Ligand source activities (1 row/activity)
Ligands (move mouse cursor over ligand name to see structure) | Receptor | Activity | Chemical information | |||||||||||||||||||
---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Sel. page | Common name |
GPCRdb ID |
Reference ligand |
Vendors |
Species |
Assay Type |
Activity Type |
Activity Relation |
Activity Value |
p-value (-log) |
Fold selectivity |
Tested GPCRs |
Assay Description |
Source |
Mol weight |
Rot Bonds |
H don |
H acc |
LogP |
Smiles |
DOI |
|
1153 | 1628 | None | 36 | Human | Functional | pAC50 | = | 9.7 | 9.7 | 6 | 12 | ChEMBL | 305 | 1 | 4 | 4 | 2.7 | Oc1ccc(cc1)C1CNCCc2c1cc(O)c(c2Cl)O | 10.1038/s41467-023-40064-9 | |||
12668023 | 1628 | None | 36 | Human | Functional | pAC50 | = | 9.7 | 9.7 | 6 | 12 | ChEMBL | 305 | 1 | 4 | 4 | 2.7 | Oc1ccc(cc1)C1CNCCc2c1cc(O)c(c2Cl)O | 10.1038/s41467-023-40064-9 | |||
30026874 | 1628 | None | 36 | Human | Functional | pAC50 | = | 9.7 | 9.7 | 6 | 12 | ChEMBL | 305 | 1 | 4 | 4 | 2.7 | Oc1ccc(cc1)C1CNCCc2c1cc(O)c(c2Cl)O | 10.1038/s41467-023-40064-9 | |||
30026875 | 1628 | None | 36 | Human | Functional | pAC50 | = | 9.7 | 9.7 | 6 | 12 | ChEMBL | 305 | 1 | 4 | 4 | 2.7 | Oc1ccc(cc1)C1CNCCc2c1cc(O)c(c2Cl)O | 10.1038/s41467-023-40064-9 | |||
3341 | 1628 | None | 36 | Human | Functional | pAC50 | = | 9.7 | 9.7 | 6 | 12 | ChEMBL | 305 | 1 | 4 | 4 | 2.7 | Oc1ccc(cc1)C1CNCCc2c1cc(O)c(c2Cl)O | 10.1038/s41467-023-40064-9 | |||
3341.0 | 1628 | None | 36 | Human | Functional | pAC50 | = | 9.7 | 9.7 | 6 | 12 | ChEMBL | 305 | 1 | 4 | 4 | 2.7 | Oc1ccc(cc1)C1CNCCc2c1cc(O)c(c2Cl)O | 10.1038/s41467-023-40064-9 | |||
6603851 | 1628 | None | 36 | Human | Functional | pAC50 | = | 9.7 | 9.7 | 6 | 12 | ChEMBL | 305 | 1 | 4 | 4 | 2.7 | Oc1ccc(cc1)C1CNCCc2c1cc(O)c(c2Cl)O | 10.1038/s41467-023-40064-9 | |||
933 | 1628 | None | 36 | Human | Functional | pAC50 | = | 9.7 | 9.7 | 6 | 12 | ChEMBL | 305 | 1 | 4 | 4 | 2.7 | Oc1ccc(cc1)C1CNCCc2c1cc(O)c(c2Cl)O | 10.1038/s41467-023-40064-9 | |||
939 | 1628 | None | 36 | Human | Functional | pAC50 | = | 9.7 | 9.7 | 6 | 12 | ChEMBL | 305 | 1 | 4 | 4 | 2.7 | Oc1ccc(cc1)C1CNCCc2c1cc(O)c(c2Cl)O | 10.1038/s41467-023-40064-9 | |||
985 | 1628 | None | 36 | Human | Functional | pAC50 | = | 9.7 | 9.7 | 6 | 12 | ChEMBL | 305 | 1 | 4 | 4 | 2.7 | Oc1ccc(cc1)C1CNCCc2c1cc(O)c(c2Cl)O | 10.1038/s41467-023-40064-9 | |||
CHEMBL1160786 | 1628 | None | 36 | Human | Functional | pAC50 | = | 9.7 | 9.7 | 6 | 12 | ChEMBL | 305 | 1 | 4 | 4 | 2.7 | Oc1ccc(cc1)C1CNCCc2c1cc(O)c(c2Cl)O | 10.1038/s41467-023-40064-9 | |||
CHEMBL1161520 | 1628 | None | 36 | Human | Functional | pAC50 | = | 9.7 | 9.7 | 6 | 12 | ChEMBL | 305 | 1 | 4 | 4 | 2.7 | Oc1ccc(cc1)C1CNCCc2c1cc(O)c(c2Cl)O | 10.1038/s41467-023-40064-9 | |||
CHEMBL588 | 1628 | None | 36 | Human | Functional | pAC50 | = | 9.7 | 9.7 | 6 | 12 | ChEMBL | 305 | 1 | 4 | 4 | 2.7 | Oc1ccc(cc1)C1CNCCc2c1cc(O)c(c2Cl)O | 10.1038/s41467-023-40064-9 | |||
DB00800 | 1628 | None | 36 | Human | Functional | pAC50 | = | 9.7 | 9.7 | 6 | 12 | ChEMBL | 305 | 1 | 4 | 4 | 2.7 | Oc1ccc(cc1)C1CNCCc2c1cc(O)c(c2Cl)O | 10.1038/s41467-023-40064-9 | |||
2407 | 3372 | None | 50 | Human | Functional | pAC50 | = | 9 | 9.0 | -7 | 17 | ChEMBL | 315 | 6 | 1 | 3 | 4.3 | CCCN([C@H]1CCc2c(C1)cccc2O)CCc1cccs1 | 10.1038/s41467-023-40064-9 | |||
59227 | 3372 | None | 50 | Human | Functional | pAC50 | = | 9 | 9.0 | -7 | 17 | ChEMBL | 315 | 6 | 1 | 3 | 4.3 | CCCN([C@H]1CCc2c(C1)cccc2O)CCc1cccs1 | 10.1038/s41467-023-40064-9 | |||
59227.0 | 3372 | None | 50 | Human | Functional | pAC50 | = | 9 | 9.0 | -7 | 17 | ChEMBL | 315 | 6 | 1 | 3 | 4.3 | CCCN([C@H]1CCc2c(C1)cccc2O)CCc1cccs1 | 10.1038/s41467-023-40064-9 | |||
941 | 3372 | None | 50 | Human | Functional | pAC50 | = | 9 | 9.0 | -7 | 17 | ChEMBL | 315 | 6 | 1 | 3 | 4.3 | CCCN([C@H]1CCc2c(C1)cccc2O)CCc1cccs1 | 10.1038/s41467-023-40064-9 | |||
CHEMBL1303 | 3372 | None | 50 | Human | Functional | pAC50 | = | 9 | 9.0 | -7 | 17 | ChEMBL | 315 | 6 | 1 | 3 | 4.3 | CCCN([C@H]1CCc2c(C1)cccc2O)CCc1cccs1 | 10.1038/s41467-023-40064-9 | |||
DB05271 | 3372 | None | 50 | Human | Functional | pAC50 | = | 9 | 9.0 | -7 | 17 | ChEMBL | 315 | 6 | 1 | 3 | 4.3 | CCCN([C@H]1CCc2c(C1)cccc2O)CCc1cccs1 | 10.1038/s41467-023-40064-9 | |||
138 | 3081 | None | 57 | Human | Functional | pAC50 | = | 8 | 8.0 | -6 | 10 | ChEMBL | 354 | 13 | 3 | 4 | 3.5 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)O)O | 10.1038/s41467-023-40064-9 | |||
149351 | 3081 | None | 57 | Human | Functional | pAC50 | = | 8 | 8.0 | -6 | 10 | ChEMBL | 354 | 13 | 3 | 4 | 3.5 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)O)O | 10.1038/s41467-023-40064-9 | |||
149351.0 | 3081 | None | 57 | Human | Functional | pAC50 | = | 8 | 8.0 | -6 | 10 | ChEMBL | 354 | 13 | 3 | 4 | 3.5 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)O)O | 10.1038/s41467-023-40064-9 | |||
1882 | 3081 | None | 57 | Human | Functional | pAC50 | = | 8 | 8.0 | -6 | 10 | ChEMBL | 354 | 13 | 3 | 4 | 3.5 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)O)O | 10.1038/s41467-023-40064-9 | |||
5280723 | 3081 | None | 57 | Human | Functional | pAC50 | = | 8 | 8.0 | -6 | 10 | ChEMBL | 354 | 13 | 3 | 4 | 3.5 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)O)O | 10.1038/s41467-023-40064-9 | |||
5280723.0 | 3081 | None | 57 | Human | Functional | pAC50 | = | 8 | 8.0 | -6 | 10 | ChEMBL | 354 | 13 | 3 | 4 | 3.5 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)O)O | 10.1038/s41467-023-40064-9 | |||
CHEMBL495 | 3081 | None | 57 | Human | Functional | pAC50 | = | 8 | 8.0 | -6 | 10 | ChEMBL | 354 | 13 | 3 | 4 | 3.5 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)O)O | 10.1038/s41467-023-40064-9 | |||
DB00770 | 3081 | None | 57 | Human | Functional | pAC50 | = | 8 | 8.0 | -6 | 10 | ChEMBL | 354 | 13 | 3 | 4 | 3.5 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)O)O | 10.1038/s41467-023-40064-9 | |||
4150 | 788 | None | 26 | Human | Functional | pAC50 | = | 5 | 5.0 | -154 | 16 | ChEMBL | 314 | 6 | 2 | 2 | 5.8 | CCCCCc1cc(O)c(c(c1)O)[C@@H]1C=C(C)CC[C@H]1C(=C)C | 10.1038/s41467-023-40064-9 | |||
5288 | 788 | None | 26 | Human | Functional | pAC50 | = | 5 | 5.0 | -154 | 16 | ChEMBL | 314 | 6 | 2 | 2 | 5.8 | CCCCCc1cc(O)c(c(c1)O)[C@@H]1C=C(C)CC[C@H]1C(=C)C | 10.1038/s41467-023-40064-9 | |||
644019 | 788 | None | 26 | Human | Functional | pAC50 | = | 5 | 5.0 | -154 | 16 | ChEMBL | 314 | 6 | 2 | 2 | 5.8 | CCCCCc1cc(O)c(c(c1)O)[C@@H]1C=C(C)CC[C@H]1C(=C)C | 10.1038/s41467-023-40064-9 | |||
644019.0 | 788 | None | 26 | Human | Functional | pAC50 | = | 5 | 5.0 | -154 | 16 | ChEMBL | 314 | 6 | 2 | 2 | 5.8 | CCCCCc1cc(O)c(c(c1)O)[C@@H]1C=C(C)CC[C@H]1C(=C)C | 10.1038/s41467-023-40064-9 | |||
CHEMBL190461 | 788 | None | 26 | Human | Functional | pAC50 | = | 5 | 5.0 | -154 | 16 | ChEMBL | 314 | 6 | 2 | 2 | 5.8 | CCCCCc1cc(O)c(c(c1)O)[C@@H]1C=C(C)CC[C@H]1C(=C)C | 10.1038/s41467-023-40064-9 | |||
DB09061 | 788 | None | 26 | Human | Functional | pAC50 | = | 5 | 5.0 | -154 | 16 | ChEMBL | 314 | 6 | 2 | 2 | 5.8 | CCCCCc1cc(O)c(c(c1)O)[C@@H]1C=C(C)CC[C@H]1C(=C)C | 10.1038/s41467-023-40064-9 | |||
2389 | 3331 | None | 72 | Human | Functional | pAC50 | = | 6 | 6.0 | -257 | 29 | 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 | None | 72 | Human | Functional | pAC50 | = | 6 | 6.0 | -257 | 29 | ChEMBL | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | 10.1038/s41467-023-40064-9 | |||
5073.0 | 3331 | None | 72 | Human | Functional | pAC50 | = | 6 | 6.0 | -257 | 29 | 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 | None | 72 | Human | Functional | pAC50 | = | 6 | 6.0 | -257 | 29 | 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 | None | 72 | Human | Functional | pAC50 | = | 6 | 6.0 | -257 | 29 | 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 | None | 72 | Human | Functional | pAC50 | = | 6 | 6.0 | -257 | 29 | ChEMBL | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | 10.1038/s41467-023-40064-9 | |||
2105 | 3054 | None | 28 | Human | Functional | pAC50 | = | 8.0 | 8.0 | -85 | 25 | 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 | None | 28 | Human | Functional | pAC50 | = | 8.0 | 8.0 | -85 | 25 | 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 | None | 28 | Human | Functional | pAC50 | = | 8.0 | 8.0 | -85 | 25 | 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 | None | 28 | Human | Functional | pAC50 | = | 8.0 | 8.0 | -85 | 25 | 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 | None | 28 | Human | Functional | pAC50 | = | 8.0 | 8.0 | -85 | 25 | 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 | |||
3042 | 1414 | None | 26 | Human | Functional | pAC50 | = | 6.0 | 6.0 | -457 | 17 | ChEMBL | 309 | 7 | 0 | 3 | 4.4 | CCN(CCOC(=O)C1(CCCCC1)C1CCCCC1)CC | 10.1038/s41467-023-40064-9 | |||
3042.0 | 1414 | None | 26 | Human | Functional | pAC50 | = | 6.0 | 6.0 | -457 | 17 | ChEMBL | 309 | 7 | 0 | 3 | 4.4 | CCN(CCOC(=O)C1(CCCCC1)C1CCCCC1)CC | 10.1038/s41467-023-40064-9 | |||
355 | 1414 | None | 26 | Human | Functional | pAC50 | = | 6.0 | 6.0 | -457 | 17 | ChEMBL | 309 | 7 | 0 | 3 | 4.4 | CCN(CCOC(=O)C1(CCCCC1)C1CCCCC1)CC | 10.1038/s41467-023-40064-9 | |||
868 | 1414 | None | 26 | Human | Functional | pAC50 | = | 6.0 | 6.0 | -457 | 17 | ChEMBL | 309 | 7 | 0 | 3 | 4.4 | CCN(CCOC(=O)C1(CCCCC1)C1CCCCC1)CC | 10.1038/s41467-023-40064-9 | |||
CHEMBL1123 | 1414 | None | 26 | Human | Functional | pAC50 | = | 6.0 | 6.0 | -457 | 17 | ChEMBL | 309 | 7 | 0 | 3 | 4.4 | CCN(CCOC(=O)C1(CCCCC1)C1CCCCC1)CC | 10.1038/s41467-023-40064-9 | |||
DB00804 | 1414 | None | 26 | Human | Functional | pAC50 | = | 6.0 | 6.0 | -457 | 17 | ChEMBL | 309 | 7 | 0 | 3 | 4.4 | CCN(CCOC(=O)C1(CCCCC1)C1CCCCC1)CC | 10.1038/s41467-023-40064-9 | |||
17676 | 7074 | None | 25 | Human | Functional | pAC50 | = | 6.0 | 6.0 | -77 | 13 | ChEMBL | 411 | 7 | 1 | 6 | 3.5 | CC(=O)c1ccc2c(c1)N(CCCN1CCN(CCO)CC1)c1ccccc1S2 | 10.1038/s41467-023-40064-9 | |||
17676.0 | 7074 | None | 25 | Human | Functional | pAC50 | = | 6.0 | 6.0 | -77 | 13 | ChEMBL | 411 | 7 | 1 | 6 | 3.5 | CC(=O)c1ccc2c(c1)N(CCCN1CCN(CCO)CC1)c1ccccc1S2 | 10.1038/s41467-023-40064-9 | |||
5281082 | 7074 | None | 25 | Human | Functional | pAC50 | = | 6.0 | 6.0 | -77 | 13 | ChEMBL | 411 | 7 | 1 | 6 | 3.5 | CC(=O)c1ccc2c(c1)N(CCCN1CCN(CCO)CC1)c1ccccc1S2 | 10.1038/s41467-023-40064-9 | |||
CHEMBL1085 | 7074 | None | 25 | Human | Functional | pAC50 | = | 6.0 | 6.0 | -77 | 13 | ChEMBL | 411 | 7 | 1 | 6 | 3.5 | CC(=O)c1ccc2c(c1)N(CCCN1CCN(CCO)CC1)c1ccccc1S2 | 10.1038/s41467-023-40064-9 | |||
DB01063 | 7074 | None | 25 | Human | Functional | pAC50 | = | 6.0 | 6.0 | -77 | 13 | ChEMBL | 411 | 7 | 1 | 6 | 3.5 | CC(=O)c1ccc2c(c1)N(CCCN1CCN(CCO)CC1)c1ccccc1S2 | 10.1038/s41467-023-40064-9 | |||
11001318 | 78179 | None | 56 | Human | Functional | pAC50 | = | 4.9 | 4.9 | 1 | 3 | ChEMBL | 307 | 2 | 1 | 3 | 4.5 | O=C(O)c1ccc2nc(-c3cc(Cl)cc(Cl)c3)oc2c1 | 10.1038/s41467-023-40064-9 | |||
CHEMBL2103837 | 78179 | None | 56 | Human | Functional | pAC50 | = | 4.9 | 4.9 | 1 | 3 | ChEMBL | 307 | 2 | 1 | 3 | 4.5 | O=C(O)c1ccc2nc(-c3cc(Cl)cc(Cl)c3)oc2c1 | 10.1038/s41467-023-40064-9 | |||
135398737 | 958 | None | 57 | Human | Functional | pAC50 | = | 5.9 | 5.9 | -112 | 43 | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 10.1038/s41467-023-40064-9 | |||
135398737.0 | 958 | None | 57 | Human | Functional | pAC50 | = | 5.9 | 5.9 | -112 | 43 | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 10.1038/s41467-023-40064-9 | |||
38 | 958 | None | 57 | Human | Functional | pAC50 | = | 5.9 | 5.9 | -112 | 43 | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 10.1038/s41467-023-40064-9 | |||
722 | 958 | None | 57 | Human | Functional | pAC50 | = | 5.9 | 5.9 | -112 | 43 | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 10.1038/s41467-023-40064-9 | |||
CHEMBL42 | 958 | None | 57 | Human | Functional | pAC50 | = | 5.9 | 5.9 | -112 | 43 | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 10.1038/s41467-023-40064-9 | |||
DB00363 | 958 | None | 57 | Human | Functional | pAC50 | = | 5.9 | 5.9 | -112 | 43 | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 10.1038/s41467-023-40064-9 | |||
36811 | 1454 | None | 27 | Human | Functional | pAC50 | = | 4.9 | 4.9 | -467 | 17 | ChEMBL | 301 | 7 | 4 | 4 | 3.0 | CC(CCc1ccc(cc1)O)NCCc1ccc(c(c1)O)O | 10.1038/s41467-023-40064-9 | |||
36811.0 | 1454 | None | 27 | Human | Functional | pAC50 | = | 4.9 | 4.9 | -467 | 17 | ChEMBL | 301 | 7 | 4 | 4 | 3.0 | CC(CCc1ccc(cc1)O)NCCc1ccc(c(c1)O)O | 10.1038/s41467-023-40064-9 | |||
535 | 1454 | None | 27 | Human | Functional | pAC50 | = | 4.9 | 4.9 | -467 | 17 | ChEMBL | 301 | 7 | 4 | 4 | 3.0 | CC(CCc1ccc(cc1)O)NCCc1ccc(c(c1)O)O | 10.1038/s41467-023-40064-9 | |||
937 | 1454 | None | 27 | Human | Functional | pAC50 | = | 4.9 | 4.9 | -467 | 17 | ChEMBL | 301 | 7 | 4 | 4 | 3.0 | CC(CCc1ccc(cc1)O)NCCc1ccc(c(c1)O)O | 10.1038/s41467-023-40064-9 | |||
CHEMBL926 | 1454 | None | 27 | Human | Functional | pAC50 | = | 4.9 | 4.9 | -467 | 17 | ChEMBL | 301 | 7 | 4 | 4 | 3.0 | CC(CCc1ccc(cc1)O)NCCc1ccc(c(c1)O)O | 10.1038/s41467-023-40064-9 | |||
DB00841 | 1454 | None | 27 | Human | Functional | pAC50 | = | 4.9 | 4.9 | -467 | 17 | ChEMBL | 301 | 7 | 4 | 4 | 3.0 | CC(CCc1ccc(cc1)O)NCCc1ccc(c(c1)O)O | 10.1038/s41467-023-40064-9 | |||
25102847 | 78250 | None | 62 | Human | Functional | pAC50 | = | 4.9 | 4.9 | -6 | 10 | ChEMBL | 501 | 8 | 2 | 6 | 5.5 | COc1cc2nccc(Oc3ccc(NC(=O)C4(C(=O)Nc5ccc(F)cc5)CC4)cc3)c2cc1OC | 10.1038/s41467-023-40064-9 | |||
CHEMBL2105717 | 78250 | None | 62 | Human | Functional | pAC50 | = | 4.9 | 4.9 | -6 | 10 | ChEMBL | 501 | 8 | 2 | 6 | 5.5 | COc1cc2nccc(Oc3ccc(NC(=O)C4(C(=O)Nc5ccc(F)cc5)CC4)cc3)c2cc1OC | 10.1038/s41467-023-40064-9 | |||
228 | 445 | None | 20 | Human | Functional | pAC50 | = | 7.9 | 7.9 | -14 | 20 | ChEMBL | 267 | 0 | 2 | 3 | 2.9 | CN1CCc2c3[C@H]1Cc1ccc(c(c1c3ccc2)O)O | 10.1038/s41467-023-40064-9 | |||
33 | 445 | None | 20 | Human | Functional | pAC50 | = | 7.9 | 7.9 | -14 | 20 | ChEMBL | 267 | 0 | 2 | 3 | 2.9 | CN1CCc2c3[C@H]1Cc1ccc(c(c1c3ccc2)O)O | 10.1038/s41467-023-40064-9 | |||
6005 | 445 | None | 20 | Human | Functional | pAC50 | = | 7.9 | 7.9 | -14 | 20 | ChEMBL | 267 | 0 | 2 | 3 | 2.9 | CN1CCc2c3[C@H]1Cc1ccc(c(c1c3ccc2)O)O | 10.1038/s41467-023-40064-9 | |||
6005.0 | 445 | None | 20 | Human | Functional | pAC50 | = | 7.9 | 7.9 | -14 | 20 | ChEMBL | 267 | 0 | 2 | 3 | 2.9 | CN1CCc2c3[C@H]1Cc1ccc(c(c1c3ccc2)O)O | 10.1038/s41467-023-40064-9 | |||
CHEMBL53 | 445 | None | 20 | Human | Functional | pAC50 | = | 7.9 | 7.9 | -14 | 20 | ChEMBL | 267 | 0 | 2 | 3 | 2.9 | CN1CCc2c3[C@H]1Cc1ccc(c(c1c3ccc2)O)O | 10.1038/s41467-023-40064-9 | |||
DB00714 | 445 | None | 20 | Human | Functional | pAC50 | = | 7.9 | 7.9 | -14 | 20 | ChEMBL | 267 | 0 | 2 | 3 | 2.9 | CN1CCc2c3[C@H]1Cc1ccc(c(c1c3ccc2)O)O | 10.1038/s41467-023-40064-9 | |||
168871 | 89164 | None | 10 | Human | Functional | pAC50 | = | 7.9 | 7.9 | 1 | 13 | 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 | 89164 | None | 10 | Human | Functional | pAC50 | = | 7.9 | 7.9 | 1 | 13 | 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 | |||
6077 | 150786 | None | 16 | Human | Functional | pAC50 | = | 5.9 | 5.9 | -44 | 11 | ChEMBL | 326 | 5 | 0 | 4 | 4.4 | CC(=O)c1ccc2c(c1)N(CCCN(C)C)c1ccccc1S2 | 10.1038/s41467-023-40064-9 | |||
CHEMBL39560 | 150786 | None | 16 | Human | Functional | pAC50 | = | 5.9 | 5.9 | -44 | 11 | ChEMBL | 326 | 5 | 0 | 4 | 4.4 | CC(=O)c1ccc2c(c1)N(CCCN(C)C)c1ccccc1S2 | 10.1038/s41467-023-40064-9 | |||
54682461 | 84720 | None | 41 | Human | Functional | pAC50 | = | 4.9 | 4.9 | -3 | 12 | ChEMBL | 602 | 11 | 2 | 6 | 7.3 | CCC[C@@]1(CCc2ccccc2)CC(O)=C([C@H](CC)c2cccc(NS(=O)(=O)c3ccc(C(F)(F)F)cn3)c2)C(=O)O1 | 10.1038/s41467-023-40064-9 | |||
CHEMBL222559 | 84720 | None | 41 | Human | Functional | pAC50 | = | 4.9 | 4.9 | -3 | 12 | ChEMBL | 602 | 11 | 2 | 6 | 7.3 | CCC[C@@]1(CCc2ccccc2)CC(O)=C([C@H](CC)c2cccc(NS(=O)(=O)c3ccc(C(F)(F)F)cn3)c2)C(=O)O1 | 10.1038/s41467-023-40064-9 | |||
55645 | 84404 | None | 3 | Human | Functional | pAC50 | = | 6.8 | 6.8 | -53 | 11 | ChEMBL | 395 | 7 | 2 | 4 | 2.1 | CCCN1CC(NS(=O)(=O)N(CC)CC)CC2Cc3c(O)cccc3CC21 | 10.1038/s41467-023-40064-9 | |||
55645.0 | 84404 | None | 3 | Human | Functional | pAC50 | = | 6.8 | 6.8 | -53 | 11 | ChEMBL | 395 | 7 | 2 | 4 | 2.1 | CCCN1CC(NS(=O)(=O)N(CC)CC)CC2Cc3c(O)cccc3CC21 | 10.1038/s41467-023-40064-9 | |||
CHEMBL2218861 | 84404 | None | 3 | Human | Functional | pAC50 | = | 6.8 | 6.8 | -53 | 11 | ChEMBL | 395 | 7 | 2 | 4 | 2.1 | CCCN1CC(NS(=O)(=O)N(CC)CC)CC2Cc3c(O)cccc3CC21 | 10.1038/s41467-023-40064-9 | |||
31101 | 729 | None | 28 | Human | Functional | pAC50 | = | 5.8 | 5.8 | -776 | 29 | 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 | |||
31101.0 | 729 | None | 28 | Human | Functional | pAC50 | = | 5.8 | 5.8 | -776 | 29 | 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 | None | 28 | Human | Functional | pAC50 | = | 5.8 | 5.8 | -776 | 29 | 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 | None | 28 | Human | Functional | pAC50 | = | 5.8 | 5.8 | -776 | 29 | 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 | None | 28 | Human | Functional | pAC50 | = | 5.8 | 5.8 | -776 | 29 | 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 | None | 28 | Human | Functional | pAC50 | = | 5.8 | 5.8 | -776 | 29 | 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 | |||
26879 | 37305 | None | 40 | Human | Functional | pAC50 | = | 5.8 | 5.8 | 13 | 2 | ChEMBL | 204 | 1 | 0 | 3 | 2.1 | c1ccc([C@H]2CN3CCSC3=N2)cc1 | 10.1038/s41467-023-40064-9 | |||
CHEMBL1454 | 37305 | None | 40 | Human | Functional | pAC50 | = | 5.8 | 5.8 | 13 | 2 | ChEMBL | 204 | 1 | 0 | 3 | 2.1 | c1ccc([C@H]2CN3CCSC3=N2)cc1 | 10.1038/s41467-023-40064-9 | |||
24826799 | 10802 | None | 64 | Human | Functional | pAC50 | = | 4.8 | 4.8 | -50 | 20 | ChEMBL | 532 | 4 | 1 | 6 | 4.5 | Cc1ccc(C(=O)Nc2ccc(CN3CCN(C)CC3)c(C(F)(F)F)c2)cc1C#Cc1cnc2cccnn12 | 10.1038/s41467-023-40064-9 | |||
CHEMBL1171837 | 10802 | None | 64 | Human | Functional | pAC50 | = | 4.8 | 4.8 | -50 | 20 | ChEMBL | 532 | 4 | 1 | 6 | 4.5 | Cc1ccc(C(=O)Nc2ccc(CN3CCN(C)CC3)c(C(F)(F)F)c2)cc1C#Cc1cnc2cccnn12 | 10.1038/s41467-023-40064-9 | |||
2335 | 11852 | None | 18 | Human | Functional | pAC50 | = | 4.8 | 4.8 | -36 | 34 | ChEMBL | 412 | 11 | 0 | 2 | 6.1 | CC(C)(C)CC(C)(C)c1ccc(OCCOCC[N+](C)(C)Cc2ccccc2)cc1 | 10.1038/s41467-023-40064-9 | |||
8478 | 11852 | None | 18 | Human | Functional | pAC50 | = | 4.8 | 4.8 | -36 | 34 | ChEMBL | 412 | 11 | 0 | 2 | 6.1 | CC(C)(C)CC(C)(C)c1ccc(OCCOCC[N+](C)(C)Cc2ccccc2)cc1 | 10.1038/s41467-023-40064-9 | |||
CHEMBL1182210 | 11852 | None | 18 | Human | Functional | pAC50 | = | 4.8 | 4.8 | -36 | 34 | ChEMBL | 412 | 11 | 0 | 2 | 6.1 | CC(C)(C)CC(C)(C)c1ccc(OCCOCC[N+](C)(C)Cc2ccccc2)cc1 | 10.1038/s41467-023-40064-9 | |||
CHEMBL221753 | 11852 | None | 18 | Human | Functional | pAC50 | = | 4.8 | 4.8 | -36 | 34 | ChEMBL | 412 | 11 | 0 | 2 | 6.1 | CC(C)(C)CC(C)(C)c1ccc(OCCOCC[N+](C)(C)Cc2ccccc2)cc1 | 10.1038/s41467-023-40064-9 | |||
4066 | 207084 | None | 54 | Human | Functional | pAC50 | = | 4.8 | 4.8 | -1071 | 16 | ChEMBL | 322 | 2 | 0 | 3 | 4.6 | c1ccc2c(c1)Sc1ccccc1N2CC1CN2CCC1CC2 | 10.1038/s41467-023-40064-9 | |||
4066.0 | 207084 | None | 54 | Human | Functional | pAC50 | = | 4.8 | 4.8 | -1071 | 16 | ChEMBL | 322 | 2 | 0 | 3 | 4.6 | c1ccc2c(c1)Sc1ccccc1N2CC1CN2CCC1CC2 | 10.1038/s41467-023-40064-9 | |||
CHEMBL73451 | 207084 | None | 54 | Human | Functional | pAC50 | = | 4.8 | 4.8 | -1071 | 16 | ChEMBL | 322 | 2 | 0 | 3 | 4.6 | c1ccc2c(c1)Sc1ccccc1N2CC1CN2CCC1CC2 | 10.1038/s41467-023-40064-9 | |||
DB01071 | 207084 | None | 54 | Human | Functional | pAC50 | = | 4.8 | 4.8 | -1071 | 16 | ChEMBL | 322 | 2 | 0 | 3 | 4.6 | c1ccc2c(c1)Sc1ccccc1N2CC1CN2CCC1CC2 | 10.1038/s41467-023-40064-9 | |||
154257 | 178724 | None | 43 | Human | Functional | pAC50 | = | 4.8 | 4.8 | -77 | 19 | ChEMBL | 470 | 7 | 2 | 5 | 6.3 | Cc1c(-c2ccc(O)cc2)n(Cc2ccc(OCCN3CCCCCC3)cc2)c2ccc(O)cc12 | 10.1038/s41467-023-40064-9 | |||
CHEMBL46740 | 178724 | None | 43 | Human | Functional | pAC50 | = | 4.8 | 4.8 | -77 | 19 | ChEMBL | 470 | 7 | 2 | 5 | 6.3 | Cc1c(-c2ccc(O)cc2)n(Cc2ccc(OCCN3CCCCCC3)cc2)c2ccc(O)cc12 | 10.1038/s41467-023-40064-9 | |||
54454 | 5260 | None | 48 | Human | Functional | pAC50 | = | 5.8 | 5.8 | -2 | 14 | ChEMBL | 418 | 6 | 1 | 5 | 4.6 | CCC(C)(C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@H]21 | 10.1038/s41467-023-40064-9 | |||
CHEMBL1064 | 5260 | None | 48 | Human | Functional | pAC50 | = | 5.8 | 5.8 | -2 | 14 | ChEMBL | 418 | 6 | 1 | 5 | 4.6 | CCC(C)(C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@H]21 | 10.1038/s41467-023-40064-9 | |||
60606 | 61580 | None | 50 | Human | Functional | pAC50 | = | 4.7 | 4.7 | -9 | 8 | ChEMBL | 321 | 3 | 0 | 4 | 3.7 | COC(=O)[C@H](c1ccccc1Cl)N1CCc2sccc2C1 | 10.1038/s41467-023-40064-9 | |||
60606.0 | 61580 | None | 50 | Human | Functional | pAC50 | = | 4.7 | 4.7 | -9 | 8 | ChEMBL | 321 | 3 | 0 | 4 | 3.7 | COC(=O)[C@H](c1ccccc1Cl)N1CCc2sccc2C1 | 10.1038/s41467-023-40064-9 | |||
CHEMBL1771 | 61580 | None | 50 | Human | Functional | pAC50 | = | 4.7 | 4.7 | -9 | 8 | ChEMBL | 321 | 3 | 0 | 4 | 3.7 | COC(=O)[C@H](c1ccccc1Cl)N1CCc2sccc2C1 | 10.1038/s41467-023-40064-9 | |||
DB00758 | 61580 | None | 50 | Human | Functional | pAC50 | = | 4.7 | 4.7 | -9 | 8 | ChEMBL | 321 | 3 | 0 | 4 | 3.7 | COC(=O)[C@H](c1ccccc1Cl)N1CCc2sccc2C1 | 10.1038/s41467-023-40064-9 | |||
102 | 4127 | None | 36 | Human | Functional | pAC50 | = | 5.7 | 5.7 | -295 | 20 | 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 | None | 36 | Human | Functional | pAC50 | = | 5.7 | 5.7 | -295 | 20 | 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 | None | 36 | Human | Functional | pAC50 | = | 5.7 | 5.7 | -295 | 20 | 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 | |||
8969.0 | 4127 | None | 36 | Human | Functional | pAC50 | = | 5.7 | 5.7 | -295 | 20 | 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 | None | 36 | Human | Functional | pAC50 | = | 5.7 | 5.7 | -295 | 20 | 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 | None | 36 | Human | Functional | pAC50 | = | 5.7 | 5.7 | -295 | 20 | 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 | |||
5284537 | 33621 | None | 25 | Human | Functional | pAC50 | = | 5.7 | 5.7 | 2 | 2 | ChEMBL | 374 | 1 | 1 | 3 | 4.0 | CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3C=C(Cl)C4=CC(=O)[C@@H]5C[C@@H]5[C@]4(C)[C@H]3CC[C@@]21C | 10.1038/s41467-023-40064-9 | |||
CHEMBL142130 | 33621 | None | 25 | Human | Functional | pAC50 | = | 5.7 | 5.7 | 2 | 2 | ChEMBL | 374 | 1 | 1 | 3 | 4.0 | CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3C=C(Cl)C4=CC(=O)[C@@H]5C[C@@H]5[C@]4(C)[C@H]3CC[C@@]21C | 10.1038/s41467-023-40064-9 | |||
1201549 | 597 | None | 17 | Human | Functional | pAC50 | = | 4.7 | 4.7 | -10471 | 26 | ChEMBL | 307 | 4 | 0 | 2 | 4.4 | CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(c1ccccc1)c1ccccc1 | 10.1038/s41467-023-40064-9 | |||
1201549.0 | 597 | None | 17 | Human | Functional | pAC50 | = | 4.7 | 4.7 | -10471 | 26 | ChEMBL | 307 | 4 | 0 | 2 | 4.4 | CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(c1ccccc1)c1ccccc1 | 10.1038/s41467-023-40064-9 | |||
333 | 597 | None | 17 | Human | Functional | pAC50 | = | 4.7 | 4.7 | -10471 | 26 | ChEMBL | 307 | 4 | 0 | 2 | 4.4 | CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(c1ccccc1)c1ccccc1 | 10.1038/s41467-023-40064-9 | |||
7601 | 597 | None | 17 | Human | Functional | pAC50 | = | 4.7 | 4.7 | -10471 | 26 | ChEMBL | 307 | 4 | 0 | 2 | 4.4 | CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(c1ccccc1)c1ccccc1 | 10.1038/s41467-023-40064-9 | |||
CHEMBL1201203 | 597 | None | 17 | Human | Functional | pAC50 | = | 4.7 | 4.7 | -10471 | 26 | ChEMBL | 307 | 4 | 0 | 2 | 4.4 | CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(c1ccccc1)c1ccccc1 | 10.1038/s41467-023-40064-9 | |||
CHEMBL438151 | 597 | None | 17 | Human | Functional | pAC50 | = | 4.7 | 4.7 | -10471 | 26 | ChEMBL | 307 | 4 | 0 | 2 | 4.4 | CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(c1ccccc1)c1ccccc1 | 10.1038/s41467-023-40064-9 | |||
DB00245 | 597 | None | 17 | Human | Functional | pAC50 | = | 4.7 | 4.7 | -10471 | 26 | ChEMBL | 307 | 4 | 0 | 2 | 4.4 | CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(c1ccccc1)c1ccccc1 | 10.1038/s41467-023-40064-9 | |||
2136 | 3095 | None | 24 | Human | Functional | pAC50 | = | 5.7 | 5.7 | -43 | 21 | ChEMBL | 303 | 8 | 0 | 2 | 4.2 | ClCCN(C(COc1ccccc1)C)Cc1ccccc1 | 10.1038/s41467-023-40064-9 | |||
4768 | 3095 | None | 24 | Human | Functional | pAC50 | = | 5.7 | 5.7 | -43 | 21 | ChEMBL | 303 | 8 | 0 | 2 | 4.2 | ClCCN(C(COc1ccccc1)C)Cc1ccccc1 | 10.1038/s41467-023-40064-9 | |||
4768.0 | 3095 | None | 24 | Human | Functional | pAC50 | = | 5.7 | 5.7 | -43 | 21 | ChEMBL | 303 | 8 | 0 | 2 | 4.2 | ClCCN(C(COc1ccccc1)C)Cc1ccccc1 | 10.1038/s41467-023-40064-9 | |||
7268 | 3095 | None | 24 | Human | Functional | pAC50 | = | 5.7 | 5.7 | -43 | 21 | ChEMBL | 303 | 8 | 0 | 2 | 4.2 | ClCCN(C(COc1ccccc1)C)Cc1ccccc1 | 10.1038/s41467-023-40064-9 | |||
CHEMBL753 | 3095 | None | 24 | Human | Functional | pAC50 | = | 5.7 | 5.7 | -43 | 21 | ChEMBL | 303 | 8 | 0 | 2 | 4.2 | ClCCN(C(COc1ccccc1)C)Cc1ccccc1 | 10.1038/s41467-023-40064-9 | |||
DB00925 | 3095 | None | 24 | Human | Functional | pAC50 | = | 5.7 | 5.7 | -43 | 21 | ChEMBL | 303 | 8 | 0 | 2 | 4.2 | ClCCN(C(COc1ccccc1)C)Cc1ccccc1 | 10.1038/s41467-023-40064-9 | |||
10184665 | 3991 | None | 42 | Human | Functional | pAC50 | = | 5.7 | 5.7 | -1288 | 10 | ChEMBL | 485 | 16 | 4 | 6 | 4.6 | OCc1cc(ccc1O)[C@H](CNCCCCCCOCCOCc1c(Cl)cccc1Cl)O | 10.1038/s41467-023-40064-9 | |||
10184665.0 | 3991 | None | 42 | Human | Functional | pAC50 | = | 5.7 | 5.7 | -1288 | 10 | ChEMBL | 485 | 16 | 4 | 6 | 4.6 | OCc1cc(ccc1O)[C@H](CNCCCCCCOCCOCc1c(Cl)cccc1Cl)O | 10.1038/s41467-023-40064-9 | |||
4799 | 3991 | None | 42 | Human | Functional | pAC50 | = | 5.7 | 5.7 | -1288 | 10 | ChEMBL | 485 | 16 | 4 | 6 | 4.6 | OCc1cc(ccc1O)[C@H](CNCCCCCCOCCOCc1c(Cl)cccc1Cl)O | 10.1038/s41467-023-40064-9 | |||
7353 | 3991 | None | 42 | Human | Functional | pAC50 | = | 5.7 | 5.7 | -1288 | 10 | ChEMBL | 485 | 16 | 4 | 6 | 4.6 | OCc1cc(ccc1O)[C@H](CNCCCCCCOCCOCc1c(Cl)cccc1Cl)O | 10.1038/s41467-023-40064-9 | |||
CHEMBL1198857 | 3991 | None | 42 | Human | Functional | pAC50 | = | 5.7 | 5.7 | -1288 | 10 | ChEMBL | 485 | 16 | 4 | 6 | 4.6 | OCc1cc(ccc1O)[C@H](CNCCCCCCOCCOCc1c(Cl)cccc1Cl)O | 10.1038/s41467-023-40064-9 | |||
DB09082 | 3991 | None | 42 | Human | Functional | pAC50 | = | 5.7 | 5.7 | -1288 | 10 | ChEMBL | 485 | 16 | 4 | 6 | 4.6 | OCc1cc(ccc1O)[C@H](CNCCCCCCOCCOCc1c(Cl)cccc1Cl)O | 10.1038/s41467-023-40064-9 | |||
1209 | 1658 | None | 52 | Human | Functional | pAC50 | = | 5.6 | 5.6 | -36 | 25 | ChEMBL | 309 | 6 | 1 | 2 | 4.4 | CNCCC(c1ccccc1)Oc1ccc(cc1)C(F)(F)F | 10.1038/s41467-023-40064-9 | |||
203 | 1658 | None | 52 | Human | Functional | pAC50 | = | 5.6 | 5.6 | -36 | 25 | ChEMBL | 309 | 6 | 1 | 2 | 4.4 | CNCCC(c1ccccc1)Oc1ccc(cc1)C(F)(F)F | 10.1038/s41467-023-40064-9 | |||
3386 | 1658 | None | 52 | Human | Functional | pAC50 | = | 5.6 | 5.6 | -36 | 25 | ChEMBL | 309 | 6 | 1 | 2 | 4.4 | CNCCC(c1ccccc1)Oc1ccc(cc1)C(F)(F)F | 10.1038/s41467-023-40064-9 | |||
CHEMBL41 | 1658 | None | 52 | Human | Functional | pAC50 | = | 5.6 | 5.6 | -36 | 25 | ChEMBL | 309 | 6 | 1 | 2 | 4.4 | CNCCC(c1ccccc1)Oc1ccc(cc1)C(F)(F)F | 10.1038/s41467-023-40064-9 | |||
DB00472 | 1658 | None | 52 | Human | Functional | pAC50 | = | 5.6 | 5.6 | -36 | 25 | ChEMBL | 309 | 6 | 1 | 2 | 4.4 | CNCCC(c1ccccc1)Oc1ccc(cc1)C(F)(F)F | 10.1038/s41467-023-40064-9 | |||
55483 | 207555 | None | 29 | Human | Functional | pAC50 | = | 4.6 | 4.6 | -144 | 11 | ChEMBL | 356 | 13 | 4 | 4 | 3.6 | Oc1ccc(CCNCCCCCCNCCc2ccccc2)cc1O | 10.1038/s41467-023-40064-9 | |||
CHEMBL77622 | 207555 | None | 29 | Human | Functional | pAC50 | = | 4.6 | 4.6 | -144 | 11 | ChEMBL | 356 | 13 | 4 | 4 | 3.6 | Oc1ccc(CCNCCCCCCNCCc2ccccc2)cc1O | 10.1038/s41467-023-40064-9 | |||
