 | 4 | 0 | 3 | 4.2 | CN(CCCN1c2ccccc2Sc2c1cccc2)C | None | |||
| DB00420 | 3182 | 33 | None | -53 | 29 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 284 | 4 | 0 | 3 | 4.2 | CN(CCCN1c2ccccc2Sc2c1cccc2)C | None | |||
| 2520 | 204008 | 70 | None | -20 | 12 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 454 | 13 | 0 | 6 | 5.1 | COc1ccc(CCN(C)CCCC(C#N)(c2ccc(OC)c(OC)c2)C(C)C)cc1OC | None | |||
| CHEMBL1280 | 204008 | 70 | None | -20 | 12 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 454 | 13 | 0 | 6 | 5.1 | COc1ccc(CCN(C)CCCC(C#N)(c2ccc(OC)c(OC)c2)C(C)C)cc1OC | None | |||
| CHEMBL6966 | 204008 | 70 | None | -20 | 12 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 454 | 13 | 0 | 6 | 5.1 | COc1ccc(CCN(C)CCCC(C#N)(c2ccc(OC)c(OC)c2)C(C)C)cc1OC | None | |||
| 1971 | 2866 | 38 | None | -22 | 30 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 263 | 3 | 1 | 1 | 3.8 | CNCCC=C1c2ccccc2CCc2c1cccc2 | None | |||
| 2404 | 2866 | 38 | None | -22 | 30 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 263 | 3 | 1 | 1 | 3.8 | CNCCC=C1c2ccccc2CCc2c1cccc2 | None | |||
| 4543 | 2866 | 38 | None | -22 | 30 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 263 | 3 | 1 | 1 | 3.8 | CNCCC=C1c2ccccc2CCc2c1cccc2 | None | |||
| CHEMBL445 | 2866 | 38 | None | -22 | 30 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 263 | 3 | 1 | 1 | 3.8 | CNCCC=C1c2ccccc2CCc2c1cccc2 | None | |||
| DB00540 | 2866 | 38 | None | -22 | 30 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 263 | 3 | 1 | 1 | 3.8 | CNCCC=C1c2ccccc2CCc2c1cccc2 | None | |||
| 2398 | 954 | 62 | None | -13 | 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 | -13 | 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 | -13 | 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 | -13 | 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 | -13 | 29 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 314 | 4 | 0 | 2 | 4.5 | CN(CCCN1c2ccccc2CCc2c1cc(Cl)cc2)C | None | |||
| 5291 | 207437 | 120 | None | -1 | 2 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 493 | 7 | 2 | 7 | 4.6 | Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1 | None | |||
| CHEMBL941 | 207437 | 120 | None | -1 | 2 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 493 | 7 | 2 | 7 | 4.6 | Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1 | None | |||
| 1225 | 1471 | 26 | None | -20 | 22 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 279 | 3 | 0 | 2 | 4.0 | CN(CC/C=C\1/c2ccccc2OCc2c1cccc2)C | None | |||
| 3958 | 1471 | 26 | None | -20 | 22 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 279 | 3 | 0 | 2 | 4.0 | CN(CC/C=C\1/c2ccccc2OCc2c1cccc2)C | None | |||
| 667477 | 1471 | 26 | None | -20 | 22 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 279 | 3 | 0 | 2 | 4.0 | CN(CC/C=C\1/c2ccccc2OCc2c1cccc2)C | None | |||
| CHEMBL860 | 1471 | 26 | None | -20 | 22 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 279 | 3 | 0 | 2 | 4.0 | CN(CC/C=C\1/c2ccccc2OCc2c1cccc2)C | None | |||
| DB01142 | 1471 | 26 | None | -20 | 22 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 279 | 3 | 0 | 2 | 4.0 | CN(CC/C=C\1/c2ccccc2OCc2c1cccc2)C | None | |||
| 2247 | 505 | 81 | None | -56 | 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 | -56 | 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 | -56 | 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 | -56 | 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 | -56 | 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 | |||
| 3042 | 1414 | 35 | None | -53 | 14 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 309 | 7 | 0 | 3 | 4.4 | CCN(CCOC(=O)C1(CCCCC1)C1CCCCC1)CC | None | |||
| 355 | 1414 | 35 | None | -53 | 14 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 309 | 7 | 0 | 3 | 4.4 | CCN(CCOC(=O)C1(CCCCC1)C1CCCCC1)CC | None | |||
| 868 | 1414 | 35 | None | -53 | 14 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 309 | 7 | 0 | 3 | 4.4 | CCN(CCOC(=O)C1(CCCCC1)C1CCCCC1)CC | None | |||
| CHEMBL1123 | 1414 | 35 | None | -53 | 14 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 309 | 7 | 0 | 3 | 4.4 | CCN(CCOC(=O)C1(CCCCC1)C1CCCCC1)CC | None | |||
| DB00804 | 1414 | 35 | None | -53 | 14 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 309 | 7 | 0 | 3 | 4.4 | CCN(CCOC(=O)C1(CCCCC1)C1CCCCC1)CC | None | |||
| 3198 | 205513 | 76 | None | -19 | 34 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 380 | 6 | 0 | 3 | 5.8 | Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1 | None | |||
| CHEMBL1201049 | 205513 | 76 | None | -19 | 34 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 380 | 6 | 0 | 3 | 5.8 | Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1 | None | |||
| CHEMBL808 | 205513 | 76 | None | -19 | 34 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 380 | 6 | 0 | 3 | 5.8 | Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1 | None | |||