3036780 | 107587 | None | 16 | Human | Functional | pAC50 | = | 6.6 | 6.6 | -251 | 15 | ChEMBL | 285 | 0 | 0 | 2 | 4.3 | CN1CC2c3ccccc3Oc3ccc(Cl)cc3C2C1 | 10.1038/s41467-023-40064-9 | |||
3036780.0 | 107587 | None | 16 | Human | Functional | pAC50 | = | 6.6 | 6.6 | -251 | 15 | ChEMBL | 285 | 0 | 0 | 2 | 4.3 | CN1CC2c3ccccc3Oc3ccc(Cl)cc3C2C1 | 10.1038/s41467-023-40064-9 | |||
46780481 | 107587 | None | 16 | Human | Functional | pAC50 | = | 6.6 | 6.6 | -251 | 15 | ChEMBL | 285 | 0 | 0 | 2 | 4.3 | CN1CC2c3ccccc3Oc3ccc(Cl)cc3C2C1 | 10.1038/s41467-023-40064-9 | |||
9903970 | 107587 | None | 16 | Human | Functional | pAC50 | = | 6.6 | 6.6 | -251 | 15 | ChEMBL | 285 | 0 | 0 | 2 | 4.3 | CN1CC2c3ccccc3Oc3ccc(Cl)cc3C2C1 | 10.1038/s41467-023-40064-9 | |||
9903970.0 | 107587 | None | 16 | Human | Functional | pAC50 | = | 6.6 | 6.6 | -251 | 15 | ChEMBL | 285 | 0 | 0 | 2 | 4.3 | CN1CC2c3ccccc3Oc3ccc(Cl)cc3C2C1 | 10.1038/s41467-023-40064-9 | |||
CHEMBL3187365 | 107587 | None | 16 | Human | Functional | pAC50 | = | 6.6 | 6.6 | -251 | 15 | ChEMBL | 285 | 0 | 0 | 2 | 4.3 | CN1CC2c3ccccc3Oc3ccc(Cl)cc3C2C1 | 10.1038/s41467-023-40064-9 | |||
CHEMBL3544974 | 107587 | None | 16 | Human | Functional | pAC50 | = | 6.6 | 6.6 | -251 | 15 | ChEMBL | 285 | 0 | 0 | 2 | 4.3 | CN1CC2c3ccccc3Oc3ccc(Cl)cc3C2C1 | 10.1038/s41467-023-40064-9 | |||
CHEMBL504548 | 107587 | None | 16 | Human | Functional | pAC50 | = | 6.6 | 6.6 | -251 | 15 | ChEMBL | 285 | 0 | 0 | 2 | 4.3 | CN1CC2c3ccccc3Oc3ccc(Cl)cc3C2C1 | 10.1038/s41467-023-40064-9 | |||
DB06216 | 107587 | None | 16 | Human | Functional | pAC50 | = | 6.6 | 6.6 | -251 | 15 | ChEMBL | 285 | 0 | 0 | 2 | 4.3 | CN1CC2c3ccccc3Oc3ccc(Cl)cc3C2C1 | 10.1038/s41467-023-40064-9 | |||
71137 | 78272 | None | 11 | Human | Functional | pAC50 | = | 6.6 | 6.6 | - | 1 | ChEMBL | 470 | 12 | 2 | 9 | 2.7 | CCOC(=O)Oc1ccc(CCNC(=O)[C@H](CCSC)NC(C)=O)cc1OC(=O)OCC | 10.1038/s41467-023-40064-9 | |||
CHEMBL2106351 | 78272 | None | 11 | Human | Functional | pAC50 | = | 6.6 | 6.6 | - | 1 | ChEMBL | 470 | 12 | 2 | 9 | 2.7 | CCOC(=O)Oc1ccc(CCNC(=O)[C@H](CCSC)NC(C)=O)cc1OC(=O)OCC | 10.1038/s41467-023-40064-9 | |||
104850 | 3330 | None | 58 | Human | Functional | pAC50 | = | 4.6 | 4.6 | -2398 | 28 | 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 | None | 58 | Human | Functional | pAC50 | = | 4.6 | 4.6 | -2398 | 28 | 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 | None | 58 | Human | Functional | pAC50 | = | 4.6 | 4.6 | -2398 | 28 | 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 | None | 58 | Human | Functional | pAC50 | = | 4.6 | 4.6 | -2398 | 28 | 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 | None | 58 | Human | Functional | pAC50 | = | 4.6 | 4.6 | -2398 | 28 | ChEMBL | 462 | 4 | 1 | 4 | 5.9 | Clc1ccc(cc1)c1c(C)c(nn1c1ccc(cc1Cl)Cl)C(=O)NN1CCCCC1 | 10.1038/s41467-023-40064-9 | |||
135564886 | 14499 | None | 5 | Human | Functional | pAC50 | = | 4.6 | 4.6 | -8 | 25 | 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 | 14499 | None | 5 | Human | Functional | pAC50 | = | 4.6 | 4.6 | -8 | 25 | 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 | 14499 | None | 5 | Human | Functional | pAC50 | = | 4.6 | 4.6 | -8 | 25 | 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 | 14499 | None | 5 | Human | Functional | pAC50 | = | 4.6 | 4.6 | -8 | 25 | 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 | 14499 | None | 5 | Human | Functional | pAC50 | = | 4.6 | 4.6 | -8 | 25 | 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 | 14499 | None | 5 | Human | Functional | pAC50 | = | 4.6 | 4.6 | -8 | 25 | 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 | |||
71496458 | 115628 | None | 61 | Human | Functional | pAC50 | = | 4.6 | 4.6 | -72 | 16 | ChEMBL | 499 | 10 | 2 | 8 | 4.5 | C=CC(=O)Nc1cc(Nc2nccc(-c3cn(C)c4ccccc34)n2)c(OC)cc1N(C)CCN(C)C | 10.1038/s41467-023-40064-9 | |||
CHEMBL3353410 | 115628 | None | 61 | Human | Functional | pAC50 | = | 4.6 | 4.6 | -72 | 16 | ChEMBL | 499 | 10 | 2 | 8 | 4.5 | C=CC(=O)Nc1cc(Nc2nccc(-c3cn(C)c4ccccc34)n2)c(OC)cc1N(C)CCN(C)C | 10.1038/s41467-023-40064-9 | |||
150 | 2509 | None | 14 | Human | Functional | pAC50 | = | 8.5 | 8.5 | -22 | 17 | 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 | None | 14 | Human | Functional | pAC50 | = | 8.5 | 8.5 | -22 | 17 | 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 | None | 14 | Human | Functional | pAC50 | = | 8.5 | 8.5 | -22 | 17 | 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 | |||
8226.0 | 2509 | None | 14 | Human | Functional | pAC50 | = | 8.5 | 8.5 | -22 | 17 | 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 | None | 14 | Human | Functional | pAC50 | = | 8.5 | 8.5 | -22 | 17 | 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 | None | 14 | Human | Functional | pAC50 | = | 8.5 | 8.5 | -22 | 17 | 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 | |||
1960 | 2857 | None | 46 | Human | Functional | pAC50 | = | 6.5 | 6.5 | -24 | 18 | ChEMBL | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 10.1038/s41467-023-40064-9 | |||
439260 | 2857 | None | 46 | Human | Functional | pAC50 | = | 6.5 | 6.5 | -24 | 18 | ChEMBL | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 10.1038/s41467-023-40064-9 | |||
439260.0 | 2857 | None | 46 | Human | Functional | pAC50 | = | 6.5 | 6.5 | -24 | 18 | ChEMBL | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 10.1038/s41467-023-40064-9 | |||
505 | 2857 | None | 46 | Human | Functional | pAC50 | = | 6.5 | 6.5 | -24 | 18 | ChEMBL | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 10.1038/s41467-023-40064-9 | |||
CHEMBL1437 | 2857 | None | 46 | Human | Functional | pAC50 | = | 6.5 | 6.5 | -24 | 18 | ChEMBL | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 10.1038/s41467-023-40064-9 | |||
DB00368 | 2857 | None | 46 | Human | Functional | pAC50 | = | 6.5 | 6.5 | -24 | 18 | ChEMBL | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 10.1038/s41467-023-40064-9 | |||
213046 | 2385 | None | 44 | Human | Functional | pAC50 | = | 5.5 | 5.5 | -107 | 17 | ChEMBL | 492 | 5 | 0 | 6 | 4.3 | O=C1N(C[C@@H]2CCCC[C@H]2CN2CCN(CC2)c2nsc3c2cccc3)C(=O)[C@@H]2[C@H]1[C@H]1CC[C@@H]2C1 | 10.1038/s41467-023-40064-9 | |||
213046.0 | 2385 | None | 44 | Human | Functional | pAC50 | = | 5.5 | 5.5 | -107 | 17 | ChEMBL | 492 | 5 | 0 | 6 | 4.3 | O=C1N(C[C@@H]2CCCC[C@H]2CN2CCN(CC2)c2nsc3c2cccc3)C(=O)[C@@H]2[C@H]1[C@H]1CC[C@@H]2C1 | 10.1038/s41467-023-40064-9 | |||
4168 | 2385 | None | 44 | Human | Functional | pAC50 | = | 5.5 | 5.5 | -107 | 17 | ChEMBL | 492 | 5 | 0 | 6 | 4.3 | O=C1N(C[C@@H]2CCCC[C@H]2CN2CCN(CC2)c2nsc3c2cccc3)C(=O)[C@@H]2[C@H]1[C@H]1CC[C@@H]2C1 | 10.1038/s41467-023-40064-9 | |||
7461 | 2385 | None | 44 | Human | Functional | pAC50 | = | 5.5 | 5.5 | -107 | 17 | ChEMBL | 492 | 5 | 0 | 6 | 4.3 | O=C1N(C[C@@H]2CCCC[C@H]2CN2CCN(CC2)c2nsc3c2cccc3)C(=O)[C@@H]2[C@H]1[C@H]1CC[C@@H]2C1 | 10.1038/s41467-023-40064-9 | |||
CHEMBL1237021 | 2385 | None | 44 | Human | Functional | pAC50 | = | 5.5 | 5.5 | -107 | 17 | ChEMBL | 492 | 5 | 0 | 6 | 4.3 | O=C1N(C[C@@H]2CCCC[C@H]2CN2CCN(CC2)c2nsc3c2cccc3)C(=O)[C@@H]2[C@H]1[C@H]1CC[C@@H]2C1 | 10.1038/s41467-023-40064-9 | |||
DB08815 | 2385 | None | 44 | Human | Functional | pAC50 | = | 5.5 | 5.5 | -107 | 17 | ChEMBL | 492 | 5 | 0 | 6 | 4.3 | O=C1N(C[C@@H]2CCCC[C@H]2CN2CCN(CC2)c2nsc3c2cccc3)C(=O)[C@@H]2[C@H]1[C@H]1CC[C@@H]2C1 | 10.1038/s41467-023-40064-9 | |||
2146 | 3100 | None | 45 | Human | Functional | pAC50 | = | 5.5 | 5.5 | -851 | 14 | ChEMBL | 167 | 3 | 3 | 3 | 0.6 | CNC[C@@H](c1cccc(c1)O)O | 10.1038/s41467-023-40064-9 | |||
485 | 3100 | None | 45 | Human | Functional | pAC50 | = | 5.5 | 5.5 | -851 | 14 | ChEMBL | 167 | 3 | 3 | 3 | 0.6 | CNC[C@@H](c1cccc(c1)O)O | 10.1038/s41467-023-40064-9 | |||
6041 | 3100 | None | 45 | Human | Functional | pAC50 | = | 5.5 | 5.5 | -851 | 14 | ChEMBL | 167 | 3 | 3 | 3 | 0.6 | CNC[C@@H](c1cccc(c1)O)O | 10.1038/s41467-023-40064-9 | |||
6041.0 | 3100 | None | 45 | Human | Functional | pAC50 | = | 5.5 | 5.5 | -851 | 14 | ChEMBL | 167 | 3 | 3 | 3 | 0.6 | CNC[C@@H](c1cccc(c1)O)O | 10.1038/s41467-023-40064-9 | |||
CHEMBL1215 | 3100 | None | 45 | Human | Functional | pAC50 | = | 5.5 | 5.5 | -851 | 14 | ChEMBL | 167 | 3 | 3 | 3 | 0.6 | CNC[C@@H](c1cccc(c1)O)O | 10.1038/s41467-023-40064-9 | |||
DB00388 | 3100 | None | 45 | Human | Functional | pAC50 | = | 5.5 | 5.5 | -851 | 14 | ChEMBL | 167 | 3 | 3 | 3 | 0.6 | CNC[C@@H](c1cccc(c1)O)O | 10.1038/s41467-023-40064-9 | |||
CHEMBL508338 | 189074 | None | 0 | Human | Functional | pAC50 | = | 5.5 | 5.5 | -89 | 15 | ChEMBL | None | None | None | None | 10.1038/s41467-023-40064-9 | |||||
1028 | 291 | None | 40 | Human | Functional | pAC50 | = | 7.5 | 7.5 | -1 | 19 | ChEMBL | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 10.1038/s41467-023-40064-9 | |||
139148732 | 291 | None | 40 | Human | Functional | pAC50 | = | 7.5 | 7.5 | -1 | 19 | ChEMBL | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 10.1038/s41467-023-40064-9 | |||
479 | 291 | None | 40 | Human | Functional | pAC50 | = | 7.5 | 7.5 | -1 | 19 | ChEMBL | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 10.1038/s41467-023-40064-9 | |||
5816 | 291 | None | 40 | Human | Functional | pAC50 | = | 7.5 | 7.5 | -1 | 19 | ChEMBL | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 10.1038/s41467-023-40064-9 | |||
5816.0 | 291 | None | 40 | Human | Functional | pAC50 | = | 7.5 | 7.5 | -1 | 19 | ChEMBL | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 10.1038/s41467-023-40064-9 | |||
CHEMBL679 | 291 | None | 40 | Human | Functional | pAC50 | = | 7.5 | 7.5 | -1 | 19 | ChEMBL | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 10.1038/s41467-023-40064-9 | |||
DB00668 | 291 | None | 40 | Human | Functional | pAC50 | = | 7.5 | 7.5 | -1 | 19 | ChEMBL | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 10.1038/s41467-023-40064-9 | |||
135398745 | 2914 | None | 65 | Human | Functional | pAC50 | = | 6.5 | 6.5 | -12 | 33 | ChEMBL | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | 10.1038/s41467-023-40064-9 | |||
135398745.0 | 2914 | None | 65 | Human | Functional | pAC50 | = | 6.5 | 6.5 | -12 | 33 | ChEMBL | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | 10.1038/s41467-023-40064-9 | |||
47 | 2914 | None | 65 | Human | Functional | pAC50 | = | 6.5 | 6.5 | -12 | 33 | ChEMBL | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | 10.1038/s41467-023-40064-9 | |||
CHEMBL715 | 2914 | None | 65 | Human | Functional | pAC50 | = | 6.5 | 6.5 | -12 | 33 | ChEMBL | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | 10.1038/s41467-023-40064-9 | |||
DB00334 | 2914 | None | 65 | Human | Functional | pAC50 | = | 6.5 | 6.5 | -12 | 33 | ChEMBL | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | 10.1038/s41467-023-40064-9 | |||
135409453 | 3773 | None | 26 | Human | Functional | pAC50 | = | 6.5 | 6.5 | -208 | 35 | ChEMBL | 301 | 7 | 3 | 3 | 2.6 | CCCCCN=C(N/N=C/c1c[nH]c2c1cc(OC)cc2)N | 10.1038/s41467-023-40064-9 | |||
226 | 3773 | None | 26 | Human | Functional | pAC50 | = | 6.5 | 6.5 | -208 | 35 | ChEMBL | 301 | 7 | 3 | 3 | 2.6 | CCCCCN=C(N/N=C/c1c[nH]c2c1cc(OC)cc2)N | 10.1038/s41467-023-40064-9 | |||
CHEMBL76370 | 3773 | None | 26 | Human | Functional | pAC50 | = | 6.5 | 6.5 | -208 | 35 | ChEMBL | 301 | 7 | 3 | 3 | 2.6 | CCCCCN=C(N/N=C/c1c[nH]c2c1cc(OC)cc2)N | 10.1038/s41467-023-40064-9 | |||
10531 | 1420 | None | 13 | Human | Functional | pAC50 | = | 6.5 | 6.5 | -1949 | 29 | 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 | |||
10531.0 | 1420 | None | 13 | Human | Functional | pAC50 | = | 6.5 | 6.5 | -1949 | 29 | 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 | None | 13 | Human | Functional | pAC50 | = | 6.5 | 6.5 | -1949 | 29 | 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 | None | 13 | Human | Functional | pAC50 | = | 6.5 | 6.5 | -1949 | 29 | 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 | None | 13 | Human | Functional | pAC50 | = | 6.5 | 6.5 | -1949 | 29 | 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 | None | 13 | Human | Functional | pAC50 | = | 6.5 | 6.5 | -1949 | 29 | 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 | |||
37 | 778 | None | 41 | Human | Functional | pAC50 | = | 7.4 | 7.4 | -32 | 12 | 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 | None | 41 | Human | Functional | pAC50 | = | 7.4 | 7.4 | -32 | 12 | 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 | None | 41 | Human | Functional | pAC50 | = | 7.4 | 7.4 | -32 | 12 | 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 | |||
54746.0 | 778 | None | 41 | Human | Functional | pAC50 | = | 7.4 | 7.4 | -32 | 12 | 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 | None | 41 | Human | Functional | pAC50 | = | 7.4 | 7.4 | -32 | 12 | 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 | None | 41 | Human | Functional | pAC50 | = | 7.4 | 7.4 | -32 | 12 | 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 | |||
1816 | 2540 | None | 64 | Human | Functional | pAC50 | = | 5.4 | 5.4 | -562 | 12 | ChEMBL | 265 | 0 | 0 | 3 | 2.5 | CN1CCN2C(C1)c1ccccc1Cc1c2nccc1 | 10.1038/s41467-023-40064-9 | |||
4205 | 2540 | None | 64 | Human | Functional | pAC50 | = | 5.4 | 5.4 | -562 | 12 | ChEMBL | 265 | 0 | 0 | 3 | 2.5 | CN1CCN2C(C1)c1ccccc1Cc1c2nccc1 | 10.1038/s41467-023-40064-9 | |||
4205.0 | 2540 | None | 64 | Human | Functional | pAC50 | = | 5.4 | 5.4 | -562 | 12 | ChEMBL | 265 | 0 | 0 | 3 | 2.5 | CN1CCN2C(C1)c1ccccc1Cc1c2nccc1 | 10.1038/s41467-023-40064-9 | |||
7241 | 2540 | None | 64 | Human | Functional | pAC50 | = | 5.4 | 5.4 | -562 | 12 | ChEMBL | 265 | 0 | 0 | 3 | 2.5 | CN1CCN2C(C1)c1ccccc1Cc1c2nccc1 | 10.1038/s41467-023-40064-9 | |||
CHEMBL654 | 2540 | None | 64 | Human | Functional | pAC50 | = | 5.4 | 5.4 | -562 | 12 | ChEMBL | 265 | 0 | 0 | 3 | 2.5 | CN1CCN2C(C1)c1ccccc1Cc1c2nccc1 | 10.1038/s41467-023-40064-9 | |||
DB00370 | 2540 | None | 64 | Human | Functional | pAC50 | = | 5.4 | 5.4 | -562 | 12 | ChEMBL | 265 | 0 | 0 | 3 | 2.5 | CN1CCN2C(C1)c1ccccc1Cc1c2nccc1 | 10.1038/s41467-023-40064-9 | |||
2865 | 4143 | None | 47 | Human | Functional | pAC50 | = | 6.4 | 6.4 | -11 | 20 | 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 | None | 47 | Human | Functional | pAC50 | = | 6.4 | 6.4 | -11 | 20 | 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 | None | 47 | Human | Functional | pAC50 | = | 6.4 | 6.4 | -11 | 20 | ChEMBL | 412 | 4 | 1 | 5 | 3.8 | O=C1Nc2c(C1)cc(c(c2)Cl)CCN1CCN(CC1)c1nsc2c1cccc2 | 10.1038/s41467-023-40064-9 | |||
60854.0 | 4143 | None | 47 | Human | Functional | pAC50 | = | 6.4 | 6.4 | -11 | 20 | 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 | None | 47 | Human | Functional | pAC50 | = | 6.4 | 6.4 | -11 | 20 | 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 | None | 47 | Human | Functional | pAC50 | = | 6.4 | 6.4 | -11 | 20 | ChEMBL | 412 | 4 | 1 | 5 | 3.8 | O=C1Nc2c(C1)cc(c(c2)Cl)CCN1CCN(CC1)c1nsc2c1cccc2 | 10.1038/s41467-023-40064-9 | |||
68555 | 103167 | None | 14 | Human | Functional | pAC50 | = | 7.4 | 7.4 | 3 | 7 | ChEMBL | 307 | 7 | 1 | 5 | 2.6 | CNCCc1ccc(OC(=O)C(C)C)c(OC(=O)C(C)C)c1 | 10.1038/s41467-023-40064-9 | |||
CHEMBL307739 | 103167 | None | 14 | Human | Functional | pAC50 | = | 7.4 | 7.4 | 3 | 7 | ChEMBL | 307 | 7 | 1 | 5 | 2.6 | CNCCc1ccc(OC(=O)C(C)C)c(OC(=O)C(C)C)c1 | 10.1038/s41467-023-40064-9 | |||
214 | 3860 | None | 43 | Human | Functional | pAC50 | = | 6.4 | 6.4 | -16 | 28 | ChEMBL | 407 | 4 | 0 | 4 | 4.9 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | 10.1038/s41467-023-40064-9 | |||
2740 | 3860 | None | 43 | Human | Functional | pAC50 | = | 6.4 | 6.4 | -16 | 28 | ChEMBL | 407 | 4 | 0 | 4 | 4.9 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | 10.1038/s41467-023-40064-9 | |||
5566 | 3860 | None | 43 | Human | Functional | pAC50 | = | 6.4 | 6.4 | -16 | 28 | ChEMBL | 407 | 4 | 0 | 4 | 4.9 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | 10.1038/s41467-023-40064-9 | |||
5566.0 | 3860 | None | 43 | Human | Functional | pAC50 | = | 6.4 | 6.4 | -16 | 28 | ChEMBL | 407 | 4 | 0 | 4 | 4.9 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | 10.1038/s41467-023-40064-9 | |||
66064 | 3860 | None | 43 | Human | Functional | pAC50 | = | 6.4 | 6.4 | -16 | 28 | ChEMBL | 407 | 4 | 0 | 4 | 4.9 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | 10.1038/s41467-023-40064-9 | |||
CHEMBL422 | 3860 | None | 43 | Human | Functional | pAC50 | = | 6.4 | 6.4 | -16 | 28 | ChEMBL | 407 | 4 | 0 | 4 | 4.9 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | 10.1038/s41467-023-40064-9 | |||
DB00831 | 3860 | None | 43 | Human | Functional | pAC50 | = | 6.4 | 6.4 | -16 | 28 | ChEMBL | 407 | 4 | 0 | 4 | 4.9 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | 10.1038/s41467-023-40064-9 | |||
25382 | 9159 | None | 27 | Human | Functional | pAC50 | = | 5.4 | 5.4 | -120 | 21 | ChEMBL | 291 | 3 | 0 | 1 | 4.7 | CN(C)CCC=C1c2ccccc2C(C)(C)c2ccccc21 | 10.1038/s41467-023-40064-9 | |||
CHEMBL110094 | 9159 | None | 27 | Human | Functional | pAC50 | = | 5.4 | 5.4 | -120 | 21 | ChEMBL | 291 | 3 | 0 | 1 | 4.7 | CN(C)CCC=C1c2ccccc2C(C)(C)c2ccccc21 | 10.1038/s41467-023-40064-9 | |||
49806720 | 60100 | None | 66 | Human | Functional | pAC50 | = | 5.4 | 5.4 | -9 | 4 | ChEMBL | 482 | 3 | 1 | 5 | 4.8 | CCc1cc2c(cc1N1CCC(N3CCOCC3)CC1)C(C)(C)c1[nH]c3cc(C#N)ccc3c1C2=O | 10.1038/s41467-023-40064-9 | |||
CHEMBL1738797 | 60100 | None | 66 | Human | Functional | pAC50 | = | 5.4 | 5.4 | -9 | 4 | ChEMBL | 482 | 3 | 1 | 5 | 4.8 | CCc1cc2c(cc1N1CCC(N3CCOCC3)CC1)C(C)(C)c1[nH]c3cc(C#N)ccc3c1C2=O | 10.1038/s41467-023-40064-9 | |||
5472 | 208276 | None | 49 | Human | Functional | pAC50 | = | 5.3 | 5.3 | -7 | 16 | ChEMBL | 263 | 2 | 0 | 2 | 4.0 | Clc1ccccc1CN1CCc2sccc2C1 | 10.1038/s41467-023-40064-9 | |||
5472.0 | 208276 | None | 49 | Human | Functional | pAC50 | = | 5.3 | 5.3 | -7 | 16 | ChEMBL | 263 | 2 | 0 | 2 | 4.0 | Clc1ccccc1CN1CCc2sccc2C1 | 10.1038/s41467-023-40064-9 | |||
CHEMBL1717 | 208276 | None | 49 | Human | Functional | pAC50 | = | 5.3 | 5.3 | -7 | 16 | ChEMBL | 263 | 2 | 0 | 2 | 4.0 | Clc1ccccc1CN1CCc2sccc2C1 | 10.1038/s41467-023-40064-9 | |||
CHEMBL833 | 208276 | None | 49 | Human | Functional | pAC50 | = | 5.3 | 5.3 | -7 | 16 | ChEMBL | 263 | 2 | 0 | 2 | 4.0 | Clc1ccccc1CN1CCc2sccc2C1 | 10.1038/s41467-023-40064-9 | |||
DB00208 | 208276 | None | 49 | Human | Functional | pAC50 | = | 5.3 | 5.3 | -7 | 16 | ChEMBL | 263 | 2 | 0 | 2 | 4.0 | Clc1ccccc1CN1CCc2sccc2C1 | 10.1038/s41467-023-40064-9 | |||
2601 | 3780 | None | 25 | Human | Functional | pAC50 | = | 7.3 | 7.3 | -45 | 17 | 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 | None | 25 | Human | Functional | pAC50 | = | 7.3 | 7.3 | -45 | 17 | 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 | None | 25 | Human | Functional | pAC50 | = | 7.3 | 7.3 | -45 | 17 | 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 | None | 25 | Human | Functional | pAC50 | = | 7.3 | 7.3 | -45 | 17 | 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 | None | 25 | Human | Functional | pAC50 | = | 7.3 | 7.3 | -45 | 17 | 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 | |||
242 | 470 | None | 70 | Human | Functional | pAC50 | = | 5.3 | 5.3 | -794 | 33 | 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 | None | 70 | Human | Functional | pAC50 | = | 5.3 | 5.3 | -794 | 33 | 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 | None | 70 | Human | Functional | pAC50 | = | 5.3 | 5.3 | -794 | 33 | ChEMBL | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | 10.1038/s41467-023-40064-9 | |||
60795.0 | 470 | None | 70 | Human | Functional | pAC50 | = | 5.3 | 5.3 | -794 | 33 | 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 | None | 70 | Human | Functional | pAC50 | = | 5.3 | 5.3 | -794 | 33 | 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 | None | 70 | Human | Functional | pAC50 | = | 5.3 | 5.3 | -794 | 33 | ChEMBL | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | 10.1038/s41467-023-40064-9 | |||
103 | 4153 | None | 44 | Human | Functional | pAC50 | = | 6.3 | 6.3 | -79 | 22 | ChEMBL | 331 | 4 | 0 | 3 | 4.9 | CN(CCOC1=Cc2ccccc2Sc2c1cc(Cl)cc2)C | 10.1038/s41467-023-40064-9 | |||
2875 | 4153 | None | 44 | Human | Functional | pAC50 | = | 6.3 | 6.3 | -79 | 22 | ChEMBL | 331 | 4 | 0 | 3 | 4.9 | CN(CCOC1=Cc2ccccc2Sc2c1cc(Cl)cc2)C | 10.1038/s41467-023-40064-9 | |||
5736 | 4153 | None | 44 | Human | Functional | pAC50 | = | 6.3 | 6.3 | -79 | 22 | ChEMBL | 331 | 4 | 0 | 3 | 4.9 | CN(CCOC1=Cc2ccccc2Sc2c1cc(Cl)cc2)C | 10.1038/s41467-023-40064-9 | |||
CHEMBL285802 | 4153 | None | 44 | Human | Functional | pAC50 | = | 6.3 | 6.3 | -79 | 22 | ChEMBL | 331 | 4 | 0 | 3 | 4.9 | CN(CCOC1=Cc2ccccc2Sc2c1cc(Cl)cc2)C | 10.1038/s41467-023-40064-9 | |||
DB09225 | 4153 | None | 44 | Human | Functional | pAC50 | = | 6.3 | 6.3 | -79 | 22 | ChEMBL | 331 | 4 | 0 | 3 | 4.9 | CN(CCOC1=Cc2ccccc2Sc2c1cc(Cl)cc2)C | 10.1038/s41467-023-40064-9 | |||
3718 | 52052 | None | 54 | Human | Functional | pAC50 | = | 6.3 | 6.3 | - | 1 | ChEMBL | 281 | 3 | 1 | 2 | 3.0 | CC(C(=O)O)c1ccc(N2Cc3ccccc3C2=O)cc1 | 10.1038/s41467-023-40064-9 | |||
CHEMBL15870 | 52052 | None | 54 | Human | Functional | pAC50 | = | 6.3 | 6.3 | - | 1 | ChEMBL | 281 | 3 | 1 | 2 | 3.0 | CC(C(=O)O)c1ccc(N2Cc3ccccc3C2=O)cc1 | 10.1038/s41467-023-40064-9 | |||
1043 | 1582 | None | 6 | Human | Functional | pAC50 | = | 6.2 | 6.2 | -5011 | 22 | ChEMBL | 581 | 4 | 3 | 6 | 2.0 | O=C([C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)N[C@]1(C)O[C@@]2(N(C1=O)[C@@H](Cc1ccccc1)C(=O)N1[C@H]2CCC1)O | 10.1038/s41467-023-40064-9 | |||
149 | 1582 | None | 6 | Human | Functional | pAC50 | = | 6.2 | 6.2 | -5011 | 22 | ChEMBL | 581 | 4 | 3 | 6 | 2.0 | O=C([C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)N[C@]1(C)O[C@@]2(N(C1=O)[C@@H](Cc1ccccc1)C(=O)N1[C@H]2CCC1)O | 10.1038/s41467-023-40064-9 | |||
8223 | 1582 | None | 6 | Human | Functional | pAC50 | = | 6.2 | 6.2 | -5011 | 22 | ChEMBL | 581 | 4 | 3 | 6 | 2.0 | O=C([C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)N[C@]1(C)O[C@@]2(N(C1=O)[C@@H](Cc1ccccc1)C(=O)N1[C@H]2CCC1)O | 10.1038/s41467-023-40064-9 | |||
8223.0 | 1582 | None | 6 | Human | Functional | pAC50 | = | 6.2 | 6.2 | -5011 | 22 | ChEMBL | 581 | 4 | 3 | 6 | 2.0 | O=C([C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)N[C@]1(C)O[C@@]2(N(C1=O)[C@@H](Cc1ccccc1)C(=O)N1[C@H]2CCC1)O | 10.1038/s41467-023-40064-9 | |||
CHEMBL442 | 1582 | None | 6 | Human | Functional | pAC50 | = | 6.2 | 6.2 | -5011 | 22 | ChEMBL | 581 | 4 | 3 | 6 | 2.0 | O=C([C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)N[C@]1(C)O[C@@]2(N(C1=O)[C@@H](Cc1ccccc1)C(=O)N1[C@H]2CCC1)O | 10.1038/s41467-023-40064-9 | |||
DB00696 | 1582 | None | 6 | Human | Functional | pAC50 | = | 6.2 | 6.2 | -5011 | 22 | ChEMBL | 581 | 4 | 3 | 6 | 2.0 | O=C([C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)N[C@]1(C)O[C@@]2(N(C1=O)[C@@H](Cc1ccccc1)C(=O)N1[C@H]2CCC1)O | 10.1038/s41467-023-40064-9 | |||
1353 | 1911 | None | 63 | Human | Functional | pAC50 | = | 6.2 | 6.2 | -27 | 39 | 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 | None | 63 | Human | Functional | pAC50 | = | 6.2 | 6.2 | -27 | 39 | ChEMBL | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | 10.1038/s41467-023-40064-9 | |||
3559.0 | 1911 | None | 63 | Human | Functional | pAC50 | = | 6.2 | 6.2 | -27 | 39 | 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 | None | 63 | Human | Functional | pAC50 | = | 6.2 | 6.2 | -27 | 39 | 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 | None | 63 | Human | Functional | pAC50 | = | 6.2 | 6.2 | -27 | 39 | 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 | None | 63 | Human | Functional | pAC50 | = | 6.2 | 6.2 | -27 | 39 | ChEMBL | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | 10.1038/s41467-023-40064-9 | |||
2220 | 3134 | None | 58 | Human | Functional | pAC50 | = | 6.2 | 6.2 | -234 | 17 | ChEMBL | 295 | 0 | 0 | 2 | 4.4 | CN1CCC(=C2c3ccsc3CCc3c2cccc3)CC1 | 10.1038/s41467-023-40064-9 | |||
27400 | 3134 | None | 58 | Human | Functional | pAC50 | = | 6.2 | 6.2 | -234 | 17 | ChEMBL | 295 | 0 | 0 | 2 | 4.4 | CN1CCC(=C2c3ccsc3CCc3c2cccc3)CC1 | 10.1038/s41467-023-40064-9 | |||
27400.0 | 3134 | None | 58 | Human | Functional | pAC50 | = | 6.2 | 6.2 | -234 | 17 | ChEMBL | 295 | 0 | 0 | 2 | 4.4 | CN1CCC(=C2c3ccsc3CCc3c2cccc3)CC1 | 10.1038/s41467-023-40064-9 | |||
93 | 3134 | None | 58 | Human | Functional | pAC50 | = | 6.2 | 6.2 | -234 | 17 | ChEMBL | 295 | 0 | 0 | 2 | 4.4 | CN1CCC(=C2c3ccsc3CCc3c2cccc3)CC1 | 10.1038/s41467-023-40064-9 | |||
CHEMBL294951 | 3134 | None | 58 | Human | Functional | pAC50 | = | 6.2 | 6.2 | -234 | 17 | ChEMBL | 295 | 0 | 0 | 2 | 4.4 | CN1CCC(=C2c3ccsc3CCc3c2cccc3)CC1 | 10.1038/s41467-023-40064-9 | |||
DB06153 | 3134 | None | 58 | Human | Functional | pAC50 | = | 6.2 | 6.2 | -234 | 17 | ChEMBL | 295 | 0 | 0 | 2 | 4.4 | CN1CCC(=C2c3ccsc3CCc3c2cccc3)CC1 | 10.1038/s41467-023-40064-9 | |||
2337 | 3256 | None | 51 | Human | Functional | pAC50 | = | 5.2 | 5.2 | -66 | 29 | ChEMBL | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | 10.1038/s41467-023-40064-9 | |||
50 | 3256 | None | 51 | Human | Functional | pAC50 | = | 5.2 | 5.2 | -66 | 29 | ChEMBL | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | 10.1038/s41467-023-40064-9 | |||
5002 | 3256 | None | 51 | Human | Functional | pAC50 | = | 5.2 | 5.2 | -66 | 29 | ChEMBL | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | 10.1038/s41467-023-40064-9 | |||
5002.0 | 3256 | None | 51 | Human | Functional | pAC50 | = | 5.2 | 5.2 | -66 | 29 | ChEMBL | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | 10.1038/s41467-023-40064-9 | |||
CHEMBL716 | 3256 | None | 51 | Human | Functional | pAC50 | = | 5.2 | 5.2 | -66 | 29 | ChEMBL | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | 10.1038/s41467-023-40064-9 | |||
DB01224 | 3256 | None | 51 | Human | Functional | pAC50 | = | 5.2 | 5.2 | -66 | 29 | ChEMBL | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | 10.1038/s41467-023-40064-9 | |||
5852 | 2617 | None | 48 | Human | Functional | pAC50 | = | 5.1 | 5.1 | -91 | 6 | ChEMBL | 419 | 11 | 1 | 5 | 4.9 | OC(=O)COCCCCN(c1cnc(c(n1)c1ccccc1)c1ccccc1)C(C)C | 10.1038/s41467-023-40064-9 | |||
9931891 | 2617 | None | 48 | Human | Functional | pAC50 | = | 5.1 | 5.1 | -91 | 6 | ChEMBL | 419 | 11 | 1 | 5 | 4.9 | OC(=O)COCCCCN(c1cnc(c(n1)c1ccccc1)c1ccccc1)C(C)C | 10.1038/s41467-023-40064-9 | |||
CHEMBL239226 | 2617 | None | 48 | Human | Functional | pAC50 | = | 5.1 | 5.1 | -91 | 6 | ChEMBL | 419 | 11 | 1 | 5 | 4.9 | OC(=O)COCCCCN(c1cnc(c(n1)c1ccccc1)c1ccccc1)C(C)C | 10.1038/s41467-023-40064-9 | |||
16363 | 596 | None | 33 | Human | Functional | pAC50 | = | 5.1 | 5.1 | -1445 | 21 | ChEMBL | 381 | 6 | 1 | 4 | 3.8 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)n1c(=O)[nH]c2c1cccc2 | 10.1038/s41467-023-40064-9 | |||
16363.0 | 596 | None | 33 | Human | Functional | pAC50 | = | 5.1 | 5.1 | -1445 | 21 | ChEMBL | 381 | 6 | 1 | 4 | 3.8 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)n1c(=O)[nH]c2c1cccc2 | 10.1038/s41467-023-40064-9 | |||
312 | 596 | None | 33 | Human | Functional | pAC50 | = | 5.1 | 5.1 | -1445 | 21 | ChEMBL | 381 | 6 | 1 | 4 | 3.8 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)n1c(=O)[nH]c2c1cccc2 | 10.1038/s41467-023-40064-9 | |||
9215 | 596 | None | 33 | Human | Functional | pAC50 | = | 5.1 | 5.1 | -1445 | 21 | ChEMBL | 381 | 6 | 1 | 4 | 3.8 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)n1c(=O)[nH]c2c1cccc2 | 10.1038/s41467-023-40064-9 | |||
CHEMBL297302 | 596 | None | 33 | Human | Functional | pAC50 | = | 5.1 | 5.1 | -1445 | 21 | ChEMBL | 381 | 6 | 1 | 4 | 3.8 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)n1c(=O)[nH]c2c1cccc2 | 10.1038/s41467-023-40064-9 | |||
DB12867 | 596 | None | 33 | Human | Functional | pAC50 | = | 5.1 | 5.1 | -1445 | 21 | ChEMBL | 381 | 6 | 1 | 4 | 3.8 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)n1c(=O)[nH]c2c1cccc2 | 10.1038/s41467-023-40064-9 | |||
1830 | 2590 | None | 33 | Human | Functional | pAC50 | = | 6.1 | 6.1 | -81 | 11 | ChEMBL | 276 | 3 | 1 | 3 | 2.0 | CCc1c(C)[nH]c2c1C(=O)C(CC2)CN1CCOCC1 | 10.1038/s41467-023-40064-9 | |||