| 57469 | 18866 | 125 | None | -1 | 3 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 240 | 2 | 1 | 4 | 2.8 | CC(C)Cn1cnc2c(N)nc3ccccc3c21 | None | |||
| CHEMBL1282 | 18866 | 125 | None | -1 | 3 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 240 | 2 | 1 | 4 | 2.8 | CC(C)Cn1cnc2c(N)nc3ccccc3c21 | None | |||
| 1231 | 937 | 116 | None | 1 | 7 | Rat | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 252 | 5 | 3 | 4 | 0.6 | N#CNC(=NC)NCCSCc1nc[nH]c1C | None | |||
| 2756 | 937 | 116 | None | 1 | 7 | Rat | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 252 | 5 | 3 | 4 | 0.6 | N#CNC(=NC)NCCSCc1nc[nH]c1C | None | |||
| 645 | 937 | 116 | None | 1 | 7 | Rat | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 252 | 5 | 3 | 4 | 0.6 | N#CNC(=NC)NCCSCc1nc[nH]c1C | None | |||
| CHEMBL30 | 937 | 116 | None | 1 | 7 | Rat | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 252 | 5 | 3 | 4 | 0.6 | N#CNC(=NC)NCCSCc1nc[nH]c1C | None | |||
| DB00501 | 937 | 116 | None | 1 | 7 | Rat | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 252 | 5 | 3 | 4 | 0.6 | N#CNC(=NC)NCCSCc1nc[nH]c1C | None | |||
| 1201549 | 597 | 24 | None | -74 | 20 | Human | 8.2 | pKi | = | 8.2 | 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 | -74 | 20 | Human | 8.2 | pKi | = | 8.2 | 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 | -74 | 20 | Human | 8.2 | pKi | = | 8.2 | 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 | -74 | 20 | Human | 8.2 | pKi | = | 8.2 | 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 | -74 | 20 | Human | 8.2 | pKi | = | 8.2 | 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 | -74 | 20 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 307 | 4 | 0 | 2 | 4.4 | CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(c1ccccc1)c1ccccc1 | None | |||
| 2286 | 3183 | 51 | None | -26 | 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 | -26 | 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 | -26 | 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 | -26 | 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 | -26 | 30 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 284 | 3 | 0 | 3 | 4.2 | CN(C(CN1c2ccccc2Sc2c1cccc2)C)C | None | |||
| 11057 | 176149 | 23 | None | -2 | 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 | -2 | 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 | -2 | 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 | -2 | 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 | |||
| 124087 | 1389 | 114 | None | -29 | 15 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 310 | 0 | 1 | 2 | 4.0 | Clc1ccc2c(c1)CCc1c(C2=C2CCNCC2)nccc1 | None | |||
| 7157 | 1389 | 114 | None | -29 | 15 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 310 | 0 | 1 | 2 | 4.0 | Clc1ccc2c(c1)CCc1c(C2=C2CCNCC2)nccc1 | None | |||
| 814 | 1389 | 114 | None | -29 | 15 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 310 | 0 | 1 | 2 | 4.0 | Clc1ccc2c(c1)CCc1c(C2=C2CCNCC2)nccc1 | None | |||
| CHEMBL1172 | 1389 | 114 | None | -29 | 15 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 310 | 0 | 1 | 2 | 4.0 | Clc1ccc2c(c1)CCc1c(C2=C2CCNCC2)nccc1 | None | |||
| DB00967 | 1389 | 114 | None | -29 | 15 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 310 | 0 | 1 | 2 | 4.0 | Clc1ccc2c(c1)CCc1c(C2=C2CCNCC2)nccc1 | None | |||
| 1588 | 2325 | 27 | None | -223 | 44 | Human | 8.2 | pKi | = | 8.2 | 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 | -223 | 44 | Human | 8.2 | pKi | = | 8.2 | 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 | -223 | 44 | Human | 8.2 | pKi | = | 8.2 | 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 | -223 | 44 | Human | 8.2 | pKi | = | 8.2 | 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 | -223 | 44 | Human | 8.2 | pKi | = | 8.2 | 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 | |||
| 103 | 4153 | 61 | 3H-TIOTIDINE | -46 | 53 | Human | 6.3 | pKi | = | 6.3 | Binding | PDSP KiDatabase | 331 | 4 | 0 | 3 | 4.9 | CN(CCOC1=Cc2ccccc2Sc2c1cc(Cl)cc2)C | None | |||
| 2875 | 4153 | 61 | 3H-TIOTIDINE | -46 | 53 | Human | 6.3 | pKi | = | 6.3 | Binding | PDSP KiDatabase | 331 | 4 | 0 | 3 | 4.9 | CN(CCOC1=Cc2ccccc2Sc2c1cc(Cl)cc2)C | None | |||
| 5736 | 4153 | 61 | 3H-TIOTIDINE | -46 | 53 | Human | 6.3 | pKi | = | 6.3 | Binding | PDSP KiDatabase | 331 | 4 | 0 | 3 | 4.9 | CN(CCOC1=Cc2ccccc2Sc2c1cc(Cl)cc2)C | None | |||
| CHEMBL285802 | 4153 | 61 | 3H-TIOTIDINE | -46 | 53 | Human | 6.3 | pKi | = | 6.3 | Binding | PDSP KiDatabase | 331 | 4 | 0 | 3 | 4.9 | CN(CCOC1=Cc2ccccc2Sc2c1cc(Cl)cc2)C | None | |||
| DB09225 | 4153 | 61 | 3H-TIOTIDINE | -46 | 53 | Human | 6.3 | pKi | = | 6.3 | Binding | PDSP KiDatabase | 331 | 4 | 0 | 3 | 4.9 | CN(CCOC1=Cc2ccccc2Sc2c1cc(Cl)cc2)C | None | |||
| 1226 | 2019 | 20 | 125I-iodoaminopotentidine | -7 | 6 | Human | 6.3 | pKi | = | 6.3 | Binding | PDSP KiDatabase | 321 | 9 | 4 | 4 | 1.2 | NC(=NCCCc1cnc[nH]1)NCCSCc1nc[nH]c1C | None | |||
| 41376 | 2019 | 20 | 125I-iodoaminopotentidine | -7 | 6 | Human | 6.3 | pKi | = | 6.3 | Binding | PDSP KiDatabase | 321 | 9 | 4 | 4 | 1.2 | NC(=NCCCc1cnc[nH]1)NCCSCc1nc[nH]c1C | None | |||
| CHEMBL12608 | 2019 | 20 | 125I-iodoaminopotentidine | -7 | 6 | Human | 6.3 | pKi | = | 6.3 | Binding | PDSP KiDatabase | 321 | 9 | 4 | 4 | 1.2 | NC(=NCCCc1cnc[nH]1)NCCSCc1nc[nH]c1C | None | |||
| 1204 | 1932 | 119 | 125I-iodoaminopotentidine | -173 | 24 | Human | 4.3 | pKi | = | 4.3 | Binding | PDSP KiDatabase | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | None | |||
| 1247 | 1932 | 119 | 125I-iodoaminopotentidine | -173 | 24 | Human | 4.3 | pKi | = | 4.3 | Binding | PDSP KiDatabase | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | None | |||
| 1375 | 1932 | 119 | 125I-iodoaminopotentidine | -173 | 24 | Human | 4.3 | pKi | = | 4.3 | Binding | PDSP KiDatabase | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | None | |||
| 774 | 1932 | 119 | 125I-iodoaminopotentidine | -173 | 24 | Human | 4.3 | pKi | = | 4.3 | Binding | PDSP KiDatabase | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | None | |||
| CHEMBL90 | 1932 | 119 | 125I-iodoaminopotentidine | -173 | 24 | Human | 4.3 | pKi | = | 4.3 | Binding | PDSP KiDatabase | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | None | |||
| DB05381 | 1932 | 119 | 125I-iodoaminopotentidine | -173 | 24 | Human | 4.3 | pKi | = | 4.3 | Binding | PDSP KiDatabase | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | None | |||
| 1212 | 1662 | 50 | 3H-TIOTIDINE | -323 | 65 | Human | 6.3 | pKi | = | 6.3 | Binding | PDSP KiDatabase | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | None | |||
| 204 | 1662 | 50 | 3H-TIOTIDINE | -323 | 65 | Human | 6.3 | pKi | = | 6.3 | Binding | PDSP KiDatabase | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | None | |||
| 3372 | 1662 | 50 | 3H-TIOTIDINE | -323 | 65 | Human | 6.3 | pKi | = | 6.3 | Binding | PDSP KiDatabase | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | None | |||
| CHEMBL726 | 1662 | 50 | 3H-TIOTIDINE | -323 | 65 | Human | 6.3 | pKi | = | 6.3 | Binding | PDSP KiDatabase | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | None | |||
| DB00623 | 1662 | 50 | 3H-TIOTIDINE | -323 | 65 | Human | 6.3 | pKi | = | 6.3 | Binding | PDSP KiDatabase | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | None | |||
| 1223 | 953 | 41 | 3H-TIOTIDINE | -32359 | 11 | Human | 5.2 | pKi | = | 5.2 | Binding | PDSP KiDatabase | 308 | 6 | 2 | 3 | 3.2 | Clc1ccc(cc1)CN=C(SCCCc1cnc[nH]1)N | None | |||
| 2790 | 953 | 41 | 3H-TIOTIDINE | -32359 | 11 | Human | 5.2 | pKi | = | 5.2 | Binding | PDSP KiDatabase | 308 | 6 | 2 | 3 | 3.2 | Clc1ccc(cc1)CN=C(SCCCc1cnc[nH]1)N | None | |||
| CHEMBL14690 | 953 | 41 | 3H-TIOTIDINE | -32359 | 11 | Human | 5.2 | pKi | = | 5.2 | Binding | PDSP KiDatabase | 308 | 6 | 2 | 3 | 3.2 | Clc1ccc(cc1)CN=C(SCCCc1cnc[nH]1)N | None | |||
| 135 | 2532 | 43 | None | -39 | 58 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | None | |||
| 1796 | 2532 | 43 | None | -39 | 58 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | None | |||
| 4184 | 2532 | 43 | None | -39 | 58 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | None | |||
| CHEMBL6437 | 2532 | 43 | None | -39 | 58 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | None | |||
| DB06148 | 2532 | 43 | None | -39 | 58 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | None | |||
| 33630 | 178957 | 99 | None | -13 | 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 | -13 | 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 | |||
| 1353 | 1911 | 93 | None | -131 | 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 | -131 | 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 | -131 | 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 | -131 | 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 | -131 | 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 | |||
| 133 | 2496 | 52 | None | -141 | 42 | Human | 8.2 | pKi | = | 8.2 | 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 | -141 | 42 | Human | 8.2 | pKi | = | 8.2 | 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 | -141 | 42 | Human | 8.2 | pKi | = | 8.2 | 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 | -141 | 42 | Human | 8.2 | pKi | = | 8.2 | 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 | -141 | 42 | Human | 8.2 | pKi | = | 8.2 | 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 | |||
| 1234 | 3291 | 68 | None | 2 | 6 | Rat | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 314 | 10 | 2 | 7 | 1.5 | CN/C(=C\[N+](=O)[O-])/NCCSCc1ccc(o1)CN(C)C | None | |||
| 3001055 | 3291 | 68 | None | 2 | 6 | Rat | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 314 | 10 | 2 | 7 | 1.5 | CN/C(=C\[N+](=O)[O-])/NCCSCc1ccc(o1)CN(C)C | None | |||