207 | 2590 | None | 33 | Human | Functional | pAC50 | = | 6.1 | 6.1 | -81 | 11 | ChEMBL | 276 | 3 | 1 | 3 | 2.0 | CCc1c(C)[nH]c2c1C(=O)C(CC2)CN1CCOCC1 | 10.1038/s41467-023-40064-9 | |||
23897 | 2590 | None | 33 | Human | Functional | pAC50 | = | 6.1 | 6.1 | -81 | 11 | ChEMBL | 276 | 3 | 1 | 3 | 2.0 | CCc1c(C)[nH]c2c1C(=O)C(CC2)CN1CCOCC1 | 10.1038/s41467-023-40064-9 | |||
23897.0 | 2590 | None | 33 | Human | Functional | pAC50 | = | 6.1 | 6.1 | -81 | 11 | ChEMBL | 276 | 3 | 1 | 3 | 2.0 | CCc1c(C)[nH]c2c1C(=O)C(CC2)CN1CCOCC1 | 10.1038/s41467-023-40064-9 | |||
CHEMBL460 | 2590 | None | 33 | Human | Functional | pAC50 | = | 6.1 | 6.1 | -81 | 11 | ChEMBL | 276 | 3 | 1 | 3 | 2.0 | CCc1c(C)[nH]c2c1C(=O)C(CC2)CN1CCOCC1 | 10.1038/s41467-023-40064-9 | |||
DB01618 | 2590 | None | 33 | Human | Functional | pAC50 | = | 6.1 | 6.1 | -81 | 11 | ChEMBL | 276 | 3 | 1 | 3 | 2.0 | CCc1c(C)[nH]c2c1C(=O)C(CC2)CN1CCOCC1 | 10.1038/s41467-023-40064-9 | |||
681 | 1465 | None | 47 | Human | Functional | pAC50 | = | 5.0 | 5.0 | -54 | 15 | ChEMBL | 153 | 2 | 3 | 3 | 0.6 | NCCc1ccc(c(c1)O)O | 10.1038/s41467-023-40064-9 | |||
681.0 | 1465 | None | 47 | Human | Functional | pAC50 | = | 5.0 | 5.0 | -54 | 15 | ChEMBL | 153 | 2 | 3 | 3 | 0.6 | NCCc1ccc(c(c1)O)O | 10.1038/s41467-023-40064-9 | |||
940 | 1465 | None | 47 | Human | Functional | pAC50 | = | 5.0 | 5.0 | -54 | 15 | ChEMBL | 153 | 2 | 3 | 3 | 0.6 | NCCc1ccc(c(c1)O)O | 10.1038/s41467-023-40064-9 | |||
947 | 1465 | None | 47 | Human | Functional | pAC50 | = | 5.0 | 5.0 | -54 | 15 | ChEMBL | 153 | 2 | 3 | 3 | 0.6 | NCCc1ccc(c(c1)O)O | 10.1038/s41467-023-40064-9 | |||
CHEMBL59 | 1465 | None | 47 | Human | Functional | pAC50 | = | 5.0 | 5.0 | -54 | 15 | ChEMBL | 153 | 2 | 3 | 3 | 0.6 | NCCc1ccc(c(c1)O)O | 10.1038/s41467-023-40064-9 | |||
DB00988 | 1465 | None | 47 | Human | Functional | pAC50 | = | 5.0 | 5.0 | -54 | 15 | ChEMBL | 153 | 2 | 3 | 3 | 0.6 | NCCc1ccc(c(c1)O)O | 10.1038/s41467-023-40064-9 | |||
212 | 3806 | None | 35 | Human | Functional | pAC50 | = | 6.0 | 6.0 | -41 | 22 | 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 | None | 35 | Human | Functional | pAC50 | = | 6.0 | 6.0 | -41 | 22 | 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 | None | 35 | Human | Functional | pAC50 | = | 6.0 | 6.0 | -41 | 22 | 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 | |||
941651.0 | 3806 | None | 35 | Human | Functional | pAC50 | = | 6.0 | 6.0 | -41 | 22 | 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 | None | 35 | Human | Functional | pAC50 | = | 6.0 | 6.0 | -41 | 22 | 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 | None | 35 | Human | Functional | pAC50 | = | 6.0 | 6.0 | -41 | 22 | 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 | |||
10020353 | 13894 | None | 19 | Human | Functional | pEC50 | = | 9.9 | 9.9 | 12022 | 2 | ChEMBL | 343 | 3 | 2 | 3 | 4.2 | C=CCN1CCc2c(cc(O)c(O)c2Cl)C(c2cccc(C)c2)C1 | 10.1021/acs.jmedchem.8b00435 | |||
CHEMBL1196161 | 13894 | None | 19 | Human | Functional | pEC50 | = | 9.9 | 9.9 | 12022 | 2 | ChEMBL | 343 | 3 | 2 | 3 | 4.2 | C=CCN1CCc2c(cc(O)c(O)c2Cl)C(c2cccc(C)c2)C1 | 10.1021/acs.jmedchem.8b00435 | |||
CHEMBL556024 | 13894 | None | 19 | Human | Functional | pEC50 | = | 9.9 | 9.9 | 12022 | 2 | ChEMBL | 343 | 3 | 2 | 3 | 4.2 | C=CCN1CCc2c(cc(O)c(O)c2Cl)C(c2cccc(C)c2)C1 | 10.1021/acs.jmedchem.8b00435 | |||
133538 | 3619 | None | 21 | Human | Functional | pEC50 | = | 9.7 | 9.7 | 1584 | 2 | ChEMBL | 317 | 1 | 2 | 3 | 3.7 | CN1CCc2c(C(C1)c1cccc(c1)C)cc(c(c2Cl)O)O | 10.1021/acs.jmedchem.8b00435 | |||
8443 | 3619 | None | 21 | Human | Functional | pEC50 | = | 9.7 | 9.7 | 1584 | 2 | ChEMBL | 317 | 1 | 2 | 3 | 3.7 | CN1CCc2c(C(C1)c1cccc(c1)C)cc(c(c2Cl)O)O | 10.1021/acs.jmedchem.8b00435 | |||
CHEMBL574558 | 3619 | None | 21 | Human | Functional | pEC50 | = | 9.7 | 9.7 | 1584 | 2 | ChEMBL | 317 | 1 | 2 | 3 | 3.7 | CN1CCc2c(C(C1)c1cccc(c1)C)cc(c(c2Cl)O)O | 10.1021/acs.jmedchem.8b00435 | |||
146025713 | 171714 | None | 0 | Human | Functional | pEC50 | = | 9.6 | 9.6 | - | 1 | ChEMBL | 372 | 3 | 0 | 6 | 5.4 | Cc1cc(Oc2nccc3ccsc23)ccc1-c1c(C)ncc2nccn12 | 10.1021/acs.jmedchem.9b00351 | |||
CHEMBL4465393 | 171714 | None | 0 | Human | Functional | pEC50 | = | 9.6 | 9.6 | - | 1 | ChEMBL | 372 | 3 | 0 | 6 | 5.4 | Cc1cc(Oc2nccc3ccsc23)ccc1-c1c(C)ncc2nccn12 | 10.1021/acs.jmedchem.9b00351 | |||
146025713 | 171714 | None | 0 | Human | Functional | pEC50 | = | 9.6 | 9.6 | - | 1 | ChEMBL | 372 | 3 | 0 | 6 | 5.4 | Cc1cc(Oc2nccc3ccsc23)ccc1-c1c(C)ncc2nccn12 | 10.1021/acs.jmedchem.9b00351 | |||
CHEMBL4465393 | 171714 | None | 0 | Human | Functional | pEC50 | = | 9.6 | 9.6 | - | 1 | ChEMBL | 372 | 3 | 0 | 6 | 5.4 | Cc1cc(Oc2nccc3ccsc23)ccc1-c1c(C)ncc2nccn12 | 10.1021/acs.jmedchem.9b00351 | |||
75201901 | 166520 | None | 21 | Human | Functional | pEC50 | = | 9.6 | 9.6 | 95 | 4 | ChEMBL | 356 | 3 | 0 | 6 | 4.9 | Cc1cc(Oc2nccc3occc23)ccc1-c1c(C)ncc2nccn12 | 10.1021/acs.jmedchem.9b00351 | |||
CHEMBL4277264 | 166520 | None | 21 | Human | Functional | pEC50 | = | 9.6 | 9.6 | 95 | 4 | ChEMBL | 356 | 3 | 0 | 6 | 4.9 | Cc1cc(Oc2nccc3occc23)ccc1-c1c(C)ncc2nccn12 | 10.1021/acs.jmedchem.9b00351 | |||
75201901 | 166520 | None | 21 | Human | Functional | pEC50 | = | 9.6 | 9.6 | 95 | 4 | ChEMBL | 356 | 3 | 0 | 6 | 4.9 | Cc1cc(Oc2nccc3occc23)ccc1-c1c(C)ncc2nccn12 | 10.1021/acs.jmedchem.9b00351 | |||
CHEMBL4277264 | 166520 | None | 21 | Human | Functional | pEC50 | = | 9.6 | 9.6 | 95 | 4 | ChEMBL | 356 | 3 | 0 | 6 | 4.9 | Cc1cc(Oc2nccc3occc23)ccc1-c1c(C)ncc2nccn12 | 10.1021/acs.jmedchem.9b00351 | |||
75202022 | 170913 | None | 5 | Human | Functional | pEC50 | = | 9.5 | 9.5 | 1 | 2 | ChEMBL | 363 | 3 | 1 | 6 | 3.3 | Cc1cc(Oc2nccc3occc23)ccc1-c1c(C)c(=O)[nH]c(=O)n1C | 10.1016/j.ejmech.2022.114378 | |||
CHEMBL4453318 | 170913 | None | 5 | Human | Functional | pEC50 | = | 9.5 | 9.5 | 1 | 2 | ChEMBL | 363 | 3 | 1 | 6 | 3.3 | Cc1cc(Oc2nccc3occc23)ccc1-c1c(C)c(=O)[nH]c(=O)n1C | 10.1016/j.ejmech.2022.114378 | |||
16219951 | 172163 | None | 1 | Human | Functional | pEC50 | = | 9.5 | 9.5 | - | 1 | ChEMBL | 303 | 1 | 2 | 3 | 3.4 | CN1CCc2c(cc(O)c(O)c2Cl)[C@@H](c2ccccc2)C1 | 10.1021/acs.jmedchem.8b00435 | |||
CHEMBL4472022 | 172163 | None | 1 | Human | Functional | pEC50 | = | 9.5 | 9.5 | - | 1 | ChEMBL | 303 | 1 | 2 | 3 | 3.4 | CN1CCc2c(cc(O)c(O)c2Cl)[C@@H](c2ccccc2)C1 | 10.1021/acs.jmedchem.8b00435 | |||
75202022 | 170913 | None | 5 | Human | Functional | pEC50 | = | 9.5 | 9.5 | 1 | 2 | ChEMBL | 363 | 3 | 1 | 6 | 3.3 | Cc1cc(Oc2nccc3occc23)ccc1-c1c(C)c(=O)[nH]c(=O)n1C | 10.1021/acsmedchemlett.9b00050 | |||
CHEMBL4453318 | 170913 | None | 5 | Human | Functional | pEC50 | = | 9.5 | 9.5 | 1 | 2 | ChEMBL | 363 | 3 | 1 | 6 | 3.3 | Cc1cc(Oc2nccc3occc23)ccc1-c1c(C)c(=O)[nH]c(=O)n1C | 10.1021/acsmedchemlett.9b00050 | |||
173871 | 3614 | None | 1 | Human | Functional | pEC50 | = | 9.4 | 9.4 | - | 1 | ChEMBL | 269 | 1 | 2 | 3 | 2.7 | CN1CCc2c(C(C1)c1ccccc1)cc(c(c2)O)O | 10.1021/acs.jmedchem.8b00435 | |||
936 | 3614 | None | 1 | Human | Functional | pEC50 | = | 9.4 | 9.4 | - | 1 | ChEMBL | 269 | 1 | 2 | 3 | 2.7 | CN1CCc2c(C(C1)c1ccccc1)cc(c(c2)O)O | 10.1021/acs.jmedchem.8b00435 | |||
CHEMBL1193571 | 3614 | None | 1 | Human | Functional | pEC50 | = | 9.4 | 9.4 | - | 1 | ChEMBL | 269 | 1 | 2 | 3 | 2.7 | CN1CCc2c(C(C1)c1ccccc1)cc(c(c2)O)O | 10.1021/acs.jmedchem.8b00435 | |||
46869265 | 16264 | None | 0 | Human | Functional | pEC50 | = | 9.2 | 9.2 | - | 1 | ChEMBL | 295 | 1 | 3 | 3 | 3.1 | Oc1ccc2c(c1O)C[C@@H](c1ccccc1)[C@@H]1CCNC[C@@H]21 | 10.1016/j.bmc.2010.07.052 | |||
CHEMBL1224527 | 16264 | None | 0 | Human | Functional | pEC50 | = | 9.2 | 9.2 | - | 1 | ChEMBL | 295 | 1 | 3 | 3 | 3.1 | Oc1ccc2c(c1O)C[C@@H](c1ccccc1)[C@@H]1CCNC[C@@H]21 | 10.1016/j.bmc.2010.07.052 | |||
10742 | 3617 | None | 24 | Human | Functional | pEC50 | = | 9.1 | 9.1 | 4 | 3 | ChEMBL | 329 | 3 | 2 | 3 | 3.9 | C=CCN1CCc2c(C(C1)c1ccccc1)cc(c(c2Cl)O)O | 10.1021/acs.jmedchem.8b00435 | |||
1225 | 3617 | None | 24 | Human | Functional | pEC50 | = | 9.1 | 9.1 | 4 | 3 | ChEMBL | 329 | 3 | 2 | 3 | 3.9 | C=CCN1CCc2c(C(C1)c1ccccc1)cc(c(c2Cl)O)O | 10.1021/acs.jmedchem.8b00435 | |||
CHEMBL35354 | 3617 | None | 24 | Human | Functional | pEC50 | = | 9.1 | 9.1 | 4 | 3 | ChEMBL | 329 | 3 | 2 | 3 | 3.9 | C=CCN1CCc2c(C(C1)c1ccccc1)cc(c(c2Cl)O)O | 10.1021/acs.jmedchem.8b00435 | |||
92044504 | 171830 | None | 0 | Human | Functional | pEC50 | = | 9.1 | 9.1 | - | 1 | ChEMBL | 355 | 3 | 0 | 6 | 4.5 | Cc1cc(Oc2nccn3cccc23)ccc1-c1c(C)ncc2nccn12 | 10.1021/acs.jmedchem.9b00351 | |||
CHEMBL4467080 | 171830 | None | 0 | Human | Functional | pEC50 | = | 9.1 | 9.1 | - | 1 | ChEMBL | 355 | 3 | 0 | 6 | 4.5 | Cc1cc(Oc2nccn3cccc23)ccc1-c1c(C)ncc2nccn12 | 10.1021/acs.jmedchem.9b00351 | |||
92044504 | 171830 | None | 0 | Human | Functional | pEC50 | = | 9.1 | 9.1 | - | 1 | ChEMBL | 355 | 3 | 0 | 6 | 4.5 | Cc1cc(Oc2nccn3cccc23)ccc1-c1c(C)ncc2nccn12 | 10.1021/acs.jmedchem.9b00351 | |||
CHEMBL4467080 | 171830 | None | 0 | Human | Functional | pEC50 | = | 9.1 | 9.1 | - | 1 | ChEMBL | 355 | 3 | 0 | 6 | 4.5 | Cc1cc(Oc2nccn3cccc23)ccc1-c1c(C)ncc2nccn12 | 10.1021/acs.jmedchem.9b00351 | |||
1241 | 100233 | None | 16 | Human | Functional | pEC50 | = | 9 | 9.0 | 22 | 3 | ChEMBL | 295 | 3 | 2 | 3 | 3.3 | C=CCN1CCc2cc(O)c(O)cc2C(c2ccccc2)C1 | 10.1021/acs.jmedchem.8b00435 | |||
CHEMBL288090 | 100233 | None | 16 | Human | Functional | pEC50 | = | 9 | 9.0 | 22 | 3 | ChEMBL | 295 | 3 | 2 | 3 | 3.3 | C=CCN1CCc2cc(O)c(O)cc2C(c2ccccc2)C1 | 10.1021/acs.jmedchem.8b00435 | |||
CHEMBL552611 | 100233 | None | 16 | Human | Functional | pEC50 | = | 9 | 9.0 | 22 | 3 | ChEMBL | 295 | 3 | 2 | 3 | 3.3 | C=CCN1CCc2cc(O)c(O)cc2C(c2ccccc2)C1 | 10.1021/acs.jmedchem.8b00435 | |||
44320092 | 161981 | None | 0 | Human | Functional | pEC50 | = | 9.0 | 9.0 | 346 | 2 | ChEMBL | 349 | 2 | 3 | 4 | 3.2 | NC[C@@H]1OC(c2ccc(Br)cc2)Cc2c1ccc(O)c2O | 10.1021/jm00112a034 | |||
CHEMBL415080 | 161981 | None | 0 | Human | Functional | pEC50 | = | 9.0 | 9.0 | 346 | 2 | ChEMBL | 349 | 2 | 3 | 4 | 3.2 | NC[C@@H]1OC(c2ccc(Br)cc2)Cc2c1ccc(O)c2O | 10.1021/jm00112a034 | |||
167715 | 2876 | None | 8 | Human | Functional | pEC50 | = | 9.0 | 9.0 | -151 | 4 | ChEMBL | 295 | 2 | 2 | 3 | 3.6 | CCCN1CCc2c3[C@H]1Cc1ccc(c(c1c3ccc2)O)O | 10.1021/acsmedchemlett.9b00575 | |||
969 | 2876 | None | 8 | Human | Functional | pEC50 | = | 9.0 | 9.0 | -151 | 4 | ChEMBL | 295 | 2 | 2 | 3 | 3.6 | CCCN1CCc2c3[C@H]1Cc1ccc(c(c1c3ccc2)O)O | 10.1021/acsmedchemlett.9b00575 | |||
CHEMBL225230 | 2876 | None | 8 | Human | Functional | pEC50 | = | 9.0 | 9.0 | -151 | 4 | ChEMBL | 295 | 2 | 2 | 3 | 3.6 | CCCN1CCc2c3[C@H]1Cc1ccc(c(c1c3ccc2)O)O | 10.1021/acsmedchemlett.9b00575 | |||
167715 | 2876 | None | 8 | Human | Functional | pEC50 | = | 9.0 | 9.0 | -151 | 4 | ChEMBL | 295 | 2 | 2 | 3 | 3.6 | CCCN1CCc2c3[C@H]1Cc1ccc(c(c1c3ccc2)O)O | 10.1021/acsmedchemlett.9b00575 | |||
969 | 2876 | None | 8 | Human | Functional | pEC50 | = | 9.0 | 9.0 | -151 | 4 | ChEMBL | 295 | 2 | 2 | 3 | 3.6 | CCCN1CCc2c3[C@H]1Cc1ccc(c(c1c3ccc2)O)O | 10.1021/acsmedchemlett.9b00575 | |||
CHEMBL225230 | 2876 | None | 8 | Human | Functional | pEC50 | = | 9.0 | 9.0 | -151 | 4 | ChEMBL | 295 | 2 | 2 | 3 | 3.6 | CCCN1CCc2c3[C@H]1Cc1ccc(c(c1c3ccc2)O)O | 10.1021/acsmedchemlett.9b00575 | |||
1242 | 3613 | None | 17 | Human | Functional | pEC50 | = | 9.0 | 9.0 | 1 | 3 | ChEMBL | 255 | 1 | 3 | 3 | 2.4 | Oc1cc2CCNCC(c2cc1O)c1ccccc1 | 10.1021/acs.jmedchem.8b00435 | |||
935 | 3613 | None | 17 | Human | Functional | pEC50 | = | 9.0 | 9.0 | 1 | 3 | ChEMBL | 255 | 1 | 3 | 3 | 2.4 | Oc1cc2CCNCC(c2cc1O)c1ccccc1 | 10.1021/acs.jmedchem.8b00435 | |||
CHEMBL286080 | 3613 | None | 17 | Human | Functional | pEC50 | = | 9.0 | 9.0 | 1 | 3 | ChEMBL | 255 | 1 | 3 | 3 | 2.4 | Oc1cc2CCNCC(c2cc1O)c1ccccc1 | 10.1021/acs.jmedchem.8b00435 | |||
10506 | 2524 | None | 24 | Human | Functional | pEC50 | = | 9.0 | 9.0 | 20 | 3 | ChEMBL | 449 | 6 | 2 | 3 | 4.7 | OC[C@H]1Cc2c(cccc2[C@@H](N1C(=O)Cc1c(Cl)cccc1Cl)C)CCC(O)(C)C | 10.1021/acs.jmedchem.8b01767 | |||
86290953 | 2524 | None | 24 | Human | Functional | pEC50 | = | 9.0 | 9.0 | 20 | 3 | ChEMBL | 449 | 6 | 2 | 3 | 4.7 | OC[C@H]1Cc2c(cccc2[C@@H](N1C(=O)Cc1c(Cl)cccc1Cl)C)CCC(O)(C)C | 10.1021/acs.jmedchem.8b01767 | |||
86290953.0 | 2524 | None | 24 | Human | Functional | pEC50 | = | 9.0 | 9.0 | 20 | 3 | ChEMBL | 449 | 6 | 2 | 3 | 4.7 | OC[C@H]1Cc2c(cccc2[C@@H](N1C(=O)Cc1c(Cl)cccc1Cl)C)CCC(O)(C)C | 10.1021/acs.jmedchem.8b01767 | |||
CHEMBL3421729 | 2524 | None | 24 | Human | Functional | pEC50 | = | 9.0 | 9.0 | 20 | 3 | ChEMBL | 449 | 6 | 2 | 3 | 4.7 | OC[C@H]1Cc2c(cccc2[C@@H](N1C(=O)Cc1c(Cl)cccc1Cl)C)CCC(O)(C)C | 10.1021/acs.jmedchem.8b01767 | |||
135 | 169385 | None | 72 | Human | Functional | pEC50 | = | 9.0 | 9.0 | - | 1 | ChEMBL | 138 | 1 | 2 | 2 | 1.1 | O=C(O)c1ccc(O)cc1 | 10.1021/acs.jmedchem.8b01767 | |||
3702506 | 169385 | None | 72 | Human | Functional | pEC50 | = | 9.0 | 9.0 | - | 1 | ChEMBL | 138 | 1 | 2 | 2 | 1.1 | O=C(O)c1ccc(O)cc1 | 10.1021/acs.jmedchem.8b01767 | |||
CHEMBL441343 | 169385 | None | 72 | Human | Functional | pEC50 | = | 9.0 | 9.0 | - | 1 | ChEMBL | 138 | 1 | 2 | 2 | 1.1 | O=C(O)c1ccc(O)cc1 | 10.1021/acs.jmedchem.8b01767 | |||
75201961 | 169733 | None | 0 | Human | Functional | pEC50 | = | 8.9 | 8.9 | - | 1 | ChEMBL | 331 | 3 | 0 | 5 | 5.0 | Cc1cc(Oc2nccc3occc23)ccc1-c1c(C)cnnc1C | 10.1021/acs.jmedchem.9b00351 | |||
CHEMBL4437012 | 169733 | None | 0 | Human | Functional | pEC50 | = | 8.9 | 8.9 | - | 1 | ChEMBL | 331 | 3 | 0 | 5 | 5.0 | Cc1cc(Oc2nccc3occc23)ccc1-c1c(C)cnnc1C | 10.1021/acs.jmedchem.9b00351 | |||
75201961 | 169733 | None | 0 | Human | Functional | pEC50 | = | 8.9 | 8.9 | - | 1 | ChEMBL | 331 | 3 | 0 | 5 | 5.0 | Cc1cc(Oc2nccc3occc23)ccc1-c1c(C)cnnc1C | 10.1021/acs.jmedchem.9b00351 | |||
CHEMBL4437012 | 169733 | None | 0 | Human | Functional | pEC50 | = | 8.9 | 8.9 | - | 1 | ChEMBL | 331 | 3 | 0 | 5 | 5.0 | Cc1cc(Oc2nccc3occc23)ccc1-c1c(C)cnnc1C | 10.1021/acs.jmedchem.9b00351 | |||
146025701 | 170674 | None | 0 | Human | Functional | pEC50 | = | 8.9 | 8.9 | - | 1 | ChEMBL | 357 | 3 | 1 | 7 | 4.2 | Cc1ncc2nccn2c1-c1ccc(Oc2nccc3occc23)cc1N | 10.1021/acs.jmedchem.9b00351 | |||
CHEMBL4450338 | 170674 | None | 0 | Human | Functional | pEC50 | = | 8.9 | 8.9 | - | 1 | ChEMBL | 357 | 3 | 1 | 7 | 4.2 | Cc1ncc2nccn2c1-c1ccc(Oc2nccc3occc23)cc1N | 10.1021/acs.jmedchem.9b00351 | |||
146025701 | 170674 | None | 0 | Human | Functional | pEC50 | = | 8.9 | 8.9 | - | 1 | ChEMBL | 357 | 3 | 1 | 7 | 4.2 | Cc1ncc2nccn2c1-c1ccc(Oc2nccc3occc23)cc1N | 10.1021/acs.jmedchem.9b00351 | |||
CHEMBL4450338 | 170674 | None | 0 | Human | Functional | pEC50 | = | 8.9 | 8.9 | - | 1 | ChEMBL | 357 | 3 | 1 | 7 | 4.2 | Cc1ncc2nccn2c1-c1ccc(Oc2nccc3occc23)cc1N | 10.1021/acs.jmedchem.9b00351 | |||
44320024 | 107123 | None | 0 | Human | Functional | pEC50 | = | 8.9 | 8.9 | - | 1 | ChEMBL | 291 | 3 | 3 | 4 | 2.9 | CNC[C@@H]1OC(C2CCCCC2)Cc2c1ccc(O)c2O | 10.1021/jm00112a034 | |||
CHEMBL315750 | 107123 | None | 0 | Human | Functional | pEC50 | = | 8.9 | 8.9 | - | 1 | ChEMBL | 291 | 3 | 3 | 4 | 2.9 | CNC[C@@H]1OC(C2CCCCC2)Cc2c1ccc(O)c2O | 10.1021/jm00112a034 | |||
130442480 | 175374 | None | 0 | Human | Functional | pEC50 | = | 8.8 | 8.8 | - | 1 | ChEMBL | 410 | 3 | 0 | 6 | 5.7 | Cc1ncc2nccn2c1-c1ccc(Oc2nccc3occc23)cc1C(F)(F)F | 10.1021/acs.jmedchem.9b00351 | |||
CHEMBL4572614 | 175374 | None | 0 | Human | Functional | pEC50 | = | 8.8 | 8.8 | - | 1 | ChEMBL | 410 | 3 | 0 | 6 | 5.7 | Cc1ncc2nccn2c1-c1ccc(Oc2nccc3occc23)cc1C(F)(F)F | 10.1021/acs.jmedchem.9b00351 | |||
44320050 | 106887 | None | 0 | Rat | Functional | pEC50 | = | 8.8 | 8.8 | 1 | 3 | ChEMBL | 277 | 2 | 3 | 4 | 2.6 | NC[C@@H]1OC(C2CCCCC2)Cc2c1ccc(O)c2O | 10.1021/jm00112a034 | |||
CHEMBL314459 | 106887 | None | 0 | Rat | Functional | pEC50 | = | 8.8 | 8.8 | 1 | 3 | ChEMBL | 277 | 2 | 3 | 4 | 2.6 | NC[C@@H]1OC(C2CCCCC2)Cc2c1ccc(O)c2O | 10.1021/jm00112a034 | |||
130442480 | 175374 | None | 0 | Human | Functional | pEC50 | = | 8.8 | 8.8 | - | 1 | ChEMBL | 410 | 3 | 0 | 6 | 5.7 | Cc1ncc2nccn2c1-c1ccc(Oc2nccc3occc23)cc1C(F)(F)F | 10.1021/acs.jmedchem.9b00351 | |||
CHEMBL4572614 | 175374 | None | 0 | Human | Functional | pEC50 | = | 8.8 | 8.8 | - | 1 | ChEMBL | 410 | 3 | 0 | 6 | 5.7 | Cc1ncc2nccn2c1-c1ccc(Oc2nccc3occc23)cc1C(F)(F)F | 10.1021/acs.jmedchem.9b00351 | |||
146025715 | 176300 | None | 0 | Human | Functional | pEC50 | = | 8.8 | 8.8 | - | 1 | ChEMBL | 356 | 3 | 1 | 6 | 4.1 | Cc1cc(Oc2nccc3[nH]ncc23)ccc1-c1c(C)ncc2nccn12 | 10.1021/acs.jmedchem.9b00351 | |||
CHEMBL4593703 | 176300 | None | 0 | Human | Functional | pEC50 | = | 8.8 | 8.8 | - | 1 | ChEMBL | 356 | 3 | 1 | 6 | 4.1 | Cc1cc(Oc2nccc3[nH]ncc23)ccc1-c1c(C)ncc2nccn12 | 10.1021/acs.jmedchem.9b00351 | |||
146025715 | 176300 | None | 0 | Human | Functional | pEC50 | = | 8.7 | 8.7 | - | 1 | ChEMBL | 356 | 3 | 1 | 6 | 4.1 | Cc1cc(Oc2nccc3[nH]ncc23)ccc1-c1c(C)ncc2nccn12 | 10.1021/acs.jmedchem.9b00351 | |||
CHEMBL4593703 | 176300 | None | 0 | Human | Functional | pEC50 | = | 8.7 | 8.7 | - | 1 | ChEMBL | 356 | 3 | 1 | 6 | 4.1 | Cc1cc(Oc2nccc3[nH]ncc23)ccc1-c1c(C)ncc2nccn12 | 10.1021/acs.jmedchem.9b00351 | |||
122324 | 205 | None | 17 | Human | Functional | pEC50 | = | 8.7 | 8.7 | -4 | 4 | ChEMBL | 271 | 2 | 3 | 4 | 2.4 | NC[C@@H]1O[C@@H](Cc2c1ccc(c2O)O)c1ccccc1 | 10.1021/jm00112a034 | |||
6077 | 205 | None | 17 | Human | Functional | pEC50 | = | 8.7 | 8.7 | -4 | 4 | ChEMBL | 271 | 2 | 3 | 4 | 2.4 | NC[C@@H]1O[C@@H](Cc2c1ccc(c2O)O)c1ccccc1 | 10.1021/jm00112a034 | |||
CHEMBL86931 | 205 | None | 17 | Human | Functional | pEC50 | = | 8.7 | 8.7 | -4 | 4 | ChEMBL | 271 | 2 | 3 | 4 | 2.4 | NC[C@@H]1O[C@@H](Cc2c1ccc(c2O)O)c1ccccc1 | 10.1021/jm00112a034 | |||
122324 | 205 | None | 17 | Rat | Functional | pEC50 | = | 8.7 | 8.7 | 4 | 4 | ChEMBL | 271 | 2 | 3 | 4 | 2.4 | NC[C@@H]1O[C@@H](Cc2c1ccc(c2O)O)c1ccccc1 | 10.1021/jm9502100 | |||
6077 | 205 | None | 17 | Rat | Functional | pEC50 | = | 8.7 | 8.7 | 4 | 4 | ChEMBL | 271 | 2 | 3 | 4 | 2.4 | NC[C@@H]1O[C@@H](Cc2c1ccc(c2O)O)c1ccccc1 | 10.1021/jm9502100 | |||
CHEMBL86931 | 205 | None | 17 | Rat | Functional | pEC50 | = | 8.7 | 8.7 | 4 | 4 | ChEMBL | 271 | 2 | 3 | 4 | 2.4 | NC[C@@H]1O[C@@H](Cc2c1ccc(c2O)O)c1ccccc1 | 10.1021/jm9502100 | |||
122324 | 205 | None | 17 | Human | Functional | pEC50 | = | 8.7 | 8.7 | -4 | 4 | ChEMBL | 271 | 2 | 3 | 4 | 2.4 | NC[C@@H]1O[C@@H](Cc2c1ccc(c2O)O)c1ccccc1 | 10.1021/jm00173a005 | |||
6077 | 205 | None | 17 | Human | Functional | pEC50 | = | 8.7 | 8.7 | -4 | 4 | ChEMBL | 271 | 2 | 3 | 4 | 2.4 | NC[C@@H]1O[C@@H](Cc2c1ccc(c2O)O)c1ccccc1 | 10.1021/jm00173a005 | |||
CHEMBL86931 | 205 | None | 17 | Human | Functional | pEC50 | = | 8.7 | 8.7 | -4 | 4 | ChEMBL | 271 | 2 | 3 | 4 | 2.4 | NC[C@@H]1O[C@@H](Cc2c1ccc(c2O)O)c1ccccc1 | 10.1021/jm00173a005 | |||
90134269 | 174310 | None | 2 | Human | Functional | pEC50 | = | 8 | 8.0 | - | 1 | ChEMBL | 342 | 3 | 1 | 6 | 4.5 | Nc1cc(Oc2nccc3occc23)ccc1-c1cccc2nccn12 | 10.1021/acs.jmedchem.9b00351 | |||
CHEMBL4548284 | 174310 | None | 2 | Human | Functional | pEC50 | = | 8 | 8.0 | - | 1 | ChEMBL | 342 | 3 | 1 | 6 | 4.5 | Nc1cc(Oc2nccc3occc23)ccc1-c1cccc2nccn12 | 10.1021/acs.jmedchem.9b00351 | |||
75201899 | 172019 | None | 0 | Human | Functional | pEC50 | = | 8 | 8.0 | - | 1 | ChEMBL | 351 | 3 | 1 | 5 | 4.1 | Cc1n[nH]c(=O)c(C)c1-c1ccc(Oc2nccc3occc23)cc1F | 10.1021/acsmedchemlett.9b00050 | |||
CHEMBL4469983 | 172019 | None | 0 | Human | Functional | pEC50 | = | 8 | 8.0 | - | 1 | ChEMBL | 351 | 3 | 1 | 5 | 4.1 | Cc1n[nH]c(=O)c(C)c1-c1ccc(Oc2nccc3occc23)cc1F | 10.1021/acsmedchemlett.9b00050 | |||
71722299 | 102535 | None | 0 | Human | Functional | pEC50 | = | 8.0 | 8.0 | -3 | 2 | ChEMBL | 373 | 2 | 3 | 4 | 4.1 | CN1CCc2ccc(Cc3ccc(O)cc3)c3c2[C@H]1Cc1ccc(O)c(O)c1-3 | 10.1016/j.bmc.2013.05.014 | |||
CHEMBL2397383 | 102535 | None | 0 | Human | Functional | pEC50 | = | 8.0 | 8.0 | -3 | 2 | ChEMBL | 373 | 2 | 3 | 4 | 4.1 | CN1CCc2ccc(Cc3ccc(O)cc3)c3c2[C@H]1Cc1ccc(O)c(O)c1-3 | 10.1016/j.bmc.2013.05.014 | |||
CHEMBL3040217 | 102535 | None | 0 | Human | Functional | pEC50 | = | 8.0 | 8.0 | -3 | 2 | ChEMBL | 373 | 2 | 3 | 4 | 4.1 | CN1CCc2ccc(Cc3ccc(O)cc3)c3c2[C@H]1Cc1ccc(O)c(O)c1-3 | 10.1016/j.bmc.2013.05.014 | |||
44282985 | 120544 | None | 0 | Human | Functional | pEC50 | = | 7 | 7.0 | -1 | 2 | ChEMBL | 279 | 0 | 0 | 3 | 3.2 | CN1CCc2cccc3c2[C@H]1Cc1ccc2c(c1-3)OCO2 | 10.1021/acsmedchemlett.9b00575 | |||
CHEMBL35426 | 120544 | None | 0 | Human | Functional | pEC50 | = | 7 | 7.0 | -1 | 2 | ChEMBL | 279 | 0 | 0 | 3 | 3.2 | CN1CCc2cccc3c2[C@H]1Cc1ccc2c(c1-3)OCO2 | 10.1021/acsmedchemlett.9b00575 | |||
146025707 | 171210 | None | 0 | Human | Functional | pEC50 | = | 7 | 7.0 | - | 1 | ChEMBL | 397 | 4 | 0 | 6 | 5.7 | Cc1cc(N(c2nccc3occc23)C(C)C)ccc1-c1c(C)ncc2nccn12 | 10.1021/acs.jmedchem.9b00351 | |||
CHEMBL4457872 | 171210 | None | 0 | Human | Functional | pEC50 | = | 7 | 7.0 | - | 1 | ChEMBL | 397 | 4 | 0 | 6 | 5.7 | Cc1cc(N(c2nccc3occc23)C(C)C)ccc1-c1c(C)ncc2nccn12 | 10.1021/acs.jmedchem.9b00351 | |||
44320256 | 208771 | None | 0 | Human | Functional | pEC50 | = | 7 | 7.0 | - | 1 | ChEMBL | 361 | 4 | 3 | 4 | 3.9 | NC[C@@H]1OC(C(c2ccccc2)c2ccccc2)Cc2c1ccc(O)c2O | 10.1021/jm00112a034 | |||
CHEMBL87172 | 208771 | None | 0 | Human | Functional | pEC50 | = | 7 | 7.0 | - | 1 | ChEMBL | 361 | 4 | 3 | 4 | 3.9 | NC[C@@H]1OC(C(c2ccccc2)c2ccccc2)Cc2c1ccc(O)c2O | 10.1021/jm00112a034 | |||
13720688 | 11558 | None | 0 | Rat | Functional | pEC50 | = | 7 | 7.0 | 1 | 2 | ChEMBL | 329 | 3 | 3 | 4 | 3.1 | C=CCN1CCc2c(cc(O)c(O)c2F)C(c2ccc(O)cc2)C1 | 10.1021/jm00384a006 | |||
CHEMBL1180542 | 11558 | None | 0 | Rat | Functional | pEC50 | = | 7 | 7.0 | 1 | 2 | ChEMBL | 329 | 3 | 3 | 4 | 3.1 | C=CCN1CCc2c(cc(O)c(O)c2F)C(c2ccc(O)cc2)C1 | 10.1021/jm00384a006 | |||
CHEMBL129634 | 11558 | None | 0 | Rat | Functional | pEC50 | = | 7 | 7.0 | 1 | 2 | ChEMBL | 329 | 3 | 3 | 4 | 3.1 | C=CCN1CCc2c(cc(O)c(O)c2F)C(c2ccc(O)cc2)C1 | 10.1021/jm00384a006 | |||
146025696 | 169806 | None | 0 | Human | Functional | pEC50 | = | 6 | 6.0 | - | 1 | ChEMBL | 399 | 4 | 0 | 7 | 5.0 | COC(=O)c1cccn2c(-c3ccc(Oc4nccc5occc45)cc3C)cnc12 | 10.1021/acs.jmedchem.9b00351 | |||
CHEMBL4437975 | 169806 | None | 0 | Human | Functional | pEC50 | = | 6 | 6.0 | - | 1 | ChEMBL | 399 | 4 | 0 | 7 | 5.0 | COC(=O)c1cccn2c(-c3ccc(Oc4nccc5occc45)cc3C)cnc12 | 10.1021/acs.jmedchem.9b00351 | |||
44331742 | 4441 | None | 0 | Rat | Functional | pEC50 | = | 6 | 6.0 | - | 1 | ChEMBL | 269 | 3 | 3 | 3 | 2.7 | Oc1ccc2c(c1O)CCC(NCc1ccccc1)C2 | 10.1021/jm9502100 | |||
CHEMBL101617 | 4441 | None | 0 | Rat | Functional | pEC50 | = | 6 | 6.0 | - | 1 | ChEMBL | 269 | 3 | 3 | 3 | 2.7 | Oc1ccc2c(c1O)CCC(NCc1ccccc1)C2 | 10.1021/jm9502100 | |||
14708665 | 168308 | None | 0 | Rat | Functional | pEC50 | = | 5 | 5.0 | - | 1 | ChEMBL | 267 | 0 | 3 | 3 | 2.6 | Oc1cc2c(cc1O)[C@@H]1c3ccccc3CN[C@@H]1CC2 | 10.1021/jm9502100 | |||
CHEMBL43345 | 168308 | None | 0 | Rat | Functional | pEC50 | = | 5 | 5.0 | - | 1 | ChEMBL | 267 | 0 | 3 | 3 | 2.6 | Oc1cc2c(cc1O)[C@@H]1c3ccccc3CN[C@@H]1CC2 | 10.1021/jm9502100 | |||
146025696 | 169806 | None | 0 | Human | Functional | pEC50 | = | 6.0 | 6.0 | - | 1 | ChEMBL | 399 | 4 | 0 | 7 | 5.0 | COC(=O)c1cccn2c(-c3ccc(Oc4nccc5occc45)cc3C)cnc12 | 10.1021/acs.jmedchem.9b00351 | |||
CHEMBL4437975 | 169806 | None | 0 | Human | Functional | pEC50 | = | 6.0 | 6.0 | - | 1 | ChEMBL | 399 | 4 | 0 | 7 | 5.0 | COC(=O)c1cccn2c(-c3ccc(Oc4nccc5occc45)cc3C)cnc12 | 10.1021/acs.jmedchem.9b00351 | |||
146025707 | 171210 | None | 0 | Human | Functional | pEC50 | = | 7.0 | 7.0 | - | 1 | ChEMBL | 397 | 4 | 0 | 6 | 5.7 | Cc1cc(N(c2nccc3occc23)C(C)C)ccc1-c1c(C)ncc2nccn12 | 10.1021/acs.jmedchem.9b00351 | |||
CHEMBL4457872 | 171210 | None | 0 | Human | Functional | pEC50 | = | 7.0 | 7.0 | - | 1 | ChEMBL | 397 | 4 | 0 | 6 | 5.7 | Cc1cc(N(c2nccc3occc23)C(C)C)ccc1-c1c(C)ncc2nccn12 | 10.1021/acs.jmedchem.9b00351 | |||
75201901 | 166520 | None | 21 | Human | Functional | pEC50 | = | 7.0 | 7.0 | 95 | 4 | ChEMBL | 356 | 3 | 0 | 6 | 4.9 | Cc1cc(Oc2nccc3occc23)ccc1-c1c(C)ncc2nccn12 | 10.1021/acs.jmedchem.8b01622 | |||
CHEMBL4277264 | 166520 | None | 21 | Human | Functional | pEC50 | = | 7.0 | 7.0 | 95 | 4 | ChEMBL | 356 | 3 | 0 | 6 | 4.9 | Cc1cc(Oc2nccc3occc23)ccc1-c1c(C)ncc2nccn12 | 10.1021/acs.jmedchem.8b01622 | |||
146034919 | 192309 | None | 3 | Human | Functional | pEC50 | = | 5.0 | 5.0 | - | 1 | ChEMBL | 248 | 4 | 0 | 2 | 3.8 | O=Cc1ccc(-c2cccc(OC(F)F)c2)cc1 | 10.1021/acs.jmedchem.2c00949 | |||
CHEMBL5204559 | 192309 | None | 3 | Human | Functional | pEC50 | = | 5.0 | 5.0 | - | 1 | ChEMBL | 248 | 4 | 0 | 2 | 3.8 | O=Cc1ccc(-c2cccc(OC(F)F)c2)cc1 | 10.1021/acs.jmedchem.2c00949 | |||
146025721 | 171812 | None | 0 | Human | Functional | pEC50 | = | 7.0 | 7.0 | - | 1 | ChEMBL | 355 | 3 | 0 | 5 | 5.6 | Cc1c(Oc2nccc3occc23)ccc(-c2cccc3nccn23)c1C | 10.1021/acs.jmedchem.9b00351 | |||
CHEMBL4466769 | 171812 | None | 0 | Human | Functional | pEC50 | = | 7.0 | 7.0 | - | 1 | ChEMBL | 355 | 3 | 0 | 5 | 5.6 | Cc1c(Oc2nccc3occc23)ccc(-c2cccc3nccn23)c1C | 10.1021/acs.jmedchem.9b00351 | |||
10684715 | 160734 | None | 0 | Goldfish | Functional | pEC50 | = | 8.0 | 8.0 | - | 1 | ChEMBL | 287 | 0 | 3 | 4 | 3.0 | Cc1cc2c(s1)[C@H]1c3cc(O)c(O)cc3CC[C@@H]1NC2 | 10.1021/jm970038v | |||
CHEMBL41132 | 160734 | None | 0 | Goldfish | Functional | pEC50 | = | 8.0 | 8.0 | - | 1 | ChEMBL | 287 | 0 | 3 | 4 | 3.0 | Cc1cc2c(s1)[C@H]1c3cc(O)c(O)cc3CC[C@@H]1NC2 | 10.1021/jm970038v | |||
71563083 | 87606 | None | 0 | Human | Functional | pEC50 | = | 8.0 | 8.0 | 19 | 2 | ChEMBL | 343 | 1 | 2 | 3 | 3.9 | Cc1cc2c(cc1O)[C@H]1C[C@@](O)(c3ccc(Cl)cc3)CCN1CC2 | 10.1016/j.bmcl.2012.12.046 | |||
CHEMBL2335737 | 87606 | None | 0 | Human | Functional | pEC50 | = | 8.0 | 8.0 | 19 | 2 | ChEMBL | 343 | 1 | 2 | 3 | 3.9 | Cc1cc2c(cc1O)[C@H]1C[C@@](O)(c3ccc(Cl)cc3)CCN1CC2 | 10.1016/j.bmcl.2012.12.046 | |||
75201901 | 166520 | None | 21 | Human | Functional | pEC50 | = | 8.0 | 8.0 | 95 | 4 | ChEMBL | 356 | 3 | 0 | 6 | 4.9 | Cc1cc(Oc2nccc3occc23)ccc1-c1c(C)ncc2nccn12 | 10.1021/acsmedchemlett.9b00050 | |||
CHEMBL4277264 | 166520 | None | 21 | Human | Functional | pEC50 | = | 8.0 | 8.0 | 95 | 4 | ChEMBL | 356 | 3 | 0 | 6 | 4.9 | Cc1cc(Oc2nccc3occc23)ccc1-c1c(C)ncc2nccn12 | 10.1021/acsmedchemlett.9b00050 | |||
146025721 | 171812 | None | 0 | Human | Functional | pEC50 | = | 7.0 | 7.0 | - | 1 | ChEMBL | 355 | 3 | 0 | 5 | 5.6 | Cc1c(Oc2nccc3occc23)ccc(-c2cccc3nccn23)c1C | 10.1021/acs.jmedchem.9b00351 | |||
CHEMBL4466769 | 171812 | None | 0 | Human | Functional | pEC50 | = | 7.0 | 7.0 | - | 1 | ChEMBL | 355 | 3 | 0 | 5 | 5.6 | Cc1c(Oc2nccc3occc23)ccc(-c2cccc3nccn23)c1C | 10.1021/acs.jmedchem.9b00351 | |||
44276535 | 98442 | None | 0 | Human | Functional | pEC50 | = | 7.0 | 7.0 | - | 1 | ChEMBL | 282 | 0 | 3 | 4 | 2.4 | Cc1cnc2c(c1)[C@@H]1c3cc(O)c(O)cc3CC[C@H]1NC2 | 10.1016/s0960-894x(99)00214-0 | |||
CHEMBL275379 | 98442 | None | 0 | Human | Functional | pEC50 | = | 7.0 | 7.0 | - | 1 | ChEMBL | 282 | 0 | 3 | 4 | 2.4 | Cc1cnc2c(c1)[C@@H]1c3cc(O)c(O)cc3CC[C@H]1NC2 | 10.1016/s0960-894x(99)00214-0 | |||
44417647 | 82192 | None | 0 | Human | Functional | pEC50 | = | 6.0 | 6.0 | -52 | 3 | ChEMBL | 311 | 2 | 2 | 4 | 3.2 | CCCN1Cc2ccccc2C2c3cc(O)c(O)cc3OCC21 | 10.1021/jm0604979 | |||
CHEMBL1203924 | 82192 | None | 0 | Human | Functional | pEC50 | = | 6.0 | 6.0 | -52 | 3 | ChEMBL | 311 | 2 | 2 | 4 | 3.2 | CCCN1Cc2ccccc2C2c3cc(O)c(O)cc3OCC21 | 10.1021/jm0604979 | |||
CHEMBL216945 | 82192 | None | 0 | Human | Functional | pEC50 | = | 6.0 | 6.0 | -52 | 3 | ChEMBL | 311 | 2 | 2 | 4 | 3.2 | CCCN1Cc2ccccc2C2c3cc(O)c(O)cc3OCC21 | 10.1021/jm0604979 | |||
24878061 | 141498 | None | 0 | Human | Functional | pEC50 | = | 6.0 | 6.0 | -4 | 2 | ChEMBL | 269 | 0 | 3 | 4 | 2.1 | Oc1cc2c(cc1O)[C@@H]1c3ccccc3CN[C@H]1CO2 | 10.1021/jm0604979 | |||
CHEMBL384046 | 141498 | None | 0 | Human | Functional | pEC50 | = | 6.0 | 6.0 | -4 | 2 | ChEMBL | 269 | 0 | 3 | 4 | 2.1 | Oc1cc2c(cc1O)[C@@H]1c3ccccc3CN[C@H]1CO2 | 10.1021/jm0604979 | |||
146025709 | 174685 | None | 0 | Human | Functional | pEC50 | = | 6.0 | 6.0 | - | 1 | ChEMBL | 423 | 4 | 0 | 6 | 6.2 | Cc1cc(N(c2nccc3occc23)C2CCCC2)ccc1-c1c(C)ncc2nccn12 | 10.1021/acs.jmedchem.9b00351 | |||
CHEMBL4556763 | 174685 | None | 0 | Human | Functional | pEC50 | = | 6.0 | 6.0 | - | 1 | ChEMBL | 423 | 4 | 0 | 6 | 6.2 | Cc1cc(N(c2nccc3occc23)C2CCCC2)ccc1-c1c(C)ncc2nccn12 | 10.1021/acs.jmedchem.9b00351 | |||
145982261 | 166828 | None | 0 | Human | Functional | pEC50 | = | 6.0 | 6.0 | - | 1 | ChEMBL | 347 | 3 | 0 | 5 | 5.5 | Cc1cc(Oc2nccc3occc23)ccc1-c1ccnn1C(C)(C)C | 10.1021/acs.jmedchem.8b01622 | |||
CHEMBL4283176 | 166828 | None | 0 | Human | Functional | pEC50 | = | 6.0 | 6.0 | - | 1 | ChEMBL | 347 | 3 | 0 | 5 | 5.5 | Cc1cc(Oc2nccc3occc23)ccc1-c1ccnn1C(C)(C)C | 10.1021/acs.jmedchem.8b01622 | |||
146192959 | 170618 | None | 0 | Human | Functional | pEC50 | = | 7.0 | 7.0 | - | 1 | ChEMBL | 413 | 4 | 2 | 3 | 3.9 | C[C@H]1c2cccc(-c3cn[nH]c3)c2C[C@H](CO)N1C(=O)Cc1cc(F)ccc1Cl | 10.1021/acsmedchemlett.9b00547 | |||
CHEMBL4449550 | 170618 | None | 0 | Human | Functional | pEC50 | = | 7.0 | 7.0 | - | 1 | ChEMBL | 413 | 4 | 2 | 3 | 3.9 | C[C@H]1c2cccc(-c3cn[nH]c3)c2C[C@H](CO)N1C(=O)Cc1cc(F)ccc1Cl | 10.1021/acsmedchemlett.9b00547 | |||
44282985 | 120544 | None | 0 | Human | Functional | pEC50 | = | 7.0 | 7.0 | -1 | 2 | ChEMBL | 279 | 0 | 0 | 3 | 3.2 | CN1CCc2cccc3c2[C@H]1Cc1ccc2c(c1-3)OCO2 | 10.1021/acsmedchemlett.9b00575 | |||
CHEMBL35426 | 120544 | None | 0 | Human | Functional | pEC50 | = | 7.0 | 7.0 | -1 | 2 | ChEMBL | 279 | 0 | 0 | 3 | 3.2 | CN1CCc2cccc3c2[C@H]1Cc1ccc2c(c1-3)OCO2 | 10.1021/acsmedchemlett.9b00575 | |||
130442557 | 167169 | None | 0 | Human | Functional | pEC50 | = | 5.9 | 5.9 | - | 1 | ChEMBL | 342 | 3 | 0 | 6 | 4.7 | Cc1nc2cnccc2n1-c1ccc(Oc2nccc3occc23)cc1 | 10.1021/acs.jmedchem.8b01622 | |||
CHEMBL4289538 | 167169 | None | 0 | Human | Functional | pEC50 | = | 5.9 | 5.9 | - | 1 | ChEMBL | 342 | 3 | 0 | 6 | 4.7 | Cc1nc2cnccc2n1-c1ccc(Oc2nccc3occc23)cc1 | 10.1021/acs.jmedchem.8b01622 | |||
146025709 | 174685 | None | 0 | Human | Functional | pEC50 | = | 5.9 | 5.9 | - | 1 | ChEMBL | 423 | 4 | 0 | 6 | 6.2 | Cc1cc(N(c2nccc3occc23)C2CCCC2)ccc1-c1c(C)ncc2nccn12 | 10.1021/acs.jmedchem.9b00351 | |||
CHEMBL4556763 | 174685 | None | 0 | Human | Functional | pEC50 | = | 5.9 | 5.9 | - | 1 | ChEMBL | 423 | 4 | 0 | 6 | 6.2 | Cc1cc(N(c2nccc3occc23)C2CCCC2)ccc1-c1c(C)ncc2nccn12 | 10.1021/acs.jmedchem.9b00351 | |||
71722297 | 102527 | None | 0 | Human | Functional | pEC50 | = | 6.9 | 6.9 | -34 | 2 | ChEMBL | 297 | 1 | 3 | 4 | 2.3 | CN1CCc2ccc(CO)c3c2[C@H]1Cc1ccc(O)c(O)c1-3 | 10.1016/j.bmc.2013.05.014 | |||
CHEMBL2397382 | 102527 | None | 0 | Human | Functional | pEC50 | = | 6.9 | 6.9 | -34 | 2 | ChEMBL | 297 | 1 | 3 | 4 | 2.3 | CN1CCc2ccc(CO)c3c2[C@H]1Cc1ccc(O)c(O)c1-3 | 10.1016/j.bmc.2013.05.014 | |||
CHEMBL3040156 | 102527 | None | 0 | Human | Functional | pEC50 | = | 6.9 | 6.9 | -34 | 2 | ChEMBL | 297 | 1 | 3 | 4 | 2.3 | CN1CCc2ccc(CO)c3c2[C@H]1Cc1ccc(O)c(O)c1-3 | 10.1016/j.bmc.2013.05.014 | |||
85090332 | 180825 | None | 0 | Human | Functional | pEC50 | = | 6.9 | 6.9 | -9 | 2 | ChEMBL | 435 | 3 | 0 | 6 | 4.6 | COc1ccc(-n2c(C3CCCC3)nc3c(c(=O)c4ccccc4n3C)c2=O)cc1Cl | 10.1016/j.bmcl.2020.127696 | |||
CHEMBL4755709 | 180825 | None | 0 | Human | Functional | pEC50 | = | 6.9 | 6.9 | -9 | 2 | ChEMBL | 435 | 3 | 0 | 6 | 4.6 | COc1ccc(-n2c(C3CCCC3)nc3c(c(=O)c4ccccc4n3C)c2=O)cc1Cl | 10.1016/j.bmcl.2020.127696 | |||
90134199 | 172345 | None | 0 | Human | Functional | pEC50 | = | 7.9 | 7.9 | - | 1 | ChEMBL | 361 | 5 | 0 | 6 | 5.1 | CCOc1ncnc(C)c1-c1ccc(Oc2nccc3occc23)cc1C | 10.1021/acs.jmedchem.9b00351 | |||
CHEMBL4474245 | 172345 | None | 0 | Human | Functional | pEC50 | = | 7.9 | 7.9 | - | 1 | ChEMBL | 361 | 5 | 0 | 6 | 5.1 | CCOc1ncnc(C)c1-c1ccc(Oc2nccc3occc23)cc1C | 10.1021/acs.jmedchem.9b00351 | |||
90134199 | 172345 | None | 0 | Human | Functional | pEC50 | = | 7.9 | 7.9 | - | 1 | ChEMBL | 361 | 5 | 0 | 6 | 5.1 | CCOc1ncnc(C)c1-c1ccc(Oc2nccc3occc23)cc1C | 10.1021/acs.jmedchem.9b00351 | |||
CHEMBL4474245 | 172345 | None | 0 | Human | Functional | pEC50 | = | 7.9 | 7.9 | - | 1 | ChEMBL | 361 | 5 | 0 | 6 | 5.1 | CCOc1ncnc(C)c1-c1ccc(Oc2nccc3occc23)cc1C | 10.1021/acs.jmedchem.9b00351 | |||
44320303 | 164062 | None | 0 | Human | Functional | pEC50 | = | 7.9 | 7.9 | - | 1 | ChEMBL | 315 | 4 | 3 | 4 | 2.9 | C#CCNC[C@@H]1OC(C2CCCCC2)Cc2c1ccc(O)c2O | 10.1021/jm00112a034 | |||
CHEMBL420788 | 164062 | None | 0 | Human | Functional | pEC50 | = | 7.9 | 7.9 | - | 1 | ChEMBL | 315 | 4 | 3 | 4 | 2.9 | C#CCNC[C@@H]1OC(C2CCCCC2)Cc2c1ccc(O)c2O | 10.1021/jm00112a034 | |||
130442471 | 176188 | None | 0 | Human | Functional | pEC50 | = | 7.9 | 7.9 | - | 1 | ChEMBL | 331 | 3 | 1 | 5 | 4.9 | Cc1cc(Oc2nccc3occc23)ccc1-c1cc(N)cnc1C | 10.1021/acs.jmedchem.9b00351 | |||
CHEMBL4591207 | 176188 | None | 0 | Human | Functional | pEC50 | = | 7.9 | 7.9 | - | 1 | ChEMBL | 331 | 3 | 1 | 5 | 4.9 | Cc1cc(Oc2nccc3occc23)ccc1-c1cc(N)cnc1C | 10.1021/acs.jmedchem.9b00351 | |||
681 | 1465 | None | 47 | Human | Functional | pEC50 | = | 6.9 | 6.9 | -54 | 15 | ChEMBL | 153 | 2 | 3 | 3 | 0.6 | NCCc1ccc(c(c1)O)O | 10.1021/jm0604979 | |||
681.0 | 1465 | None | 47 | Human | Functional | pEC50 | = | 6.9 | 6.9 | -54 | 15 | ChEMBL | 153 | 2 | 3 | 3 | 0.6 | NCCc1ccc(c(c1)O)O | 10.1021/jm0604979 | |||
940 | 1465 | None | 47 | Human | Functional | pEC50 | = | 6.9 | 6.9 | -54 | 15 | ChEMBL | 153 | 2 | 3 | 3 | 0.6 | NCCc1ccc(c(c1)O)O | 10.1021/jm0604979 | |||
947 | 1465 | None | 47 | Human | Functional | pEC50 | = | 6.9 | 6.9 | -54 | 15 | ChEMBL | 153 | 2 | 3 | 3 | 0.6 | NCCc1ccc(c(c1)O)O | 10.1021/jm0604979 | |||
CHEMBL59 | 1465 | None | 47 | Human | Functional | pEC50 | = | 6.9 | 6.9 | -54 | 15 | ChEMBL | 153 | 2 | 3 | 3 | 0.6 | NCCc1ccc(c(c1)O)O | 10.1021/jm0604979 | |||
DB00988 | 1465 | None | 47 | Human | Functional | pEC50 | = | 6.9 | 6.9 | -54 | 15 | ChEMBL | 153 | 2 | 3 | 3 | 0.6 | NCCc1ccc(c(c1)O)O | 10.1021/jm0604979 | |||
44554468 | 106324 | None | 0 | Human | Functional | pEC50 | = | 6.9 | 6.9 | -151 | 2 | ChEMBL | 233 | 1 | 1 | 3 | 1.6 | CCN1CCO[C@@H]2Cc3c(O)cccc3C[C@H]21 | 10.1016/j.bmc.2013.11.012 | |||
CHEMBL3099225 | 106324 | None | 0 | Human | Functional | pEC50 | = | 6.9 | 6.9 | -151 | 2 | ChEMBL | 233 | 1 | 1 | 3 | 1.6 | CCN1CCO[C@@H]2Cc3c(O)cccc3C[C@H]21 | 10.1016/j.bmc.2013.11.012 | |||
CHEMBL3139011 | 106324 | None | 0 | Human | Functional | pEC50 | = | 6.9 | 6.9 | -151 | 2 | ChEMBL | 233 | 1 | 1 | 3 | 1.6 | CCN1CCO[C@@H]2Cc3c(O)cccc3C[C@H]21 | 10.1016/j.bmc.2013.11.012 | |||
146025716 | 174069 | None | 0 | Human | Functional | pEC50 | = | 6.9 | 6.9 | - | 1 | ChEMBL | 316 | 3 | 0 | 5 | 4.2 | Cc1cc(Oc2ccccn2)ccc1-c1c(C)ncc2nccn12 | 10.1021/acs.jmedchem.9b00351 | |||
CHEMBL4541632 | 174069 | None | 0 | Human | Functional | pEC50 | = | 6.9 | 6.9 | - | 1 | ChEMBL | 316 | 3 | 0 | 5 | 4.2 | Cc1cc(Oc2ccccn2)ccc1-c1c(C)ncc2nccn12 | 10.1021/acs.jmedchem.9b00351 | |||
44276651 | 99794 | None | 0 | Human | Functional | pEC50 | = | 6.9 | 6.9 | - | 1 | ChEMBL | 296 | 0 | 3 | 4 | 2.7 | Cc1cc2c(nc1C)CN[C@@H]1CCc3cc(O)c(O)cc3[C@@H]21 | 10.1016/s0960-894x(99)00214-0 | |||
CHEMBL284959 | 99794 | None | 0 | Human | Functional | pEC50 | = | 6.9 | 6.9 | - | 1 | ChEMBL | 296 | 0 | 3 | 4 | 2.7 | Cc1cc2c(nc1C)CN[C@@H]1CCc3cc(O)c(O)cc3[C@@H]21 | 10.1016/s0960-894x(99)00214-0 | |||
85090319 | 180716 | None | 0 | Human | Functional | pEC50 | = | 6.9 | 6.9 | -5 | 2 | ChEMBL | 401 | 3 | 0 | 6 | 3.9 | COc1ccc(-n2c(C3CCCC3)nc3c(c(=O)c4ccccc4n3C)c2=O)cc1 | 10.1016/j.bmcl.2020.127696 | |||
CHEMBL4754602 | 180716 | None | 0 | Human | Functional | pEC50 | = | 6.9 | 6.9 | -5 | 2 | ChEMBL | 401 | 3 | 0 | 6 | 3.9 | COc1ccc(-n2c(C3CCCC3)nc3c(c(=O)c4ccccc4n3C)c2=O)cc1 | 10.1016/j.bmcl.2020.127696 | |||
130442534 | 166993 | None | 0 | Human | Functional | pEC50 | = | 6.9 | 6.9 | - | 1 | ChEMBL | 341 | 3 | 0 | 5 | 5.2 | Cc1ccc2nccn2c1-c1ccc(Oc2nccc3occc23)cc1 | 10.1021/acs.jmedchem.8b01622 | |||
CHEMBL4286177 | 166993 | None | 0 | Human | Functional | pEC50 | = | 6.9 | 6.9 | - | 1 | ChEMBL | 341 | 3 | 0 | 5 | 5.2 | Cc1ccc2nccn2c1-c1ccc(Oc2nccc3occc23)cc1 | 10.1021/acs.jmedchem.8b01622 | |||
2030130 | 20986 | None | 17 | Human | Functional | pEC50 | = | 6.9 | 6.9 | -6 | 2 | ChEMBL | 385 | 2 | 0 | 5 | 4.3 | Cn1c2ccccc2c(=O)c2c(=O)n(-c3ccccc3)c(C3CCCCC3)nc21 | 10.1016/j.bmcl.2020.127696 | |||
CHEMBL1311333 | 20986 | None | 17 | Human | Functional | pEC50 | = | 6.9 | 6.9 | -6 | 2 | ChEMBL | 385 | 2 | 0 | 5 | 4.3 | Cn1c2ccccc2c(=O)c2c(=O)n(-c3ccccc3)c(C3CCCCC3)nc21 | 10.1016/j.bmcl.2020.127696 | |||
146025716 | 174069 | None | 0 | Human | Functional | pEC50 | = | 6.9 | 6.9 | - | 1 | ChEMBL | 316 | 3 | 0 | 5 | 4.2 | Cc1cc(Oc2ccccn2)ccc1-c1c(C)ncc2nccn12 | 10.1021/acs.jmedchem.9b00351 | |||
CHEMBL4541632 | 174069 | None | 0 | Human | Functional | pEC50 | = | 6.9 | 6.9 | - | 1 | ChEMBL | 316 | 3 | 0 | 5 | 4.2 | Cc1cc(Oc2ccccn2)ccc1-c1c(C)ncc2nccn12 | 10.1021/acs.jmedchem.9b00351 | |||
145988779 | 167375 | None | 0 | Human | Functional | pEC50 | = | 5.9 | 5.9 | - | 1 | ChEMBL | 305 | 3 | 0 | 5 | 4.3 | Cc1cc(Oc2nccc3occc23)ccc1-c1ccnn1C | 10.1021/acs.jmedchem.8b01622 | |||
CHEMBL4293356 | 167375 | None | 0 | Human | Functional | pEC50 | = | 5.9 | 5.9 | - | 1 | ChEMBL | 305 | 3 | 0 | 5 | 4.3 | Cc1cc(Oc2nccc3occc23)ccc1-c1ccnn1C | 10.1021/acs.jmedchem.8b01622 | |||
44320328 | 208686 | None | 0 | Human | Functional | pEC50 | = | 6.9 | 6.9 | - | 1 | ChEMBL | 317 | 4 | 3 | 4 | 3.4 | Oc1ccc2c(c1O)CC(C1CCCCC1)O[C@H]2CNC1CC1 | 10.1021/jm00112a034 | |||
CHEMBL86669 | 208686 | None | 0 | Human | Functional | pEC50 | = | 6.9 | 6.9 | - | 1 | ChEMBL | 317 | 4 | 3 | 4 | 3.4 | Oc1ccc2c(c1O)CC(C1CCCCC1)O[C@H]2CNC1CC1 | 10.1021/jm00112a034 | |||
10689581 | 100217 | None | 0 | Goldfish | Functional | pEC50 | = | 6.9 | 6.9 | - | 1 | ChEMBL | 355 | 2 | 3 | 4 | 4.4 | Oc1cc2c(cc1O)[C@@H]1c3sc(CC4CCCC4)cc3CN[C@H]1CC2 | 10.1021/jm970038v | |||
CHEMBL287931 | 100217 | None | 0 | Goldfish | Functional | pEC50 | = | 6.9 | 6.9 | - | 1 | ChEMBL | 355 | 2 | 3 | 4 | 4.4 | Oc1cc2c(cc1O)[C@@H]1c3sc(CC4CCCC4)cc3CN[C@H]1CC2 | 10.1021/jm970038v | |||
3106 | 48534 | None | 7 | Rat | Functional | pEC50 | = | 4.9 | 4.9 | -25 | 3 | ChEMBL | 237 | 7 | 2 | 3 | 2.8 | CCCN(CCC)CCc1ccc(O)c(O)c1 | 10.1021/jm00390a009 | |||
CHEMBL15564 | 48534 | None | 7 | Rat | Functional | pEC50 | = | 4.9 | 4.9 | -25 | 3 | ChEMBL | 237 | 7 | 2 | 3 | 2.8 | CCCN(CCC)CCc1ccc(O)c(O)c1 | 10.1021/jm00390a009 | |||
168278276 | 191225 | None | 0 | Human | Functional | pEC50 | = | 5.9 | 5.9 | - | 1 | ChEMBL | 295 | 5 | 1 | 3 | 2.6 | CNS(=O)(=O)c1ccc(-c2ccccc2OCF)cc1 | 10.1021/acs.jmedchem.2c00949 | |||
CHEMBL5187937 | 191225 | None | 0 | Human | Functional | pEC50 | = | 5.9 | 5.9 | - | 1 | ChEMBL | 295 | 5 | 1 | 3 | 2.6 | CNS(=O)(=O)c1ccc(-c2ccccc2OCF)cc1 | 10.1021/acs.jmedchem.2c00949 | |||
146192950 | 176135 | None | 0 | Human | Functional | pEC50 | = | 6.9 | 6.9 | - | 1 | ChEMBL | 397 | 4 | 2 | 3 | 3.4 | C[C@H]1c2cccc(-c3cn[nH]c3)c2C[C@H](CO)N1C(=O)Cc1c(F)cccc1F | 10.1021/acsmedchemlett.9b00547 | |||
CHEMBL4590150 | 176135 | None | 0 | Human | Functional | pEC50 | = | 6.9 | 6.9 | - | 1 | ChEMBL | 397 | 4 | 2 | 3 | 3.4 | C[C@H]1c2cccc(-c3cn[nH]c3)c2C[C@H](CO)N1C(=O)Cc1c(F)cccc1F | 10.1021/acsmedchemlett.9b00547 | |||
168280742 | 191193 | None | 0 | Human | Functional | pEC50 | = | 4.9 | 4.9 | - | 1 | ChEMBL | 230 | 4 | 0 | 2 | 3.5 | O=Cc1ccc(-c2ccccc2OCF)cc1 | 10.1021/acs.jmedchem.2c00949 | |||
CHEMBL5187578 | 191193 | None | 0 | Human | Functional | pEC50 | = | 4.9 | 4.9 | - | 1 | ChEMBL | 230 | 4 | 0 | 2 | 3.5 | O=Cc1ccc(-c2ccccc2OCF)cc1 | 10.1021/acs.jmedchem.2c00949 | |||
130442471 | 176188 | None | 0 | Human | Functional | pEC50 | = | 7.9 | 7.9 | - | 1 | ChEMBL | 331 | 3 | 1 | 5 | 4.9 | Cc1cc(Oc2nccc3occc23)ccc1-c1cc(N)cnc1C | 10.1021/acs.jmedchem.9b00351 | |||
CHEMBL4591207 | 176188 | None | 0 | Human | Functional | pEC50 | = | 7.9 | 7.9 | - | 1 | ChEMBL | 331 | 3 | 1 | 5 | 4.9 | Cc1cc(Oc2nccc3occc23)ccc1-c1cc(N)cnc1C | 10.1021/acs.jmedchem.9b00351 | |||
146192960 | 171622 | None | 0 | Human | Functional | pEC50 | = | 7.9 | 7.9 | - | 1 | ChEMBL | 429 | 4 | 2 | 3 | 4.4 | C[C@H]1c2cccc(-c3cn[nH]c3)c2C[C@H](CO)N1C(=O)Cc1c(Cl)cccc1Cl | 10.1021/acsmedchemlett.9b00547 | |||
CHEMBL4464150 | 171622 | None | 0 | Human | Functional | pEC50 | = | 7.9 | 7.9 | - | 1 | ChEMBL | 429 | 4 | 2 | 3 | 4.4 | C[C@H]1c2cccc(-c3cn[nH]c3)c2C[C@H](CO)N1C(=O)Cc1c(Cl)cccc1Cl | 10.1021/acsmedchemlett.9b00547 | |||
44320116 | 164203 | None | 0 | Human | Functional | pEC50 | = | 7.9 | 7.9 | 1 | 3 | ChEMBL | 279 | 6 | 3 | 4 | 3.0 | CCCCCCC1Cc2c(ccc(O)c2O)[C@H](CN)O1 | 10.1021/jm00112a034 | |||
CHEMBL420972 | 164203 | None | 0 | Human | Functional | pEC50 | = | 7.9 | 7.9 | 1 | 3 | ChEMBL | 279 | 6 | 3 | 4 | 3.0 | CCCCCCC1Cc2c(ccc(O)c2O)[C@H](CN)O1 | 10.1021/jm00112a034 | |||
117720272 | 118878 | None | 5 | Human | Functional | pEC50 | = | 7.9 | 7.9 | 18 | 3 | ChEMBL | 421 | 4 | 2 | 3 | 4.3 | C[C@H]1c2cccc(C(C)(C)O)c2C[C@H](CO)N1C(=O)Cc1c(Cl)cccc1Cl | 10.1021/acs.jmedchem.9b01234 | |||
CHEMBL3421730 | 118878 | None | 5 | Human | Functional | pEC50 | = | 7.9 | 7.9 | 18 | 3 | ChEMBL | 421 | 4 | 2 | 3 | 4.3 | C[C@H]1c2cccc(C(C)(C)O)c2C[C@H](CO)N1C(=O)Cc1c(Cl)cccc1Cl | 10.1021/acs.jmedchem.9b01234 | |||
1242 | 3613 | None | 17 | Human | Functional | pEC50 | = | 6.9 | 6.9 | 1 | 3 | ChEMBL | 255 | 1 | 3 | 3 | 2.4 | Oc1cc2CCNCC(c2cc1O)c1ccccc1 | 10.1016/j.bmc.2012.12.016 | |||
935 | 3613 | None | 17 | Human | Functional | pEC50 | = | 6.9 | 6.9 | 1 | 3 | ChEMBL | 255 | 1 | 3 | 3 | 2.4 | Oc1cc2CCNCC(c2cc1O)c1ccccc1 | 10.1016/j.bmc.2012.12.016 | |||
CHEMBL286080 | 3613 | None | 17 | Human | Functional | pEC50 | = | 6.9 | 6.9 | 1 | 3 | ChEMBL | 255 | 1 | 3 | 3 | 2.4 | Oc1cc2CCNCC(c2cc1O)c1ccccc1 | 10.1016/j.bmc.2012.12.016 | |||
146025697 | 175455 | None | 0 | Human | Functional | pEC50 | = | 5.9 | 5.9 | - | 1 | ChEMBL | 345 | 4 | 1 | 5 | 4.1 | Cc1cc(Oc2nccc3occc23)ccc1-c1cncc(C(N)=O)c1 | 10.1021/acs.jmedchem.9b00351 | |||
CHEMBL4574454 | 175455 | None | 0 | Human | Functional | pEC50 | = | 5.9 | 5.9 | - | 1 | ChEMBL | 345 | 4 | 1 | 5 | 4.1 | Cc1cc(Oc2nccc3occc23)ccc1-c1cncc(C(N)=O)c1 | 10.1021/acs.jmedchem.9b00351 | |||
168276676 | 190571 | None | 0 | Human | Functional | pEC50 | = | 4.9 | 4.9 | - | 1 | ChEMBL | 280 | 4 | 0 | 3 | 3.1 | CS(=O)(=O)c1ccc(-c2ccccc2OCF)cc1 | 10.1021/acs.jmedchem.2c00949 | |||
CHEMBL5178743 | 190571 | None | 0 | Human | Functional | pEC50 | = | 4.9 | 4.9 | - | 1 | ChEMBL | 280 | 4 | 0 | 3 | 3.1 | CS(=O)(=O)c1ccc(-c2ccccc2OCF)cc1 | 10.1021/acs.jmedchem.2c00949 | |||
146025697 | 175455 | None | 0 | Human | Functional | pEC50 | = | 5.9 | 5.9 | - | 1 | ChEMBL | 345 | 4 | 1 | 5 | 4.1 | Cc1cc(Oc2nccc3occc23)ccc1-c1cncc(C(N)=O)c1 | 10.1021/acs.jmedchem.9b00351 | |||
CHEMBL4574454 | 175455 | None | 0 | Human | Functional | pEC50 | = | 5.9 | 5.9 | - | 1 | ChEMBL | 345 | 4 | 1 | 5 | 4.1 | Cc1cc(Oc2nccc3occc23)ccc1-c1cncc(C(N)=O)c1 | 10.1021/acs.jmedchem.9b00351 | |||
130442561 | 166989 | None | 0 | Human | Functional | pEC50 | = | 5.9 | 5.9 | - | 1 | ChEMBL | 368 | 4 | 0 | 5 | 5.8 | COc1ccc2cnccc2c1-c1ccc(Oc2nccc3occc23)cc1 | 10.1021/acs.jmedchem.8b01622 | |||
CHEMBL4286110 | 166989 | None | 0 | Human | Functional | pEC50 | = | 5.9 | 5.9 | - | 1 | ChEMBL | 368 | 4 | 0 | 5 | 5.8 | COc1ccc2cnccc2c1-c1ccc(Oc2nccc3occc23)cc1 | 10.1021/acs.jmedchem.8b01622 | |||
161665 | 172688 | None | 26 | Human | Functional | pEC50 | = | 5.9 | 5.9 | -28 | 3 | ChEMBL | 341 | 3 | 1 | 5 | 3.1 | COc1cc2c(cc1OC)[C@@H]1Cc3ccc(O)c(OC)c3CN1CC2 | 10.1016/j.bmc.2012.12.016 | |||
CHEMBL448891 | 172688 | None | 26 | Human | Functional | pEC50 | = | 5.9 | 5.9 | -28 | 3 | ChEMBL | 341 | 3 | 1 | 5 | 3.1 | COc1cc2c(cc1OC)[C@@H]1Cc3ccc(O)c(OC)c3CN1CC2 | 10.1016/j.bmc.2012.12.016 | |||
85090324 | 180798 | None | 0 | Human | Functional | pEC50 | = | 6.9 | 6.9 | -4 | 2 | ChEMBL | 405 | 2 | 0 | 5 | 4.5 | Cn1c2ccccc2c(=O)c2c(=O)n(-c3ccc(Cl)cc3)c(C3CCCC3)nc21 | 10.1016/j.bmcl.2020.127696 | |||
CHEMBL4755481 | 180798 | None | 0 | Human | Functional | pEC50 | = | 6.9 | 6.9 | -4 | 2 | ChEMBL | 405 | 2 | 0 | 5 | 4.5 | Cn1c2ccccc2c(=O)c2c(=O)n(-c3ccc(Cl)cc3)c(C3CCCC3)nc21 | 10.1016/j.bmcl.2020.127696 | |||
6603820 | 95827 | None | 16 | Human | Functional | pEC50 | = | 7.9 | 7.9 | 1 | 7 | ChEMBL | 267 | 0 | 3 | 3 | 2.6 | Oc1cc2c(cc1O)[C@H]1c3ccccc3CN[C@@H]1CC2 | 10.1016/s0960-894x(99)00214-0 | |||
CHEMBL25856 | 95827 | None | 16 | Human | Functional | pEC50 | = | 7.9 | 7.9 | 1 | 7 | ChEMBL | 267 | 0 | 3 | 3 | 2.6 | Oc1cc2c(cc1O)[C@H]1c3ccccc3CN[C@@H]1CC2 | 10.1016/s0960-894x(99)00214-0 | |||
146025712 | 175587 | None | 0 | Human | Functional | pEC50 | = | 7.8 | 7.8 | - | 1 | ChEMBL | 366 | 3 | 0 | 5 | 5.4 | Cc1cc(Oc2nccc3ccccc23)ccc1-c1c(C)ncc2nccn12 | 10.1021/acs.jmedchem.9b00351 | |||
CHEMBL4577432 | 175587 | None | 0 | Human | Functional | pEC50 | = | 7.8 | 7.8 | - | 1 | ChEMBL | 366 | 3 | 0 | 5 | 5.4 | Cc1cc(Oc2nccc3ccccc23)ccc1-c1c(C)ncc2nccn12 | 10.1021/acs.jmedchem.9b00351 | |||
10666053 | 100440 | None | 0 | Goldfish | Functional | pEC50 | = | 6.9 | 6.9 | - | 1 | ChEMBL | 357 | 5 | 3 | 4 | 4.8 | CCCCCCc1cc2c(s1)[C@H]1c3cc(O)c(O)cc3CC[C@@H]1NC2 | 10.1021/jm970038v | |||
CHEMBL289927 | 100440 | None | 0 | Goldfish | Functional | pEC50 | = | 6.9 | 6.9 | - | 1 | ChEMBL | 357 | 5 | 3 | 4 | 4.8 | CCCCCCc1cc2c(s1)[C@H]1c3cc(O)c(O)cc3CC[C@@H]1NC2 | 10.1021/jm970038v | |||
146025703 | 171370 | None | 0 | Human | Functional | pEC50 | = | 6.9 | 6.9 | - | 1 | ChEMBL | 378 | 3 | 0 | 6 | 4.9 | Cc1ncc2nccn2c1-c1cc(F)c(Oc2nccc3occc23)c(F)c1 | 10.1021/acs.jmedchem.9b00351 | |||
CHEMBL4460394 | 171370 | None | 0 | Human | Functional | pEC50 | = | 6.9 | 6.9 | - | 1 | ChEMBL | 378 | 3 | 0 | 6 | 4.9 | Cc1ncc2nccn2c1-c1cc(F)c(Oc2nccc3occc23)c(F)c1 | 10.1021/acs.jmedchem.9b00351 | |||
75201901 | 166520 | None | 21 | Human | Functional | pEC50 | = | 6.9 | 6.9 | 95 | 4 | ChEMBL | 356 | 3 | 0 | 6 | 4.9 | Cc1cc(Oc2nccc3occc23)ccc1-c1c(C)ncc2nccn12 | 10.1021/acs.jmedchem.8b01622 | |||
CHEMBL4277264 | 166520 | None | 21 | Human | Functional | pEC50 | = | 6.9 | 6.9 | 95 | 4 | ChEMBL | 356 | 3 | 0 | 6 | 4.9 | Cc1cc(Oc2nccc3occc23)ccc1-c1c(C)ncc2nccn12 | 10.1021/acs.jmedchem.8b01622 | |||
146025703 | 171370 | None | 0 | Human | Functional | pEC50 | = | 6.9 | 6.9 | - | 1 | ChEMBL | 378 | 3 | 0 | 6 | 4.9 | Cc1ncc2nccn2c1-c1cc(F)c(Oc2nccc3occc23)c(F)c1 | 10.1021/acs.jmedchem.9b00351 | |||
CHEMBL4460394 | 171370 | None | 0 | Human | Functional | pEC50 | = | 6.9 | 6.9 | - | 1 | ChEMBL | 378 | 3 | 0 | 6 | 4.9 | Cc1ncc2nccn2c1-c1cc(F)c(Oc2nccc3occc23)c(F)c1 | 10.1021/acs.jmedchem.9b00351 | |||
15696481 | 79697 | None | 0 | Human | Functional | pEC50 | = | 6.9 | 6.9 | 75 | 2 | ChEMBL | 223 | 2 | 3 | 4 | 1.4 | CC[C@@H]1Cc2c(ccc(O)c2O)[C@H](CN)O1 | 10.1021/jm00112a034 | |||
CHEMBL2115213 | 79697 | None | 0 | Human | Functional | pEC50 | = | 6.9 | 6.9 | 75 | 2 | ChEMBL | 223 | 2 | 3 | 4 | 1.4 | CC[C@@H]1Cc2c(ccc(O)c2O)[C@H](CN)O1 | 10.1021/jm00112a034 | |||
146025712 | 175587 | None | 0 | Human | Functional | pEC50 | = | 7.8 | 7.8 | - | 1 | ChEMBL | 366 | 3 | 0 | 5 | 5.4 | Cc1cc(Oc2nccc3ccccc23)ccc1-c1c(C)ncc2nccn12 | 10.1021/acs.jmedchem.9b00351 | |||
CHEMBL4577432 | 175587 | None | 0 | Human | Functional | pEC50 | = | 7.8 | 7.8 | - | 1 | ChEMBL | 366 | 3 | 0 | 5 | 5.4 | Cc1cc(Oc2nccc3ccccc23)ccc1-c1c(C)ncc2nccn12 | 10.1021/acs.jmedchem.9b00351 | |||
132435 | 130777 | None | 2 | Rat | Functional | pEC50 | = | 7.8 | 7.8 | 8 | 2 | ChEMBL | 345 | 3 | 3 | 4 | 3.6 | C=CCN1CCc2c(cc(O)c(O)c2Cl)C(c2ccc(O)cc2)C1 | 10.1021/jm00384a006 | |||
CHEMBL130795 | 130777 | None | 2 | Rat | Functional | pEC50 | = | 7.8 | 7.8 | 8 | 2 | ChEMBL | 345 | 3 | 3 | 4 | 3.6 | C=CCN1CCc2c(cc(O)c(O)c2Cl)C(c2ccc(O)cc2)C1 | 10.1021/jm00384a006 | |||
CHEMBL368456 | 130777 | None | 2 | Rat | Functional | pEC50 | = | 7.8 | 7.8 | 8 | 2 | ChEMBL | 345 | 3 | 3 | 4 | 3.6 | C=CCN1CCc2c(cc(O)c(O)c2Cl)C(c2ccc(O)cc2)C1 | 10.1021/jm00384a006 | |||
146025704 | 172451 | None | 0 | Human | Functional | pEC50 | = | 7.8 | 7.8 | - | 1 | ChEMBL | 355 | 3 | 1 | 6 | 4.9 | Cc1cc(Nc2nccc3occc23)ccc1-c1c(C)ncc2nccn12 | 10.1021/acs.jmedchem.9b00351 | |||
CHEMBL4475848 | 172451 | None | 0 | Human | Functional | pEC50 | = | 7.8 | 7.8 | - | 1 | ChEMBL | 355 | 3 | 1 | 6 | 4.9 | Cc1cc(Nc2nccc3occc23)ccc1-c1c(C)ncc2nccn12 | 10.1021/acs.jmedchem.9b00351 | |||
44554818 | 104321 | None | 0 | Human | Functional | pEC50 | = | 6.8 | 6.8 | -89 | 2 | ChEMBL | 328 | 4 | 1 | 6 | 1.6 | CCCN1C[C@H](Cn2cncn2)O[C@@H]2Cc3c(O)cccc3C[C@H]21 | 10.1016/j.bmc.2013.11.012 | |||
CHEMBL3099234 | 104321 | None | 0 | Human | Functional | pEC50 | = | 6.8 | 6.8 | -89 | 2 | ChEMBL | 328 | 4 | 1 | 6 | 1.6 | CCCN1C[C@H](Cn2cncn2)O[C@@H]2Cc3c(O)cccc3C[C@H]21 | 10.1016/j.bmc.2013.11.012 | |||
44554472 | 106339 | None | 0 | Human | Functional | pEC50 | = | 6.8 | 6.8 | -1071 | 2 | ChEMBL | 247 | 2 | 1 | 3 | 2.0 | CCCN1CCO[C@@H]2Cc3c(O)cccc3C[C@H]21 | 10.1016/j.bmc.2013.11.012 | |||
CHEMBL3099226 | 106339 | None | 0 | Human | Functional | pEC50 | = | 6.8 | 6.8 | -1071 | 2 | ChEMBL | 247 | 2 | 1 | 3 | 2.0 | CCCN1CCO[C@@H]2Cc3c(O)cccc3C[C@H]21 | 10.1016/j.bmc.2013.11.012 | |||
CHEMBL3139040 | 106339 | None | 0 | Human | Functional | pEC50 | = | 6.8 | 6.8 | -1071 | 2 | ChEMBL | 247 | 2 | 1 | 3 | 2.0 | CCCN1CCO[C@@H]2Cc3c(O)cccc3C[C@H]21 | 10.1016/j.bmc.2013.11.012 | |||
85090328 | 181141 | None | 0 | Human | Functional | pEC50 | = | 6.8 | 6.8 | -6 | 2 | ChEMBL | 385 | 2 | 0 | 5 | 4.2 | Cc1ccc(-n2c(C3CCCC3)nc3c(c(=O)c4ccccc4n3C)c2=O)cc1 | 10.1016/j.bmcl.2020.127696 | |||
CHEMBL4759339 | 181141 | None | 0 | Human | Functional | pEC50 | = | 6.8 | 6.8 | -6 | 2 | ChEMBL | 385 | 2 | 0 | 5 | 4.2 | Cc1ccc(-n2c(C3CCCC3)nc3c(c(=O)c4ccccc4n3C)c2=O)cc1 | 10.1016/j.bmcl.2020.127696 | |||
85090323 | 182028 | None | 0 | Human | Functional | pEC50 | = | 6.8 | 6.8 | -4 | 2 | ChEMBL | 393 | 3 | 0 | 5 | 4.1 | CC(C)Cc1nc2c(c(=O)c3ccccc3n2C)c(=O)n1-c1ccc(Cl)cc1 | 10.1016/j.bmcl.2020.127696 | |||
CHEMBL4779641 | 182028 | None | 0 | Human | Functional | pEC50 | = | 6.8 | 6.8 | -4 | 2 | ChEMBL | 393 | 3 | 0 | 5 | 4.1 | CC(C)Cc1nc2c(c(=O)c3ccccc3n2C)c(=O)n1-c1ccc(Cl)cc1 | 10.1016/j.bmcl.2020.127696 | |||
146025813 | 175691 | None | 0 | Human | Functional | pEC50 | = | 6.8 | 6.8 | -2 | 2 | ChEMBL | 373 | 2 | 0 | 3 | 4.2 | COc1ccc2c(c1OC)-c1ccc(Br)c3c1[C@@H](C2)N(C)CC3 | 10.1021/acsmedchemlett.9b00575 | |||
CHEMBL4579687 | 175691 | None | 0 | Human | Functional | pEC50 | = | 6.8 | 6.8 | -2 | 2 | ChEMBL | 373 | 2 | 0 | 3 | 4.2 | COc1ccc2c(c1OC)-c1ccc(Br)c3c1[C@@H](C2)N(C)CC3 | 10.1021/acsmedchemlett.9b00575 | |||
146025813 | 175691 | None | 0 | Human | Functional | pEC50 | = | 6.8 | 6.8 | -2 | 2 | ChEMBL | 373 | 2 | 0 | 3 | 4.2 | COc1ccc2c(c1OC)-c1ccc(Br)c3c1[C@@H](C2)N(C)CC3 | 10.1021/acsmedchemlett.9b00575 | |||
CHEMBL4579687 | 175691 | None | 0 | Human | Functional | pEC50 | = | 6.8 | 6.8 | -2 | 2 | ChEMBL | 373 | 2 | 0 | 3 | 4.2 | COc1ccc2c(c1OC)-c1ccc(Br)c3c1[C@@H](C2)N(C)CC3 | 10.1021/acsmedchemlett.9b00575 | |||
90134304 | 166609 | None | 2 | Human | Functional | pEC50 | = | 6.8 | 6.8 | - | 1 | ChEMBL | 356 | 3 | 0 | 6 | 5.0 | Cc1cc(Oc2nccc3occc23)ccc1-n1c(C)nc2cnccc21 | 10.1021/acs.jmedchem.8b00435 | |||
CHEMBL4278861 | 166609 | None | 2 | Human | Functional | pEC50 | = | 6.8 | 6.8 | - | 1 | ChEMBL | 356 | 3 | 0 | 6 | 5.0 | Cc1cc(Oc2nccc3occc23)ccc1-n1c(C)nc2cnccc21 | 10.1021/acs.jmedchem.8b00435 | |||
146025821 | 169774 | None | 0 | Human | Functional | pEC50 | = | 5.8 | 5.8 | 100 | 2 | ChEMBL | 379 | 3 | 0 | 5 | 3.9 | CCc1cc2c(c(OC(C)=O)c1OC(C)=O)-c1cccc3c1[C@@H](C2)N(C)CC3 | 10.1021/acsmedchemlett.9b00575 | |||
CHEMBL4437552 | 169774 | None | 0 | Human | Functional | pEC50 | = | 5.8 | 5.8 | 100 | 2 | ChEMBL | 379 | 3 | 0 | 5 | 3.9 | CCc1cc2c(c(OC(C)=O)c1OC(C)=O)-c1cccc3c1[C@@H](C2)N(C)CC3 | 10.1021/acsmedchemlett.9b00575 | |||
146025821 | 169774 | None | 0 | Human | Functional | pEC50 | = | 5.8 | 5.8 | 100 | 2 | ChEMBL | 379 | 3 | 0 | 5 | 3.9 | CCc1cc2c(c(OC(C)=O)c1OC(C)=O)-c1cccc3c1[C@@H](C2)N(C)CC3 | 10.1021/acsmedchemlett.9b00575 | |||
CHEMBL4437552 | 169774 | None | 0 | Human | Functional | pEC50 | = | 5.8 | 5.8 | 100 | 2 | ChEMBL | 379 | 3 | 0 | 5 | 3.9 | CCc1cc2c(c(OC(C)=O)c1OC(C)=O)-c1cccc3c1[C@@H](C2)N(C)CC3 | 10.1021/acsmedchemlett.9b00575 | |||
146025820 | 173325 | None | 0 | Human | Functional | pEC50 | = | 5.8 | 5.8 | 6 | 2 | ChEMBL | 365 | 2 | 0 | 5 | 3.6 | CC(=O)Oc1c(C)cc2c(c1OC(C)=O)-c1cccc3c1[C@@H](C2)N(C)CC3 | 10.1021/acsmedchemlett.9b00575 | |||
CHEMBL4523054 | 173325 | None | 0 | Human | Functional | pEC50 | = | 5.8 | 5.8 | 6 | 2 | ChEMBL | 365 | 2 | 0 | 5 | 3.6 | CC(=O)Oc1c(C)cc2c(c1OC(C)=O)-c1cccc3c1[C@@H](C2)N(C)CC3 | 10.1021/acsmedchemlett.9b00575 | |||
146025820 | 173325 | None | 0 | Human | Functional | pEC50 | = | 5.8 | 5.8 | 6 | 2 | ChEMBL | 365 | 2 | 0 | 5 | 3.6 | CC(=O)Oc1c(C)cc2c(c1OC(C)=O)-c1cccc3c1[C@@H](C2)N(C)CC3 | 10.1021/acsmedchemlett.9b00575 | |||
CHEMBL4523054 | 173325 | None | 0 | Human | Functional | pEC50 | = | 5.8 | 5.8 | 6 | 2 | ChEMBL | 365 | 2 | 0 | 5 | 3.6 | CC(=O)Oc1c(C)cc2c(c1OC(C)=O)-c1cccc3c1[C@@H](C2)N(C)CC3 | 10.1021/acsmedchemlett.9b00575 | |||
85090329 | 182788 | None | 0 | Human | Functional | pEC50 | = | 6.8 | 6.8 | -8 | 2 | ChEMBL | 419 | 2 | 0 | 5 | 4.9 | Cn1c2ccccc2c(=O)c2c(=O)n(-c3ccc(Cl)cc3)c(C3CCCCC3)nc21 | 10.1016/j.bmcl.2020.127696 | |||
CHEMBL4789255 | 182788 | None | 0 | Human | Functional | pEC50 | = | 6.8 | 6.8 | -8 | 2 | ChEMBL | 419 | 2 | 0 | 5 | 4.9 | Cn1c2ccccc2c(=O)c2c(=O)n(-c3ccc(Cl)cc3)c(C3CCCCC3)nc21 | 10.1016/j.bmcl.2020.127696 | |||
137364078 | 192334 | None | 0 | Human | Functional | pEC50 | = | 4.8 | 4.8 | - | 1 | ChEMBL | 293 | 4 | 0 | 3 | 3.7 | CN=S(C)(=O)c1ccc(-c2ccccc2OCF)cc1 | 10.1021/acs.jmedchem.2c00949 | |||
CHEMBL5204914 | 192334 | None | 0 | Human | Functional | pEC50 | = | 4.8 | 4.8 | - | 1 | ChEMBL | 293 | 4 | 0 | 3 | 3.7 | CN=S(C)(=O)c1ccc(-c2ccccc2OCF)cc1 | 10.1021/acs.jmedchem.2c00949 | |||
3246443 | 37697 | None | 0 | Human | Functional | pEC50 | = | 4.8 | 4.8 | -16 | 3 | ChEMBL | 325 | 1 | 1 | 5 | 2.8 | COc1c(O)ccc2c1CN1CCc3cc4c(cc3[C@@H]1C2)OCO4 | 10.1016/j.bmc.2012.12.016 | |||
CHEMBL1457510 | 37697 | None | 0 | Human | Functional | pEC50 | = | 4.8 | 4.8 | -16 | 3 | ChEMBL | 325 | 1 | 1 | 5 | 2.8 | COc1c(O)ccc2c1CN1CCc3cc4c(cc3[C@@H]1C2)OCO4 | 10.1016/j.bmc.2012.12.016 | |||
146025704 | 172451 | None | 0 | Human | Functional | pEC50 | = | 7.8 | 7.8 | - | 1 | ChEMBL | 355 | 3 | 1 | 6 | 4.9 | Cc1cc(Nc2nccc3occc23)ccc1-c1c(C)ncc2nccn12 | 10.1021/acs.jmedchem.9b00351 | |||
CHEMBL4475848 | 172451 | None | 0 | Human | Functional | pEC50 | = | 7.8 | 7.8 | - | 1 | ChEMBL | 355 | 3 | 1 | 6 | 4.9 | Cc1cc(Nc2nccc3occc23)ccc1-c1c(C)ncc2nccn12 | 10.1021/acs.jmedchem.9b00351 | |||
44320053 | 208231 | None | 0 | Human | Functional | pEC50 | = | 7.8 | 7.8 | 3 | 2 | ChEMBL | 251 | 1 | 3 | 4 | 2.1 | CC(C)(C)C1Cc2c(ccc(O)c2O)[C@H](CN)O1 | 10.1021/jm00112a034 | |||
CHEMBL82899 | 208231 | None | 0 | Human | Functional | pEC50 | = | 7.8 | 7.8 | 3 | 2 | ChEMBL | 251 | 1 | 3 | 4 | 2.1 | CC(C)(C)C1Cc2c(ccc(O)c2O)[C@H](CN)O1 | 10.1021/jm00112a034 | |||
11938 | 2412 | None | 8 | Human | Functional | pEC50 | = | 7.8 | 7.8 | 11 | 4 | ChEMBL | 443 | 4 | 1 | 4 | 4.4 | C[C@H]1c2cccc(c3cn(C)nc3)c2C[C@H](CO)N1C(=O)Cc1c(Cl)cccc1Cl | 10.1021/acsmedchemlett.9b00547 | |||
146192952 | 2412 | None | 8 | Human | Functional | pEC50 | = | 7.8 | 7.8 | 11 | 4 | ChEMBL | 443 | 4 | 1 | 4 | 4.4 | C[C@H]1c2cccc(c3cn(C)nc3)c2C[C@H](CO)N1C(=O)Cc1c(Cl)cccc1Cl | 10.1021/acsmedchemlett.9b00547 | |||
CHEMBL4468760 | 2412 | None | 8 | Human | Functional | pEC50 | = | 7.8 | 7.8 | 11 | 4 | ChEMBL | 443 | 4 | 1 | 4 | 4.4 | C[C@H]1c2cccc(c3cn(C)nc3)c2C[C@H](CO)N1C(=O)Cc1c(Cl)cccc1Cl | 10.1021/acsmedchemlett.9b00547 | |||
44287454 | 13233 | None | 0 | Goldfish | Functional | pEC50 | = | 6.8 | 6.8 | - | 1 | ChEMBL | 315 | 2 | 3 | 4 | 3.7 | CCCc1csc2c1CN[C@@H]1CCc3cc(O)c(O)cc3[C@@H]21 | 10.1021/jm970038v | |||