| CHEMBL512 | 3291 | 68 | None | 2 | 6 | Rat | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 314 | 10 | 2 | 7 | 1.5 | CN/C(=C\[N+](=O)[O-])/NCCSCc1ccc(o1)CN(C)C | None | |||
| DB00863 | 3291 | 68 | None | 2 | 6 | Rat | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 314 | 10 | 2 | 7 | 1.5 | CN/C(=C\[N+](=O)[O-])/NCCSCc1ccc(o1)CN(C)C | None | |||
| 1212 | 1662 | 50 | None | -323 | 65 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | None | |||
| 204 | 1662 | 50 | None | -323 | 65 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | None | |||
| 3372 | 1662 | 50 | None | -323 | 65 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | None | |||
| CHEMBL726 | 1662 | 50 | None | -323 | 65 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | None | |||
| DB00623 | 1662 | 50 | None | -323 | 65 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | None | |||
| 3389 | 217711 | 0 | None | -1 | 26 | Human | 8.2 | pKi | = | 8.2 | 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 | |||
| 103 | 4153 | 61 | None | -46 | 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 | -46 | 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 | -46 | 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 | -46 | 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 | -46 | 53 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 331 | 4 | 0 | 3 | 4.9 | CN(CCOC1=Cc2ccccc2Sc2c1cc(Cl)cc2)C | None | |||
| 212 | 3806 | 47 | None | -6 | 25 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 443 | 5 | 0 | 5 | 3.5 | CN1CCN(CC1)CC/C=C\1/c2ccccc2Sc2c1cc(cc2)S(=O)(=O)N(C)C | None | |||
| 2639 | 3806 | 47 | None | -6 | 25 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 443 | 5 | 0 | 5 | 3.5 | CN1CCN(CC1)CC/C=C\1/c2ccccc2Sc2c1cc(cc2)S(=O)(=O)N(C)C | None | |||
| 941651 | 3806 | 47 | None | -6 | 25 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 443 | 5 | 0 | 5 | 3.5 | CN1CCN(CC1)CC/C=C\1/c2ccccc2Sc2c1cc(cc2)S(=O)(=O)N(C)C | None | |||
| CHEMBL1201 | 3806 | 47 | None | -6 | 25 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 443 | 5 | 0 | 5 | 3.5 | CN1CCN(CC1)CC/C=C\1/c2ccccc2Sc2c1cc(cc2)S(=O)(=O)N(C)C | None | |||
| DB01623 | 3806 | 47 | None | -6 | 25 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 443 | 5 | 0 | 5 | 3.5 | CN1CCN(CC1)CC/C=C\1/c2ccccc2Sc2c1cc(cc2)S(=O)(=O)N(C)C | None | |||
| 4011 | 82408 | 49 | None | -27 | 24 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 277 | 4 | 1 | 1 | 4.2 | CNCCCC12CCC(c3ccccc31)c1ccccc12 | None | |||
| CHEMBL21731 | 82408 | 49 | None | -27 | 24 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 277 | 4 | 1 | 1 | 4.2 | CNCCCC12CCC(c3ccccc31)c1ccccc12 | None | |||
| 26987 | 949 | 33 | None | -177 | 21 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 343 | 6 | 0 | 2 | 5.1 | Clc1ccc(cc1)[C@@](c1ccccc1)(OCC[C@H]1CCCN1C)C | None | |||
| 6063 | 949 | 33 | None | -177 | 21 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 343 | 6 | 0 | 2 | 5.1 | Clc1ccc(cc1)[C@@](c1ccccc1)(OCC[C@H]1CCCN1C)C | None | |||
| 671 | 949 | 33 | None | -177 | 21 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 343 | 6 | 0 | 2 | 5.1 | Clc1ccc(cc1)[C@@](c1ccccc1)(OCC[C@H]1CCCN1C)C | None | |||
| CHEMBL1626 | 949 | 33 | None | -177 | 21 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 343 | 6 | 0 | 2 | 5.1 | Clc1ccc(cc1)[C@@](c1ccccc1)(OCC[C@H]1CCCN1C)C | None | |||
| DB00283 | 949 | 33 | None | -177 | 21 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 343 | 6 | 0 | 2 | 5.1 | Clc1ccc(cc1)[C@@](c1ccccc1)(OCC[C@H]1CCCN1C)C | None | |||
| 1613 | 2348 | 53 | None | -10 | 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 | -10 | 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 | -10 | 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 | -10 | 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 | -10 | 44 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 327 | 0 | 0 | 4 | 3.8 | CN1CCN(CC1)C1=Nc2ccccc2Oc2c1cc(Cl)cc2 | None | |||
| 277 | 1301 | 62 | None | -43 | 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 | -43 | 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 | -43 | 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 | -43 | 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 | -43 | 50 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 287 | 0 | 0 | 1 | 4.7 | CN1CCC(=C2c3ccccc3C=Cc3c2cccc3)CC1 | None | |||
| 4806 | 4008 | 88 | None | -5 | 13 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 298 | 3 | 1 | 3 | 3.9 | Cc1ccc(c(c1)C)Sc1ccccc1N1CCNCC1 | None | |||
| 7351 | 4008 | 88 | None | -5 | 13 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 298 | 3 | 1 | 3 | 3.9 | Cc1ccc(c(c1)C)Sc1ccccc1N1CCNCC1 | None | |||
| 9966051 | 4008 | 88 | None | -5 | 13 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 298 | 3 | 1 | 3 | 3.9 | Cc1ccc(c(c1)C)Sc1ccccc1N1CCNCC1 | None | |||