CHEMBL1191276 | 13233 | None | 0 | Goldfish | Functional | pEC50 | = | 6.8 | 6.8 | - | 1 | ChEMBL | 315 | 2 | 3 | 4 | 3.7 | CCCc1csc2c1CN[C@@H]1CCc3cc(O)c(O)cc3[C@@H]21 | 10.1021/jm970038v | |||
CHEMBL542351 | 13233 | None | 0 | Goldfish | Functional | pEC50 | = | 6.8 | 6.8 | - | 1 | ChEMBL | 315 | 2 | 3 | 4 | 3.7 | CCCc1csc2c1CN[C@@H]1CCc3cc(O)c(O)cc3[C@@H]21 | 10.1021/jm970038v | |||
146025718 | 175297 | None | 0 | Human | Functional | pEC50 | = | 6.8 | 6.8 | - | 1 | ChEMBL | 346 | 3 | 1 | 6 | 4.2 | Cc1cc(Oc2nccc(O)c2C)ccc1-c1c(C)ncc2nccn12 | 10.1021/acs.jmedchem.9b00351 | |||
CHEMBL4570859 | 175297 | None | 0 | Human | Functional | pEC50 | = | 6.8 | 6.8 | - | 1 | ChEMBL | 346 | 3 | 1 | 6 | 4.2 | Cc1cc(Oc2nccc(O)c2C)ccc1-c1c(C)ncc2nccn12 | 10.1021/acs.jmedchem.9b00351 | |||
117720272 | 118878 | None | 5 | Rat | Functional | pEC50 | = | 6.8 | 6.8 | -18 | 3 | ChEMBL | 421 | 4 | 2 | 3 | 4.3 | C[C@H]1c2cccc(C(C)(C)O)c2C[C@H](CO)N1C(=O)Cc1c(Cl)cccc1Cl | 10.1021/acs.jmedchem.8b01767 | |||
CHEMBL3421730 | 118878 | None | 5 | Rat | Functional | pEC50 | = | 6.8 | 6.8 | -18 | 3 | ChEMBL | 421 | 4 | 2 | 3 | 4.3 | C[C@H]1c2cccc(C(C)(C)O)c2C[C@H](CO)N1C(=O)Cc1c(Cl)cccc1Cl | 10.1021/acs.jmedchem.8b01767 | |||
146025718 | 175297 | None | 0 | Human | Functional | pEC50 | = | 6.8 | 6.8 | - | 1 | ChEMBL | 346 | 3 | 1 | 6 | 4.2 | Cc1cc(Oc2nccc(O)c2C)ccc1-c1c(C)ncc2nccn12 | 10.1021/acs.jmedchem.9b00351 | |||
CHEMBL4570859 | 175297 | None | 0 | Human | Functional | pEC50 | = | 6.8 | 6.8 | - | 1 | ChEMBL | 346 | 3 | 1 | 6 | 4.2 | Cc1cc(Oc2nccc(O)c2C)ccc1-c1c(C)ncc2nccn12 | 10.1021/acs.jmedchem.9b00351 | |||
85090333 | 181407 | None | 0 | Human | Functional | pEC50 | = | 6.8 | 6.8 | -10 | 2 | ChEMBL | 399 | 2 | 0 | 5 | 4.6 | Cc1ccc(-n2c(C3CCCCC3)nc3c(c(=O)c4ccccc4n3C)c2=O)cc1 | 10.1016/j.bmcl.2020.127696 | |||
CHEMBL4762375 | 181407 | None | 0 | Human | Functional | pEC50 | = | 6.8 | 6.8 | -10 | 2 | ChEMBL | 399 | 2 | 0 | 5 | 4.6 | Cc1ccc(-n2c(C3CCCCC3)nc3c(c(=O)c4ccccc4n3C)c2=O)cc1 | 10.1016/j.bmcl.2020.127696 | |||
76284419 | 183354 | None | 0 | Human | Functional | pEC50 | = | 6.8 | 6.8 | -3 | 2 | ChEMBL | 343 | 2 | 0 | 5 | 3.1 | Cn1c2ccccc2c(=O)c2c(=O)n(-c3ccccc3)c(C3CC3)nc21 | 10.1016/j.bmcl.2020.127696 | |||
CHEMBL4796389 | 183354 | None | 0 | Human | Functional | pEC50 | = | 6.8 | 6.8 | -3 | 2 | ChEMBL | 343 | 2 | 0 | 5 | 3.1 | Cn1c2ccccc2c(=O)c2c(=O)n(-c3ccccc3)c(C3CC3)nc21 | 10.1016/j.bmcl.2020.127696 | |||
85090325 | 179855 | None | 0 | Human | Functional | pEC50 | = | 6.8 | 6.8 | -3 | 2 | ChEMBL | 405 | 2 | 0 | 5 | 4.5 | Cn1c2ccccc2c(=O)c2c(=O)n(-c3cccc(Cl)c3)c(C3CCCC3)nc21 | 10.1016/j.bmcl.2020.127696 | |||
CHEMBL4744261 | 179855 | None | 0 | Human | Functional | pEC50 | = | 6.8 | 6.8 | -3 | 2 | ChEMBL | 405 | 2 | 0 | 5 | 4.5 | Cn1c2ccccc2c(=O)c2c(=O)n(-c3cccc(Cl)c3)c(C3CCCC3)nc21 | 10.1016/j.bmcl.2020.127696 | |||
75201901 | 166520 | None | 21 | Human | Functional | pEC50 | = | 7.8 | 7.8 | 95 | 4 | ChEMBL | 356 | 3 | 0 | 6 | 4.9 | Cc1cc(Oc2nccc3occc23)ccc1-c1c(C)ncc2nccn12 | 10.1021/acs.jmedchem.8b00435 | |||
CHEMBL4277264 | 166520 | None | 21 | Human | Functional | pEC50 | = | 7.8 | 7.8 | 95 | 4 | ChEMBL | 356 | 3 | 0 | 6 | 4.9 | Cc1cc(Oc2nccc3occc23)ccc1-c1c(C)ncc2nccn12 | 10.1021/acs.jmedchem.8b00435 | |||
10854877 | 142102 | None | 0 | Goldfish | Functional | pEC50 | = | 6.8 | 6.8 | - | 1 | ChEMBL | 343 | 4 | 3 | 4 | 4.4 | CCCCCc1cc2c(s1)CN[C@H]1CCc3cc(O)c(O)cc3[C@H]21 | 10.1021/jm970038v | |||
CHEMBL38757 | 142102 | None | 0 | Goldfish | Functional | pEC50 | = | 6.8 | 6.8 | - | 1 | ChEMBL | 343 | 4 | 3 | 4 | 4.4 | CCCCCc1cc2c(s1)CN[C@H]1CCc3cc(O)c(O)cc3[C@H]21 | 10.1021/jm970038v | |||
10733562 | 147102 | None | 0 | Goldfish | Functional | pEC50 | = | 6.8 | 6.8 | - | 1 | ChEMBL | 307 | 0 | 3 | 4 | 3.4 | Oc1cc2c(cc1O)[C@@H]1c3cc(Cl)sc3CN[C@H]1CC2 | 10.1021/jm970038v | |||
CHEMBL39266 | 147102 | None | 0 | Goldfish | Functional | pEC50 | = | 6.8 | 6.8 | - | 1 | ChEMBL | 307 | 0 | 3 | 4 | 3.4 | Oc1cc2c(cc1O)[C@@H]1c3cc(Cl)sc3CN[C@H]1CC2 | 10.1021/jm970038v | |||
1242 | 3613 | None | 17 | Human | Functional | pEC50 | = | 6.8 | 6.8 | 1 | 3 | ChEMBL | 255 | 1 | 3 | 3 | 2.4 | Oc1cc2CCNCC(c2cc1O)c1ccccc1 | 10.1016/j.bmc.2012.05.057 | |||
935 | 3613 | None | 17 | Human | Functional | pEC50 | = | 6.8 | 6.8 | 1 | 3 | ChEMBL | 255 | 1 | 3 | 3 | 2.4 | Oc1cc2CCNCC(c2cc1O)c1ccccc1 | 10.1016/j.bmc.2012.05.057 | |||
CHEMBL286080 | 3613 | None | 17 | Human | Functional | pEC50 | = | 6.8 | 6.8 | 1 | 3 | ChEMBL | 255 | 1 | 3 | 3 | 2.4 | Oc1cc2CCNCC(c2cc1O)c1ccccc1 | 10.1016/j.bmc.2012.05.057 | |||
136326241 | 179534 | None | 0 | Human | Functional | pEC50 | = | 6.8 | 6.8 | -4 | 2 | ChEMBL | 295 | 1 | 1 | 4 | 2.4 | Cn1c2ccccc2c(=O)c2c(=O)[nH]c(C3CCCC3)nc21 | 10.1016/j.bmcl.2020.127696 | |||
CHEMBL4740312 | 179534 | None | 0 | Human | Functional | pEC50 | = | 6.8 | 6.8 | -4 | 2 | ChEMBL | 295 | 1 | 1 | 4 | 2.4 | Cn1c2ccccc2c(=O)c2c(=O)[nH]c(C3CCCC3)nc21 | 10.1016/j.bmcl.2020.127696 | |||
146192966 | 175420 | None | 0 | Human | Functional | pEC50 | = | 6.8 | 6.8 | - | 1 | ChEMBL | 457 | 5 | 1 | 4 | 4.9 | CCn1cc(-c2cccc3c2C[C@H](CO)N(C(=O)Cc2c(Cl)cccc2Cl)[C@H]3C)cn1 | 10.1021/acsmedchemlett.9b00547 | |||
CHEMBL4573538 | 175420 | None | 0 | Human | Functional | pEC50 | = | 6.8 | 6.8 | - | 1 | ChEMBL | 457 | 5 | 1 | 4 | 4.9 | CCn1cc(-c2cccc3c2C[C@H](CO)N(C(=O)Cc2c(Cl)cccc2Cl)[C@H]3C)cn1 | 10.1021/acsmedchemlett.9b00547 | |||
44319988 | 208537 | None | 0 | Human | Functional | pEC50 | = | 5.8 | 5.8 | - | 1 | ChEMBL | 335 | 6 | 4 | 5 | 2.6 | OCCCNC[C@@H]1OC(C2CCCCC2)Cc2c1ccc(O)c2O | 10.1021/jm00112a034 | |||
CHEMBL85552 | 208537 | None | 0 | Human | Functional | pEC50 | = | 5.8 | 5.8 | - | 1 | ChEMBL | 335 | 6 | 4 | 5 | 2.6 | OCCCNC[C@@H]1OC(C2CCCCC2)Cc2c1ccc(O)c2O | 10.1021/jm00112a034 | |||
10758745 | 100487 | None | 0 | Goldfish | Functional | pEC50 | = | 5.8 | 5.8 | - | 1 | ChEMBL | 329 | 0 | 3 | 4 | 4.0 | CC(C)(C)c1cc2c(s1)CN[C@H]1CCc3cc(O)c(O)cc3[C@H]21 | 10.1021/jm970038v | |||
CHEMBL2115373 | 100487 | None | 0 | Goldfish | Functional | pEC50 | = | 5.8 | 5.8 | - | 1 | ChEMBL | 329 | 0 | 3 | 4 | 4.0 | CC(C)(C)c1cc2c(s1)CN[C@H]1CCc3cc(O)c(O)cc3[C@H]21 | 10.1021/jm970038v | |||
CHEMBL290438 | 100487 | None | 0 | Goldfish | Functional | pEC50 | = | 5.8 | 5.8 | - | 1 | ChEMBL | 329 | 0 | 3 | 4 | 4.0 | CC(C)(C)c1cc2c(s1)CN[C@H]1CCc3cc(O)c(O)cc3[C@H]21 | 10.1021/jm970038v | |||
1218 | 3616 | None | 23 | Human | Functional | pEC50 | = | 5.8 | 5.8 | -295 | 4 | ChEMBL | 289 | 1 | 3 | 3 | 3.0 | Oc1c(O)cc2c(c1Cl)CCNCC2c1ccccc1 | 10.1021/acs.jmedchem.3c00976 | |||
938 | 3616 | None | 23 | Human | Functional | pEC50 | = | 5.8 | 5.8 | -295 | 4 | ChEMBL | 289 | 1 | 3 | 3 | 3.0 | Oc1c(O)cc2c(c1Cl)CCNCC2c1ccccc1 | 10.1021/acs.jmedchem.3c00976 | |||
CHEMBL353335 | 3616 | None | 23 | Human | Functional | pEC50 | = | 5.8 | 5.8 | -295 | 4 | ChEMBL | 289 | 1 | 3 | 3 | 3.0 | Oc1c(O)cc2c(c1Cl)CCNCC2c1ccccc1 | 10.1021/acs.jmedchem.3c00976 | |||
44276414 | 97681 | None | 0 | Human | Functional | pEC50 | = | 7.8 | 7.8 | - | 1 | ChEMBL | 286 | 0 | 3 | 4 | 2.2 | Oc1cc2c(cc1O)[C@H]1c3ccc(F)nc3CN[C@@H]1CC2 | 10.1016/s0960-894x(99)00214-0 | |||
CHEMBL27101 | 97681 | None | 0 | Human | Functional | pEC50 | = | 7.8 | 7.8 | - | 1 | ChEMBL | 286 | 0 | 3 | 4 | 2.2 | Oc1cc2c(cc1O)[C@H]1c3ccc(F)nc3CN[C@@H]1CC2 | 10.1016/s0960-894x(99)00214-0 | |||
155548298 | 173855 | None | 0 | Human | Functional | pEC50 | = | 7.7 | 7.7 | - | 1 | ChEMBL | 473 | 6 | 2 | 5 | 3.9 | C[C@H]1c2cccc(-c3cnn(CCO)c3)c2C[C@H](CO)N1C(=O)Cc1c(Cl)cccc1Cl | 10.1021/acsmedchemlett.9b00547 | |||
CHEMBL4536851 | 173855 | None | 0 | Human | Functional | pEC50 | = | 7.7 | 7.7 | - | 1 | ChEMBL | 473 | 6 | 2 | 5 | 3.9 | C[C@H]1c2cccc(-c3cnn(CCO)c3)c2C[C@H](CO)N1C(=O)Cc1c(Cl)cccc1Cl | 10.1021/acsmedchemlett.9b00547 | |||
44320001 | 208474 | None | 0 | Rat | Functional | pEC50 | = | 7.7 | 7.7 | -3 | 2 | ChEMBL | 299 | 4 | 3 | 4 | 2.7 | NC[C@@H]1OC(CCc2ccccc2)Cc2c1ccc(O)c2O | 10.1021/jm00112a034 | |||
CHEMBL84983 | 208474 | None | 0 | Rat | Functional | pEC50 | = | 7.7 | 7.7 | -3 | 2 | ChEMBL | 299 | 4 | 3 | 4 | 2.7 | NC[C@@H]1OC(CCc2ccccc2)Cc2c1ccc(O)c2O | 10.1021/jm00112a034 | |||
1242 | 3613 | None | 17 | Human | Functional | pEC50 | = | 6.8 | 6.8 | 1 | 3 | ChEMBL | 255 | 1 | 3 | 3 | 2.4 | Oc1cc2CCNCC(c2cc1O)c1ccccc1 | 10.1016/j.bmc.2014.09.024 | |||
935 | 3613 | None | 17 | Human | Functional | pEC50 | = | 6.8 | 6.8 | 1 | 3 | ChEMBL | 255 | 1 | 3 | 3 | 2.4 | Oc1cc2CCNCC(c2cc1O)c1ccccc1 | 10.1016/j.bmc.2014.09.024 | |||
CHEMBL286080 | 3613 | None | 17 | Human | Functional | pEC50 | = | 6.8 | 6.8 | 1 | 3 | ChEMBL | 255 | 1 | 3 | 3 | 2.4 | Oc1cc2CCNCC(c2cc1O)c1ccccc1 | 10.1016/j.bmc.2014.09.024 | |||
146025729 | 174263 | None | 0 | Human | Functional | pEC50 | = | 6.8 | 6.8 | - | 1 | ChEMBL | 395 | 3 | 0 | 6 | 4.9 | FC(F)(F)c1cc(Oc2nccn3ccnc23)ccc1-c1cccc2nccn12 | 10.1021/acs.jmedchem.9b00351 | |||
CHEMBL4546823 | 174263 | None | 0 | Human | Functional | pEC50 | = | 6.8 | 6.8 | - | 1 | ChEMBL | 395 | 3 | 0 | 6 | 4.9 | FC(F)(F)c1cc(Oc2nccn3ccnc23)ccc1-c1cccc2nccn12 | 10.1021/acs.jmedchem.9b00351 | |||
44276652 | 99548 | None | 0 | Human | Functional | pEC50 | = | 6.8 | 6.8 | - | 1 | ChEMBL | 324 | 3 | 3 | 4 | 3.4 | CCCCc1cnc2c(c1)[C@@H]1c3cc(O)c(O)cc3CC[C@H]1NC2 | 10.1016/s0960-894x(99)00214-0 | |||
CHEMBL283247 | 99548 | None | 0 | Human | Functional | pEC50 | = | 6.8 | 6.8 | - | 1 | ChEMBL | 324 | 3 | 3 | 4 | 3.4 | CCCCc1cnc2c(c1)[C@@H]1c3cc(O)c(O)cc3CC[C@H]1NC2 | 10.1016/s0960-894x(99)00214-0 | |||
146025729 | 174263 | None | 0 | Human | Functional | pEC50 | = | 6.7 | 6.7 | - | 1 | ChEMBL | 395 | 3 | 0 | 6 | 4.9 | FC(F)(F)c1cc(Oc2nccn3ccnc23)ccc1-c1cccc2nccn12 | 10.1021/acs.jmedchem.9b00351 | |||
CHEMBL4546823 | 174263 | None | 0 | Human | Functional | pEC50 | = | 6.7 | 6.7 | - | 1 | ChEMBL | 395 | 3 | 0 | 6 | 4.9 | FC(F)(F)c1cc(Oc2nccn3ccnc23)ccc1-c1cccc2nccn12 | 10.1021/acs.jmedchem.9b00351 | |||
85090322 | 179565 | None | 0 | Human | Functional | pEC50 | = | 6.7 | 6.7 | -4 | 2 | ChEMBL | 415 | 3 | 0 | 6 | 4.3 | COc1ccc(-n2c(C3CCCCC3)nc3c(c(=O)c4ccccc4n3C)c2=O)cc1 | 10.1016/j.bmcl.2020.127696 | |||
CHEMBL4740678 | 179565 | None | 0 | Human | Functional | pEC50 | = | 6.7 | 6.7 | -4 | 2 | ChEMBL | 415 | 3 | 0 | 6 | 4.3 | COc1ccc(-n2c(C3CCCCC3)nc3c(c(=O)c4ccccc4n3C)c2=O)cc1 | 10.1016/j.bmcl.2020.127696 | |||
85090321 | 182919 | None | 0 | Human | Functional | pEC50 | = | 6.7 | 6.7 | -6 | 2 | ChEMBL | 373 | 3 | 0 | 5 | 3.7 | Cc1ccc(-n2c(CC(C)C)nc3c(c(=O)c4ccccc4n3C)c2=O)cc1 | 10.1016/j.bmcl.2020.127696 | |||
CHEMBL4790909 | 182919 | None | 0 | Human | Functional | pEC50 | = | 6.7 | 6.7 | -6 | 2 | ChEMBL | 373 | 3 | 0 | 5 | 3.7 | Cc1ccc(-n2c(CC(C)C)nc3c(c(=O)c4ccccc4n3C)c2=O)cc1 | 10.1016/j.bmcl.2020.127696 | |||
168294420 | 192619 | None | 0 | Human | Functional | pEC50 | = | 4.7 | 4.7 | - | 1 | ChEMBL | 248 | 4 | 0 | 2 | 3.8 | O=Cc1ccc(-c2ccccc2OC(F)F)cc1 | 10.1021/acs.jmedchem.2c00949 | |||
CHEMBL5209228 | 192619 | None | 0 | Human | Functional | pEC50 | = | 4.7 | 4.7 | - | 1 | ChEMBL | 248 | 4 | 0 | 2 | 3.8 | O=Cc1ccc(-c2ccccc2OC(F)F)cc1 | 10.1021/acs.jmedchem.2c00949 | |||
6603820 | 95827 | None | 16 | Human | Functional | pEC50 | = | 7.7 | 7.7 | 1 | 7 | ChEMBL | 267 | 0 | 3 | 3 | 2.6 | Oc1cc2c(cc1O)[C@H]1c3ccccc3CN[C@@H]1CC2 | 10.1021/jm0604979 | |||
CHEMBL25856 | 95827 | None | 16 | Human | Functional | pEC50 | = | 7.7 | 7.7 | 1 | 7 | ChEMBL | 267 | 0 | 3 | 3 | 2.6 | Oc1cc2c(cc1O)[C@H]1c3ccccc3CN[C@@H]1CC2 | 10.1021/jm0604979 | |||
44554820 | 106342 | None | 0 | Human | Functional | pEC50 | = | 7.7 | 7.7 | -31 | 2 | ChEMBL | 307 | 4 | 1 | 4 | 2.7 | CCCN1C[C@H](CSC)O[C@@H]2Cc3c(O)cccc3C[C@H]21 | 10.1016/j.bmc.2013.11.012 | |||
CHEMBL3099222 | 106342 | None | 0 | Human | Functional | pEC50 | = | 7.7 | 7.7 | -31 | 2 | ChEMBL | 307 | 4 | 1 | 4 | 2.7 | CCCN1C[C@H](CSC)O[C@@H]2Cc3c(O)cccc3C[C@H]21 | 10.1016/j.bmc.2013.11.012 | |||
CHEMBL3139044 | 106342 | None | 0 | Human | Functional | pEC50 | = | 7.7 | 7.7 | -31 | 2 | ChEMBL | 307 | 4 | 1 | 4 | 2.7 | CCCN1C[C@H](CSC)O[C@@H]2Cc3c(O)cccc3C[C@H]21 | 10.1016/j.bmc.2013.11.012 | |||
146025724 | 172367 | None | 0 | Human | Functional | pEC50 | = | 6.7 | 6.7 | - | 1 | ChEMBL | 363 | 3 | 0 | 5 | 5.2 | Fc1cc(-c2cccc3nccn23)cc(F)c1Oc1nccc2occc12 | 10.1021/acs.jmedchem.9b00351 | |||
CHEMBL4474567 | 172367 | None | 0 | Human | Functional | pEC50 | = | 6.7 | 6.7 | - | 1 | ChEMBL | 363 | 3 | 0 | 5 | 5.2 | Fc1cc(-c2cccc3nccn23)cc(F)c1Oc1nccc2occc12 | 10.1021/acs.jmedchem.9b00351 | |||
146025819 | 175756 | None | 0 | Human | Functional | pEC50 | = | 6.7 | 6.7 | 3 | 2 | ChEMBL | 385 | 2 | 0 | 5 | 3.9 | CC(=O)Oc1c(Cl)cc2c(c1OC(C)=O)-c1cccc3c1[C@@H](C2)N(C)CC3 | 10.1021/acsmedchemlett.9b00575 | |||
CHEMBL4581262 | 175756 | None | 0 | Human | Functional | pEC50 | = | 6.7 | 6.7 | 3 | 2 | ChEMBL | 385 | 2 | 0 | 5 | 3.9 | CC(=O)Oc1c(Cl)cc2c(c1OC(C)=O)-c1cccc3c1[C@@H](C2)N(C)CC3 | 10.1021/acsmedchemlett.9b00575 | |||
146025819 | 175756 | None | 0 | Human | Functional | pEC50 | = | 6.7 | 6.7 | 3 | 2 | ChEMBL | 385 | 2 | 0 | 5 | 3.9 | CC(=O)Oc1c(Cl)cc2c(c1OC(C)=O)-c1cccc3c1[C@@H](C2)N(C)CC3 | 10.1021/acsmedchemlett.9b00575 | |||
CHEMBL4581262 | 175756 | None | 0 | Human | Functional | pEC50 | = | 6.7 | 6.7 | 3 | 2 | ChEMBL | 385 | 2 | 0 | 5 | 3.9 | CC(=O)Oc1c(Cl)cc2c(c1OC(C)=O)-c1cccc3c1[C@@H](C2)N(C)CC3 | 10.1021/acsmedchemlett.9b00575 | |||
146025724 | 172367 | None | 0 | Human | Functional | pEC50 | = | 6.7 | 6.7 | - | 1 | ChEMBL | 363 | 3 | 0 | 5 | 5.2 | Fc1cc(-c2cccc3nccn23)cc(F)c1Oc1nccc2occc12 | 10.1021/acs.jmedchem.9b00351 | |||
CHEMBL4474567 | 172367 | None | 0 | Human | Functional | pEC50 | = | 6.7 | 6.7 | - | 1 | ChEMBL | 363 | 3 | 0 | 5 | 5.2 | Fc1cc(-c2cccc3nccn23)cc(F)c1Oc1nccc2occc12 | 10.1021/acs.jmedchem.9b00351 | |||
85090334 | 180731 | None | 0 | Human | Functional | pEC50 | = | 6.7 | 6.7 | -11 | 2 | ChEMBL | 399 | 3 | 0 | 5 | 4.4 | Cn1c2ccccc2c(=O)c2c(=O)n(-c3ccccc3)c(CC3CCCCC3)nc21 | 10.1016/j.bmcl.2020.127696 | |||
CHEMBL4754761 | 180731 | None | 0 | Human | Functional | pEC50 | = | 6.7 | 6.7 | -11 | 2 | ChEMBL | 399 | 3 | 0 | 5 | 4.4 | Cn1c2ccccc2c(=O)c2c(=O)n(-c3ccccc3)c(CC3CCCCC3)nc21 | 10.1016/j.bmcl.2020.127696 | |||
85090331 | 181559 | None | 0 | Human | Functional | pEC50 | = | 6.7 | 6.7 | -6 | 2 | ChEMBL | 449 | 3 | 0 | 6 | 4.9 | COc1ccc(-n2c(C3CCCCC3)nc3c(c(=O)c4ccccc4n3C)c2=O)cc1Cl | 10.1016/j.bmcl.2020.127696 | |||
CHEMBL4764398 | 181559 | None | 0 | Human | Functional | pEC50 | = | 6.7 | 6.7 | -6 | 2 | ChEMBL | 449 | 3 | 0 | 6 | 4.9 | COc1ccc(-n2c(C3CCCCC3)nc3c(c(=O)c4ccccc4n3C)c2=O)cc1Cl | 10.1016/j.bmcl.2020.127696 | |||
12668019 | 10241 | None | 5 | Human | Functional | pEC50 | = | 8.7 | 8.7 | - | 1 | ChEMBL | 289 | 1 | 3 | 3 | 3.0 | Oc1cc2c(c(Cl)c1O)CCNC[C@@H]2c1ccccc1 | 10.1021/acs.jmedchem.8b00435 | |||
CHEMBL1160787 | 10241 | None | 5 | Human | Functional | pEC50 | = | 8.7 | 8.7 | - | 1 | ChEMBL | 289 | 1 | 3 | 3 | 3.0 | Oc1cc2c(c(Cl)c1O)CCNC[C@@H]2c1ccccc1 | 10.1021/acs.jmedchem.8b00435 | |||
44320061 | 106088 | None | 0 | Human | Functional | pEC50 | = | 8.7 | 8.7 | - | 1 | ChEMBL | 397 | 2 | 3 | 4 | 3.0 | NC[C@@H]1OC(c2ccc(I)cc2)Cc2c1ccc(O)c2O | 10.1021/jm00112a034 | |||
CHEMBL313304 | 106088 | None | 0 | Human | Functional | pEC50 | = | 8.7 | 8.7 | - | 1 | ChEMBL | 397 | 2 | 3 | 4 | 3.0 | NC[C@@H]1OC(c2ccc(I)cc2)Cc2c1ccc(O)c2O | 10.1021/jm00112a034 | |||
14809027 | 107085 | None | 0 | Human | Functional | pEC50 | = | 8.7 | 8.7 | 3 | 3 | ChEMBL | 271 | 2 | 3 | 4 | 2.4 | NC[C@@H]1OC(c2ccccc2)Cc2c1ccc(O)c2O | 10.1021/jm00112a034 | |||
CHEMBL315468 | 107085 | None | 0 | Human | Functional | pEC50 | = | 8.7 | 8.7 | 3 | 3 | ChEMBL | 271 | 2 | 3 | 4 | 2.4 | NC[C@@H]1OC(c2ccccc2)Cc2c1ccc(O)c2O | 10.1021/jm00112a034 | |||
122324 | 205 | None | 17 | Human | Functional | pEC50 | = | 8.7 | 8.7 | -4 | 4 | ChEMBL | 271 | 2 | 3 | 4 | 2.4 | NC[C@@H]1O[C@@H](Cc2c1ccc(c2O)O)c1ccccc1 | 10.1021/jm00173a005 | |||
6077 | 205 | None | 17 | Human | Functional | pEC50 | = | 8.7 | 8.7 | -4 | 4 | ChEMBL | 271 | 2 | 3 | 4 | 2.4 | NC[C@@H]1O[C@@H](Cc2c1ccc(c2O)O)c1ccccc1 | 10.1021/jm00173a005 | |||
CHEMBL86931 | 205 | None | 17 | Human | Functional | pEC50 | = | 8.7 | 8.7 | -4 | 4 | ChEMBL | 271 | 2 | 3 | 4 | 2.4 | NC[C@@H]1O[C@@H](Cc2c1ccc(c2O)O)c1ccccc1 | 10.1021/jm00173a005 | |||
146025727 | 171788 | None | 0 | Human | Functional | pEC50 | = | 8.7 | 8.7 | - | 1 | ChEMBL | 411 | 3 | 0 | 5 | 6.4 | FC(F)(F)c1cc(Oc2nccc3ccsc23)ccc1-c1cccc2nccn12 | 10.1021/acs.jmedchem.9b00351 | |||
CHEMBL4466483 | 171788 | None | 0 | Human | Functional | pEC50 | = | 8.7 | 8.7 | - | 1 | ChEMBL | 411 | 3 | 0 | 5 | 6.4 | FC(F)(F)c1cc(Oc2nccc3ccsc23)ccc1-c1cccc2nccn12 | 10.1021/acs.jmedchem.9b00351 | |||
146025727 | 171788 | None | 0 | Human | Functional | pEC50 | = | 8.7 | 8.7 | - | 1 | ChEMBL | 411 | 3 | 0 | 5 | 6.4 | FC(F)(F)c1cc(Oc2nccc3ccsc23)ccc1-c1cccc2nccn12 | 10.1021/acs.jmedchem.9b00351 | |||
CHEMBL4466483 | 171788 | None | 0 | Human | Functional | pEC50 | = | 8.7 | 8.7 | - | 1 | ChEMBL | 411 | 3 | 0 | 5 | 6.4 | FC(F)(F)c1cc(Oc2nccc3ccsc23)ccc1-c1cccc2nccn12 | 10.1021/acs.jmedchem.9b00351 | |||
130442572 | 172011 | None | 0 | Human | Functional | pEC50 | = | 8.6 | 8.6 | - | 1 | ChEMBL | 395 | 3 | 0 | 5 | 6.0 | FC(F)(F)c1cc(Oc2nccc3occc23)ccc1-c1cccc2nccn12 | 10.1021/acs.jmedchem.9b00351 | |||
CHEMBL4469848 | 172011 | None | 0 | Human | Functional | pEC50 | = | 8.6 | 8.6 | - | 1 | ChEMBL | 395 | 3 | 0 | 5 | 6.0 | FC(F)(F)c1cc(Oc2nccc3occc23)ccc1-c1cccc2nccn12 | 10.1021/acs.jmedchem.9b00351 | |||
130442572 | 172011 | None | 0 | Human | Functional | pEC50 | = | 8.6 | 8.6 | - | 1 | ChEMBL | 395 | 3 | 0 | 5 | 6.0 | FC(F)(F)c1cc(Oc2nccc3occc23)ccc1-c1cccc2nccn12 | 10.1021/acs.jmedchem.9b00351 | |||
CHEMBL4469848 | 172011 | None | 0 | Human | Functional | pEC50 | = | 8.6 | 8.6 | - | 1 | ChEMBL | 395 | 3 | 0 | 5 | 6.0 | FC(F)(F)c1cc(Oc2nccc3occc23)ccc1-c1cccc2nccn12 | 10.1021/acs.jmedchem.9b00351 | |||
10506 | 2524 | None | 24 | Human | Functional | pEC50 | = | 8.6 | 8.6 | 20 | 3 | ChEMBL | 449 | 6 | 2 | 3 | 4.7 | OC[C@H]1Cc2c(cccc2[C@@H](N1C(=O)Cc1c(Cl)cccc1Cl)C)CCC(O)(C)C | 10.1021/acs.jmedchem.9b01234 | |||
86290953 | 2524 | None | 24 | Human | Functional | pEC50 | = | 8.6 | 8.6 | 20 | 3 | ChEMBL | 449 | 6 | 2 | 3 | 4.7 | OC[C@H]1Cc2c(cccc2[C@@H](N1C(=O)Cc1c(Cl)cccc1Cl)C)CCC(O)(C)C | 10.1021/acs.jmedchem.9b01234 | |||
86290953.0 | 2524 | None | 24 | Human | Functional | pEC50 | = | 8.6 | 8.6 | 20 | 3 | ChEMBL | 449 | 6 | 2 | 3 | 4.7 | OC[C@H]1Cc2c(cccc2[C@@H](N1C(=O)Cc1c(Cl)cccc1Cl)C)CCC(O)(C)C | 10.1021/acs.jmedchem.9b01234 | |||
CHEMBL3421729 | 2524 | None | 24 | Human | Functional | pEC50 | = | 8.6 | 8.6 | 20 | 3 | ChEMBL | 449 | 6 | 2 | 3 | 4.7 | OC[C@H]1Cc2c(cccc2[C@@H](N1C(=O)Cc1c(Cl)cccc1Cl)C)CCC(O)(C)C | 10.1021/acs.jmedchem.9b01234 | |||
681 | 1465 | None | 47 | Human | Functional | pEC50 | = | 8.6 | 8.6 | -54 | 15 | ChEMBL | 153 | 2 | 3 | 3 | 0.6 | NCCc1ccc(c(c1)O)O | 10.1021/acs.jmedchem.3c00976 | |||
681.0 | 1465 | None | 47 | Human | Functional | pEC50 | = | 8.6 | 8.6 | -54 | 15 | ChEMBL | 153 | 2 | 3 | 3 | 0.6 | NCCc1ccc(c(c1)O)O | 10.1021/acs.jmedchem.3c00976 | |||
940 | 1465 | None | 47 | Human | Functional | pEC50 | = | 8.6 | 8.6 | -54 | 15 | ChEMBL | 153 | 2 | 3 | 3 | 0.6 | NCCc1ccc(c(c1)O)O | 10.1021/acs.jmedchem.3c00976 | |||
947 | 1465 | None | 47 | Human | Functional | pEC50 | = | 8.6 | 8.6 | -54 | 15 | ChEMBL | 153 | 2 | 3 | 3 | 0.6 | NCCc1ccc(c(c1)O)O | 10.1021/acs.jmedchem.3c00976 | |||
CHEMBL59 | 1465 | None | 47 | Human | Functional | pEC50 | = | 8.6 | 8.6 | -54 | 15 | ChEMBL | 153 | 2 | 3 | 3 | 0.6 | NCCc1ccc(c(c1)O)O | 10.1021/acs.jmedchem.3c00976 | |||
DB00988 | 1465 | None | 47 | Human | Functional | pEC50 | = | 8.6 | 8.6 | -54 | 15 | ChEMBL | 153 | 2 | 3 | 3 | 0.6 | NCCc1ccc(c(c1)O)O | 10.1021/acs.jmedchem.3c00976 | |||
130442473 | 167433 | None | 0 | Human | Functional | pEC50 | = | 8.6 | 8.6 | - | 1 | ChEMBL | 341 | 3 | 0 | 5 | 5.2 | Cc1cc(Oc2nccc3occc23)ccc1-c1cccc2nccn12 | 10.1021/acs.jmedchem.9b00351 | |||
CHEMBL4294397 | 167433 | None | 0 | Human | Functional | pEC50 | = | 8.6 | 8.6 | - | 1 | ChEMBL | 341 | 3 | 0 | 5 | 5.2 | Cc1cc(Oc2nccc3occc23)ccc1-c1cccc2nccn12 | 10.1021/acs.jmedchem.9b00351 | |||
130442473 | 167433 | None | 0 | Human | Functional | pEC50 | = | 8.6 | 8.6 | - | 1 | ChEMBL | 341 | 3 | 0 | 5 | 5.2 | Cc1cc(Oc2nccc3occc23)ccc1-c1cccc2nccn12 | 10.1021/acs.jmedchem.9b00351 | |||
CHEMBL4294397 | 167433 | None | 0 | Human | Functional | pEC50 | = | 8.6 | 8.6 | - | 1 | ChEMBL | 341 | 3 | 0 | 5 | 5.2 | Cc1cc(Oc2nccc3occc23)ccc1-c1cccc2nccn12 | 10.1021/acs.jmedchem.9b00351 | |||
1153 | 1628 | None | 36 | Human | Functional | pEC50 | = | 8.6 | 8.6 | 6 | 12 | ChEMBL | 305 | 1 | 4 | 4 | 2.7 | Oc1ccc(cc1)C1CNCCc2c1cc(O)c(c2Cl)O | 10.1021/acs.jmedchem.8b00435 | |||
12668023 | 1628 | None | 36 | Human | Functional | pEC50 | = | 8.6 | 8.6 | 6 | 12 | ChEMBL | 305 | 1 | 4 | 4 | 2.7 | Oc1ccc(cc1)C1CNCCc2c1cc(O)c(c2Cl)O | 10.1021/acs.jmedchem.8b00435 | |||
30026874 | 1628 | None | 36 | Human | Functional | pEC50 | = | 8.6 | 8.6 | 6 | 12 | ChEMBL | 305 | 1 | 4 | 4 | 2.7 | Oc1ccc(cc1)C1CNCCc2c1cc(O)c(c2Cl)O | 10.1021/acs.jmedchem.8b00435 | |||
30026875 | 1628 | None | 36 | Human | Functional | pEC50 | = | 8.6 | 8.6 | 6 | 12 | ChEMBL | 305 | 1 | 4 | 4 | 2.7 | Oc1ccc(cc1)C1CNCCc2c1cc(O)c(c2Cl)O | 10.1021/acs.jmedchem.8b00435 | |||
3341 | 1628 | None | 36 | Human | Functional | pEC50 | = | 8.6 | 8.6 | 6 | 12 | ChEMBL | 305 | 1 | 4 | 4 | 2.7 | Oc1ccc(cc1)C1CNCCc2c1cc(O)c(c2Cl)O | 10.1021/acs.jmedchem.8b00435 | |||
3341.0 | 1628 | None | 36 | Human | Functional | pEC50 | = | 8.6 | 8.6 | 6 | 12 | ChEMBL | 305 | 1 | 4 | 4 | 2.7 | Oc1ccc(cc1)C1CNCCc2c1cc(O)c(c2Cl)O | 10.1021/acs.jmedchem.8b00435 | |||
6603851 | 1628 | None | 36 | Human | Functional | pEC50 | = | 8.6 | 8.6 | 6 | 12 | ChEMBL | 305 | 1 | 4 | 4 | 2.7 | Oc1ccc(cc1)C1CNCCc2c1cc(O)c(c2Cl)O | 10.1021/acs.jmedchem.8b00435 | |||
933 | 1628 | None | 36 | Human | Functional | pEC50 | = | 8.6 | 8.6 | 6 | 12 | ChEMBL | 305 | 1 | 4 | 4 | 2.7 | Oc1ccc(cc1)C1CNCCc2c1cc(O)c(c2Cl)O | 10.1021/acs.jmedchem.8b00435 | |||
939 | 1628 | None | 36 | Human | Functional | pEC50 | = | 8.6 | 8.6 | 6 | 12 | ChEMBL | 305 | 1 | 4 | 4 | 2.7 | Oc1ccc(cc1)C1CNCCc2c1cc(O)c(c2Cl)O | 10.1021/acs.jmedchem.8b00435 | |||
985 | 1628 | None | 36 | Human | Functional | pEC50 | = | 8.6 | 8.6 | 6 | 12 | ChEMBL | 305 | 1 | 4 | 4 | 2.7 | Oc1ccc(cc1)C1CNCCc2c1cc(O)c(c2Cl)O | 10.1021/acs.jmedchem.8b00435 | |||
CHEMBL1160786 | 1628 | None | 36 | Human | Functional | pEC50 | = | 8.6 | 8.6 | 6 | 12 | ChEMBL | 305 | 1 | 4 | 4 | 2.7 | Oc1ccc(cc1)C1CNCCc2c1cc(O)c(c2Cl)O | 10.1021/acs.jmedchem.8b00435 | |||
CHEMBL1161520 | 1628 | None | 36 | Human | Functional | pEC50 | = | 8.6 | 8.6 | 6 | 12 | ChEMBL | 305 | 1 | 4 | 4 | 2.7 | Oc1ccc(cc1)C1CNCCc2c1cc(O)c(c2Cl)O | 10.1021/acs.jmedchem.8b00435 | |||
CHEMBL588 | 1628 | None | 36 | Human | Functional | pEC50 | = | 8.6 | 8.6 | 6 | 12 | ChEMBL | 305 | 1 | 4 | 4 | 2.7 | Oc1ccc(cc1)C1CNCCc2c1cc(O)c(c2Cl)O | 10.1021/acs.jmedchem.8b00435 | |||
DB00800 | 1628 | None | 36 | Human | Functional | pEC50 | = | 8.6 | 8.6 | 6 | 12 | ChEMBL | 305 | 1 | 4 | 4 | 2.7 | Oc1ccc(cc1)C1CNCCc2c1cc(O)c(c2Cl)O | 10.1021/acs.jmedchem.8b00435 | |||
681 | 1465 | None | 47 | Human | Functional | pEC50 | = | 7.7 | 7.7 | -54 | 15 | ChEMBL | 153 | 2 | 3 | 3 | 0.6 | NCCc1ccc(c(c1)O)O | 10.1016/j.bmc.2010.07.052 | |||
681.0 | 1465 | None | 47 | Human | Functional | pEC50 | = | 7.7 | 7.7 | -54 | 15 | ChEMBL | 153 | 2 | 3 | 3 | 0.6 | NCCc1ccc(c(c1)O)O | 10.1016/j.bmc.2010.07.052 | |||
940 | 1465 | None | 47 | Human | Functional | pEC50 | = | 7.7 | 7.7 | -54 | 15 | ChEMBL | 153 | 2 | 3 | 3 | 0.6 | NCCc1ccc(c(c1)O)O | 10.1016/j.bmc.2010.07.052 | |||
947 | 1465 | None | 47 | Human | Functional | pEC50 | = | 7.7 | 7.7 | -54 | 15 | ChEMBL | 153 | 2 | 3 | 3 | 0.6 | NCCc1ccc(c(c1)O)O | 10.1016/j.bmc.2010.07.052 | |||
CHEMBL59 | 1465 | None | 47 | Human | Functional | pEC50 | = | 7.7 | 7.7 | -54 | 15 | ChEMBL | 153 | 2 | 3 | 3 | 0.6 | NCCc1ccc(c(c1)O)O | 10.1016/j.bmc.2010.07.052 | |||
DB00988 | 1465 | None | 47 | Human | Functional | pEC50 | = | 7.7 | 7.7 | -54 | 15 | ChEMBL | 153 | 2 | 3 | 3 | 0.6 | NCCc1ccc(c(c1)O)O | 10.1016/j.bmc.2010.07.052 | |||
75201899 | 172019 | None | 0 | Human | Functional | pEC50 | = | 7.7 | 7.7 | - | 1 | ChEMBL | 351 | 3 | 1 | 5 | 4.1 | Cc1n[nH]c(=O)c(C)c1-c1ccc(Oc2nccc3occc23)cc1F | 10.1016/j.ejmech.2022.114378 | |||
CHEMBL4469983 | 172019 | None | 0 | Human | Functional | pEC50 | = | 7.7 | 7.7 | - | 1 | ChEMBL | 351 | 3 | 1 | 5 | 4.1 | Cc1n[nH]c(=O)c(C)c1-c1ccc(Oc2nccc3occc23)cc1F | 10.1016/j.ejmech.2022.114378 | |||
201536 | 111531 | None | 2 | Human | Functional | pEC50 | = | 7.7 | 7.7 | 1 | 2 | ChEMBL | 351 | 2 | 0 | 5 | 3.3 | CC(=O)Oc1ccc2c(c1OC(C)=O)-c1cccc3c1[C@@H](C2)N(C)CC3 | 10.1021/acsmedchemlett.9b00575 | |||
CHEMBL3276140 | 111531 | None | 2 | Human | Functional | pEC50 | = | 7.7 | 7.7 | 1 | 2 | ChEMBL | 351 | 2 | 0 | 5 | 3.3 | CC(=O)Oc1ccc2c(c1OC(C)=O)-c1cccc3c1[C@@H](C2)N(C)CC3 | 10.1021/acsmedchemlett.9b00575 | |||
201536 | 111531 | None | 2 | Human | Functional | pEC50 | = | 7.7 | 7.7 | 1 | 2 | ChEMBL | 351 | 2 | 0 | 5 | 3.3 | CC(=O)Oc1ccc2c(c1OC(C)=O)-c1cccc3c1[C@@H](C2)N(C)CC3 | 10.1021/acsmedchemlett.9b00575 | |||
CHEMBL3276140 | 111531 | None | 2 | Human | Functional | pEC50 | = | 7.7 | 7.7 | 1 | 2 | ChEMBL | 351 | 2 | 0 | 5 | 3.3 | CC(=O)Oc1ccc2c(c1OC(C)=O)-c1cccc3c1[C@@H](C2)N(C)CC3 | 10.1021/acsmedchemlett.9b00575 | |||
133741 | 201522 | None | 5 | Rat | Functional | pEC50 | = | 4.7 | 4.7 | -38 | 2 | ChEMBL | 276 | 7 | 2 | 3 | 2.6 | CCCN(CCC)CCc1ccc(O)c2c1CC(=O)N2 | 10.1021/jm00390a009 | |||
CHEMBL587 | 201522 | None | 5 | Rat | Functional | pEC50 | = | 4.7 | 4.7 | -38 | 2 | ChEMBL | 276 | 7 | 2 | 3 | 2.6 | CCCN(CCC)CCc1ccc(O)c2c1CC(=O)N2 | 10.1021/jm00390a009 | |||
90134211 | 174133 | None | 2 | Human | Functional | pEC50 | = | 7.7 | 7.7 | - | 1 | ChEMBL | 332 | 3 | 1 | 6 | 4.3 | Cc1cc(Oc2nccc3occc23)ccc1-c1nc(N)cnc1C | 10.1021/acs.jmedchem.9b00351 | |||
CHEMBL4543306 | 174133 | None | 2 | Human | Functional | pEC50 | = | 7.7 | 7.7 | - | 1 | ChEMBL | 332 | 3 | 1 | 6 | 4.3 | Cc1cc(Oc2nccc3occc23)ccc1-c1nc(N)cnc1C | 10.1021/acs.jmedchem.9b00351 | |||
71722293 | 102530 | None | 0 | Human | Functional | pEC50 | = | 7.7 | 7.7 | -4 | 2 | ChEMBL | 281 | 0 | 2 | 3 | 3.2 | Cc1ccc2c3c1-c1c(ccc(O)c1O)C[C@H]3N(C)CC2 | 10.1016/j.bmc.2013.05.014 | |||
CHEMBL2397380 | 102530 | None | 0 | Human | Functional | pEC50 | = | 7.7 | 7.7 | -4 | 2 | ChEMBL | 281 | 0 | 2 | 3 | 3.2 | Cc1ccc2c3c1-c1c(ccc(O)c1O)C[C@H]3N(C)CC2 | 10.1016/j.bmc.2013.05.014 | |||
CHEMBL3040164 | 102530 | None | 0 | Human | Functional | pEC50 | = | 7.7 | 7.7 | -4 | 2 | ChEMBL | 281 | 0 | 2 | 3 | 3.2 | Cc1ccc2c3c1-c1c(ccc(O)c1O)C[C@H]3N(C)CC2 | 10.1016/j.bmc.2013.05.014 | |||
44554984 | 104318 | None | 0 | Human | Functional | pEC50 | = | 6.7 | 6.7 | -208 | 2 | ChEMBL | 327 | 4 | 1 | 5 | 2.2 | CCCN1C[C@@H](Cn2cccn2)O[C@@H]2Cc3c(O)cccc3C[C@H]21 | 10.1016/j.bmc.2013.11.012 | |||
CHEMBL3099231 | 104318 | None | 0 | Human | Functional | pEC50 | = | 6.7 | 6.7 | -208 | 2 | ChEMBL | 327 | 4 | 1 | 5 | 2.2 | CCCN1C[C@@H](Cn2cccn2)O[C@@H]2Cc3c(O)cccc3C[C@H]21 | 10.1016/j.bmc.2013.11.012 | |||
155541775 | 173147 | None | 0 | Human | Functional | pEC50 | = | 6.7 | 6.7 | 1 | 2 | ChEMBL | 502 | 4 | 0 | 4 | 5.5 | Clc1ccc(Br)c(CN2CCN([C@@H]3CC[C@@]4(c5ccc6c(c5)OCO6)C[C@H]4C3)CC2)c1 | 10.1021/acs.jmedchem.8b01767 | |||
CHEMBL4519136 | 173147 | None | 0 | Human | Functional | pEC50 | = | 6.7 | 6.7 | 1 | 2 | ChEMBL | 502 | 4 | 0 | 4 | 5.5 | Clc1ccc(Br)c(CN2CCN([C@@H]3CC[C@@]4(c5ccc6c(c5)OCO6)C[C@H]4C3)CC2)c1 | 10.1021/acs.jmedchem.8b01767 | |||
137364059 | 190429 | None | 0 | Human | Functional | pEC50 | = | 4.7 | 4.7 | - | 1 | ChEMBL | 264 | 4 | 0 | 2 | 3.4 | C[S+]([O-])c1ccc(-c2ccccc2OCF)cc1 | 10.1021/acs.jmedchem.2c00949 | |||
CHEMBL5176312 | 190429 | None | 0 | Human | Functional | pEC50 | = | 4.7 | 4.7 | - | 1 | ChEMBL | 264 | 4 | 0 | 2 | 3.4 | C[S+]([O-])c1ccc(-c2ccccc2OCF)cc1 | 10.1021/acs.jmedchem.2c00949 | |||
168289194 | 191603 | None | 0 | Human | Functional | pEC50 | = | 4.7 | 4.7 | - | 1 | ChEMBL | 264 | 4 | 0 | 2 | 4.5 | O=Cc1ccc(-c2ccccc2SC(F)F)cc1 | 10.1021/acs.jmedchem.2c00949 | |||
CHEMBL5193714 | 191603 | None | 0 | Human | Functional | pEC50 | = | 4.7 | 4.7 | - | 1 | ChEMBL | 264 | 4 | 0 | 2 | 4.5 | O=Cc1ccc(-c2ccccc2SC(F)F)cc1 | 10.1021/acs.jmedchem.2c00949 | |||
10662054 | 84446 | None | 0 | Goldfish | Functional | pEC50 | = | 7.7 | 7.7 | - | 1 | ChEMBL | 301 | 1 | 3 | 4 | 3.3 | CCc1cc2c(s1)CN[C@@H]1CCc3cc(O)c(O)cc3[C@@H]21 | 10.1021/jm970038v | |||
CHEMBL2114444 | 84446 | None | 0 | Goldfish | Functional | pEC50 | = | 7.7 | 7.7 | - | 1 | ChEMBL | 301 | 1 | 3 | 4 | 3.3 | CCc1cc2c(s1)CN[C@@H]1CCc3cc(O)c(O)cc3[C@@H]21 | 10.1021/jm970038v | |||
CHEMBL2219803 | 84446 | None | 0 | Goldfish | Functional | pEC50 | = | 7.7 | 7.7 | - | 1 | ChEMBL | 301 | 1 | 3 | 4 | 3.3 | CCc1cc2c(s1)CN[C@@H]1CCc3cc(O)c(O)cc3[C@@H]21 | 10.1021/jm970038v | |||
90134211 | 174133 | None | 2 | Human | Functional | pEC50 | = | 7.7 | 7.7 | - | 1 | ChEMBL | 332 | 3 | 1 | 6 | 4.3 | Cc1cc(Oc2nccc3occc23)ccc1-c1nc(N)cnc1C | 10.1021/acs.jmedchem.9b00351 | |||
CHEMBL4543306 | 174133 | None | 2 | Human | Functional | pEC50 | = | 7.7 | 7.7 | - | 1 | ChEMBL | 332 | 3 | 1 | 6 | 4.3 | Cc1cc(Oc2nccc3occc23)ccc1-c1nc(N)cnc1C | 10.1021/acs.jmedchem.9b00351 | |||
155519631 | 170508 | None | 0 | Human | Functional | pEC50 | = | 7.7 | 7.7 | 15 | 2 | ChEMBL | 421 | 2 | 1 | 1 | 6.9 | Cc1cccc(Cl)c1NC(=O)C1(C)CC2c3ccccc3C1c1cc(Cl)ccc12 | 10.1021/acs.jmedchem.8b01767 | |||
CHEMBL4448100 | 170508 | None | 0 | Human | Functional | pEC50 | = | 7.7 | 7.7 | 15 | 2 | ChEMBL | 421 | 2 | 1 | 1 | 6.9 | Cc1cccc(Cl)c1NC(=O)C1(C)CC2c3ccccc3C1c1cc(Cl)ccc12 | 10.1021/acs.jmedchem.8b01767 | |||
145979741 | 166780 | None | 3 | Human | Functional | pEC50 | = | 5.6 | 5.6 | - | 1 | ChEMBL | 291 | 3 | 0 | 5 | 4.0 | Cn1nccc1-c1ccc(Oc2nccc3occc23)cc1 | 10.1021/acs.jmedchem.8b01622 | |||
CHEMBL4282096 | 166780 | None | 3 | Human | Functional | pEC50 | = | 5.6 | 5.6 | - | 1 | ChEMBL | 291 | 3 | 0 | 5 | 4.0 | Cn1nccc1-c1ccc(Oc2nccc3occc23)cc1 | 10.1021/acs.jmedchem.8b01622 | |||
6917970 | 3691 | None | 40 | Human | Functional | pEC50 | = | 7.6 | 7.6 | 40 | 3 | ChEMBL | 327 | 2 | 2 | 5 | 2.8 | COc1cc2CCN3[C@H](c2cc1O)Cc1c(C3)c(OC)c(cc1)O | 10.1016/j.bmc.2014.09.024 | |||
8370 | 3691 | None | 40 | Human | Functional | pEC50 | = | 7.6 | 7.6 | 40 | 3 | ChEMBL | 327 | 2 | 2 | 5 | 2.8 | COc1cc2CCN3[C@H](c2cc1O)Cc1c(C3)c(OC)c(cc1)O | 10.1016/j.bmc.2014.09.024 | |||
CHEMBL487387 | 3691 | None | 40 | Human | Functional | pEC50 | = | 7.6 | 7.6 | 40 | 3 | ChEMBL | 327 | 2 | 2 | 5 | 2.8 | COc1cc2CCN3[C@H](c2cc1O)Cc1c(C3)c(OC)c(cc1)O | 10.1016/j.bmc.2014.09.024 | |||
44276412 | 97718 | None | 0 | Human | Functional | pEC50 | = | 7.6 | 7.6 | - | 1 | ChEMBL | 282 | 0 | 3 | 4 | 2.4 | Cc1ccc2c(n1)CN[C@@H]1CCc3cc(O)c(O)cc3[C@@H]21 | 10.1016/s0960-894x(99)00214-0 | |||
CHEMBL27117 | 97718 | None | 0 | Human | Functional | pEC50 | = | 7.6 | 7.6 | - | 1 | ChEMBL | 282 | 0 | 3 | 4 | 2.4 | Cc1ccc2c(n1)CN[C@@H]1CCc3cc(O)c(O)cc3[C@@H]21 | 10.1016/s0960-894x(99)00214-0 | |||
44320116 | 164203 | None | 0 | Rat | Functional | pEC50 | = | 7.6 | 7.6 | -1 | 3 | ChEMBL | 279 | 6 | 3 | 4 | 3.0 | CCCCCCC1Cc2c(ccc(O)c2O)[C@H](CN)O1 | 10.1021/jm00112a034 | |||
CHEMBL420972 | 164203 | None | 0 | Rat | Functional | pEC50 | = | 7.6 | 7.6 | -1 | 3 | ChEMBL | 279 | 6 | 3 | 4 | 3.0 | CCCCCCC1Cc2c(ccc(O)c2O)[C@H](CN)O1 | 10.1021/jm00112a034 | |||
44554649 | 104322 | None | 0 | Human | Functional | pEC50 | = | 6.6 | 6.6 | -457 | 2 | ChEMBL | 328 | 4 | 1 | 6 | 1.6 | CCCN1C[C@@H](Cn2cncn2)O[C@@H]2Cc3c(O)cccc3C[C@H]21 | 10.1016/j.bmc.2013.11.012 | |||
CHEMBL3099235 | 104322 | None | 0 | Human | Functional | pEC50 | = | 6.6 | 6.6 | -457 | 2 | ChEMBL | 328 | 4 | 1 | 6 | 1.6 | CCCN1C[C@@H](Cn2cncn2)O[C@@H]2Cc3c(O)cccc3C[C@H]21 | 10.1016/j.bmc.2013.11.012 | |||
44276557 | 99370 | None | 0 | Human | Functional | pEC50 | = | 6.6 | 6.6 | - | 1 | ChEMBL | 282 | 0 | 3 | 4 | 2.4 | Cc1cncc2c1CN[C@@H]1CCc3cc(O)c(O)cc3[C@@H]21 | 10.1016/s0960-894x(99)00214-0 | |||
CHEMBL282136 | 99370 | None | 0 | Human | Functional | pEC50 | = | 6.6 | 6.6 | - | 1 | ChEMBL | 282 | 0 | 3 | 4 | 2.4 | Cc1cncc2c1CN[C@@H]1CCc3cc(O)c(O)cc3[C@@H]21 | 10.1016/s0960-894x(99)00214-0 | |||
21936384 | 191621 | None | 0 | Human | Functional | pEC50 | = | 5.6 | 5.6 | - | 1 | ChEMBL | 248 | 4 | 0 | 2 | 3.8 | O=Cc1ccc(-c2ccc(OC(F)F)cc2)cc1 | 10.1021/acs.jmedchem.2c00949 | |||
CHEMBL5193924 | 191621 | None | 0 | Human | Functional | pEC50 | = | 5.6 | 5.6 | - | 1 | ChEMBL | 248 | 4 | 0 | 2 | 3.8 | O=Cc1ccc(-c2ccc(OC(F)F)cc2)cc1 | 10.1021/acs.jmedchem.2c00949 | |||
681 | 1465 | None | 47 | Human | Functional | pEC50 | = | 6.6 | 6.6 | -54 | 15 | ChEMBL | 153 | 2 | 3 | 3 | 0.6 | NCCc1ccc(c(c1)O)O | 10.1021/acs.jmedchem.8b01622 | |||
681.0 | 1465 | None | 47 | Human | Functional | pEC50 | = | 6.6 | 6.6 | -54 | 15 | ChEMBL | 153 | 2 | 3 | 3 | 0.6 | NCCc1ccc(c(c1)O)O | 10.1021/acs.jmedchem.8b01622 | |||
940 | 1465 | None | 47 | Human | Functional | pEC50 | = | 6.6 | 6.6 | -54 | 15 | ChEMBL | 153 | 2 | 3 | 3 | 0.6 | NCCc1ccc(c(c1)O)O | 10.1021/acs.jmedchem.8b01622 | |||
947 | 1465 | None | 47 | Human | Functional | pEC50 | = | 6.6 | 6.6 | -54 | 15 | ChEMBL | 153 | 2 | 3 | 3 | 0.6 | NCCc1ccc(c(c1)O)O | 10.1021/acs.jmedchem.8b01622 | |||
CHEMBL59 | 1465 | None | 47 | Human | Functional | pEC50 | = | 6.6 | 6.6 | -54 | 15 | ChEMBL | 153 | 2 | 3 | 3 | 0.6 | NCCc1ccc(c(c1)O)O | 10.1021/acs.jmedchem.8b01622 | |||
DB00988 | 1465 | None | 47 | Human | Functional | pEC50 | = | 6.6 | 6.6 | -54 | 15 | ChEMBL | 153 | 2 | 3 | 3 | 0.6 | NCCc1ccc(c(c1)O)O | 10.1021/acs.jmedchem.8b01622 | |||
15696482 | 79590 | None | 0 | Human | Functional | pEC50 | = | 6.6 | 6.6 | 21 | 2 | ChEMBL | 223 | 2 | 3 | 4 | 1.4 | CC[C@H]1Cc2c(ccc(O)c2O)[C@H](CN)O1 | 10.1021/jm00112a034 | |||
CHEMBL2114209 | 79590 | None | 0 | Human | Functional | pEC50 | = | 6.6 | 6.6 | 21 | 2 | ChEMBL | 223 | 2 | 3 | 4 | 1.4 | CC[C@H]1Cc2c(ccc(O)c2O)[C@H](CN)O1 | 10.1021/jm00112a034 | |||
85090326 | 182879 | None | 0 | Human | Functional | pEC50 | = | 6.6 | 6.6 | -6 | 2 | ChEMBL | 423 | 4 | 0 | 6 | 4.1 | COc1ccc(-n2c(CC(C)C)nc3c(c(=O)c4ccccc4n3C)c2=O)cc1Cl | 10.1016/j.bmcl.2020.127696 | |||
CHEMBL4790277 | 182879 | None | 0 | Human | Functional | pEC50 | = | 6.6 | 6.6 | -6 | 2 | ChEMBL | 423 | 4 | 0 | 6 | 4.1 | COc1ccc(-n2c(CC(C)C)nc3c(c(=O)c4ccccc4n3C)c2=O)cc1Cl | 10.1016/j.bmcl.2020.127696 | |||
44320218 | 208882 | None | 0 | Human | Functional | pEC50 | = | 6.6 | 6.6 | - | 1 | ChEMBL | 315 | 4 | 3 | 5 | 2.3 | COc1ccc(CC2Cc3c(ccc(O)c3O)[C@H](CN)O2)cc1 | 10.1021/jm00112a034 | |||
CHEMBL87897 | 208882 | None | 0 | Human | Functional | pEC50 | = | 6.6 | 6.6 | - | 1 | ChEMBL | 315 | 4 | 3 | 5 | 2.3 | COc1ccc(CC2Cc3c(ccc(O)c3O)[C@H](CN)O2)cc1 | 10.1021/jm00112a034 | |||
146025811 | 171864 | None | 0 | Human | Functional | pEC50 | = | 6.6 | 6.6 | -416 | 2 | ChEMBL | 373 | 2 | 0 | 3 | 4.2 | COc1ccc2c(c1OC)-c1c(Br)ccc3c1[C@@H](C2)N(C)CC3 | 10.1021/acsmedchemlett.9b00575 | |||
CHEMBL4467483 | 171864 | None | 0 | Human | Functional | pEC50 | = | 6.6 | 6.6 | -416 | 2 | ChEMBL | 373 | 2 | 0 | 3 | 4.2 | COc1ccc2c(c1OC)-c1c(Br)ccc3c1[C@@H](C2)N(C)CC3 | 10.1021/acsmedchemlett.9b00575 | |||
146025811 | 171864 | None | 0 | Human | Functional | pEC50 | = | 6.6 | 6.6 | -416 | 2 | ChEMBL | 373 | 2 | 0 | 3 | 4.2 | COc1ccc2c(c1OC)-c1c(Br)ccc3c1[C@@H](C2)N(C)CC3 | 10.1021/acsmedchemlett.9b00575 | |||
CHEMBL4467483 | 171864 | None | 0 | Human | Functional | pEC50 | = | 6.6 | 6.6 | -416 | 2 | ChEMBL | 373 | 2 | 0 | 3 | 4.2 | COc1ccc2c(c1OC)-c1c(Br)ccc3c1[C@@H](C2)N(C)CC3 | 10.1021/acsmedchemlett.9b00575 | |||
10640108 | 84445 | None | 0 | Goldfish | Functional | pEC50 | = | 7.6 | 7.6 | - | 1 | ChEMBL | 329 | 0 | 3 | 4 | 4.0 | CC(C)(C)c1cc2c(s1)CN[C@@H]1CCc3cc(O)c(O)cc3[C@@H]21 | 10.1021/jm970038v | |||
CHEMBL2114441 | 84445 | None | 0 | Goldfish | Functional | pEC50 | = | 7.6 | 7.6 | - | 1 | ChEMBL | 329 | 0 | 3 | 4 | 4.0 | CC(C)(C)c1cc2c(s1)CN[C@@H]1CCc3cc(O)c(O)cc3[C@@H]21 | 10.1021/jm970038v | |||
CHEMBL2219802 | 84445 | None | 0 | Goldfish | Functional | pEC50 | = | 7.6 | 7.6 | - | 1 | ChEMBL | 329 | 0 | 3 | 4 | 4.0 | CC(C)(C)c1cc2c(s1)CN[C@@H]1CCc3cc(O)c(O)cc3[C@@H]21 | 10.1021/jm970038v | |||
9841398 | 99573 | None | 4 | Goldfish | Functional | pEC50 | = | 7.6 | 7.6 | -2 | 3 | ChEMBL | 315 | 2 | 3 | 4 | 3.7 | CCCc1cc2c(s1)CN[C@@H]1CCc3cc(O)c(O)cc3[C@@H]21 | 10.1021/jm970038v | |||
CHEMBL28338 | 99573 | None | 4 | Goldfish | Functional | pEC50 | = | 7.6 | 7.6 | -2 | 3 | ChEMBL | 315 | 2 | 3 | 4 | 3.7 | CCCc1cc2c(s1)CN[C@@H]1CCc3cc(O)c(O)cc3[C@@H]21 | 10.1021/jm970038v | |||
44320267 | 208670 | None | 0 | Human | Functional | pEC50 | = | 7.6 | 7.6 | 1 | 2 | ChEMBL | 301 | 4 | 3 | 5 | 2.1 | NC[C@@H]1OC(COc2ccccc2)Cc2c1ccc(O)c2O | 10.1021/jm00112a034 | |||
CHEMBL86576 | 208670 | None | 0 | Human | Functional | pEC50 | = | 7.6 | 7.6 | 1 | 2 | ChEMBL | 301 | 4 | 3 | 5 | 2.1 | NC[C@@H]1OC(COc2ccccc2)Cc2c1ccc(O)c2O | 10.1021/jm00112a034 | |||
10588327 | 13786 | None | 0 | Goldfish | Functional | pEC50 | = | 6.6 | 6.6 | - | 1 | ChEMBL | 273 | 0 | 3 | 4 | 2.7 | Oc1cc2c(cc1O)[C@H]1c3cscc3CN[C@@H]1CC2 | 10.1021/jm970038v | |||
CHEMBL1195441 | 13786 | None | 0 | Goldfish | Functional | pEC50 | = | 6.6 | 6.6 | - | 1 | ChEMBL | 273 | 0 | 3 | 4 | 2.7 | Oc1cc2c(cc1O)[C@H]1c3cscc3CN[C@@H]1CC2 | 10.1021/jm970038v | |||
CHEMBL554571 | 13786 | None | 0 | Goldfish | Functional | pEC50 | = | 6.6 | 6.6 | - | 1 | ChEMBL | 273 | 0 | 3 | 4 | 2.7 | Oc1cc2c(cc1O)[C@H]1c3cscc3CN[C@@H]1CC2 | 10.1021/jm970038v | |||
145990190 | 166949 | None | 0 | Human | Functional | pEC50 | = | 5.6 | 5.6 | - | 1 | ChEMBL | 333 | 3 | 0 | 5 | 5.2 | CC(C)(C)n1nccc1-c1ccc(Oc2nccc3occc23)cc1 | 10.1021/acs.jmedchem.8b01622 | |||
CHEMBL4285528 | 166949 | None | 0 | Human | Functional | pEC50 | = | 5.6 | 5.6 | - | 1 | ChEMBL | 333 | 3 | 0 | 5 | 5.2 | CC(C)(C)n1nccc1-c1ccc(Oc2nccc3occc23)cc1 | 10.1021/acs.jmedchem.8b01622 | |||
85090337 | 183387 | None | 0 | Human | Functional | pEC50 | = | 6.6 | 6.6 | -6 | 2 | ChEMBL | 433 | 3 | 0 | 5 | 5.0 | Cn1c2ccccc2c(=O)c2c(=O)n(-c3cccc(Cl)c3)c(CC3CCCCC3)nc21 | 10.1016/j.bmcl.2020.127696 | |||
CHEMBL4796761 | 183387 | None | 0 | Human | Functional | pEC50 | = | 6.6 | 6.6 | -6 | 2 | ChEMBL | 433 | 3 | 0 | 5 | 5.0 | Cn1c2ccccc2c(=O)c2c(=O)n(-c3cccc(Cl)c3)c(CC3CCCCC3)nc21 | 10.1016/j.bmcl.2020.127696 | |||
21786101 | 155822 | None | 0 | Human | Functional | pEC50 | = | 7.6 | 7.6 | -38 | 2 | ChEMBL | 261 | 2 | 2 | 3 | 2.7 | CCCN1CCC[C@@H]2Cc3c(ccc(O)c3O)C[C@H]21 | 10.1016/j.bmc.2007.06.036 | |||
CHEMBL405519 | 155822 | None | 0 | Human | Functional | pEC50 | = | 7.6 | 7.6 | -38 | 2 | ChEMBL | 261 | 2 | 2 | 3 | 2.7 | CCCN1CCC[C@@H]2Cc3c(ccc(O)c3O)C[C@H]21 | 10.1016/j.bmc.2007.06.036 | |||
1241 | 100233 | None | 16 | Rat | Functional | pEC50 | = | 7.6 | 7.6 | -22 | 3 | ChEMBL | 295 | 3 | 2 | 3 | 3.3 | C=CCN1CCc2cc(O)c(O)cc2C(c2ccccc2)C1 | 10.1021/jm00384a006 | |||
CHEMBL288090 | 100233 | None | 16 | Rat | Functional | pEC50 | = | 7.6 | 7.6 | -22 | 3 | ChEMBL | 295 | 3 | 2 | 3 | 3.3 | C=CCN1CCc2cc(O)c(O)cc2C(c2ccccc2)C1 | 10.1021/jm00384a006 | |||
CHEMBL552611 | 100233 | None | 16 | Rat | Functional | pEC50 | = | 7.6 | 7.6 | -22 | 3 | ChEMBL | 295 | 3 | 2 | 3 | 3.3 | C=CCN1CCc2cc(O)c(O)cc2C(c2ccccc2)C1 | 10.1021/jm00384a006 | |||
228 | 445 | None | 20 | Human | Functional | pEC50 | = | 7.6 | 7.6 | -14 | 20 | ChEMBL | 267 | 0 | 2 | 3 | 2.9 | CN1CCc2c3[C@H]1Cc1ccc(c(c1c3ccc2)O)O | 10.1016/j.bmc.2013.05.014 | |||
33 | 445 | None | 20 | Human | Functional | pEC50 | = | 7.6 | 7.6 | -14 | 20 | ChEMBL | 267 | 0 | 2 | 3 | 2.9 | CN1CCc2c3[C@H]1Cc1ccc(c(c1c3ccc2)O)O | 10.1016/j.bmc.2013.05.014 | |||
6005 | 445 | None | 20 | Human | Functional | pEC50 | = | 7.6 | 7.6 | -14 | 20 | ChEMBL | 267 | 0 | 2 | 3 | 2.9 | CN1CCc2c3[C@H]1Cc1ccc(c(c1c3ccc2)O)O | 10.1016/j.bmc.2013.05.014 | |||
6005.0 | 445 | None | 20 | Human | Functional | pEC50 | = | 7.6 | 7.6 | -14 | 20 | ChEMBL | 267 | 0 | 2 | 3 | 2.9 | CN1CCc2c3[C@H]1Cc1ccc(c(c1c3ccc2)O)O | 10.1016/j.bmc.2013.05.014 | |||
CHEMBL53 | 445 | None | 20 | Human | Functional | pEC50 | = | 7.6 | 7.6 | -14 | 20 | ChEMBL | 267 | 0 | 2 | 3 | 2.9 | CN1CCc2c3[C@H]1Cc1ccc(c(c1c3ccc2)O)O | 10.1016/j.bmc.2013.05.014 | |||
DB00714 | 445 | None | 20 | Human | Functional | pEC50 | = | 7.6 | 7.6 | -14 | 20 | ChEMBL | 267 | 0 | 2 | 3 | 2.9 | CN1CCc2c3[C@H]1Cc1ccc(c(c1c3ccc2)O)O | 10.1016/j.bmc.2013.05.014 | |||
155541775 | 173147 | None | 0 | Human | Functional | pEC50 | = | 6.6 | 6.6 | 1 | 2 | ChEMBL | 502 | 4 | 0 | 4 | 5.5 | Clc1ccc(Br)c(CN2CCN([C@@H]3CC[C@@]4(c5ccc6c(c5)OCO6)C[C@H]4C3)CC2)c1 | 10.1021/acs.jmedchem.8b01767 | |||
CHEMBL4519136 | 173147 | None | 0 | Human | Functional | pEC50 | = | 6.6 | 6.6 | 1 | 2 | ChEMBL | 502 | 4 | 0 | 4 | 5.5 | Clc1ccc(Br)c(CN2CCN([C@@H]3CC[C@@]4(c5ccc6c(c5)OCO6)C[C@H]4C3)CC2)c1 | 10.1021/acs.jmedchem.8b01767 | |||
145979741 | 166780 | None | 3 | Human | Functional | pEC50 | = | 5.6 | 5.6 | - | 1 | ChEMBL | 291 | 3 | 0 | 5 | 4.0 | Cn1nccc1-c1ccc(Oc2nccc3occc23)cc1 | 10.1021/acs.jmedchem.8b00435 | |||
CHEMBL4282096 | 166780 | None | 3 | Human | Functional | pEC50 | = | 5.6 | 5.6 | - | 1 | ChEMBL | 291 | 3 | 0 | 5 | 4.0 | Cn1nccc1-c1ccc(Oc2nccc3occc23)cc1 | 10.1021/acs.jmedchem.8b00435 | |||
145979741 | 166780 | None | 3 | Human | Functional | pEC50 | = | 5.6 | 5.6 | - | 1 | ChEMBL | 291 | 3 | 0 | 5 | 4.0 | Cn1nccc1-c1ccc(Oc2nccc3occc23)cc1 | 10.1016/j.ejmech.2022.114378 | |||
CHEMBL4282096 | 166780 | None | 3 | Human | Functional | pEC50 | = | 5.6 | 5.6 | - | 1 | ChEMBL | 291 | 3 | 0 | 5 | 4.0 | Cn1nccc1-c1ccc(Oc2nccc3occc23)cc1 | 10.1016/j.ejmech.2022.114378 | |||
4901726 | 180905 | None | 6 | Human | Functional | pEC50 | = | 6.6 | 6.6 | -7 | 2 | ChEMBL | 419 | 2 | 0 | 5 | 4.9 | Cn1c2ccccc2c(=O)c2c(=O)n(-c3cccc(Cl)c3)c(C3CCCCC3)nc21 | 10.1016/j.bmcl.2020.127696 | |||
CHEMBL4756486 | 180905 | None | 6 | Human | Functional | pEC50 | = | 6.6 | 6.6 | -7 | 2 | ChEMBL | 419 | 2 | 0 | 5 | 4.9 | Cn1c2ccccc2c(=O)c2c(=O)n(-c3cccc(Cl)c3)c(C3CCCCC3)nc21 | 10.1016/j.bmcl.2020.127696 | |||
146025714 | 170401 | None | 0 | Human | Functional | pEC50 | = | 6.6 | 6.6 | - | 1 | ChEMBL | 356 | 3 | 0 | 7 | 3.8 | Cc1cc(Oc2nccn3ccnc23)ccc1-c1c(C)ncc2nccn12 | 10.1021/acs.jmedchem.9b00351 | |||
CHEMBL4446525 | 170401 | None | 0 | Human | Functional | pEC50 | = | 6.6 | 6.6 | - | 1 | ChEMBL | 356 | 3 | 0 | 7 | 3.8 | Cc1cc(Oc2nccn3ccnc23)ccc1-c1c(C)ncc2nccn12 | 10.1021/acs.jmedchem.9b00351 | |||
146025714 | 170401 | None | 0 | Human | Functional | pEC50 | = | 6.6 | 6.6 | - | 1 | ChEMBL | 356 | 3 | 0 | 7 | 3.8 | Cc1cc(Oc2nccn3ccnc23)ccc1-c1c(C)ncc2nccn12 | 10.1021/acs.jmedchem.9b00351 | |||
CHEMBL4446525 | 170401 | None | 0 | Human | Functional | pEC50 | = | 6.6 | 6.6 | - | 1 | ChEMBL | 356 | 3 | 0 | 7 | 3.8 | Cc1cc(Oc2nccn3ccnc23)ccc1-c1c(C)ncc2nccn12 | 10.1021/acs.jmedchem.9b00351 | |||
130442473 | 167433 | None | 0 | Human | Functional | pEC50 | = | 6.6 | 6.6 | - | 1 | ChEMBL | 341 | 3 | 0 | 5 | 5.2 | Cc1cc(Oc2nccc3occc23)ccc1-c1cccc2nccn12 | 10.1021/acs.jmedchem.8b01622 | |||
CHEMBL4294397 | 167433 | None | 0 | Human | Functional | pEC50 | = | 6.6 | 6.6 | - | 1 | ChEMBL | 341 | 3 | 0 | 5 | 5.2 | Cc1cc(Oc2nccc3occc23)ccc1-c1cccc2nccn12 | 10.1021/acs.jmedchem.8b01622 | |||
146025730 | 172071 | None | 0 | Human | Functional | pEC50 | = | 6.6 | 6.6 | - | 1 | ChEMBL | 355 | 3 | 0 | 4 | 5.2 | FC(F)(F)c1cc(Oc2ccccn2)ccc1-c1cccc2nccn12 | 10.1021/acs.jmedchem.9b00351 | |||
CHEMBL4470740 | 172071 | None | 0 | Human | Functional | pEC50 | = | 6.6 | 6.6 | - | 1 | ChEMBL | 355 | 3 | 0 | 4 | 5.2 | FC(F)(F)c1cc(Oc2ccccn2)ccc1-c1cccc2nccn12 | 10.1021/acs.jmedchem.9b00351 | |||
146025730 | 172071 | None | 0 | Human | Functional | pEC50 | = | 6.6 | 6.6 | - | 1 | ChEMBL | 355 | 3 | 0 | 4 | 5.2 | FC(F)(F)c1cc(Oc2ccccn2)ccc1-c1cccc2nccn12 | 10.1021/acs.jmedchem.9b00351 | |||
CHEMBL4470740 | 172071 | None | 0 | Human | Functional | pEC50 | = | 6.6 | 6.6 | - | 1 | ChEMBL | 355 | 3 | 0 | 4 | 5.2 | FC(F)(F)c1cc(Oc2ccccn2)ccc1-c1cccc2nccn12 | 10.1021/acs.jmedchem.9b00351 | |||
9796958 | 146666 | None | 0 | Goldfish | Functional | pEC50 | = | 5.6 | 5.6 | 4 | 2 | ChEMBL | 315 | 2 | 3 | 4 | 3.7 | CCCc1cc2c(s1)CN[C@H]1CCc3cc(O)c(O)cc3[C@H]21 | 10.1021/jm970038v | |||
CHEMBL2115374 | 146666 | None | 0 | Goldfish | Functional | pEC50 | = | 5.6 | 5.6 | 4 | 2 | ChEMBL | 315 | 2 | 3 | 4 | 3.7 | CCCc1cc2c(s1)CN[C@H]1CCc3cc(O)c(O)cc3[C@H]21 | 10.1021/jm970038v | |||
CHEMBL39230 | 146666 | None | 0 | Goldfish | Functional | pEC50 | = | 5.6 | 5.6 | 4 | 2 | ChEMBL | 315 | 2 | 3 | 4 | 3.7 | CCCc1cc2c(s1)CN[C@H]1CCc3cc(O)c(O)cc3[C@H]21 | 10.1021/jm970038v | |||
CHEMBL544814 | 146666 | None | 0 | Goldfish | Functional | pEC50 | = | 5.6 | 5.6 | 4 | 2 | ChEMBL | 315 | 2 | 3 | 4 | 3.7 | CCCc1cc2c(s1)CN[C@H]1CCc3cc(O)c(O)cc3[C@H]21 | 10.1021/jm970038v | |||
44320304 | 107091 | None | 0 | Human | Functional | pEC50 | = | 5.6 | 5.6 | - | 1 | ChEMBL | 367 | 5 | 3 | 4 | 4.5 | Oc1ccc2c(c1O)CC(C1CCCCC1)O[C@H]2CNCc1ccccc1 | 10.1021/jm00112a034 | |||
CHEMBL315516 | 107091 | None | 0 | Human | Functional | pEC50 | = | 5.6 | 5.6 | - | 1 | ChEMBL | 367 | 5 | 3 | 4 | 4.5 | Oc1ccc2c(c1O)CC(C1CCCCC1)O[C@H]2CNCc1ccccc1 | 10.1021/jm00112a034 | |||
85090318 | 179551 | None | 0 | Human | Functional | pEC50 | = | 6.6 | 6.6 | -3 | 2 | ChEMBL | 413 | 3 | 0 | 5 | 4.7 | Cc1ccc(-n2c(CC3CCCCC3)nc3c(c(=O)c4ccccc4n3C)c2=O)cc1 | 10.1016/j.bmcl.2020.127696 | |||
CHEMBL4740497 | 179551 | None | 0 | Human | Functional | pEC50 | = | 6.6 | 6.6 | -3 | 2 | ChEMBL | 413 | 3 | 0 | 5 | 4.7 | Cc1ccc(-n2c(CC3CCCCC3)nc3c(c(=O)c4ccccc4n3C)c2=O)cc1 | 10.1016/j.bmcl.2020.127696 | |||
10758744 | 100561 | None | 0 | Goldfish | Functional | pEC50 | = | 7.6 | 7.6 | - | 1 | ChEMBL | 329 | 0 | 3 | 4 | 4.0 | CC(C)(C)c1cc2c(s1)[C@H]1c3cc(O)c(O)cc3CC[C@@H]1NC2 | 10.1021/jm970038v | |||
CHEMBL291100 | 100561 | None | 0 | Goldfish | Functional | pEC50 | = | 7.6 | 7.6 | - | 1 | ChEMBL | 329 | 0 | 3 | 4 | 4.0 | CC(C)(C)c1cc2c(s1)[C@H]1c3cc(O)c(O)cc3CC[C@@H]1NC2 | 10.1021/jm970038v | |||
10710466 | 156506 | None | 0 | Goldfish | Functional | pEC50 | = | 7.6 | 7.6 | - | 1 | ChEMBL | 315 | 2 | 3 | 4 | 3.7 | CCCc1cc2c(s1)[C@H]1c3cc(O)c(O)cc3CC[C@@H]1NC2 | 10.1021/jm970038v | |||
CHEMBL40667 | 156506 | None | 0 | Goldfish | Functional | pEC50 | = | 7.6 | 7.6 | - | 1 | ChEMBL | 315 | 2 | 3 | 4 | 3.7 | CCCc1cc2c(s1)[C@H]1c3cc(O)c(O)cc3CC[C@@H]1NC2 | 10.1021/jm970038v | |||
2407 | 3372 | None | 50 | Human | Functional | pEC50 | = | 7.6 | 7.6 | -7 | 17 | ChEMBL | 315 | 6 | 1 | 3 | 4.3 | CCCN([C@H]1CCc2c(C1)cccc2O)CCc1cccs1 | 10.1016/j.bmc.2013.11.012 | |||
59227 | 3372 | None | 50 | Human | Functional | pEC50 | = | 7.6 | 7.6 | -7 | 17 | ChEMBL | 315 | 6 | 1 | 3 | 4.3 | CCCN([C@H]1CCc2c(C1)cccc2O)CCc1cccs1 | 10.1016/j.bmc.2013.11.012 | |||
59227.0 | 3372 | None | 50 | Human | Functional | pEC50 | = | 7.6 | 7.6 | -7 | 17 | ChEMBL | 315 | 6 | 1 | 3 | 4.3 | CCCN([C@H]1CCc2c(C1)cccc2O)CCc1cccs1 | 10.1016/j.bmc.2013.11.012 | |||
941 | 3372 | None | 50 | Human | Functional | pEC50 | = | 7.6 | 7.6 | -7 | 17 | ChEMBL | 315 | 6 | 1 | 3 | 4.3 | CCCN([C@H]1CCc2c(C1)cccc2O)CCc1cccs1 | 10.1016/j.bmc.2013.11.012 | |||
CHEMBL1303 | 3372 | None | 50 | Human | Functional | pEC50 | = | 7.6 | 7.6 | -7 | 17 | ChEMBL | 315 | 6 | 1 | 3 | 4.3 | CCCN([C@H]1CCc2c(C1)cccc2O)CCc1cccs1 | 10.1016/j.bmc.2013.11.012 | |||
DB05271 | 3372 | None | 50 | Human | Functional | pEC50 | = | 7.6 | 7.6 | -7 | 17 | ChEMBL | 315 | 6 | 1 | 3 | 4.3 | CCCN([C@H]1CCc2c(C1)cccc2O)CCc1cccs1 | 10.1016/j.bmc.2013.11.012 | |||
146192958 | 170617 | None | 0 | Human | Functional | pEC50 | = | 7.6 | 7.6 | - | 1 | ChEMBL | 413 | 4 | 2 | 3 | 3.9 | C[C@H]1c2cccc(-c3cn[nH]c3)c2C[C@H](CO)N1C(=O)Cc1c(F)cccc1Cl | 10.1021/acsmedchemlett.9b00547 | |||
CHEMBL4449549 | 170617 | None | 0 | Human | Functional | pEC50 | = | 7.6 | 7.6 | - | 1 | ChEMBL | 413 | 4 | 2 | 3 | 3.9 | C[C@H]1c2cccc(-c3cn[nH]c3)c2C[C@H](CO)N1C(=O)Cc1c(F)cccc1Cl | 10.1021/acsmedchemlett.9b00547 | |||
146192964 | 174814 | None | 0 | Human | Functional | pEC50 | = | 6.5 | 6.5 | - | 1 | ChEMBL | 469 | 5 | 1 | 4 | 5.2 | C[C@H]1c2cccc(-c3cnn(C4CC4)c3)c2C[C@H](CO)N1C(=O)Cc1c(Cl)cccc1Cl | 10.1021/acsmedchemlett.9b00547 | |||
CHEMBL4559891 | 174814 | None | 0 | Human | Functional | pEC50 | = | 6.5 | 6.5 | - | 1 | ChEMBL | 469 | 5 | 1 | 4 | 5.2 | C[C@H]1c2cccc(-c3cnn(C4CC4)c3)c2C[C@H](CO)N1C(=O)Cc1c(Cl)cccc1Cl | 10.1021/acsmedchemlett.9b00547 | |||
10519435 | 171572 | None | 0 | Goldfish | Functional | pEC50 | = | 7.5 | 7.5 | - | 1 | ChEMBL | 315 | 1 | 3 | 4 | 3.8 | CC(C)c1cc2c(s1)CN[C@H]1CCc3cc(O)c(O)cc3[C@H]21 | 10.1021/jm970038v | |||
CHEMBL446350 | 171572 | None | 0 | Goldfish | Functional | pEC50 | = | 7.5 | 7.5 | - | 1 | ChEMBL | 315 | 1 | 3 | 4 | 3.8 | CC(C)c1cc2c(s1)CN[C@H]1CCc3cc(O)c(O)cc3[C@H]21 | 10.1021/jm970038v | |||
15981509 | 142045 | None | 1 | Human | Functional | pEC50 | = | 7.5 | 7.5 | 3 | 2 | ChEMBL | 269 | 0 | 3 | 4 | 2.1 | Oc1cc2c(cc1O)[C@H]1c3ccccc3CN[C@@H]1CO2 | 10.1021/jm0604979 | |||
CHEMBL387250 | 142045 | None | 1 | Human | Functional | pEC50 | = | 7.5 | 7.5 | 3 | 2 | ChEMBL | 269 | 0 | 3 | 4 | 2.1 | Oc1cc2c(cc1O)[C@H]1c3ccccc3CN[C@@H]1CO2 | 10.1021/jm0604979 | |||
10856744 | 60045 | None | 5 | Rat | Functional | pEC50 | = | 6.5 | 6.5 | 6 | 2 | ChEMBL | 210 | 2 | 3 | 5 | 1.2 | NCCc1ccc(O)c2nc(O)sc12 | 10.1021/jm00390a009 | |||
CHEMBL17357 | 60045 | None | 5 | Rat | Functional | pEC50 | = | 6.5 | 6.5 | 6 | 2 | ChEMBL | 210 | 2 | 3 | 5 | 1.2 | NCCc1ccc(O)c2nc(O)sc12 | 10.1021/jm00390a009 | |||
85090330 | 181179 | None | 0 | Human | Functional | pEC50 | = | 6.5 | 6.5 | -7 | 2 | ChEMBL | 463 | 4 | 0 | 6 | 5.0 | COc1ccc(-n2c(CC3CCCCC3)nc3c(c(=O)c4ccccc4n3C)c2=O)cc1Cl | 10.1016/j.bmcl.2020.127696 | |||
CHEMBL4759814 | 181179 | None | 0 | Human | Functional | pEC50 | = | 6.5 | 6.5 | -7 | 2 | ChEMBL | 463 | 4 | 0 | 6 | 5.0 | COc1ccc(-n2c(CC3CCCCC3)nc3c(c(=O)c4ccccc4n3C)c2=O)cc1Cl | 10.1016/j.bmcl.2020.127696 | |||
10506 | 2524 | None | 24 | Human | Functional | pEC50 | = | 8.5 | 8.5 | 20 | 3 | ChEMBL | 449 | 6 | 2 | 3 | 4.7 | OC[C@H]1Cc2c(cccc2[C@@H](N1C(=O)Cc1c(Cl)cccc1Cl)C)CCC(O)(C)C | 10.1021/acs.jmedchem.9b01234 | |||
86290953 | 2524 | None | 24 | Human | Functional | pEC50 | = | 8.5 | 8.5 | 20 | 3 | ChEMBL | 449 | 6 | 2 | 3 | 4.7 | OC[C@H]1Cc2c(cccc2[C@@H](N1C(=O)Cc1c(Cl)cccc1Cl)C)CCC(O)(C)C | 10.1021/acs.jmedchem.9b01234 | |||
86290953.0 | 2524 | None | 24 | Human | Functional | pEC50 | = | 8.5 | 8.5 | 20 | 3 | ChEMBL | 449 | 6 | 2 | 3 | 4.7 | OC[C@H]1Cc2c(cccc2[C@@H](N1C(=O)Cc1c(Cl)cccc1Cl)C)CCC(O)(C)C | 10.1021/acs.jmedchem.9b01234 | |||
CHEMBL3421729 | 2524 | None | 24 | Human | Functional | pEC50 | = | 8.5 | 8.5 | 20 | 3 | ChEMBL | 449 | 6 | 2 | 3 | 4.7 | OC[C@H]1Cc2c(cccc2[C@@H](N1C(=O)Cc1c(Cl)cccc1Cl)C)CCC(O)(C)C | 10.1021/acs.jmedchem.9b01234 | |||
44320050 | 106887 | None | 0 | Human | Functional | pEC50 | = | 8.5 | 8.5 | -1 | 3 | ChEMBL | 277 | 2 | 3 | 4 | 2.6 | NC[C@@H]1OC(C2CCCCC2)Cc2c1ccc(O)c2O | 10.1021/jm00112a034 | |||
CHEMBL314459 | 106887 | None | 0 | Human | Functional | pEC50 | = | 8.5 | 8.5 | -1 | 3 | ChEMBL | 277 | 2 | 3 | 4 | 2.6 | NC[C@@H]1OC(C2CCCCC2)Cc2c1ccc(O)c2O | 10.1021/jm00112a034 | |||
44320357 | 208857 | None | 0 | Human | Functional | pEC50 | = | 8.5 | 8.5 | 54 | 2 | ChEMBL | 287 | 2 | 4 | 5 | 2.1 | NC[C@@H]1OC(c2cccc(O)c2)Cc2c1ccc(O)c2O | 10.1021/jm00112a034 | |||
CHEMBL87734 | 208857 | None | 0 | Human | Functional | pEC50 | = | 8.5 | 8.5 | 54 | 2 | ChEMBL | 287 | 2 | 4 | 5 | 2.1 | NC[C@@H]1OC(c2cccc(O)c2)Cc2c1ccc(O)c2O | 10.1021/jm00112a034 | |||
86293768 | 118879 | None | 0 | Human | Functional | pEC50 | = | 8.4 | 8.4 | - | 1 | ChEMBL | 435 | 5 | 2 | 3 | 4.4 | C[C@H]1c2cccc(CC(C)(C)O)c2C[C@H](CO)N1C(=O)Cc1c(Cl)cccc1Cl | 10.1021/acs.jmedchem.8b01767 | |||
CHEMBL3421836 | 118879 | None | 0 | Human | Functional | pEC50 | = | 8.4 | 8.4 | - | 1 | ChEMBL | 435 | 5 | 2 | 3 | 4.4 | C[C@H]1c2cccc(CC(C)(C)O)c2C[C@H](CO)N1C(=O)Cc1c(Cl)cccc1Cl | 10.1021/acs.jmedchem.8b01767 | |||
228 | 445 | None | 20 | Human | Functional | pEC50 | = | 8.4 | 8.4 | -14 | 20 | ChEMBL | 267 | 0 | 2 | 3 | 2.9 | CN1CCc2c3[C@H]1Cc1ccc(c(c1c3ccc2)O)O | 10.1021/acsmedchemlett.9b00575 | |||
33 | 445 | None | 20 | Human | Functional | pEC50 | = | 8.4 | 8.4 | -14 | 20 | ChEMBL | 267 | 0 | 2 | 3 | 2.9 | CN1CCc2c3[C@H]1Cc1ccc(c(c1c3ccc2)O)O | 10.1021/acsmedchemlett.9b00575 | |||
6005 | 445 | None | 20 | Human | Functional | pEC50 | = | 8.4 | 8.4 | -14 | 20 | ChEMBL | 267 | 0 | 2 | 3 | 2.9 | CN1CCc2c3[C@H]1Cc1ccc(c(c1c3ccc2)O)O | 10.1021/acsmedchemlett.9b00575 | |||
6005.0 | 445 | None | 20 | Human | Functional | pEC50 | = | 8.4 | 8.4 | -14 | 20 | ChEMBL | 267 | 0 | 2 | 3 | 2.9 | CN1CCc2c3[C@H]1Cc1ccc(c(c1c3ccc2)O)O | 10.1021/acsmedchemlett.9b00575 | |||
CHEMBL53 | 445 | None | 20 | Human | Functional | pEC50 | = | 8.4 | 8.4 | -14 | 20 | ChEMBL | 267 | 0 | 2 | 3 | 2.9 | CN1CCc2c3[C@H]1Cc1ccc(c(c1c3ccc2)O)O | 10.1021/acsmedchemlett.9b00575 | |||
DB00714 | 445 | None | 20 | Human | Functional | pEC50 | = | 8.4 | 8.4 | -14 | 20 | ChEMBL | 267 | 0 | 2 | 3 | 2.9 | CN1CCc2c3[C@H]1Cc1ccc(c(c1c3ccc2)O)O | 10.1021/acsmedchemlett.9b00575 | |||
6604773 | 16265 | None | 0 | Human | Functional | pEC50 | = | 8.4 | 8.4 | - | 1 | ChEMBL | 267 | 0 | 3 | 3 | 2.6 | Oc1cc2c(cc1O)[C@H]1c3ccccc3CN[C@H]1CC2 | 10.1016/j.bmc.2010.07.052 | |||
CHEMBL1224528 | 16265 | None | 0 | Human | Functional | pEC50 | = | 8.4 | 8.4 | - | 1 | ChEMBL | 267 | 0 | 3 | 3 | 2.6 | Oc1cc2c(cc1O)[C@H]1c3ccccc3CN[C@H]1CC2 | 10.1016/j.bmc.2010.07.052 | |||
228 | 445 | None | 20 | Human | Functional | pEC50 | = | 8.4 | 8.4 | -14 | 20 | ChEMBL | 267 | 0 | 2 | 3 | 2.9 | CN1CCc2c3[C@H]1Cc1ccc(c(c1c3ccc2)O)O | 10.1021/acsmedchemlett.9b00575 | |||
33 | 445 | None | 20 | Human | Functional | pEC50 | = | 8.4 | 8.4 | -14 | 20 | ChEMBL | 267 | 0 | 2 | 3 | 2.9 | CN1CCc2c3[C@H]1Cc1ccc(c(c1c3ccc2)O)O | 10.1021/acsmedchemlett.9b00575 | |||
6005 | 445 | None | 20 | Human | Functional | pEC50 | = | 8.4 | 8.4 | -14 | 20 | ChEMBL | 267 | 0 | 2 | 3 | 2.9 | CN1CCc2c3[C@H]1Cc1ccc(c(c1c3ccc2)O)O | 10.1021/acsmedchemlett.9b00575 | |||
6005.0 | 445 | None | 20 | Human | Functional | pEC50 | = | 8.4 | 8.4 | -14 | 20 | ChEMBL | 267 | 0 | 2 | 3 | 2.9 | CN1CCc2c3[C@H]1Cc1ccc(c(c1c3ccc2)O)O | 10.1021/acsmedchemlett.9b00575 | |||
CHEMBL53 | 445 | None | 20 | Human | Functional | pEC50 | = | 8.4 | 8.4 | -14 | 20 | ChEMBL | 267 | 0 | 2 | 3 | 2.9 | CN1CCc2c3[C@H]1Cc1ccc(c(c1c3ccc2)O)O | 10.1021/acsmedchemlett.9b00575 | |||
DB00714 | 445 | None | 20 | Human | Functional | pEC50 | = | 8.4 | 8.4 | -14 | 20 | ChEMBL | 267 | 0 | 2 | 3 | 2.9 | CN1CCc2c3[C@H]1Cc1ccc(c(c1c3ccc2)O)O | 10.1021/acsmedchemlett.9b00575 | |||
6852376 | 91633 | None | 9 | Human | Functional | pEC50 | = | 7.5 | 7.5 | -1 | 4 | ChEMBL | 255 | 1 | 3 | 3 | 2.4 | Oc1cc2c(cc1O)[C@@H](c1ccccc1)CNCC2 | 10.1016/j.bmc.2007.06.036 | |||
CHEMBL1467585 | 91633 | None | 9 | Human | Functional | pEC50 | = | 7.5 | 7.5 | -1 | 4 | ChEMBL | 255 | 1 | 3 | 3 | 2.4 | Oc1cc2c(cc1O)[C@@H](c1ccccc1)CNCC2 | 10.1016/j.bmc.2007.06.036 | |||
CHEMBL24077 | 91633 | None | 9 | Human | Functional | pEC50 | = | 7.5 | 7.5 | -1 | 4 | ChEMBL | 255 | 1 | 3 | 3 | 2.4 | Oc1cc2c(cc1O)[C@@H](c1ccccc1)CNCC2 | 10.1016/j.bmc.2007.06.036 | |||
CHEMBL503958 | 91633 | None | 9 | Human | Functional | pEC50 | = | 7.5 | 7.5 | -1 | 4 | ChEMBL | 255 | 1 | 3 | 3 | 2.4 | Oc1cc2c(cc1O)[C@@H](c1ccccc1)CNCC2 | 10.1016/j.bmc.2007.06.036 | |||
6603820 | 95827 | None | 16 | Rat | Functional | pEC50 | = | 7.5 | 7.5 | -1 | 7 | ChEMBL | 267 | 0 | 3 | 3 | 2.6 | Oc1cc2c(cc1O)[C@H]1c3ccccc3CN[C@@H]1CC2 | 10.1021/jm9502100 | |||
CHEMBL25856 | 95827 | None | 16 | Rat | Functional | pEC50 | = | 7.5 | 7.5 | -1 | 7 | ChEMBL | 267 | 0 | 3 | 3 | 2.6 | Oc1cc2c(cc1O)[C@H]1c3ccccc3CN[C@@H]1CC2 | 10.1021/jm9502100 | |||