| CHEMBL2104993 | 4008 | 88 | None | -5 | 13 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 298 | 3 | 1 | 3 | 3.9 | Cc1ccc(c(c1)C)Sc1ccccc1N1CCNCC1 | None | |||
| DB09068 | 4008 | 88 | None | -5 | 13 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 298 | 3 | 1 | 3 | 3.9 | Cc1ccc(c(c1)C)Sc1ccccc1N1CCNCC1 | None | |||
| 2726 | 919 | 68 | None | -85 | 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 | -85 | 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 | -85 | 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 | -85 | 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 | -85 | 72 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | None | |||
| 135398737 | 958 | 93 | None | -64 | 89 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | |||
| 38 | 958 | 93 | None | -64 | 89 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | |||
| 722 | 958 | 93 | None | -64 | 89 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | |||
| CHEMBL42 | 958 | 93 | None | -64 | 89 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | |||
| DB00363 | 958 | 93 | None | -64 | 89 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | |||
| 100 | 3805 | 58 | None | -46 | 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 | -46 | 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 | -46 | 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 | -46 | 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 | -46 | 55 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | None | |||
| 2389 | 3331 | 118 | None | -288 | 67 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | None | |||
| 5073 | 3331 | 118 | None | -288 | 67 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | None | |||
| 96 | 3331 | 118 | None | -288 | 67 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | None | |||
| CHEMBL85 | 3331 | 118 | None | -288 | 67 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | None | |||
| DB00734 | 3331 | 118 | None | -288 | 67 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | None | |||
| 115237 | 55585 | 119 | None | -123 | 54 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 426 | 4 | 1 | 7 | 3.1 | Cc1nc2n(c(=O)c1CCN1CCC(c3noc4cc(F)ccc34)CC1)CCCC2O | None | |||
| CHEMBL1621 | 55585 | 119 | None | -123 | 54 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 426 | 4 | 1 | 7 | 3.1 | Cc1nc2n(c(=O)c1CCN1CCC(c3noc4cc(F)ccc34)CC1)CCCC2O | None | |||
| 1231 | 937 | 116 | 125I-iodoaminopotentidine | -2 | 7 | Human | 6.2 | pKi | = | 6.2 | Binding | PDSP KiDatabase | 252 | 5 | 3 | 4 | 0.6 | N#CNC(=NC)NCCSCc1nc[nH]c1C | None | |||
| 2756 | 937 | 116 | 125I-iodoaminopotentidine | -2 | 7 | Human | 6.2 | pKi | = | 6.2 | Binding | PDSP KiDatabase | 252 | 5 | 3 | 4 | 0.6 | N#CNC(=NC)NCCSCc1nc[nH]c1C | None | |||
| 645 | 937 | 116 | 125I-iodoaminopotentidine | -2 | 7 | Human | 6.2 | pKi | = | 6.2 | Binding | PDSP KiDatabase | 252 | 5 | 3 | 4 | 0.6 | N#CNC(=NC)NCCSCc1nc[nH]c1C | None | |||
| CHEMBL30 | 937 | 116 | 125I-iodoaminopotentidine | -2 | 7 | Human | 6.2 | pKi | = | 6.2 | Binding | PDSP KiDatabase | 252 | 5 | 3 | 4 | 0.6 | N#CNC(=NC)NCCSCc1nc[nH]c1C | None | |||
| DB00501 | 937 | 116 | 125I-iodoaminopotentidine | -2 | 7 | Human | 6.2 | pKi | = | 6.2 | Binding | PDSP KiDatabase | 252 | 5 | 3 | 4 | 0.6 | N#CNC(=NC)NCCSCc1nc[nH]c1C | None | |||
| 657255 | 199084 | 34 | None | -3 | 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 | -3 | 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 | |||
| 135398745 | 2914 | 112 | None | -9 | 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 | -9 | 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 | -9 | 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 | -9 | 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 | |||
| 1234 | 3291 | 68 | 125I-iodoaminopotentidine | -2 | 6 | Human | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 314 | 10 | 2 | 7 | 1.5 | CN/C(=C\[N+](=O)[O-])/NCCSCc1ccc(o1)CN(C)C | None | |||
| 3001055 | 3291 | 68 | 125I-iodoaminopotentidine | -2 | 6 | Human | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 314 | 10 | 2 | 7 | 1.5 | CN/C(=C\[N+](=O)[O-])/NCCSCc1ccc(o1)CN(C)C | None | |||
| CHEMBL512 | 3291 | 68 | 125I-iodoaminopotentidine | -2 | 6 | Human | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 314 | 10 | 2 | 7 | 1.5 | CN/C(=C\[N+](=O)[O-])/NCCSCc1ccc(o1)CN(C)C | None | |||
| DB00863 | 3291 | 68 | 125I-iodoaminopotentidine | -2 | 6 | Human | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 314 | 10 | 2 | 7 | 1.5 | CN/C(=C\[N+](=O)[O-])/NCCSCc1ccc(o1)CN(C)C | None | |||
| 5048 | 3133 | 64 | None | -114 | 7 | Human | 5.0 | pKi | = | 5.0 | Binding | Guide to Pharmacology | 295 | 8 | 0 | 2 | 4.2 | Clc1ccc(cc1)CCCOCCCN1CCCCC1 | 26084539 | |||
| 8924 | 3133 | 64 | None | -114 | 7 | Human | 5.0 | pKi | = | 5.0 | Binding | Guide to Pharmacology | 295 | 8 | 0 | 2 | 4.2 | Clc1ccc(cc1)CCCOCCCN1CCCCC1 | 26084539 | |||
| 9948102 | 3133 | 64 | None | -114 | 7 | Human | 5.0 | pKi | = | 5.0 | Binding | Guide to Pharmacology | 295 | 8 | 0 | 2 | 4.2 | Clc1ccc(cc1)CCCOCCCN1CCCCC1 | 26084539 | |||
| CHEMBL462605 | 3133 | 64 | None | -114 | 7 | Human | 5.0 | pKi | = | 5.0 | Binding | Guide to Pharmacology | 295 | 8 | 0 | 2 | 4.2 | Clc1ccc(cc1)CCCOCCCN1CCCCC1 | 26084539 | |||
| DB11642 | 3133 | 64 | None | -114 | 7 | Human | 5.0 | pKi | = | 5.0 | Binding | Guide to Pharmacology | 295 | 8 | 0 | 2 | 4.2 | Clc1ccc(cc1)CCCOCCCN1CCCCC1 | 26084539 | |||
| 1231 | 937 | 116 | None | 1 | 7 | Rat | 5.9 | pKi | = | 5.9 | Binding | Guide to Pharmacology | 252 | 5 | 3 | 4 | 0.6 | N#CNC(=NC)NCCSCc1nc[nH]c1C | 9384502 | |||
| 2756 | 937 | 116 | None | 1 | 7 | Rat | 5.9 | pKi | = | 5.9 | Binding | Guide to Pharmacology | 252 | 5 | 3 | 4 | 0.6 | N#CNC(=NC)NCCSCc1nc[nH]c1C | 9384502 | |||
| 645 | 937 | 116 | None | 1 | 7 | Rat | 5.9 | pKi | = | 5.9 | Binding | Guide to Pharmacology | 252 | 5 | 3 | 4 | 0.6 | N#CNC(=NC)NCCSCc1nc[nH]c1C | 9384502 | |||
| CHEMBL30 | 937 | 116 | None | 1 | 7 | Rat | 5.9 | pKi | = | 5.9 | Binding | Guide to Pharmacology | 252 | 5 | 3 | 4 | 0.6 | N#CNC(=NC)NCCSCc1nc[nH]c1C | 9384502 | |||
| DB00501 | 937 | 116 | None | 1 | 7 | Rat | 5.9 | pKi | = | 5.9 | Binding | Guide to Pharmacology | 252 | 5 | 3 | 4 | 0.6 | N#CNC(=NC)NCCSCc1nc[nH]c1C | 9384502 | |||
| 1234 | 3291 | 68 | None | 2 | 6 | Rat | 6.2 | pKi | = | 6.2 | Binding | Guide to Pharmacology | 314 | 10 | 2 | 7 | 1.5 | CN/C(=C\[N+](=O)[O-])/NCCSCc1ccc(o1)CN(C)C | 9384502 | |||
| 3001055 | 3291 | 68 | None | 2 | 6 | Rat | 6.2 | pKi | = | 6.2 | Binding | Guide to Pharmacology | 314 | 10 | 2 | 7 | 1.5 | CN/C(=C\[N+](=O)[O-])/NCCSCc1ccc(o1)CN(C)C | 9384502 | |||
| CHEMBL512 | 3291 | 68 | None | 2 | 6 | Rat | 6.2 | pKi | = | 6.2 | Binding | Guide to Pharmacology | 314 | 10 | 2 | 7 | 1.5 | CN/C(=C\[N+](=O)[O-])/NCCSCc1ccc(o1)CN(C)C | 9384502 | |||
| DB00863 | 3291 | 68 | None | 2 | 6 | Rat | 6.2 | pKi | = | 6.2 | Binding | Guide to Pharmacology | 314 | 10 | 2 | 7 | 1.5 | CN/C(=C\[N+](=O)[O-])/NCCSCc1ccc(o1)CN(C)C | 9384502 | |||
| 1231 | 937 | 116 | None | -2 | 7 | Human | 6.9 | pKi | = | 6.9 | Binding | Guide to Pharmacology | 252 | 5 | 3 | 4 | 0.6 | N#CNC(=NC)NCCSCc1nc[nH]c1C | 23466604 | |||
| 2756 | 937 | 116 | None | -2 | 7 | Human | 6.9 | pKi | = | 6.9 | Binding | Guide to Pharmacology | 252 | 5 | 3 | 4 | 0.6 | N#CNC(=NC)NCCSCc1nc[nH]c1C | 23466604 | |||
| 645 | 937 | 116 | None | -2 | 7 | Human | 6.9 | pKi | = | 6.9 | Binding | Guide to Pharmacology | 252 | 5 | 3 | 4 | 0.6 | N#CNC(=NC)NCCSCc1nc[nH]c1C | 23466604 | |||
| CHEMBL30 | 937 | 116 | None | -2 | 7 | Human | 6.9 | pKi | = | 6.9 | Binding | Guide to Pharmacology | 252 | 5 | 3 | 4 | 0.6 | N#CNC(=NC)NCCSCc1nc[nH]c1C | 23466604 | |||
| DB00501 | 937 | 116 | None | -2 | 7 | Human | 6.9 | pKi | = | 6.9 | Binding | Guide to Pharmacology | 252 | 5 | 3 | 4 | 0.6 | N#CNC(=NC)NCCSCc1nc[nH]c1C | 23466604 | |||
| 1234 | 3291 | 68 | None | -2 | 6 | Human | 7.1 | pKi | = | 7.1 | Binding | Guide to Pharmacology | 314 | 10 | 2 | 7 | 1.5 | CN/C(=C\[N+](=O)[O-])/NCCSCc1ccc(o1)CN(C)C | 7921611 | |||
| 3001055 | 3291 | 68 | None | -2 | 6 | Human | 7.1 | pKi | = | 7.1 | Binding | Guide to Pharmacology | 314 | 10 | 2 | 7 | 1.5 | CN/C(=C\[N+](=O)[O-])/NCCSCc1ccc(o1)CN(C)C | 7921611 | |||
| CHEMBL512 | 3291 | 68 | None | -2 | 6 | Human | 7.1 | pKi | = | 7.1 | Binding | Guide to Pharmacology | 314 | 10 | 2 | 7 | 1.5 | CN/C(=C\[N+](=O)[O-])/NCCSCc1ccc(o1)CN(C)C | 7921611 | |||
| DB00863 | 3291 | 68 | None | -2 | 6 | Human | 7.1 | pKi | = | 7.1 | Binding | Guide to Pharmacology | 314 | 10 | 2 | 7 | 1.5 | CN/C(=C\[N+](=O)[O-])/NCCSCc1ccc(o1)CN(C)C | 7921611 | |||
| 1235 | 3823 | 36 | None | 2 | 4 | Rat | 7.5 | pKi | = | 7.5 | Binding | Guide to Pharmacology | 312 | 6 | 4 | 6 | -0.1 | N#CNC(=NC)NCCSCc1csc(n1)N=C(N)N | 9384502 | |||
| 3959 | 3823 | 36 | None | 2 | 4 | Rat | 7.5 | pKi | = | 7.5 | Binding | Guide to Pharmacology | 312 | 6 | 4 | 6 | -0.1 | N#CNC(=NC)NCCSCc1csc(n1)N=C(N)N | 9384502 | |||
| 50287 | 3823 | 36 | None | 2 | 4 | Rat | 7.5 | pKi | = | 7.5 | Binding | Guide to Pharmacology | 312 | 6 | 4 | 6 | -0.1 | N#CNC(=NC)NCCSCc1csc(n1)N=C(N)N | 9384502 | |||
| CHEMBL269646 | 3823 | 36 | None | 2 | 4 | Rat | 7.5 | pKi | = | 7.5 | Binding | Guide to Pharmacology | 312 | 6 | 4 | 6 | -0.1 | N#CNC(=NC)NCCSCc1csc(n1)N=C(N)N | 9384502 | |||
| 1265 | 942 | 60 | None | -17782 | 8 | Human | 5.0 | pKi | > | 5 | Binding | Guide to Pharmacology | 270 | 7 | 1 | 3 | 3.0 | O=C(c1ccc(cc1)OCCCc1[nH]cnc1)C1CC1 | 26084539 | |||
| 6422124 | 942 | 60 | None | -17782 | 8 | Human | 5.0 | pKi | > | 5 | Binding | Guide to Pharmacology | 270 | 7 | 1 | 3 | 3.0 | O=C(c1ccc(cc1)OCCCc1[nH]cnc1)C1CC1 | 26084539 | |||
| CHEMBL14638 | 942 | 60 | None | -17782 | 8 | Human | 5.0 | pKi | > | 5 | Binding | Guide to Pharmacology | 270 | 7 | 1 | 3 | 3.0 | O=C(c1ccc(cc1)OCCCc1[nH]cnc1)C1CC1 | 26084539 | |||