145867041 | 174633 | None | 4 | Human | Functional | pEC50 | = | 7.5 | 7.5 | - | 1 | ChEMBL | 421 | 2 | 1 | 1 | 6.9 | Cc1ccc(Cl)c(NC(=O)C2(C)CC3c4ccccc4C2c2ccccc23)c1Cl | 10.1021/acs.jmedchem.8b01767 | |||
CHEMBL4555682 | 174633 | None | 4 | Human | Functional | pEC50 | = | 7.5 | 7.5 | - | 1 | ChEMBL | 421 | 2 | 1 | 1 | 6.9 | Cc1ccc(Cl)c(NC(=O)C2(C)CC3c4ccccc4C2c2ccccc23)c1Cl | 10.1021/acs.jmedchem.8b01767 | |||
44320327 | 163519 | None | 0 | Rat | Functional | pEC50 | = | 7.5 | 7.5 | 1 | 2 | ChEMBL | 317 | 5 | 3 | 4 | 3.4 | C=CCNC[C@@H]1OC(C2CCCCC2)Cc2c1ccc(O)c2O | 10.1021/jm00112a034 | |||
CHEMBL419680 | 163519 | None | 0 | Rat | Functional | pEC50 | = | 7.5 | 7.5 | 1 | 2 | ChEMBL | 317 | 5 | 3 | 4 | 3.4 | C=CCNC[C@@H]1OC(C2CCCCC2)Cc2c1ccc(O)c2O | 10.1021/jm00112a034 | |||
1242 | 3613 | None | 17 | Human | Functional | pEC50 | = | 6.5 | 6.5 | 1 | 3 | ChEMBL | 255 | 1 | 3 | 3 | 2.4 | Oc1cc2CCNCC(c2cc1O)c1ccccc1 | 10.1016/j.bmc.2009.06.019 | |||
935 | 3613 | None | 17 | Human | Functional | pEC50 | = | 6.5 | 6.5 | 1 | 3 | ChEMBL | 255 | 1 | 3 | 3 | 2.4 | Oc1cc2CCNCC(c2cc1O)c1ccccc1 | 10.1016/j.bmc.2009.06.019 | |||
CHEMBL286080 | 3613 | None | 17 | Human | Functional | pEC50 | = | 6.5 | 6.5 | 1 | 3 | ChEMBL | 255 | 1 | 3 | 3 | 2.4 | Oc1cc2CCNCC(c2cc1O)c1ccccc1 | 10.1016/j.bmc.2009.06.019 | |||
137364067 | 191184 | None | 0 | Human | Functional | pEC50 | = | 4.5 | 4.5 | - | 1 | ChEMBL | 293 | 5 | 1 | 3 | 4.1 | CCS(=N)(=O)c1ccc(-c2ccccc2OCF)cc1 | 10.1021/acs.jmedchem.2c00949 | |||
CHEMBL5187471 | 191184 | None | 0 | Human | Functional | pEC50 | = | 4.5 | 4.5 | - | 1 | ChEMBL | 293 | 5 | 1 | 3 | 4.1 | CCS(=N)(=O)c1ccc(-c2ccccc2OCF)cc1 | 10.1021/acs.jmedchem.2c00949 | |||
10709445 | 101418 | None | 0 | Goldfish | Functional | pEC50 | = | 7.5 | 7.5 | - | 1 | ChEMBL | 301 | 1 | 3 | 4 | 3.3 | CCc1cc2c(s1)CN[C@H]1CCc3cc(O)c(O)cc3[C@H]21 | 10.1021/jm970038v | |||
CHEMBL2115377 | 101418 | None | 0 | Goldfish | Functional | pEC50 | = | 7.5 | 7.5 | - | 1 | ChEMBL | 301 | 1 | 3 | 4 | 3.3 | CCc1cc2c(s1)CN[C@H]1CCc3cc(O)c(O)cc3[C@H]21 | 10.1021/jm970038v | |||
CHEMBL296993 | 101418 | None | 0 | Goldfish | Functional | pEC50 | = | 7.5 | 7.5 | - | 1 | ChEMBL | 301 | 1 | 3 | 4 | 3.3 | CCc1cc2c(s1)CN[C@H]1CCc3cc(O)c(O)cc3[C@H]21 | 10.1021/jm970038v | |||
3033200 | 174631 | None | 2 | Human | Functional | pEC50 | = | 7.5 | 7.5 | -616 | 2 | ChEMBL | 379 | 4 | 0 | 5 | 4.1 | CCCN1CCc2cccc3c2[C@H]1Cc1ccc(OC(C)=O)c(OC(C)=O)c1-3 | 10.1021/acsmedchemlett.9b00575 | |||
CHEMBL4555547 | 174631 | None | 2 | Human | Functional | pEC50 | = | 7.5 | 7.5 | -616 | 2 | ChEMBL | 379 | 4 | 0 | 5 | 4.1 | CCCN1CCc2cccc3c2[C@H]1Cc1ccc(OC(C)=O)c(OC(C)=O)c1-3 | 10.1021/acsmedchemlett.9b00575 | |||
3033200 | 174631 | None | 2 | Human | Functional | pEC50 | = | 7.5 | 7.5 | -616 | 2 | ChEMBL | 379 | 4 | 0 | 5 | 4.1 | CCCN1CCc2cccc3c2[C@H]1Cc1ccc(OC(C)=O)c(OC(C)=O)c1-3 | 10.1021/acsmedchemlett.9b00575 | |||
CHEMBL4555547 | 174631 | None | 2 | Human | Functional | pEC50 | = | 7.5 | 7.5 | -616 | 2 | ChEMBL | 379 | 4 | 0 | 5 | 4.1 | CCCN1CCc2cccc3c2[C@H]1Cc1ccc(OC(C)=O)c(OC(C)=O)c1-3 | 10.1021/acsmedchemlett.9b00575 | |||
117720272 | 118878 | None | 5 | Mouse | Functional | pEC50 | = | 6.5 | 6.5 | -34 | 3 | ChEMBL | 421 | 4 | 2 | 3 | 4.3 | C[C@H]1c2cccc(C(C)(C)O)c2C[C@H](CO)N1C(=O)Cc1c(Cl)cccc1Cl | 10.1021/acs.jmedchem.8b01767 | |||
CHEMBL3421730 | 118878 | None | 5 | Mouse | Functional | pEC50 | = | 6.5 | 6.5 | -34 | 3 | ChEMBL | 421 | 4 | 2 | 3 | 4.3 | C[C@H]1c2cccc(C(C)(C)O)c2C[C@H](CO)N1C(=O)Cc1c(Cl)cccc1Cl | 10.1021/acs.jmedchem.8b01767 | |||
71722291 | 102515 | None | 0 | Human | Functional | pEC50 | = | 6.5 | 6.5 | -4 | 2 | ChEMBL | 423 | 2 | 3 | 4 | 5.3 | CN1CCc2ccc(Cc3ccc(O)c4ccccc34)c3c2[C@H]1Cc1ccc(O)c(O)c1-3 | 10.1016/j.bmc.2013.05.014 | |||
CHEMBL2397385 | 102515 | None | 0 | Human | Functional | pEC50 | = | 6.5 | 6.5 | -4 | 2 | ChEMBL | 423 | 2 | 3 | 4 | 5.3 | CN1CCc2ccc(Cc3ccc(O)c4ccccc34)c3c2[C@H]1Cc1ccc(O)c(O)c1-3 | 10.1016/j.bmc.2013.05.014 | |||
CHEMBL3040059 | 102515 | None | 0 | Human | Functional | pEC50 | = | 6.5 | 6.5 | -4 | 2 | ChEMBL | 423 | 2 | 3 | 4 | 5.3 | CN1CCc2ccc(Cc3ccc(O)c4ccccc34)c3c2[C@H]1Cc1ccc(O)c(O)c1-3 | 10.1016/j.bmc.2013.05.014 | |||
146025708 | 173628 | None | 0 | Human | Functional | pEC50 | = | 6.5 | 6.5 | - | 1 | ChEMBL | 409 | 5 | 0 | 6 | 5.7 | Cc1cc(N(CC2CC2)c2nccc3occc23)ccc1-c1c(C)ncc2nccn12 | 10.1021/acs.jmedchem.9b00351 | |||
CHEMBL4531083 | 173628 | None | 0 | Human | Functional | pEC50 | = | 6.5 | 6.5 | - | 1 | ChEMBL | 409 | 5 | 0 | 6 | 5.7 | Cc1cc(N(CC2CC2)c2nccc3occc23)ccc1-c1c(C)ncc2nccn12 | 10.1021/acs.jmedchem.9b00351 | |||
25142456 | 82438 | None | 1 | Human | Functional | pEC50 | = | 7.5 | 7.5 | 3 | 2 | ChEMBL | 269 | 0 | 3 | 4 | 2.1 | Oc1cc2c(cc1O)C1c3ccccc3CNC1CO2 | 10.1021/jm0604979 | |||
CHEMBL217299 | 82438 | None | 1 | Human | Functional | pEC50 | = | 7.5 | 7.5 | 3 | 2 | ChEMBL | 269 | 0 | 3 | 4 | 2.1 | Oc1cc2c(cc1O)C1c3ccccc3CNC1CO2 | 10.1021/jm0604979 | |||
146025708 | 173628 | None | 0 | Human | Functional | pEC50 | = | 6.5 | 6.5 | - | 1 | ChEMBL | 409 | 5 | 0 | 6 | 5.7 | Cc1cc(N(CC2CC2)c2nccc3occc23)ccc1-c1c(C)ncc2nccn12 | 10.1021/acs.jmedchem.9b00351 | |||
CHEMBL4531083 | 173628 | None | 0 | Human | Functional | pEC50 | = | 6.5 | 6.5 | - | 1 | ChEMBL | 409 | 5 | 0 | 6 | 5.7 | Cc1cc(N(CC2CC2)c2nccc3occc23)ccc1-c1c(C)ncc2nccn12 | 10.1021/acs.jmedchem.9b00351 | |||
44276404 | 99132 | None | 0 | Human | Functional | pEC50 | = | 6.5 | 6.5 | - | 1 | ChEMBL | 268 | 0 | 3 | 4 | 2.0 | Oc1cc2c(cc1O)[C@H]1c3cnccc3CN[C@@H]1CC2 | 10.1016/s0960-894x(99)00214-0 | |||
CHEMBL28054 | 99132 | None | 0 | Human | Functional | pEC50 | = | 6.5 | 6.5 | - | 1 | ChEMBL | 268 | 0 | 3 | 4 | 2.0 | Oc1cc2c(cc1O)[C@H]1c3cnccc3CN[C@@H]1CC2 | 10.1016/s0960-894x(99)00214-0 | |||
10802235 | 13264 | None | 0 | Goldfish | Functional | pEC50 | = | 5.5 | 5.5 | - | 1 | ChEMBL | 273 | 0 | 3 | 4 | 2.7 | Oc1cc2c(cc1O)[C@@H]1c3sccc3CN[C@@H]1CC2 | 10.1021/jm970038v | |||
CHEMBL1191487 | 13264 | None | 0 | Goldfish | Functional | pEC50 | = | 5.5 | 5.5 | - | 1 | ChEMBL | 273 | 0 | 3 | 4 | 2.7 | Oc1cc2c(cc1O)[C@@H]1c3sccc3CN[C@@H]1CC2 | 10.1021/jm970038v | |||
CHEMBL542593 | 13264 | None | 0 | Goldfish | Functional | pEC50 | = | 5.5 | 5.5 | - | 1 | ChEMBL | 273 | 0 | 3 | 4 | 2.7 | Oc1cc2c(cc1O)[C@@H]1c3sccc3CN[C@@H]1CC2 | 10.1021/jm970038v | |||
10732044 | 84447 | None | 0 | Goldfish | Functional | pEC50 | = | 7.5 | 7.5 | - | 1 | ChEMBL | 287 | 0 | 3 | 4 | 3.0 | Cc1cc2c(s1)CN[C@@H]1CCc3cc(O)c(O)cc3[C@@H]21 | 10.1021/jm970038v | |||
CHEMBL2114440 | 84447 | None | 0 | Goldfish | Functional | pEC50 | = | 7.5 | 7.5 | - | 1 | ChEMBL | 287 | 0 | 3 | 4 | 3.0 | Cc1cc2c(s1)CN[C@@H]1CCc3cc(O)c(O)cc3[C@@H]21 | 10.1021/jm970038v | |||
CHEMBL2219804 | 84447 | None | 0 | Goldfish | Functional | pEC50 | = | 7.5 | 7.5 | - | 1 | ChEMBL | 287 | 0 | 3 | 4 | 3.0 | Cc1cc2c(s1)CN[C@@H]1CCc3cc(O)c(O)cc3[C@@H]21 | 10.1021/jm970038v | |||
75201901 | 166520 | None | 21 | Human | Functional | pEC50 | = | 7.5 | 7.5 | 95 | 4 | ChEMBL | 356 | 3 | 0 | 6 | 4.9 | Cc1cc(Oc2nccc3occc23)ccc1-c1c(C)ncc2nccn12 | 10.1021/acs.jmedchem.8b01622 | |||
CHEMBL4277264 | 166520 | None | 21 | Human | Functional | pEC50 | = | 7.5 | 7.5 | 95 | 4 | ChEMBL | 356 | 3 | 0 | 6 | 4.9 | Cc1cc(Oc2nccc3occc23)ccc1-c1c(C)ncc2nccn12 | 10.1021/acs.jmedchem.8b01622 | |||
44554474 | 106341 | None | 0 | Human | Functional | pEC50 | = | 6.5 | 6.5 | -301 | 2 | ChEMBL | 245 | 2 | 1 | 3 | 1.7 | C=CCN1CCO[C@@H]2Cc3c(O)cccc3C[C@H]21 | 10.1016/j.bmc.2013.11.012 | |||
CHEMBL3099227 | 106341 | None | 0 | Human | Functional | pEC50 | = | 6.5 | 6.5 | -301 | 2 | ChEMBL | 245 | 2 | 1 | 3 | 1.7 | C=CCN1CCO[C@@H]2Cc3c(O)cccc3C[C@H]21 | 10.1016/j.bmc.2013.11.012 | |||
CHEMBL3139043 | 106341 | None | 0 | Human | Functional | pEC50 | = | 6.5 | 6.5 | -301 | 2 | ChEMBL | 245 | 2 | 1 | 3 | 1.7 | C=CCN1CCO[C@@H]2Cc3c(O)cccc3C[C@H]21 | 10.1016/j.bmc.2013.11.012 | |||
155519631 | 170508 | None | 0 | Rat | Functional | pEC50 | = | 6.5 | 6.5 | -15 | 2 | ChEMBL | 421 | 2 | 1 | 1 | 6.9 | Cc1cccc(Cl)c1NC(=O)C1(C)CC2c3ccccc3C1c1cc(Cl)ccc12 | 10.1021/acs.jmedchem.8b01767 | |||
CHEMBL4448100 | 170508 | None | 0 | Rat | Functional | pEC50 | = | 6.5 | 6.5 | -15 | 2 | ChEMBL | 421 | 2 | 1 | 1 | 6.9 | Cc1cccc(Cl)c1NC(=O)C1(C)CC2c3ccccc3C1c1cc(Cl)ccc12 | 10.1021/acs.jmedchem.8b01767 | |||
146025818 | 169865 | None | 0 | Human | Functional | pEC50 | = | 6.5 | 6.5 | 3 | 2 | ChEMBL | 429 | 2 | 0 | 5 | 4.1 | CC(=O)Oc1c(Br)cc2c(c1OC(C)=O)-c1cccc3c1[C@@H](C2)N(C)CC3 | 10.1021/acsmedchemlett.9b00575 | |||
CHEMBL4438800 | 169865 | None | 0 | Human | Functional | pEC50 | = | 6.5 | 6.5 | 3 | 2 | ChEMBL | 429 | 2 | 0 | 5 | 4.1 | CC(=O)Oc1c(Br)cc2c(c1OC(C)=O)-c1cccc3c1[C@@H](C2)N(C)CC3 | 10.1021/acsmedchemlett.9b00575 | |||
44320076 | 208884 | None | 0 | Human | Functional | pEC50 | = | 7.5 | 7.5 | - | 1 | ChEMBL | 285 | 3 | 3 | 4 | 2.3 | NC[C@@H]1OC(Cc2ccccc2)Cc2c1ccc(O)c2O | 10.1021/jm00112a034 | |||
CHEMBL87910 | 208884 | None | 0 | Human | Functional | pEC50 | = | 7.5 | 7.5 | - | 1 | ChEMBL | 285 | 3 | 3 | 4 | 2.3 | NC[C@@H]1OC(Cc2ccccc2)Cc2c1ccc(O)c2O | 10.1021/jm00112a034 | |||
681 | 1465 | None | 47 | Human | Functional | pEC50 | = | 7.5 | 7.5 | -54 | 15 | ChEMBL | 153 | 2 | 3 | 3 | 0.6 | NCCc1ccc(c(c1)O)O | 10.1016/j.bmc.2007.06.036 | |||
681.0 | 1465 | None | 47 | Human | Functional | pEC50 | = | 7.5 | 7.5 | -54 | 15 | ChEMBL | 153 | 2 | 3 | 3 | 0.6 | NCCc1ccc(c(c1)O)O | 10.1016/j.bmc.2007.06.036 | |||
940 | 1465 | None | 47 | Human | Functional | pEC50 | = | 7.5 | 7.5 | -54 | 15 | ChEMBL | 153 | 2 | 3 | 3 | 0.6 | NCCc1ccc(c(c1)O)O | 10.1016/j.bmc.2007.06.036 | |||
947 | 1465 | None | 47 | Human | Functional | pEC50 | = | 7.5 | 7.5 | -54 | 15 | ChEMBL | 153 | 2 | 3 | 3 | 0.6 | NCCc1ccc(c(c1)O)O | 10.1016/j.bmc.2007.06.036 | |||
CHEMBL59 | 1465 | None | 47 | Human | Functional | pEC50 | = | 7.5 | 7.5 | -54 | 15 | ChEMBL | 153 | 2 | 3 | 3 | 0.6 | NCCc1ccc(c(c1)O)O | 10.1016/j.bmc.2007.06.036 | |||
DB00988 | 1465 | None | 47 | Human | Functional | pEC50 | = | 7.5 | 7.5 | -54 | 15 | ChEMBL | 153 | 2 | 3 | 3 | 0.6 | NCCc1ccc(c(c1)O)O | 10.1016/j.bmc.2007.06.036 | |||
146025706 | 171727 | None | 0 | Human | Functional | pEC50 | = | 7.5 | 7.5 | - | 1 | ChEMBL | 383 | 4 | 0 | 6 | 5.3 | CCN(c1ccc(-c2c(C)ncc3nccn23)c(C)c1)c1nccc2occc12 | 10.1021/acs.jmedchem.9b00351 | |||
CHEMBL4465592 | 171727 | None | 0 | Human | Functional | pEC50 | = | 7.5 | 7.5 | - | 1 | ChEMBL | 383 | 4 | 0 | 6 | 5.3 | CCN(c1ccc(-c2c(C)ncc3nccn23)c(C)c1)c1nccc2occc12 | 10.1021/acs.jmedchem.9b00351 | |||
681 | 1465 | None | 47 | Rat | Functional | pEC50 | = | 5.5 | 5.5 | -1380 | 15 | ChEMBL | 153 | 2 | 3 | 3 | 0.6 | NCCc1ccc(c(c1)O)O | 10.1021/jm00390a009 | |||
681.0 | 1465 | None | 47 | Rat | Functional | pEC50 | = | 5.5 | 5.5 | -1380 | 15 | ChEMBL | 153 | 2 | 3 | 3 | 0.6 | NCCc1ccc(c(c1)O)O | 10.1021/jm00390a009 | |||
940 | 1465 | None | 47 | Rat | Functional | pEC50 | = | 5.5 | 5.5 | -1380 | 15 | ChEMBL | 153 | 2 | 3 | 3 | 0.6 | NCCc1ccc(c(c1)O)O | 10.1021/jm00390a009 | |||
947 | 1465 | None | 47 | Rat | Functional | pEC50 | = | 5.5 | 5.5 | -1380 | 15 | ChEMBL | 153 | 2 | 3 | 3 | 0.6 | NCCc1ccc(c(c1)O)O | 10.1021/jm00390a009 | |||
CHEMBL59 | 1465 | None | 47 | Rat | Functional | pEC50 | = | 5.5 | 5.5 | -1380 | 15 | ChEMBL | 153 | 2 | 3 | 3 | 0.6 | NCCc1ccc(c(c1)O)O | 10.1021/jm00390a009 | |||
DB00988 | 1465 | None | 47 | Rat | Functional | pEC50 | = | 5.5 | 5.5 | -1380 | 15 | ChEMBL | 153 | 2 | 3 | 3 | 0.6 | NCCc1ccc(c(c1)O)O | 10.1021/jm00390a009 | |||
146025818 | 169865 | None | 0 | Human | Functional | pEC50 | = | 6.5 | 6.5 | 3 | 2 | ChEMBL | 429 | 2 | 0 | 5 | 4.1 | CC(=O)Oc1c(Br)cc2c(c1OC(C)=O)-c1cccc3c1[C@@H](C2)N(C)CC3 | 10.1021/acsmedchemlett.9b00575 | |||
CHEMBL4438800 | 169865 | None | 0 | Human | Functional | pEC50 | = | 6.5 | 6.5 | 3 | 2 | ChEMBL | 429 | 2 | 0 | 5 | 4.1 | CC(=O)Oc1c(Br)cc2c(c1OC(C)=O)-c1cccc3c1[C@@H](C2)N(C)CC3 | 10.1021/acsmedchemlett.9b00575 | |||
146025706 | 171727 | None | 0 | Human | Functional | pEC50 | = | 7.4 | 7.4 | - | 1 | ChEMBL | 383 | 4 | 0 | 6 | 5.3 | CCN(c1ccc(-c2c(C)ncc3nccn23)c(C)c1)c1nccc2occc12 | 10.1021/acs.jmedchem.9b00351 | |||
CHEMBL4465592 | 171727 | None | 0 | Human | Functional | pEC50 | = | 7.4 | 7.4 | - | 1 | ChEMBL | 383 | 4 | 0 | 6 | 5.3 | CCN(c1ccc(-c2c(C)ncc3nccn23)c(C)c1)c1nccc2occc12 | 10.1021/acs.jmedchem.9b00351 | |||
44555137 | 104319 | None | 0 | Human | Functional | pEC50 | = | 6.4 | 6.4 | -28 | 2 | ChEMBL | 403 | 5 | 1 | 5 | 3.9 | CCCN1C[C@H](Cn2ccc(-c3ccccc3)n2)O[C@@H]2Cc3c(O)cccc3C[C@H]21 | 10.1016/j.bmc.2013.11.012 | |||
CHEMBL3099232 | 104319 | None | 0 | Human | Functional | pEC50 | = | 6.4 | 6.4 | -28 | 2 | ChEMBL | 403 | 5 | 1 | 5 | 3.9 | CCCN1C[C@H](Cn2ccc(-c3ccccc3)n2)O[C@@H]2Cc3c(O)cccc3C[C@H]21 | 10.1016/j.bmc.2013.11.012 | |||
155537335 | 172415 | None | 0 | Human | Functional | pEC50 | = | 6.4 | 6.4 | - | 1 | ChEMBL | 388 | 2 | 1 | 6 | 3.2 | Cc1c(-c2c(C)c(=O)[nH]c(=O)n2C)ccc2c1CCN2c1nccc2occc12 | 10.1021/acsmedchemlett.9b00050 | |||
CHEMBL4475239 | 172415 | None | 0 | Human | Functional | pEC50 | = | 6.4 | 6.4 | - | 1 | ChEMBL | 388 | 2 | 1 | 6 | 3.2 | Cc1c(-c2c(C)c(=O)[nH]c(=O)n2C)ccc2c1CCN2c1nccc2occc12 | 10.1021/acsmedchemlett.9b00050 | |||
681 | 1465 | None | 47 | Human | Functional | pEC50 | = | 7.4 | 7.4 | -54 | 15 | ChEMBL | 153 | 2 | 3 | 3 | 0.6 | NCCc1ccc(c(c1)O)O | 10.1016/j.bmc.2011.07.057 | |||
681.0 | 1465 | None | 47 | Human | Functional | pEC50 | = | 7.4 | 7.4 | -54 | 15 | ChEMBL | 153 | 2 | 3 | 3 | 0.6 | NCCc1ccc(c(c1)O)O | 10.1016/j.bmc.2011.07.057 | |||
940 | 1465 | None | 47 | Human | Functional | pEC50 | = | 7.4 | 7.4 | -54 | 15 | ChEMBL | 153 | 2 | 3 | 3 | 0.6 | NCCc1ccc(c(c1)O)O | 10.1016/j.bmc.2011.07.057 | |||
947 | 1465 | None | 47 | Human | Functional | pEC50 | = | 7.4 | 7.4 | -54 | 15 | ChEMBL | 153 | 2 | 3 | 3 | 0.6 | NCCc1ccc(c(c1)O)O | 10.1016/j.bmc.2011.07.057 | |||
CHEMBL59 | 1465 | None | 47 | Human | Functional | pEC50 | = | 7.4 | 7.4 | -54 | 15 | ChEMBL | 153 | 2 | 3 | 3 | 0.6 | NCCc1ccc(c(c1)O)O | 10.1016/j.bmc.2011.07.057 | |||
DB00988 | 1465 | None | 47 | Human | Functional | pEC50 | = | 7.4 | 7.4 | -54 | 15 | ChEMBL | 153 | 2 | 3 | 3 | 0.6 | NCCc1ccc(c(c1)O)O | 10.1016/j.bmc.2011.07.057 | |||
44320002 | 107097 | None | 0 | Human | Functional | pEC50 | = | 7.4 | 7.4 | - | 1 | ChEMBL | 329 | 4 | 2 | 4 | 3.2 | C#CCN(C)C[C@@H]1OC(C2CCCCC2)Cc2c1ccc(O)c2O | 10.1021/jm00112a034 | |||
CHEMBL315535 | 107097 | None | 0 | Human | Functional | pEC50 | = | 7.4 | 7.4 | - | 1 | ChEMBL | 329 | 4 | 2 | 4 | 3.2 | C#CCN(C)C[C@@H]1OC(C2CCCCC2)Cc2c1ccc(O)c2O | 10.1021/jm00112a034 | |||
44276556 | 99756 | None | 0 | Human | Functional | pEC50 | = | 7.4 | 7.4 | - | 1 | ChEMBL | 268 | 0 | 3 | 4 | 2.0 | Oc1cc2c(cc1O)[C@H]1c3ccncc3CN[C@@H]1CC2 | 10.1016/s0960-894x(99)00214-0 | |||
CHEMBL284644 | 99756 | None | 0 | Human | Functional | pEC50 | = | 7.4 | 7.4 | - | 1 | ChEMBL | 268 | 0 | 3 | 4 | 2.0 | Oc1cc2c(cc1O)[C@H]1c3ccncc3CN[C@@H]1CC2 | 10.1016/s0960-894x(99)00214-0 | |||
146025814 | 172882 | None | 0 | Human | Functional | pEC50 | = | 6.4 | 6.4 | 6 | 2 | ChEMBL | 373 | 2 | 0 | 3 | 4.2 | COc1ccc2c(c1OC)-c1ccc(Br)c3c1[C@H](C2)N(C)CC3 | 10.1021/acsmedchemlett.9b00575 | |||
CHEMBL4513262 | 172882 | None | 0 | Human | Functional | pEC50 | = | 6.4 | 6.4 | 6 | 2 | ChEMBL | 373 | 2 | 0 | 3 | 4.2 | COc1ccc2c(c1OC)-c1ccc(Br)c3c1[C@H](C2)N(C)CC3 | 10.1021/acsmedchemlett.9b00575 | |||
6852376 | 91633 | None | 9 | Human | Functional | pEC50 | = | 6.4 | 6.4 | -1 | 4 | ChEMBL | 255 | 1 | 3 | 3 | 2.4 | Oc1cc2c(cc1O)[C@@H](c1ccccc1)CNCC2 | 10.1021/jm00112a034 | |||
CHEMBL1467585 | 91633 | None | 9 | Human | Functional | pEC50 | = | 6.4 | 6.4 | -1 | 4 | ChEMBL | 255 | 1 | 3 | 3 | 2.4 | Oc1cc2c(cc1O)[C@@H](c1ccccc1)CNCC2 | 10.1021/jm00112a034 | |||
CHEMBL24077 | 91633 | None | 9 | Human | Functional | pEC50 | = | 6.4 | 6.4 | -1 | 4 | ChEMBL | 255 | 1 | 3 | 3 | 2.4 | Oc1cc2c(cc1O)[C@@H](c1ccccc1)CNCC2 | 10.1021/jm00112a034 | |||
CHEMBL503958 | 91633 | None | 9 | Human | Functional | pEC50 | = | 6.4 | 6.4 | -1 | 4 | ChEMBL | 255 | 1 | 3 | 3 | 2.4 | Oc1cc2c(cc1O)[C@@H](c1ccccc1)CNCC2 | 10.1021/jm00112a034 | |||
1242 | 3613 | None | 17 | Human | Functional | pEC50 | = | 6.4 | 6.4 | 1 | 3 | ChEMBL | 255 | 1 | 3 | 3 | 2.4 | Oc1cc2CCNCC(c2cc1O)c1ccccc1 | 10.1021/jm00173a005 | |||
935 | 3613 | None | 17 | Human | Functional | pEC50 | = | 6.4 | 6.4 | 1 | 3 | ChEMBL | 255 | 1 | 3 | 3 | 2.4 | Oc1cc2CCNCC(c2cc1O)c1ccccc1 | 10.1021/jm00173a005 | |||
CHEMBL286080 | 3613 | None | 17 | Human | Functional | pEC50 | = | 6.4 | 6.4 | 1 | 3 | ChEMBL | 255 | 1 | 3 | 3 | 2.4 | Oc1cc2CCNCC(c2cc1O)c1ccccc1 | 10.1021/jm00173a005 | |||
146025814 | 172882 | None | 0 | Human | Functional | pEC50 | = | 6.4 | 6.4 | 6 | 2 | ChEMBL | 373 | 2 | 0 | 3 | 4.2 | COc1ccc2c(c1OC)-c1ccc(Br)c3c1[C@H](C2)N(C)CC3 | 10.1021/acsmedchemlett.9b00575 | |||
CHEMBL4513262 | 172882 | None | 0 | Human | Functional | pEC50 | = | 6.4 | 6.4 | 6 | 2 | ChEMBL | 373 | 2 | 0 | 3 | 4.2 | COc1ccc2c(c1OC)-c1ccc(Br)c3c1[C@H](C2)N(C)CC3 | 10.1021/acsmedchemlett.9b00575 | |||
10540201 | 100283 | None | 0 | Goldfish | Functional | pEC50 | = | 7.4 | 7.4 | - | 1 | ChEMBL | 273 | 0 | 3 | 4 | 2.7 | Oc1cc2c(cc1O)[C@@H]1c3sccc3CN[C@H]1CC2 | 10.1021/jm970038v | |||
CHEMBL288536 | 100283 | None | 0 | Goldfish | Functional | pEC50 | = | 7.4 | 7.4 | - | 1 | ChEMBL | 273 | 0 | 3 | 4 | 2.7 | Oc1cc2c(cc1O)[C@@H]1c3sccc3CN[C@H]1CC2 | 10.1021/jm970038v | |||
681 | 1465 | None | 47 | Human | Functional | pEC50 | = | 7.4 | 7.4 | -54 | 15 | ChEMBL | 153 | 2 | 3 | 3 | 0.6 | NCCc1ccc(c(c1)O)O | 10.1016/j.bmc.2013.11.012 | |||
681.0 | 1465 | None | 47 | Human | Functional | pEC50 | = | 7.4 | 7.4 | -54 | 15 | ChEMBL | 153 | 2 | 3 | 3 | 0.6 | NCCc1ccc(c(c1)O)O | 10.1016/j.bmc.2013.11.012 | |||
940 | 1465 | None | 47 | Human | Functional | pEC50 | = | 7.4 | 7.4 | -54 | 15 | ChEMBL | 153 | 2 | 3 | 3 | 0.6 | NCCc1ccc(c(c1)O)O | 10.1016/j.bmc.2013.11.012 | |||
947 | 1465 | None | 47 | Human | Functional | pEC50 | = | 7.4 | 7.4 | -54 | 15 | ChEMBL | 153 | 2 | 3 | 3 | 0.6 | NCCc1ccc(c(c1)O)O | 10.1016/j.bmc.2013.11.012 | |||
CHEMBL59 | 1465 | None | 47 | Human | Functional | pEC50 | = | 7.4 | 7.4 | -54 | 15 | ChEMBL | 153 | 2 | 3 | 3 | 0.6 | NCCc1ccc(c(c1)O)O | 10.1016/j.bmc.2013.11.012 | |||
DB00988 | 1465 | None | 47 | Human | Functional | pEC50 | = | 7.4 | 7.4 | -54 | 15 | ChEMBL | 153 | 2 | 3 | 3 | 0.6 | NCCc1ccc(c(c1)O)O | 10.1016/j.bmc.2013.11.012 | |||
44320267 | 208670 | None | 0 | Rat | Functional | pEC50 | = | 7.4 | 7.4 | -1 | 2 | ChEMBL | 301 | 4 | 3 | 5 | 2.1 | NC[C@@H]1OC(COc2ccccc2)Cc2c1ccc(O)c2O | 10.1021/jm00112a034 | |||
CHEMBL86576 | 208670 | None | 0 | Rat | Functional | pEC50 | = | 7.4 | 7.4 | -1 | 2 | ChEMBL | 301 | 4 | 3 | 5 | 2.1 | NC[C@@H]1OC(COc2ccccc2)Cc2c1ccc(O)c2O | 10.1021/jm00112a034 | |||
44555138 | 104320 | None | 0 | Human | Functional | pEC50 | = | 5.4 | 5.4 | -117 | 2 | ChEMBL | 403 | 5 | 1 | 5 | 3.9 | CCCN1C[C@@H](Cn2ccc(-c3ccccc3)n2)O[C@@H]2Cc3c(O)cccc3C[C@H]21 | 10.1016/j.bmc.2013.11.012 | |||
CHEMBL3099233 | 104320 | None | 0 | Human | Functional | pEC50 | = | 5.4 | 5.4 | -117 | 2 | ChEMBL | 403 | 5 | 1 | 5 | 3.9 | CCCN1C[C@@H](Cn2ccc(-c3ccccc3)n2)O[C@@H]2Cc3c(O)cccc3C[C@H]21 | 10.1016/j.bmc.2013.11.012 | |||
49866139 | 16259 | None | 0 | Human | Functional | pEC50 | = | 8.4 | 8.4 | - | 1 | ChEMBL | 269 | 0 | 3 | 4 | 2.1 | Oc1cc2c(cc1O)[C@H]1c3ccccc3CN[C@H]1CO2 | 10.1016/j.bmc.2010.07.052 | |||
CHEMBL1224452 | 16259 | None | 0 | Human | Functional | pEC50 | = | 8.4 | 8.4 | - | 1 | ChEMBL | 269 | 0 | 3 | 4 | 2.1 | Oc1cc2c(cc1O)[C@H]1c3ccccc3CN[C@H]1CO2 | 10.1016/j.bmc.2010.07.052 | |||
1218 | 3616 | None | 23 | Human | Functional | pEC50 | = | 8.3 | 8.3 | -295 | 4 | ChEMBL | 289 | 1 | 3 | 3 | 3.0 | Oc1c(O)cc2c(c1Cl)CCNCC2c1ccccc1 | 10.1021/acsmedchemlett.9b00050 | |||
938 | 3616 | None | 23 | Human | Functional | pEC50 | = | 8.3 | 8.3 | -295 | 4 | ChEMBL | 289 | 1 | 3 | 3 | 3.0 | Oc1c(O)cc2c(c1Cl)CCNCC2c1ccccc1 | 10.1021/acsmedchemlett.9b00050 | |||
CHEMBL353335 | 3616 | None | 23 | Human | Functional | pEC50 | = | 8.3 | 8.3 | -295 | 4 | ChEMBL | 289 | 1 | 3 | 3 | 3.0 | Oc1c(O)cc2c(c1Cl)CCNCC2c1ccccc1 | 10.1021/acsmedchemlett.9b00050 | |||
44554987 | 104323 | None | 0 | Human | Functional | pEC50 | = | 6.4 | 6.4 | -114 | 2 | ChEMBL | 361 | 4 | 1 | 5 | 2.9 | CCCN1C[C@@H](Cn2cc(Cl)cn2)O[C@@H]2Cc3c(O)cccc3C[C@H]21 | 10.1016/j.bmc.2013.11.012 | |||
CHEMBL3099239 | 104323 | None | 0 | Human | Functional | pEC50 | = | 6.4 | 6.4 | -114 | 2 | ChEMBL | 361 | 4 | 1 | 5 | 2.9 | CCCN1C[C@@H](Cn2cc(Cl)cn2)O[C@@H]2Cc3c(O)cccc3C[C@H]21 | 10.1016/j.bmc.2013.11.012 | |||
13720694 | 12977 | None | 1 | Rat | Functional | pEC50 | = | 6.4 | 6.4 | - | 1 | ChEMBL | 325 | 3 | 3 | 4 | 3.3 | C=CCN1CCc2c(cc(O)c(O)c2C)C(c2ccc(O)cc2)C1 | 10.1021/jm00384a006 | |||
CHEMBL1189465 | 12977 | None | 1 | Rat | Functional | pEC50 | = | 6.4 | 6.4 | - | 1 | ChEMBL | 325 | 3 | 3 | 4 | 3.3 | C=CCN1CCc2c(cc(O)c(O)c2C)C(c2ccc(O)cc2)C1 | 10.1021/jm00384a006 | |||
CHEMBL538785 | 12977 | None | 1 | Rat | Functional | pEC50 | = | 6.4 | 6.4 | - | 1 | ChEMBL | 325 | 3 | 3 | 4 | 3.3 | C=CCN1CCc2c(cc(O)c(O)c2C)C(c2ccc(O)cc2)C1 | 10.1021/jm00384a006 | |||
13720690 | 13095 | None | 0 | Rat | Functional | pEC50 | = | 6.4 | 6.4 | -1 | 2 | ChEMBL | 311 | 3 | 3 | 4 | 3.0 | C=CCN1CCc2cc(O)c(O)cc2C(c2ccc(O)cc2)C1 | 10.1021/jm00384a006 | |||
CHEMBL1190300 | 13095 | None | 0 | Rat | Functional | pEC50 | = | 6.4 | 6.4 | -1 | 2 | ChEMBL | 311 | 3 | 3 | 4 | 3.0 | C=CCN1CCc2cc(O)c(O)cc2C(c2ccc(O)cc2)C1 | 10.1021/jm00384a006 | |||
CHEMBL540575 | 13095 | None | 0 | Rat | Functional | pEC50 | = | 6.4 | 6.4 | -1 | 2 | ChEMBL | 311 | 3 | 3 | 4 | 3.0 | C=CCN1CCc2cc(O)c(O)cc2C(c2ccc(O)cc2)C1 | 10.1021/jm00384a006 | |||
155521159 | 170634 | None | 0 | Human | Functional | pEC50 | = | 6.4 | 6.4 | - | 1 | ChEMBL | 374 | 2 | 1 | 6 | 2.9 | Cc1c(-c2ccc3c(c2)CCN3c2nccc3occc23)n(C)c(=O)[nH]c1=O | 10.1021/acsmedchemlett.9b00050 | |||
CHEMBL4449782 | 170634 | None | 0 | Human | Functional | pEC50 | = | 6.4 | 6.4 | - | 1 | ChEMBL | 374 | 2 | 1 | 6 | 2.9 | Cc1c(-c2ccc3c(c2)CCN3c2nccc3occc23)n(C)c(=O)[nH]c1=O | 10.1021/acsmedchemlett.9b00050 | |||
6917970 | 3691 | None | 40 | Rat | Functional | pEC50 | = | 4.4 | 4.4 | -2454 | 3 | ChEMBL | 327 | 2 | 2 | 5 | 2.8 | COc1cc2CCN3[C@H](c2cc1O)Cc1c(C3)c(OC)c(cc1)O | 10.1016/j.bmc.2012.05.057 | |||
8370 | 3691 | None | 40 | Rat | Functional | pEC50 | = | 4.4 | 4.4 | -2454 | 3 | ChEMBL | 327 | 2 | 2 | 5 | 2.8 | COc1cc2CCN3[C@H](c2cc1O)Cc1c(C3)c(OC)c(cc1)O | 10.1016/j.bmc.2012.05.057 | |||
CHEMBL487387 | 3691 | None | 40 | Rat | Functional | pEC50 | = | 4.4 | 4.4 | -2454 | 3 | ChEMBL | 327 | 2 | 2 | 5 | 2.8 | COc1cc2CCN3[C@H](c2cc1O)Cc1c(C3)c(OC)c(cc1)O | 10.1016/j.bmc.2012.05.057 | |||
90134304 | 166609 | None | 2 | Human | Functional | pEC50 | = | 6.4 | 6.4 | - | 1 | ChEMBL | 356 | 3 | 0 | 6 | 5.0 | Cc1cc(Oc2nccc3occc23)ccc1-n1c(C)nc2cnccc21 | 10.1021/acs.jmedchem.8b01622 | |||
CHEMBL4278861 | 166609 | None | 2 | Human | Functional | pEC50 | = | 6.4 | 6.4 | - | 1 | ChEMBL | 356 | 3 | 0 | 6 | 5.0 | Cc1cc(Oc2nccc3occc23)ccc1-n1c(C)nc2cnccc21 | 10.1021/acs.jmedchem.8b01622 | |||
85090339 | 182411 | None | 0 | Human | Functional | pEC50 | = | 6.4 | 6.4 | -8 | 2 | ChEMBL | 393 | 3 | 0 | 5 | 4.1 | CC(C)Cc1nc2c(c(=O)c3ccccc3n2C)c(=O)n1-c1cccc(Cl)c1 | 10.1016/j.bmcl.2020.127696 | |||
CHEMBL4784143 | 182411 | None | 0 | Human | Functional | pEC50 | = | 6.4 | 6.4 | -8 | 2 | ChEMBL | 393 | 3 | 0 | 5 | 4.1 | CC(C)Cc1nc2c(c(=O)c3ccccc3n2C)c(=O)n1-c1cccc(Cl)c1 | 10.1016/j.bmcl.2020.127696 | |||
10518837 | 100527 | None | 0 | Goldfish | Functional | pEC50 | = | 7.4 | 7.4 | - | 1 | ChEMBL | 307 | 0 | 3 | 4 | 3.4 | Oc1cc2c(cc1O)[C@@H]1c3sc(Cl)cc3CN[C@H]1CC2 | 10.1021/jm970038v | |||
CHEMBL290842 | 100527 | None | 0 | Goldfish | Functional | pEC50 | = | 7.4 | 7.4 | - | 1 | ChEMBL | 307 | 0 | 3 | 4 | 3.4 | Oc1cc2c(cc1O)[C@@H]1c3sc(Cl)cc3CN[C@H]1CC2 | 10.1021/jm970038v | |||
76284418 | 182424 | None | 0 | Human | Functional | pEC50 | = | 7.4 | 7.4 | -1 | 2 | ChEMBL | 371 | 2 | 0 | 5 | 3.9 | Cn1c2ccccc2c(=O)c2c(=O)n(-c3ccccc3)c(C3CCCC3)nc21 | 10.1016/j.bmcl.2020.127696 | |||
CHEMBL4784295 | 182424 | None | 0 | Human | Functional | pEC50 | = | 7.4 | 7.4 | -1 | 2 | ChEMBL | 371 | 2 | 0 | 5 | 3.9 | Cn1c2ccccc2c(=O)c2c(=O)n(-c3ccccc3)c(C3CCCC3)nc21 | 10.1016/j.bmcl.2020.127696 | |||
85090320 | 182669 | None | 0 | Human | Functional | pEC50 | = | 6.4 | 6.4 | -10 | 2 | ChEMBL | 433 | 3 | 0 | 5 | 5.0 | Cn1c2ccccc2c(=O)c2c(=O)n(-c3ccc(Cl)cc3)c(CC3CCCCC3)nc21 | 10.1016/j.bmcl.2020.127696 | |||
CHEMBL4787728 | 182669 | None | 0 | Human | Functional | pEC50 | = | 6.4 | 6.4 | -10 | 2 | ChEMBL | 433 | 3 | 0 | 5 | 5.0 | Cn1c2ccccc2c(=O)c2c(=O)n(-c3ccc(Cl)cc3)c(CC3CCCCC3)nc21 | 10.1016/j.bmcl.2020.127696 | |||
53494980 | 66515 | None | 0 | Human | Functional | pEC50 | = | 6.4 | 6.4 | - | 1 | ChEMBL | 281 | 0 | 3 | 3 | 2.7 | Oc1cc2c(cc1O)[C@H]1c3ccccc3CC[C@@H]1NCC2 | 10.1016/j.bmc.2011.07.057 | |||
CHEMBL1822918 | 66515 | None | 0 | Human | Functional | pEC50 | = | 6.4 | 6.4 | - | 1 | ChEMBL | 281 | 0 | 3 | 3 | 2.7 | Oc1cc2c(cc1O)[C@H]1c3ccccc3CC[C@@H]1NCC2 | 10.1016/j.bmc.2011.07.057 | |||
CHEMBL1852340 | 66515 | None | 0 | Human | Functional | pEC50 | = | 6.4 | 6.4 | - | 1 | ChEMBL | 281 | 0 | 3 | 3 | 2.7 | Oc1cc2c(cc1O)[C@H]1c3ccccc3CC[C@@H]1NCC2 | 10.1016/j.bmc.2011.07.057 | |||
10830234 | 100431 | None | 0 | Goldfish | Functional | pEC50 | = | 7.4 | 7.4 | - | 1 | ChEMBL | 329 | 3 | 3 | 4 | 4.1 | CCCCc1cc2c(s1)[C@H]1c3cc(O)c(O)cc3CC[C@@H]1NC2 | 10.1021/jm970038v | |||
CHEMBL289867 | 100431 | None | 0 | Goldfish | Functional | pEC50 | = | 7.4 | 7.4 | - | 1 | ChEMBL | 329 | 3 | 3 | 4 | 4.1 | CCCCc1cc2c(s1)[C@H]1c3cc(O)c(O)cc3CC[C@@H]1NC2 | 10.1021/jm970038v | |||
681 | 1465 | None | 47 | Human | Functional | pEC50 | = | 7.4 | 7.4 | -54 | 15 | ChEMBL | 153 | 2 | 3 | 3 | 0.6 | NCCc1ccc(c(c1)O)O | 10.1021/acsmedchemlett.9b00050 | |||
681.0 | 1465 | None | 47 | Human | Functional | pEC50 | = | 7.4 | 7.4 | -54 | 15 | ChEMBL | 153 | 2 | 3 | 3 | 0.6 | NCCc1ccc(c(c1)O)O | 10.1021/acsmedchemlett.9b00050 | |||
940 | 1465 | None | 47 | Human | Functional | pEC50 | = | 7.4 | 7.4 | -54 | 15 | ChEMBL | 153 | 2 | 3 | 3 | 0.6 | NCCc1ccc(c(c1)O)O | 10.1021/acsmedchemlett.9b00050 | |||
947 | 1465 | None | 47 | Human | Functional | pEC50 | = | 7.4 | 7.4 | -54 | 15 | ChEMBL | 153 | 2 | 3 | 3 | 0.6 | NCCc1ccc(c(c1)O)O | 10.1021/acsmedchemlett.9b00050 | |||
CHEMBL59 | 1465 | None | 47 | Human | Functional | pEC50 | = | 7.4 | 7.4 | -54 | 15 | ChEMBL | 153 | 2 | 3 | 3 | 0.6 | NCCc1ccc(c(c1)O)O | 10.1021/acsmedchemlett.9b00050 | |||
DB00988 | 1465 | None | 47 | Human | Functional | pEC50 | = | 7.4 | 7.4 | -54 | 15 | ChEMBL | 153 | 2 | 3 | 3 | 0.6 | NCCc1ccc(c(c1)O)O | 10.1021/acsmedchemlett.9b00050 | |||
86302251 | 172958 | None | 0 | Human | Functional | pEC50 | = | 6.4 | 6.4 | - | 1 | ChEMBL | 448 | 4 | 1 | 5 | 3.5 | CN(Cc1nc2cc(Br)ccc2[nH]1)C(=O)Cn1c(=O)oc2ccc(Cl)cc21 | 10.1021/acs.jmedchem.8b01767 | |||
CHEMBL4514994 | 172958 | None | 0 | Human | Functional | pEC50 | = | 6.4 | 6.4 | - | 1 | ChEMBL | 448 | 4 | 1 | 5 | 3.5 | CN(Cc1nc2cc(Br)ccc2[nH]1)C(=O)Cn1c(=O)oc2ccc(Cl)cc21 | 10.1021/acs.jmedchem.8b01767 | |||
155549423 | 173917 | None | 0 | Human | Functional | pEC50 | = | 6.4 | 6.4 | - | 1 | ChEMBL | 349 | 3 | 2 | 7 | 2.3 | Cc1c(-c2ccc(Nc3nccc4occc34)nc2)n(C)c(=O)[nH]c1=O | 10.1021/acsmedchemlett.9b00050 | |||
CHEMBL4538358 | 173917 | None | 0 | Human | Functional | pEC50 | = | 6.4 | 6.4 | - | 1 | ChEMBL | 349 | 3 | 2 | 7 | 2.3 | Cc1c(-c2ccc(Nc3nccc4occc34)nc2)n(C)c(=O)[nH]c1=O | 10.1021/acsmedchemlett.9b00050 | |||
44320327 | 163519 | None | 0 | Human | Functional | pEC50 | = | 7.3 | 7.3 | -1 | 2 | ChEMBL | 317 | 5 | 3 | 4 | 3.4 | C=CCNC[C@@H]1OC(C2CCCCC2)Cc2c1ccc(O)c2O | 10.1021/jm00112a034 | |||
CHEMBL419680 | 163519 | None | 0 | Human | Functional | pEC50 | = | 7.3 | 7.3 | -1 | 2 | ChEMBL | 317 | 5 | 3 | 4 | 3.4 | C=CCNC[C@@H]1OC(C2CCCCC2)Cc2c1ccc(O)c2O | 10.1021/jm00112a034 | |||