| 441082 | 1163 | 48 | None | -2137 | 8 | Human | 5.0 | pKi | > | 5 | Binding | Guide to Pharmacology | 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 | 26084539 | |||
| 8981 | 1163 | 48 | None | -2137 | 8 | Human | 5.0 | pKi | > | 5 | Binding | Guide to Pharmacology | 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 | 26084539 | |||
| CHEMBL191703 | 1163 | 48 | None | -2137 | 8 | Human | 5.0 | pKi | > | 5 | Binding | Guide to Pharmacology | 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 | 26084539 | |||
| 11697697 | 2547 | 24 | None | -6309 | 6 | Human | 5.0 | pKi | > | 5 | Binding | Guide to Pharmacology | 431 | 6 | 0 | 5 | 4.6 | Cc1nc2cccc(c2c(=O)n1c1ccc(cc1)OCCCN1CCCC1)C(F)(F)F | 26084539 | |||
| 7346 | 2547 | 24 | None | -6309 | 6 | Human | 5.0 | pKi | > | 5 | Binding | Guide to Pharmacology | 431 | 6 | 0 | 5 | 4.6 | Cc1nc2cccc(c2c(=O)n1c1ccc(cc1)OCCCN1CCCC1)C(F)(F)F | 26084539 | |||
| CHEMBL476323 | 2547 | 24 | None | -6309 | 6 | Human | 5.0 | pKi | > | 5 | Binding | Guide to Pharmacology | 431 | 6 | 0 | 5 | 4.6 | Cc1nc2cccc(c2c(=O)n1c1ccc(cc1)OCCCN1CCCC1)C(F)(F)F | 26084539 | |||
| DB11910 | 2547 | 24 | None | -6309 | 6 | Human | 5.0 | pKi | > | 5 | Binding | Guide to Pharmacology | 431 | 6 | 0 | 5 | 4.6 | Cc1nc2cccc(c2c(=O)n1c1ccc(cc1)OCCCN1CCCC1)C(F)(F)F | 26084539 | |||
| 117072554 | 2023 | 0 | None | -1000 | 4 | Human | 5.3 | pKi | > | 5.3 | Binding | Guide to Pharmacology | 450 | 5 | 2 | 6 | 2.3 | CN1CCN(CC1)C1=CC(=NC(N1)N)c1ccc2c(c1)CN(CC2)C(=O)CCC1CCCC1 | 26084539 | |||
| 8982 | 2023 | 0 | None | -1000 | 4 | Human | 5.3 | pKi | > | 5.3 | Binding | Guide to Pharmacology | 450 | 5 | 2 | 6 | 2.3 | CN1CCN(CC1)C1=CC(=NC(N1)N)c1ccc2c(c1)CN(CC2)C(=O)CCC1CCCC1 | 26084539 | |||
| 24994634 | 2142 | 31 | None | -194 | 7 | Human | 6.0 | pKi | > | 6 | Binding | Guide to Pharmacology | 221 | 2 | 2 | 5 | 0.7 | N[C@@H]1CCN(C1)c1cc(nc(n1)N)C(C)C | 26084539 | |||
| 8984 | 2142 | 31 | None | -194 | 7 | Human | 6.0 | pKi | > | 6 | Binding | Guide to Pharmacology | 221 | 2 | 2 | 5 | 0.7 | N[C@@H]1CCN(C1)c1cc(nc(n1)N)C(C)C | 26084539 | |||
| CHEMBL3236549 | 2142 | 31 | None | -194 | 7 | Human | 6.0 | pKi | > | 6 | Binding | Guide to Pharmacology | 221 | 2 | 2 | 5 | 0.7 | N[C@@H]1CCN(C1)c1cc(nc(n1)N)C(C)C | 26084539 | |||
| 45257132 | 3682 | 10 | None | -83 | 4 | Human | 6.0 | pKi | > | 6 | Binding | Guide to Pharmacology | 366 | 4 | 2 | 6 | 2.7 | CN1CCN(CC1)c1cc(NCc2c(Cl)cccc2Cl)nc(n1)N | 26084539 | |||
| 8983 | 3682 | 10 | None | -83 | 4 | Human | 6.0 | pKi | > | 6 | Binding | Guide to Pharmacology | 366 | 4 | 2 | 6 | 2.7 | CN1CCN(CC1)c1cc(NCc2c(Cl)cccc2Cl)nc(n1)N | 26084539 | |||
| CHEMBL595180 | 3682 | 10 | None | -83 | 4 | Human | 6.0 | pKi | > | 6 | Binding | Guide to Pharmacology | 366 | 4 | 2 | 6 | 2.7 | CN1CCN(CC1)c1cc(NCc2c(Cl)cccc2Cl)nc(n1)N | 26084539 | |||
| 119570 | 3159 | 96 | None | -281 | 40 | Human | 8.3 | pKi | None | 8.3 | Binding | Drug Central | 211 | 3 | 2 | 4 | 1.6 | CCCN[C@H]1CCc2c(C1)sc(n2)N | None | |||
| 2233 | 3159 | 96 | None | -281 | 40 | Human | 8.3 | pKi | None | 8.3 | Binding | Drug Central | 211 | 3 | 2 | 4 | 1.6 | CCCN[C@H]1CCc2c(C1)sc(n2)N | None | |||
| 953 | 3159 | 96 | None | -281 | 40 | Human | 8.3 | pKi | None | 8.3 | Binding | Drug Central | 211 | 3 | 2 | 4 | 1.6 | CCCN[C@H]1CCc2c(C1)sc(n2)N | None | |||
| CHEMBL301265 | 3159 | 96 | None | -281 | 40 | Human | 8.3 | pKi | None | 8.3 | Binding | Drug Central | 211 | 3 | 2 | 4 | 1.6 | CCCN[C@H]1CCc2c(C1)sc(n2)N | None | |||
| DB00413 | 3159 | 96 | None | -281 | 40 | Human | 8.3 | pKi | None | 8.3 | Binding | Drug Central | 211 | 3 | 2 | 4 | 1.6 | CCCN[C@H]1CCc2c(C1)sc(n2)N | None | |||
| 1204 | 1932 | 119 | None | -316 | 24 | Rat | 3.8 | pKi | None | 3.8 | Binding | Guide to Pharmacology | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 9384502 | |||
| 1247 | 1932 | 119 | None | -316 | 24 | Rat | 3.8 | pKi | None | 3.8 | Binding | Guide to Pharmacology | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 9384502 | |||
| 1375 | 1932 | 119 | None | -316 | 24 | Rat | 3.8 | pKi | None | 3.8 | Binding | Guide to Pharmacology | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 9384502 | |||
| 774 | 1932 | 119 | None | -316 | 24 | Rat | 3.8 | pKi | None | 3.8 | Binding | Guide to Pharmacology | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 9384502 | |||
| CHEMBL90 | 1932 | 119 | None | -316 | 24 | Rat | 3.8 | pKi | None | 3.8 | Binding | Guide to Pharmacology | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 9384502 | |||
| DB05381 | 1932 | 119 | None | -316 | 24 | Rat | 3.8 | pKi | None | 3.8 | Binding | Guide to Pharmacology | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 9384502 | |||
| 1218 | 229 | 52 | None | -3548 | 4 | Human | 5.2 | pKi | None | 5.2 | Binding | Guide to Pharmacology | 330 | 4 | 0 | 3 | 5.0 | N#Cc1ccc(cc1)c1ccc2c(c1)cc(o2)CCN1CCC[C@H]1C | 15608078 | |||
| 9818903 | 229 | 52 | None | -3548 | 4 | Human | 5.2 | pKi | None | 5.2 | Binding | Guide to Pharmacology | 330 | 4 | 0 | 3 | 5.0 | N#Cc1ccc(cc1)c1ccc2c(c1)cc(o2)CCN1CCC[C@H]1C | 15608078 | |||
| CHEMBL351231 | 229 | 52 | None | -3548 | 4 | Human | 5.2 | pKi | None | 5.2 | Binding | Guide to Pharmacology | 330 | 4 | 0 | 3 | 5.0 | N#Cc1ccc(cc1)c1ccc2c(c1)cc(o2)CCN1CCC[C@H]1C | 15608078 | |||
| 1223 | 953 | 41 | None | -32359 | 11 | Human | 5.2 | pKi | None | 5.2 | Binding | Guide to Pharmacology | 308 | 6 | 2 | 3 | 3.2 | Clc1ccc(cc1)CN=C(SCCCc1cnc[nH]1)N | 12606603 | |||
| 2790 | 953 | 41 | None | -32359 | 11 | Human | 5.2 | pKi | None | 5.2 | Binding | Guide to Pharmacology | 308 | 6 | 2 | 3 | 3.2 | Clc1ccc(cc1)CN=C(SCCCc1cnc[nH]1)N | 12606603 | |||
| CHEMBL14690 | 953 | 41 | None | -32359 | 11 | Human | 5.2 | pKi | None | 5.2 | Binding | Guide to Pharmacology | 308 | 6 | 2 | 3 | 3.2 | Clc1ccc(cc1)CN=C(SCCCc1cnc[nH]1)N | 12606603 | |||
| 1229 | 743 | 0 | None | -63 | 6 | Rat | 5.5 | pKi | None | 5.5 | Binding | Guide to Pharmacology | 262 | 5 | 3 | 2 | 2.0 | CNC(=S)NCCCCc1cccc2c1cn[nH]2 | 8692899 | |||
| 5311293 | 743 | 0 | None | -63 | 6 | Rat | 5.5 | pKi | None | 5.5 | Binding | Guide to Pharmacology | 262 | 5 | 3 | 2 | 2.0 | CNC(=S)NCCCCc1cccc2c1cn[nH]2 | 8692899 | |||
| 1233 | 2515 | 0 | None | 6 | 3 | Rat | 5.8 | pKi | None | 5.8 | Binding | Guide to Pharmacology | 244 | 5 | 3 | 3 | 1.0 | CNC(=S)NCCSCc1nc[nH]c1C | 9384502 | |||
| 1548992 | 2515 | 0 | None | 6 | 3 | Rat | 5.8 | pKi | None | 5.8 | Binding | Guide to Pharmacology | 244 | 5 | 3 | 3 | 1.0 | CNC(=S)NCCSCc1nc[nH]c1C | 9384502 | |||
| CHEMBL275446 | 2515 | 0 | None | 6 | 3 | Rat | 5.8 | pKi | None | 5.8 | Binding | Guide to Pharmacology | 244 | 5 | 3 | 3 | 1.0 | CNC(=S)NCCSCc1nc[nH]c1C | 9384502 | |||
| DB08805 | 2515 | 0 | None | 6 | 3 | Rat | 5.8 | pKi | None | 5.8 | Binding | Guide to Pharmacology | 244 | 5 | 3 | 3 | 1.0 | CNC(=S)NCCSCc1nc[nH]c1C | 9384502 | |||
| 1200 | 3963 | 2 | None | 4 | 3 | Human | 6.0 | pKi | None | 6 | Binding | Guide to Pharmacology | 335 | 8 | 4 | 5 | 0.7 | O=C(NC(=NCCCc1cnc[nH]1)N)CSCc1nc[nH]c1C | 16394198 | |||
| 25149519 | 3963 | 2 | None | 4 | 3 | Human | 6.0 | pKi | None | 6 | Binding | Guide to Pharmacology | 335 | 8 | 4 | 5 | 0.7 | O=C(NC(=NCCCc1cnc[nH]1)N)CSCc1nc[nH]c1C | 16394198 | |||
| CHEMBL513056 | 3963 | 2 | None | 4 | 3 | Human | 6.0 | pKi | None | 6 | Binding | Guide to Pharmacology | 335 | 8 | 4 | 5 | 0.7 | O=C(NC(=NCCCc1cnc[nH]1)N)CSCc1nc[nH]c1C | 16394198 | |||
| 1199 | 2976 | 0 | None | 37 | 3 | Human | 7.0 | pKi | None | 7 | Binding | Guide to Pharmacology | 394 | 8 | 3 | 4 | 2.5 | NC(=NCCCc1[nH]cnc1)NC(=O)CC(c1ccccn1)c1ccc(cc1)F | 16394198 | |||
| 25149244 | 2976 | 0 | None | 37 | 3 | Human | 7.0 | pKi | None | 7 | Binding | Guide to Pharmacology | 394 | 8 | 3 | 4 | 2.5 | NC(=NCCCc1[nH]cnc1)NC(=O)CC(c1ccccn1)c1ccc(cc1)F | 16394198 | |||
| CHEMBL472273 | 2976 | 0 | None | 37 | 3 | Human | 7.0 | pKi | None | 7 | Binding | Guide to Pharmacology | 394 | 8 | 3 | 4 | 2.5 | NC(=NCCCc1[nH]cnc1)NC(=O)CC(c1ccccn1)c1ccc(cc1)F | 16394198 | |||
| 1221 | 475 | 9 | None | -2 | 3 | Human | 7.2 | pKi | None | 7.2 | Binding | Guide to Pharmacology | 380 | 9 | 3 | 3 | 3.0 | NC(=NCCCc1[nH]cnc1)NCCC(c1ccccn1)c1ccc(cc1)F | 16394198 | |||
| 65895 | 475 | 9 | None | -2 | 3 | Human | 7.2 | pKi | None | 7.2 | Binding | Guide to Pharmacology | 380 | 9 | 3 | 3 | 3.0 | NC(=NCCCc1[nH]cnc1)NCCC(c1ccccn1)c1ccc(cc1)F | 16394198 | |||
| CHEMBL293802 | 475 | 9 | None | -2 | 3 | Human | 7.2 | pKi | None | 7.2 | Binding | Guide to Pharmacology | 380 | 9 | 3 | 3 | 3.0 | NC(=NCCCc1[nH]cnc1)NCCC(c1ccccn1)c1ccc(cc1)F | 16394198 | |||
| 1226 | 2019 | 20 | None | -7 | 6 | Human | 7.2 | pKi | None | 7.2 | Binding | Guide to Pharmacology | 321 | 9 | 4 | 4 | 1.2 | NC(=NCCCc1cnc[nH]1)NCCSCc1nc[nH]c1C | 16394198 | |||
| 41376 | 2019 | 20 | None | -7 | 6 | Human | 7.2 | pKi | None | 7.2 | Binding | Guide to Pharmacology | 321 | 9 | 4 | 4 | 1.2 | NC(=NCCCc1cnc[nH]1)NCCSCc1nc[nH]c1C | 16394198 | |||
| CHEMBL12608 | 2019 | 20 | None | -7 | 6 | Human | 7.2 | pKi | None | 7.2 | Binding | Guide to Pharmacology | 321 | 9 | 4 | 4 | 1.2 | NC(=NCCCc1cnc[nH]1)NCCSCc1nc[nH]c1C | 16394198 | |||
| 1232 | 2056 | 6 | None | - | 1 | Rat | 9.2 | pKi | None | 9.2 | Binding | Guide to Pharmacology | 603 | 11 | 4 | 6 | 3.1 | N#CNC(=NCCCOc1cccc(c1)CN1CCCCC1)NCCNC(=O)c1ccc(c(c1)I)N | 9384502 | |||
| 181461 | 2056 | 6 | None | - | 1 | Rat | 9.2 | pKi | None | 9.2 | Binding | Guide to Pharmacology | 603 | 11 | 4 | 6 | 3.1 | N#CNC(=NCCCOc1cccc(c1)CN1CCCCC1)NCCNC(=O)c1ccc(c(c1)I)N | 9384502 | |||
| CHEMBL72193 | 2056 | 6 | None | - | 1 | Rat | 9.2 | pKi | None | 9.2 | Binding | Guide to Pharmacology | 603 | 11 | 4 | 6 | 3.1 | N#CNC(=NCCCOc1cccc(c1)CN1CCCCC1)NCCNC(=O)c1ccc(c(c1)I)N | 9384502 | |||