85470885 | 174764 | None | 1 | Human | Functional | pEC50 | = | 6.3 | 6.3 | - | 1 | ChEMBL | 438 | 4 | 1 | 5 | 3.8 | CN(Cc1nc2cc(C(F)(F)F)ccc2[nH]1)C(=O)Cn1c(=O)oc2ccc(Cl)cc21 | 10.1021/acs.jmedchem.8b01767 | |||
CHEMBL4558647 | 174764 | None | 1 | Human | Functional | pEC50 | = | 6.3 | 6.3 | - | 1 | ChEMBL | 438 | 4 | 1 | 5 | 3.8 | CN(Cc1nc2cc(C(F)(F)F)ccc2[nH]1)C(=O)Cn1c(=O)oc2ccc(Cl)cc21 | 10.1021/acs.jmedchem.8b01767 | |||
10081286 | 98828 | None | 0 | Rat | Functional | pEC50 | = | 5.3 | 5.3 | 1 | 2 | ChEMBL | 192 | 2 | 3 | 3 | 0.4 | NCCc1ccc(O)c2c1CC(=O)N2 | 10.1021/jm00390a009 | |||
CHEMBL278188 | 98828 | None | 0 | Rat | Functional | pEC50 | = | 5.3 | 5.3 | 1 | 2 | ChEMBL | 192 | 2 | 3 | 3 | 0.4 | NCCc1ccc(O)c2c1CC(=O)N2 | 10.1021/jm00390a009 | |||
10588326 | 158958 | None | 0 | Goldfish | Functional | pEC50 | = | 7.3 | 7.3 | - | 1 | ChEMBL | 273 | 0 | 3 | 4 | 2.7 | Oc1cc2c(cc1O)[C@@H]1c3ccsc3CN[C@H]1CC2 | 10.1021/jm970038v | |||
CHEMBL40950 | 158958 | None | 0 | Goldfish | Functional | pEC50 | = | 7.3 | 7.3 | - | 1 | ChEMBL | 273 | 0 | 3 | 4 | 2.7 | Oc1cc2c(cc1O)[C@@H]1c3ccsc3CN[C@H]1CC2 | 10.1021/jm970038v | |||
10831251 | 163268 | None | 0 | Goldfish | Functional | pEC50 | = | 6.3 | 6.3 | - | 1 | ChEMBL | 343 | 3 | 3 | 4 | 4.3 | CC(C)CCc1cc2c(s1)CN[C@H]1CCc3cc(O)c(O)cc3[C@H]21 | 10.1021/jm970038v | |||
CHEMBL41809 | 163268 | None | 0 | Goldfish | Functional | pEC50 | = | 6.3 | 6.3 | - | 1 | ChEMBL | 343 | 3 | 3 | 4 | 4.3 | CC(C)CCc1cc2c(s1)CN[C@H]1CCc3cc(O)c(O)cc3[C@H]21 | 10.1021/jm970038v | |||
13864380 | 208890 | None | 1 | Human | Functional | pEC50 | = | 6.3 | 6.3 | 5 | 2 | ChEMBL | 195 | 1 | 3 | 4 | 0.7 | NC[C@@H]1OCCc2c1ccc(O)c2O | 10.1021/jm00112a034 | |||
CHEMBL87958 | 208890 | None | 1 | Human | Functional | pEC50 | = | 6.3 | 6.3 | 5 | 2 | ChEMBL | 195 | 1 | 3 | 4 | 0.7 | NC[C@@H]1OCCc2c1ccc(O)c2O | 10.1021/jm00112a034 | |||
13864381 | 210803 | None | 1 | Human | Functional | pEC50 | = | 6.3 | 6.3 | 5 | 3 | ChEMBL | 195 | 1 | 3 | 4 | 0.7 | NCC1OCCc2c1ccc(O)c2O | 10.1021/jm00173a005 | |||
CHEMBL542683 | 210803 | None | 1 | Human | Functional | pEC50 | = | 6.3 | 6.3 | 5 | 3 | ChEMBL | 195 | 1 | 3 | 4 | 0.7 | NCC1OCCc2c1ccc(O)c2O | 10.1021/jm00173a005 | |||
CHEMBL99361 | 210803 | None | 1 | Human | Functional | pEC50 | = | 6.3 | 6.3 | 5 | 3 | ChEMBL | 195 | 1 | 3 | 4 | 0.7 | NCC1OCCc2c1ccc(O)c2O | 10.1021/jm00173a005 | |||
44331310 | 107422 | None | 0 | Rat | Functional | pEC50 | = | 6.3 | 6.3 | - | 1 | ChEMBL | 329 | 3 | 2 | 3 | 3.9 | C=CCN1CCc2c(cc(O)c(O)c2Cl)[C@@H](c2ccccc2)C1 | 10.1021/jm9502100 | |||
CHEMBL317741 | 107422 | None | 0 | Rat | Functional | pEC50 | = | 6.3 | 6.3 | - | 1 | ChEMBL | 329 | 3 | 2 | 3 | 3.9 | C=CCN1CCc2c(cc(O)c(O)c2Cl)[C@@H](c2ccccc2)C1 | 10.1021/jm9502100 | |||
168291403 | 192115 | None | 0 | Human | Functional | pEC50 | = | 5.3 | 5.3 | - | 1 | ChEMBL | 281 | 4 | 1 | 3 | 2.3 | NS(=O)(=O)c1ccc(-c2ccccc2OCF)cc1 | 10.1021/acs.jmedchem.2c00949 | |||
CHEMBL5201584 | 192115 | None | 0 | Human | Functional | pEC50 | = | 5.3 | 5.3 | - | 1 | ChEMBL | 281 | 4 | 1 | 3 | 2.3 | NS(=O)(=O)c1ccc(-c2ccccc2OCF)cc1 | 10.1021/acs.jmedchem.2c00949 | |||
71563084 | 87605 | None | 0 | Human | Functional | pEC50 | = | 8.3 | 8.3 | 1 | 2 | ChEMBL | 409 | 3 | 2 | 5 | 3.9 | COc1cc2c(cc1O)[C@H]1C[C@@](O)(c3ccc(OC(F)(F)F)cc3)CCN1CC2 | 10.1016/j.bmcl.2012.12.046 | |||
CHEMBL2335736 | 87605 | None | 0 | Human | Functional | pEC50 | = | 8.3 | 8.3 | 1 | 2 | ChEMBL | 409 | 3 | 2 | 5 | 3.9 | COc1cc2c(cc1O)[C@H]1C[C@@](O)(c3ccc(OC(F)(F)F)cc3)CCN1CC2 | 10.1016/j.bmcl.2012.12.046 | |||
64638 | 106197 | None | 1 | Human | Functional | pEC50 | = | 8.3 | 8.3 | 1 | 2 | ChEMBL | 329 | 2 | 3 | 4 | 3.3 | NC[C@@H]1OC(C23C[C@H]4C[C@@H](C2)C[C@@H](C3)C4)Cc2c1ccc(O)c2O | 10.1021/jm00112a034 | |||
CHEMBL313530 | 106197 | None | 1 | Human | Functional | pEC50 | = | 8.3 | 8.3 | 1 | 2 | ChEMBL | 329 | 2 | 3 | 4 | 3.3 | NC[C@@H]1OC(C23C[C@H]4C[C@@H](C2)C[C@@H](C3)C4)Cc2c1ccc(O)c2O | 10.1021/jm00112a034 | |||
6603703 | 208 | None | 8 | Rat | Functional | pEC50 | = | 8.3 | 8.3 | -1 | 18 | ChEMBL | 329 | 2 | 3 | 4 | 3.3 | NC[C@@H]1O[C@@H](Cc2c1ccc(c2O)O)C12CC3CC(C2)CC(C1)C3 | 10.1021/jm9502100 | |||
9637 | 208 | None | 8 | Rat | Functional | pEC50 | = | 8.3 | 8.3 | -1 | 18 | ChEMBL | 329 | 2 | 3 | 4 | 3.3 | NC[C@@H]1O[C@@H](Cc2c1ccc(c2O)O)C12CC3CC(C2)CC(C1)C3 | 10.1021/jm9502100 | |||
CHEMBL291143 | 208 | None | 8 | Rat | Functional | pEC50 | = | 8.3 | 8.3 | -1 | 18 | ChEMBL | 329 | 2 | 3 | 4 | 3.3 | NC[C@@H]1O[C@@H](Cc2c1ccc(c2O)O)C12CC3CC(C2)CC(C1)C3 | 10.1021/jm9502100 | |||
44320001 | 208474 | None | 0 | Human | Functional | pEC50 | = | 8.3 | 8.3 | 3 | 2 | ChEMBL | 299 | 4 | 3 | 4 | 2.7 | NC[C@@H]1OC(CCc2ccccc2)Cc2c1ccc(O)c2O | 10.1021/jm00112a034 | |||
CHEMBL84983 | 208474 | None | 0 | Human | Functional | pEC50 | = | 8.3 | 8.3 | 3 | 2 | ChEMBL | 299 | 4 | 3 | 4 | 2.7 | NC[C@@H]1OC(CCc2ccccc2)Cc2c1ccc(O)c2O | 10.1021/jm00112a034 | |||
86764103 | 132505 | None | 15 | Human | Functional | pEC50 | = | 8.3 | 8.3 | 2 | 2 | ChEMBL | 389 | 5 | 1 | 6 | 3.1 | Cc1cc(Oc2ncccc2OC(F)F)ccc1-c1c(C)c(=O)[nH]c(=O)n1C | 10.1021/acsmedchemlett.9b00050 | |||
CHEMBL3697578 | 132505 | None | 15 | Human | Functional | pEC50 | = | 8.3 | 8.3 | 2 | 2 | ChEMBL | 389 | 5 | 1 | 6 | 3.1 | Cc1cc(Oc2ncccc2OC(F)F)ccc1-c1c(C)c(=O)[nH]c(=O)n1C | 10.1021/acsmedchemlett.9b00050 | |||
6453963 | 71563 | None | 7 | Human | Functional | pEC50 | = | 8.3 | 8.3 | 10000 | 2 | ChEMBL | 327 | 2 | 2 | 5 | 2.8 | COc1cc2c(cc1O)CN1CCc3cc(OC)c(O)cc3[C@@H]1C2 | 10.1016/j.bmcl.2012.01.005 | |||
CHEMBL1950491 | 71563 | None | 7 | Human | Functional | pEC50 | = | 8.3 | 8.3 | 10000 | 2 | ChEMBL | 327 | 2 | 2 | 5 | 2.8 | COc1cc2c(cc1O)CN1CCc3cc(OC)c(O)cc3[C@@H]1C2 | 10.1016/j.bmcl.2012.01.005 | |||
CHEMBL1962947 | 71563 | None | 7 | Human | Functional | pEC50 | = | 8.3 | 8.3 | 10000 | 2 | ChEMBL | 327 | 2 | 2 | 5 | 2.8 | COc1cc2c(cc1O)CN1CCc3cc(OC)c(O)cc3[C@@H]1C2 | 10.1016/j.bmcl.2012.01.005 | |||
130442590 | 169902 | None | 0 | Human | Functional | pEC50 | = | 8.2 | 8.2 | - | 1 | ChEMBL | 356 | 3 | 0 | 6 | 4.9 | Cc1cc(Oc2nccc3occc23)ccc1-c1c(C)nc2cnccn12 | 10.1021/acs.jmedchem.9b00351 | |||
CHEMBL4439333 | 169902 | None | 0 | Human | Functional | pEC50 | = | 8.2 | 8.2 | - | 1 | ChEMBL | 356 | 3 | 0 | 6 | 4.9 | Cc1cc(Oc2nccc3occc23)ccc1-c1c(C)nc2cnccn12 | 10.1021/acs.jmedchem.9b00351 | |||
130442590 | 169902 | None | 0 | Human | Functional | pEC50 | = | 8.2 | 8.2 | - | 1 | ChEMBL | 356 | 3 | 0 | 6 | 4.9 | Cc1cc(Oc2nccc3occc23)ccc1-c1c(C)nc2cnccn12 | 10.1021/acs.jmedchem.9b00351 | |||
CHEMBL4439333 | 169902 | None | 0 | Human | Functional | pEC50 | = | 8.2 | 8.2 | - | 1 | ChEMBL | 356 | 3 | 0 | 6 | 4.9 | Cc1cc(Oc2nccc3occc23)ccc1-c1c(C)nc2cnccn12 | 10.1021/acs.jmedchem.9b00351 | |||
44320026 | 208557 | None | 0 | Human | Functional | pEC50 | = | 8.2 | 8.2 | 131 | 2 | ChEMBL | 305 | 2 | 3 | 4 | 3.4 | NC[C@@H]1OC(C2CCCCCCC2)Cc2c1ccc(O)c2O | 10.1021/jm00112a034 | |||
CHEMBL85689 | 208557 | None | 0 | Human | Functional | pEC50 | = | 8.2 | 8.2 | 131 | 2 | ChEMBL | 305 | 2 | 3 | 4 | 3.4 | NC[C@@H]1OC(C2CCCCCCC2)Cc2c1ccc(O)c2O | 10.1021/jm00112a034 | |||
117720272 | 118878 | None | 5 | Human | Functional | pEC50 | = | 8.2 | 8.2 | 18 | 3 | ChEMBL | 421 | 4 | 2 | 3 | 4.3 | C[C@H]1c2cccc(C(C)(C)O)c2C[C@H](CO)N1C(=O)Cc1c(Cl)cccc1Cl | 10.1021/acs.jmedchem.8b01767 | |||
CHEMBL3421730 | 118878 | None | 5 | Human | Functional | pEC50 | = | 8.2 | 8.2 | 18 | 3 | ChEMBL | 421 | 4 | 2 | 3 | 4.3 | C[C@H]1c2cccc(C(C)(C)O)c2C[C@H](CO)N1C(=O)Cc1c(Cl)cccc1Cl | 10.1021/acs.jmedchem.8b01767 | |||
10851849 | 170036 | None | 0 | Goldfish | Functional | pEC50 | = | 7.3 | 7.3 | - | 1 | ChEMBL | 301 | 1 | 3 | 4 | 3.3 | CCc1cc2c(s1)[C@H]1c3cc(O)c(O)cc3CC[C@@H]1NC2 | 10.1021/jm970038v | |||
CHEMBL44414 | 170036 | None | 0 | Goldfish | Functional | pEC50 | = | 7.3 | 7.3 | - | 1 | ChEMBL | 301 | 1 | 3 | 4 | 3.3 | CCc1cc2c(s1)[C@H]1c3cc(O)c(O)cc3CC[C@@H]1NC2 | 10.1021/jm970038v | |||
13720686 | 11564 | None | 0 | Rat | Functional | pEC50 | = | 7.3 | 7.3 | 3 | 2 | ChEMBL | 389 | 3 | 3 | 4 | 3.7 | C=CCN1CCc2c(cc(O)c(O)c2Br)C(c2ccc(O)cc2)C1 | 10.1021/jm00384a006 | |||
CHEMBL1180562 | 11564 | None | 0 | Rat | Functional | pEC50 | = | 7.3 | 7.3 | 3 | 2 | ChEMBL | 389 | 3 | 3 | 4 | 3.7 | C=CCN1CCc2c(cc(O)c(O)c2Br)C(c2ccc(O)cc2)C1 | 10.1021/jm00384a006 | |||
CHEMBL131313 | 11564 | None | 0 | Rat | Functional | pEC50 | = | 7.3 | 7.3 | 3 | 2 | ChEMBL | 389 | 3 | 3 | 4 | 3.7 | C=CCN1CCc2c(cc(O)c(O)c2Br)C(c2ccc(O)cc2)C1 | 10.1021/jm00384a006 | |||
681 | 1465 | None | 47 | Rat | Functional | pEC50 | = | 5.3 | 5.3 | -1380 | 15 | ChEMBL | 153 | 2 | 3 | 3 | 0.6 | NCCc1ccc(c(c1)O)O | 10.1021/jm9502100 | |||
681.0 | 1465 | None | 47 | Rat | Functional | pEC50 | = | 5.3 | 5.3 | -1380 | 15 | ChEMBL | 153 | 2 | 3 | 3 | 0.6 | NCCc1ccc(c(c1)O)O | 10.1021/jm9502100 | |||
940 | 1465 | None | 47 | Rat | Functional | pEC50 | = | 5.3 | 5.3 | -1380 | 15 | ChEMBL | 153 | 2 | 3 | 3 | 0.6 | NCCc1ccc(c(c1)O)O | 10.1021/jm9502100 | |||
947 | 1465 | None | 47 | Rat | Functional | pEC50 | = | 5.3 | 5.3 | -1380 | 15 | ChEMBL | 153 | 2 | 3 | 3 | 0.6 | NCCc1ccc(c(c1)O)O | 10.1021/jm9502100 | |||
CHEMBL59 | 1465 | None | 47 | Rat | Functional | pEC50 | = | 5.3 | 5.3 | -1380 | 15 | ChEMBL | 153 | 2 | 3 | 3 | 0.6 | NCCc1ccc(c(c1)O)O | 10.1021/jm9502100 | |||
DB00988 | 1465 | None | 47 | Rat | Functional | pEC50 | = | 5.3 | 5.3 | -1380 | 15 | ChEMBL | 153 | 2 | 3 | 3 | 0.6 | NCCc1ccc(c(c1)O)O | 10.1021/jm9502100 | |||
146025816 | 170081 | None | 0 | Human | Functional | pEC50 | = | 6.3 | 6.3 | -2 | 2 | ChEMBL | 323 | 3 | 0 | 3 | 4.0 | CCc1ccc2c3c1CCN(C)[C@H]3Cc1ccc(OC)c(OC)c1-2 | 10.1021/acsmedchemlett.9b00575 | |||
CHEMBL4442011 | 170081 | None | 0 | Human | Functional | pEC50 | = | 6.3 | 6.3 | -2 | 2 | ChEMBL | 323 | 3 | 0 | 3 | 4.0 | CCc1ccc2c3c1CCN(C)[C@H]3Cc1ccc(OC)c(OC)c1-2 | 10.1021/acsmedchemlett.9b00575 | |||
146025816 | 170081 | None | 0 | Human | Functional | pEC50 | = | 6.3 | 6.3 | -2 | 2 | ChEMBL | 323 | 3 | 0 | 3 | 4.0 | CCc1ccc2c3c1CCN(C)[C@H]3Cc1ccc(OC)c(OC)c1-2 | 10.1021/acsmedchemlett.9b00575 | |||
CHEMBL4442011 | 170081 | None | 0 | Human | Functional | pEC50 | = | 6.3 | 6.3 | -2 | 2 | ChEMBL | 323 | 3 | 0 | 3 | 4.0 | CCc1ccc2c3c1CCN(C)[C@H]3Cc1ccc(OC)c(OC)c1-2 | 10.1021/acsmedchemlett.9b00575 | |||
9796958 | 146666 | None | 0 | Goldfish | Functional | pEC50 | = | 7.3 | 7.3 | 4 | 2 | ChEMBL | 315 | 2 | 3 | 4 | 3.7 | CCCc1cc2c(s1)CN[C@H]1CCc3cc(O)c(O)cc3[C@H]21 | 10.1021/jm970038v | |||
CHEMBL2115374 | 146666 | None | 0 | Goldfish | Functional | pEC50 | = | 7.3 | 7.3 | 4 | 2 | ChEMBL | 315 | 2 | 3 | 4 | 3.7 | CCCc1cc2c(s1)CN[C@H]1CCc3cc(O)c(O)cc3[C@H]21 | 10.1021/jm970038v | |||
CHEMBL39230 | 146666 | None | 0 | Goldfish | Functional | pEC50 | = | 7.3 | 7.3 | 4 | 2 | ChEMBL | 315 | 2 | 3 | 4 | 3.7 | CCCc1cc2c(s1)CN[C@H]1CCc3cc(O)c(O)cc3[C@H]21 | 10.1021/jm970038v | |||
CHEMBL544814 | 146666 | None | 0 | Goldfish | Functional | pEC50 | = | 7.3 | 7.3 | 4 | 2 | ChEMBL | 315 | 2 | 3 | 4 | 3.7 | CCCc1cc2c(s1)CN[C@H]1CCc3cc(O)c(O)cc3[C@H]21 | 10.1021/jm970038v | |||
228 | 445 | None | 20 | Human | Functional | pEC50 | = | 7.3 | 7.3 | -14 | 20 | ChEMBL | 267 | 0 | 2 | 3 | 2.9 | CN1CCc2c3[C@H]1Cc1ccc(c(c1c3ccc2)O)O | 10.1016/j.bmc.2007.06.036 | |||
33 | 445 | None | 20 | Human | Functional | pEC50 | = | 7.3 | 7.3 | -14 | 20 | ChEMBL | 267 | 0 | 2 | 3 | 2.9 | CN1CCc2c3[C@H]1Cc1ccc(c(c1c3ccc2)O)O | 10.1016/j.bmc.2007.06.036 | |||
6005 | 445 | None | 20 | Human | Functional | pEC50 | = | 7.3 | 7.3 | -14 | 20 | ChEMBL | 267 | 0 | 2 | 3 | 2.9 | CN1CCc2c3[C@H]1Cc1ccc(c(c1c3ccc2)O)O | 10.1016/j.bmc.2007.06.036 | |||
6005.0 | 445 | None | 20 | Human | Functional | pEC50 | = | 7.3 | 7.3 | -14 | 20 | ChEMBL | 267 | 0 | 2 | 3 | 2.9 | CN1CCc2c3[C@H]1Cc1ccc(c(c1c3ccc2)O)O | 10.1016/j.bmc.2007.06.036 | |||
CHEMBL53 | 445 | None | 20 | Human | Functional | pEC50 | = | 7.3 | 7.3 | -14 | 20 | ChEMBL | 267 | 0 | 2 | 3 | 2.9 | CN1CCc2c3[C@H]1Cc1ccc(c(c1c3ccc2)O)O | 10.1016/j.bmc.2007.06.036 | |||
DB00714 | 445 | None | 20 | Human | Functional | pEC50 | = | 7.3 | 7.3 | -14 | 20 | ChEMBL | 267 | 0 | 2 | 3 | 2.9 | CN1CCc2c3[C@H]1Cc1ccc(c(c1c3ccc2)O)O | 10.1016/j.bmc.2007.06.036 | |||
44320053 | 208231 | None | 0 | Rat | Functional | pEC50 | = | 7.3 | 7.3 | -3 | 2 | ChEMBL | 251 | 1 | 3 | 4 | 2.1 | CC(C)(C)C1Cc2c(ccc(O)c2O)[C@H](CN)O1 | 10.1021/jm00112a034 | |||
CHEMBL82899 | 208231 | None | 0 | Rat | Functional | pEC50 | = | 7.3 | 7.3 | -3 | 2 | ChEMBL | 251 | 1 | 3 | 4 | 2.1 | CC(C)(C)C1Cc2c(ccc(O)c2O)[C@H](CN)O1 | 10.1021/jm00112a034 | |||
146025720 | 173051 | None | 0 | Human | Functional | pEC50 | = | 6.3 | 6.3 | - | 1 | ChEMBL | 341 | 3 | 0 | 5 | 5.2 | Cc1cc(-c2cccc3nccn23)ccc1Oc1nccc2occc12 | 10.1021/acs.jmedchem.9b00351 | |||
CHEMBL4517022 | 173051 | None | 0 | Human | Functional | pEC50 | = | 6.3 | 6.3 | - | 1 | ChEMBL | 341 | 3 | 0 | 5 | 5.2 | Cc1cc(-c2cccc3nccn23)ccc1Oc1nccc2occc12 | 10.1021/acs.jmedchem.9b00351 | |||
146025720 | 173051 | None | 0 | Human | Functional | pEC50 | = | 6.3 | 6.3 | - | 1 | ChEMBL | 341 | 3 | 0 | 5 | 5.2 | Cc1cc(-c2cccc3nccn23)ccc1Oc1nccc2occc12 | 10.1021/acs.jmedchem.9b00351 | |||
CHEMBL4517022 | 173051 | None | 0 | Human | Functional | pEC50 | = | 6.3 | 6.3 | - | 1 | ChEMBL | 341 | 3 | 0 | 5 | 5.2 | Cc1cc(-c2cccc3nccn23)ccc1Oc1nccc2occc12 | 10.1021/acs.jmedchem.9b00351 | |||
146025700 | 175476 | None | 0 | Human | Functional | pEC50 | = | 7.3 | 7.3 | - | 1 | ChEMBL | 370 | 3 | 0 | 6 | 5.3 | Cc1ncc2nccn2c1-c1ccc(Oc2nccc3occc23)c(C)c1C | 10.1021/acs.jmedchem.9b00351 | |||
CHEMBL4574838 | 175476 | None | 0 | Human | Functional | pEC50 | = | 7.3 | 7.3 | - | 1 | ChEMBL | 370 | 3 | 0 | 6 | 5.3 | Cc1ncc2nccn2c1-c1ccc(Oc2nccc3occc23)c(C)c1C | 10.1021/acs.jmedchem.9b00351 | |||
146192953 | 171713 | None | 0 | Human | Functional | pEC50 | = | 6.3 | 6.3 | - | 1 | ChEMBL | 413 | 4 | 2 | 3 | 3.9 | C[C@H]1c2cccc(-c3cn[nH]c3)c2C[C@H](CO)N1C(=O)Cc1ccc(F)cc1Cl | 10.1021/acsmedchemlett.9b00547 | |||
CHEMBL4465386 | 171713 | None | 0 | Human | Functional | pEC50 | = | 6.3 | 6.3 | - | 1 | ChEMBL | 413 | 4 | 2 | 3 | 3.9 | C[C@H]1c2cccc(-c3cn[nH]c3)c2C[C@H](CO)N1C(=O)Cc1ccc(F)cc1Cl | 10.1021/acsmedchemlett.9b00547 | |||
145992269 | 167049 | None | 0 | Human | Functional | pEC50 | = | 5.3 | 5.3 | - | 1 | ChEMBL | 343 | 3 | 0 | 7 | 4.0 | Cc1cc(Oc2nccc3occc23)ccc1-c1cncc2ncnn12 | 10.1021/acs.jmedchem.8b01622 | |||
CHEMBL4287192 | 167049 | None | 0 | Human | Functional | pEC50 | = | 5.3 | 5.3 | - | 1 | ChEMBL | 343 | 3 | 0 | 7 | 4.0 | Cc1cc(Oc2nccc3occc23)ccc1-c1cncc2ncnn12 | 10.1021/acs.jmedchem.8b01622 | |||
146025700 | 175476 | None | 0 | Human | Functional | pEC50 | = | 7.3 | 7.3 | - | 1 | ChEMBL | 370 | 3 | 0 | 6 | 5.3 | Cc1ncc2nccn2c1-c1ccc(Oc2nccc3occc23)c(C)c1C | 10.1021/acs.jmedchem.9b00351 | |||
CHEMBL4574838 | 175476 | None | 0 | Human | Functional | pEC50 | = | 7.3 | 7.3 | - | 1 | ChEMBL | 370 | 3 | 0 | 6 | 5.3 | Cc1ncc2nccn2c1-c1ccc(Oc2nccc3occc23)c(C)c1C | 10.1021/acs.jmedchem.9b00351 | |||
85090335 | 181220 | None | 0 | Human | Functional | pEC50 | = | 7.3 | 7.3 | 1 | 2 | ChEMBL | 359 | 3 | 0 | 5 | 3.4 | CC(C)Cc1nc2c(c(=O)c3ccccc3n2C)c(=O)n1-c1ccccc1 | 10.1016/j.bmcl.2020.127696 | |||
CHEMBL4760355 | 181220 | None | 0 | Human | Functional | pEC50 | = | 7.3 | 7.3 | 1 | 2 | ChEMBL | 359 | 3 | 0 | 5 | 3.4 | CC(C)Cc1nc2c(c(=O)c3ccccc3n2C)c(=O)n1-c1ccccc1 | 10.1016/j.bmcl.2020.127696 | |||
6852376 | 91633 | None | 9 | Human | Functional | pEC50 | = | 7.3 | 7.3 | -1 | 4 | ChEMBL | 255 | 1 | 3 | 3 | 2.4 | Oc1cc2c(cc1O)[C@@H](c1ccccc1)CNCC2 | 10.1016/j.bmc.2011.07.057 | |||
CHEMBL1467585 | 91633 | None | 9 | Human | Functional | pEC50 | = | 7.3 | 7.3 | -1 | 4 | ChEMBL | 255 | 1 | 3 | 3 | 2.4 | Oc1cc2c(cc1O)[C@@H](c1ccccc1)CNCC2 | 10.1016/j.bmc.2011.07.057 | |||
CHEMBL24077 | 91633 | None | 9 | Human | Functional | pEC50 | = | 7.3 | 7.3 | -1 | 4 | ChEMBL | 255 | 1 | 3 | 3 | 2.4 | Oc1cc2c(cc1O)[C@@H](c1ccccc1)CNCC2 | 10.1016/j.bmc.2011.07.057 | |||
CHEMBL503958 | 91633 | None | 9 | Human | Functional | pEC50 | = | 7.3 | 7.3 | -1 | 4 | ChEMBL | 255 | 1 | 3 | 3 | 2.4 | Oc1cc2c(cc1O)[C@@H](c1ccccc1)CNCC2 | 10.1016/j.bmc.2011.07.057 | |||
145867041 | 174633 | None | 4 | Human | Functional | pEC50 | = | 7.3 | 7.3 | - | 1 | ChEMBL | 421 | 2 | 1 | 1 | 6.9 | Cc1ccc(Cl)c(NC(=O)C2(C)CC3c4ccccc4C2c2ccccc23)c1Cl | 10.1021/acs.jmedchem.8b01767 | |||
CHEMBL4555682 | 174633 | None | 4 | Human | Functional | pEC50 | = | 7.3 | 7.3 | - | 1 | ChEMBL | 421 | 2 | 1 | 1 | 6.9 | Cc1ccc(Cl)c(NC(=O)C2(C)CC3c4ccccc4C2c2ccccc23)c1Cl | 10.1021/acs.jmedchem.8b01767 | |||
1153 | 1628 | None | 36 | Rat | Functional | pEC50 | = | 7.2 | 7.2 | -6 | 12 | ChEMBL | 305 | 1 | 4 | 4 | 2.7 | Oc1ccc(cc1)C1CNCCc2c1cc(O)c(c2Cl)O | 10.1021/jm00390a009 | |||
12668023 | 1628 | None | 36 | Rat | Functional | pEC50 | = | 7.2 | 7.2 | -6 | 12 | ChEMBL | 305 | 1 | 4 | 4 | 2.7 | Oc1ccc(cc1)C1CNCCc2c1cc(O)c(c2Cl)O | 10.1021/jm00390a009 | |||
30026874 | 1628 | None | 36 | Rat | Functional | pEC50 | = | 7.2 | 7.2 | -6 | 12 | ChEMBL | 305 | 1 | 4 | 4 | 2.7 | Oc1ccc(cc1)C1CNCCc2c1cc(O)c(c2Cl)O | 10.1021/jm00390a009 | |||
30026875 | 1628 | None | 36 | Rat | Functional | pEC50 | = | 7.2 | 7.2 | -6 | 12 | ChEMBL | 305 | 1 | 4 | 4 | 2.7 | Oc1ccc(cc1)C1CNCCc2c1cc(O)c(c2Cl)O | 10.1021/jm00390a009 | |||
3341 | 1628 | None | 36 | Rat | Functional | pEC50 | = | 7.2 | 7.2 | -6 | 12 | ChEMBL | 305 | 1 | 4 | 4 | 2.7 | Oc1ccc(cc1)C1CNCCc2c1cc(O)c(c2Cl)O | 10.1021/jm00390a009 | |||
3341.0 | 1628 | None | 36 | Rat | Functional | pEC50 | = | 7.2 | 7.2 | -6 | 12 | ChEMBL | 305 | 1 | 4 | 4 | 2.7 | Oc1ccc(cc1)C1CNCCc2c1cc(O)c(c2Cl)O | 10.1021/jm00390a009 | |||
6603851 | 1628 | None | 36 | Rat | Functional | pEC50 | = | 7.2 | 7.2 | -6 | 12 | ChEMBL | 305 | 1 | 4 | 4 | 2.7 | Oc1ccc(cc1)C1CNCCc2c1cc(O)c(c2Cl)O | 10.1021/jm00390a009 | |||
933 | 1628 | None | 36 | Rat | Functional | pEC50 | = | 7.2 | 7.2 | -6 | 12 | ChEMBL | 305 | 1 | 4 | 4 | 2.7 | Oc1ccc(cc1)C1CNCCc2c1cc(O)c(c2Cl)O | 10.1021/jm00390a009 | |||
939 | 1628 | None | 36 | Rat | Functional | pEC50 | = | 7.2 | 7.2 | -6 | 12 | ChEMBL | 305 | 1 | 4 | 4 | 2.7 | Oc1ccc(cc1)C1CNCCc2c1cc(O)c(c2Cl)O | 10.1021/jm00390a009 | |||
985 | 1628 | None | 36 | Rat | Functional | pEC50 | = | 7.2 | 7.2 | -6 | 12 | ChEMBL | 305 | 1 | 4 | 4 | 2.7 | Oc1ccc(cc1)C1CNCCc2c1cc(O)c(c2Cl)O | 10.1021/jm00390a009 | |||
CHEMBL1160786 | 1628 | None | 36 | Rat | Functional | pEC50 | = | 7.2 | 7.2 | -6 | 12 | ChEMBL | 305 | 1 | 4 | 4 | 2.7 | Oc1ccc(cc1)C1CNCCc2c1cc(O)c(c2Cl)O | 10.1021/jm00390a009 | |||
CHEMBL1161520 | 1628 | None | 36 | Rat | Functional | pEC50 | = | 7.2 | 7.2 | -6 | 12 | ChEMBL | 305 | 1 | 4 | 4 | 2.7 | Oc1ccc(cc1)C1CNCCc2c1cc(O)c(c2Cl)O | 10.1021/jm00390a009 | |||
CHEMBL588 | 1628 | None | 36 | Rat | Functional | pEC50 | = | 7.2 | 7.2 | -6 | 12 | ChEMBL | 305 | 1 | 4 | 4 | 2.7 | Oc1ccc(cc1)C1CNCCc2c1cc(O)c(c2Cl)O | 10.1021/jm00390a009 | |||
DB00800 | 1628 | None | 36 | Rat | Functional | pEC50 | = | 7.2 | 7.2 | -6 | 12 | ChEMBL | 305 | 1 | 4 | 4 | 2.7 | Oc1ccc(cc1)C1CNCCc2c1cc(O)c(c2Cl)O | 10.1021/jm00390a009 | |||
53494976 | 66621 | None | 0 | Human | Functional | pEC50 | = | 6.2 | 6.2 | - | 1 | ChEMBL | 283 | 0 | 3 | 4 | 2.1 | Oc1cc2c(cc1O)[C@H]1c3ccccc3OC[C@@H]1NCC2 | 10.1016/j.bmc.2011.07.057 | |||
CHEMBL1822919 | 66621 | None | 0 | Human | Functional | pEC50 | = | 6.2 | 6.2 | - | 1 | ChEMBL | 283 | 0 | 3 | 4 | 2.1 | Oc1cc2c(cc1O)[C@H]1c3ccccc3OC[C@@H]1NCC2 | 10.1016/j.bmc.2011.07.057 | |||
CHEMBL1852625 | 66621 | None | 0 | Human | Functional | pEC50 | = | 6.2 | 6.2 | - | 1 | ChEMBL | 283 | 0 | 3 | 4 | 2.1 | Oc1cc2c(cc1O)[C@H]1c3ccccc3OC[C@@H]1NCC2 | 10.1016/j.bmc.2011.07.057 | |||
155560177 | 175034 | None | 0 | Human | Functional | pEC50 | = | 6.2 | 6.2 | - | 1 | ChEMBL | 378 | 3 | 1 | 6 | 2.7 | Cc1nc2c(c(Oc3ccc(-c4c(C)c(=O)[nH]c(=O)n4C)c(C)c3)n1)CCC2 | 10.1021/acsmedchemlett.9b00050 | |||
CHEMBL4565185 | 175034 | None | 0 | Human | Functional | pEC50 | = | 6.2 | 6.2 | - | 1 | ChEMBL | 378 | 3 | 1 | 6 | 2.7 | Cc1nc2c(c(Oc3ccc(-c4c(C)c(=O)[nH]c(=O)n4C)c(C)c3)n1)CCC2 | 10.1021/acsmedchemlett.9b00050 | |||
53494978 | 66523 | None | 0 | Human | Functional | pEC50 | = | 6.2 | 6.2 | - | 1 | ChEMBL | 299 | 0 | 3 | 4 | 2.9 | Oc1cc2c(cc1O)[C@H]1c3ccccc3SC[C@@H]1NCC2 | 10.1016/j.bmc.2011.07.057 | |||
CHEMBL1822920 | 66523 | None | 0 | Human | Functional | pEC50 | = | 6.2 | 6.2 | - | 1 | ChEMBL | 299 | 0 | 3 | 4 | 2.9 | Oc1cc2c(cc1O)[C@H]1c3ccccc3SC[C@@H]1NCC2 | 10.1016/j.bmc.2011.07.057 | |||
CHEMBL1852349 | 66523 | None | 0 | Human | Functional | pEC50 | = | 6.2 | 6.2 | - | 1 | ChEMBL | 299 | 0 | 3 | 4 | 2.9 | Oc1cc2c(cc1O)[C@H]1c3ccccc3SC[C@@H]1NCC2 | 10.1016/j.bmc.2011.07.057 | |||
44320129 | 167997 | None | 0 | Human | Functional | pEC50 | = | 8.2 | 8.2 | 56 | 2 | ChEMBL | 251 | 4 | 3 | 4 | 2.2 | CCCCC1Cc2c(ccc(O)c2O)[C@H](CN)O1 | 10.1021/jm00112a034 | |||
CHEMBL431220 | 167997 | None | 0 | Human | Functional | pEC50 | = | 8.2 | 8.2 | 56 | 2 | ChEMBL | 251 | 4 | 3 | 4 | 2.2 | CCCCC1Cc2c(ccc(O)c2O)[C@H](CN)O1 | 10.1021/jm00112a034 | |||
44319976 | 107019 | None | 0 | Human | Functional | pEC50 | = | 8.2 | 8.2 | - | 1 | ChEMBL | 301 | 3 | 3 | 5 | 2.4 | COc1cccc(C2Cc3c(ccc(O)c3O)[C@H](CN)O2)c1 | 10.1021/jm00112a034 | |||
CHEMBL315005 | 107019 | None | 0 | Human | Functional | pEC50 | = | 8.2 | 8.2 | - | 1 | ChEMBL | 301 | 3 | 3 | 5 | 2.4 | COc1cccc(C2Cc3c(ccc(O)c3O)[C@H](CN)O2)c1 | 10.1021/jm00112a034 | |||
44320378 | 208521 | None | 0 | Human | Functional | pEC50 | = | 8.2 | 8.2 | 63 | 2 | ChEMBL | 277 | 3 | 3 | 4 | 2.6 | NC[C@@H]1OC(CC2CCCC2)Cc2c1ccc(O)c2O | 10.1021/jm00112a034 | |||
CHEMBL85409 | 208521 | None | 0 | Human | Functional | pEC50 | = | 8.2 | 8.2 | 63 | 2 | ChEMBL | 277 | 3 | 3 | 4 | 2.6 | NC[C@@H]1OC(CC2CCCC2)Cc2c1ccc(O)c2O | 10.1021/jm00112a034 | |||
10015860 | 99331 | None | 0 | Human | Functional | pEC50 | = | 8.2 | 8.2 | - | 1 | ChEMBL | 268 | 0 | 3 | 4 | 2.0 | Oc1cc2c(cc1O)[C@H]1c3cccnc3CN[C@@H]1CC2 | 10.1016/s0960-894x(99)00214-0 | |||
CHEMBL281932 | 99331 | None | 0 | Human | Functional | pEC50 | = | 8.2 | 8.2 | - | 1 | ChEMBL | 268 | 0 | 3 | 4 | 2.0 | Oc1cc2c(cc1O)[C@H]1c3cccnc3CN[C@@H]1CC2 | 10.1016/s0960-894x(99)00214-0 | |||
12170 | 3910 | None | 14 | Human | Functional | pEC50 | = | 7.2 | 7.2 | - | 1 | ChEMBL | 279 | 4 | 1 | 3 | 3.7 | N=S(=O)(c1ccc(c2ccccc2OCF)cc1)C | 10.1021/acs.jmedchem.2c00949 | |||
137364063 | 3910 | None | 14 | Human | Functional | pEC50 | = | 7.2 | 7.2 | - | 1 | ChEMBL | 279 | 4 | 1 | 3 | 3.7 | N=S(=O)(c1ccc(c2ccccc2OCF)cc1)C | 10.1021/acs.jmedchem.2c00949 | |||
CHEMBL5172089 | 3910 | None | 14 | Human | Functional | pEC50 | = | 7.2 | 7.2 | - | 1 | ChEMBL | 279 | 4 | 1 | 3 | 3.7 | N=S(=O)(c1ccc(c2ccccc2OCF)cc1)C | 10.1021/acs.jmedchem.2c00949 | |||
146025699 | 170590 | None | 0 | Human | Functional | pEC50 | = | 6.2 | 6.2 | - | 1 | ChEMBL | 356 | 3 | 0 | 6 | 4.9 | Cc1cc(-c2c(C)ncc3nccn23)ccc1Oc1nccc2occc12 | 10.1021/acs.jmedchem.9b00351 | |||
CHEMBL4449153 | 170590 | None | 0 | Human | Functional | pEC50 | = | 6.2 | 6.2 | - | 1 | ChEMBL | 356 | 3 | 0 | 6 | 4.9 | Cc1cc(-c2c(C)ncc3nccn23)ccc1Oc1nccc2occc12 | 10.1021/acs.jmedchem.9b00351 | |||
146025710 | 170219 | None | 0 | Human | Functional | pEC50 | = | 7.2 | 7.2 | - | 1 | ChEMBL | 396 | 4 | 0 | 6 | 5.8 | Cc1cc(Oc2nccc3occ(C4CC4)c23)ccc1-c1c(C)ncc2nccn12 | 10.1021/acs.jmedchem.9b00351 | |||
CHEMBL4443737 | 170219 | None | 0 | Human | Functional | pEC50 | = | 7.2 | 7.2 | - | 1 | ChEMBL | 396 | 4 | 0 | 6 | 5.8 | Cc1cc(Oc2nccc3occ(C4CC4)c23)ccc1-c1c(C)ncc2nccn12 | 10.1021/acs.jmedchem.9b00351 | |||
146025699 | 170590 | None | 0 | Human | Functional | pEC50 | = | 6.2 | 6.2 | - | 1 | ChEMBL | 356 | 3 | 0 | 6 | 4.9 | Cc1cc(-c2c(C)ncc3nccn23)ccc1Oc1nccc2occc12 | 10.1021/acs.jmedchem.9b00351 | |||
CHEMBL4449153 | 170590 | None | 0 | Human | Functional | pEC50 | = | 6.2 | 6.2 | - | 1 | ChEMBL | 356 | 3 | 0 | 6 | 4.9 | Cc1cc(-c2c(C)ncc3nccn23)ccc1Oc1nccc2occc12 | 10.1021/acs.jmedchem.9b00351 | |||
155534541 | 172076 | None | 0 | Human | Functional | pEC50 | = | 6.2 | 6.2 | - | 1 | ChEMBL | 380 | 4 | 2 | 6 | 2.5 | CC(=O)Nc1cccnc1Oc1ccc(-c2c(C)c(=O)[nH]c(=O)n2C)c(C)c1 | 10.1021/acsmedchemlett.9b00050 | |||
CHEMBL4470808 | 172076 | None | 0 | Human | Functional | pEC50 | = | 6.2 | 6.2 | - | 1 | ChEMBL | 380 | 4 | 2 | 6 | 2.5 | CC(=O)Nc1cccnc1Oc1ccc(-c2c(C)c(=O)[nH]c(=O)n2C)c(C)c1 | 10.1021/acsmedchemlett.9b00050 | |||
146025710 | 170219 | None | 0 | Human | Functional | pEC50 | = | 7.2 | 7.2 | - | 1 | ChEMBL | 396 | 4 | 0 | 6 | 5.8 | Cc1cc(Oc2nccc3occ(C4CC4)c23)ccc1-c1c(C)ncc2nccn12 | 10.1021/acs.jmedchem.9b00351 | |||
CHEMBL4443737 | 170219 | None | 0 | Human | Functional | pEC50 | = | 7.2 | 7.2 | - | 1 | ChEMBL | 396 | 4 | 0 | 6 | 5.8 | Cc1cc(Oc2nccc3occ(C4CC4)c23)ccc1-c1c(C)ncc2nccn12 | 10.1021/acs.jmedchem.9b00351 | |||
10506 | 2524 | None | 24 | Mouse | Functional | pEC50 | = | 7.2 | 7.2 | -20 | 3 | ChEMBL | 449 | 6 | 2 | 3 | 4.7 | OC[C@H]1Cc2c(cccc2[C@@H](N1C(=O)Cc1c(Cl)cccc1Cl)C)CCC(O)(C)C | 10.1021/acs.jmedchem.9b01234 | |||
86290953 | 2524 | None | 24 | Mouse | Functional | pEC50 | = | 7.2 | 7.2 | -20 | 3 | ChEMBL | 449 | 6 | 2 | 3 | 4.7 | OC[C@H]1Cc2c(cccc2[C@@H](N1C(=O)Cc1c(Cl)cccc1Cl)C)CCC(O)(C)C | 10.1021/acs.jmedchem.9b01234 | |||
86290953.0 | 2524 | None | 24 | Mouse | Functional | pEC50 | = | 7.2 | 7.2 | -20 | 3 | ChEMBL | 449 | 6 | 2 | 3 | 4.7 | OC[C@H]1Cc2c(cccc2[C@@H](N1C(=O)Cc1c(Cl)cccc1Cl)C)CCC(O)(C)C | 10.1021/acs.jmedchem.9b01234 | |||
CHEMBL3421729 | 2524 | None | 24 | Mouse | Functional | pEC50 | = | 7.2 | 7.2 | -20 | 3 | ChEMBL | 449 | 6 | 2 | 3 | 4.7 | OC[C@H]1Cc2c(cccc2[C@@H](N1C(=O)Cc1c(Cl)cccc1Cl)C)CCC(O)(C)C | 10.1021/acs.jmedchem.9b01234 | |||
44276405 | 100163 | None | 0 | Human | Functional | pEC50 | = | 7.2 | 7.2 | - | 1 | ChEMBL | 322 | 0 | 3 | 4 | 2.9 | Oc1cc2c(cc1O)[C@H]1c3cc4c(nc3CN[C@@H]1CC2)CCCC4 | 10.1016/s0960-894x(99)00214-0 | |||
CHEMBL287513 | 100163 | None | 0 | Human | Functional | pEC50 | = | 7.2 | 7.2 | - | 1 | ChEMBL | 322 | 0 | 3 | 4 | 2.9 | Oc1cc2c(cc1O)[C@H]1c3cc4c(nc3CN[C@@H]1CC2)CCCC4 | 10.1016/s0960-894x(99)00214-0 | |||
130442514 | 166627 | None | 0 | Human | Functional | pEC50 | = | 7.2 | 7.2 | - | 1 | ChEMBL | 355 | 3 | 0 | 5 | 5.6 | Cc1cc(Oc2nccc3occc23)ccc1-c1c(C)ccc2nccn12 | 10.1021/acs.jmedchem.8b01622 | |||
CHEMBL4279267 | 166627 | None | 0 | Human | Functional | pEC50 | = | 7.2 | 7.2 | - | 1 | ChEMBL | 355 | 3 | 0 | 5 | 5.6 | Cc1cc(Oc2nccc3occc23)ccc1-c1c(C)ccc2nccn12 | 10.1021/acs.jmedchem.8b01622 | |||
10666423 | 162396 | None | 0 | Goldfish | Functional | pEC50 | = | 6.2 | 6.2 | - | 1 | ChEMBL | 363 | 1 | 3 | 4 | 4.7 | Cc1cccc(-c2cc3c(s2)CN[C@H]2CCc4cc(O)c(O)cc4[C@H]32)c1 | 10.1021/jm970038v | |||
CHEMBL416435 | 162396 | None | 0 | Goldfish | Functional | pEC50 | = | 6.2 | 6.2 | - | 1 | ChEMBL | 363 | 1 | 3 | 4 | 4.7 | Cc1cccc(-c2cc3c(s2)CN[C@H]2CCc4cc(O)c(O)cc4[C@H]32)c1 | 10.1021/jm970038v | |||
146025719 | 171310 | None | 0 | Human | Functional | pEC50 | = | 6.2 | 6.2 | - | 1 | ChEMBL | 399 | 4 | 0 | 6 | 5.2 | Cc1cc(Oc2cc(N3CCCCC3)ccn2)ccc1-c1c(C)ncc2nccn12 | 10.1021/acs.jmedchem.9b00351 | |||
CHEMBL4459395 | 171310 | None | 0 | Human | Functional | pEC50 | = | 6.2 | 6.2 | - | 1 | ChEMBL | 399 | 4 | 0 | 6 | 5.2 | Cc1cc(Oc2cc(N3CCCCC3)ccn2)ccc1-c1c(C)ncc2nccn12 | 10.1021/acs.jmedchem.9b00351 | |||
146025719 | 171310 | None | 0 | Human | Functional | pEC50 | = | 6.2 | 6.2 | - | 1 | ChEMBL | 399 | 4 | 0 | 6 | 5.2 | Cc1cc(Oc2cc(N3CCCCC3)ccn2)ccc1-c1c(C)ncc2nccn12 | 10.1021/acs.jmedchem.9b00351 | |||
CHEMBL4459395 | 171310 | None | 0 | Human | Functional | pEC50 | = | 6.2 | 6.2 | - | 1 | ChEMBL | 399 | 4 | 0 | 6 | 5.2 | Cc1cc(Oc2cc(N3CCCCC3)ccn2)ccc1-c1c(C)ncc2nccn12 | 10.1021/acs.jmedchem.9b00351 | |||
44319915 | 208423 | None | 0 | Human | Functional | pEC50 | = | 6.2 | 6.2 | - | 1 | ChEMBL | 331 | 5 | 2 | 4 | 3.8 | C=CCN(C)C[C@@H]1OC(C2CCCCC2)Cc2c1ccc(O)c2O | 10.1021/jm00112a034 | |||
CHEMBL84557 | 208423 | None | 0 | Human | Functional | pEC50 | = | 6.2 | 6.2 | - | 1 | ChEMBL | 331 | 5 | 2 | 4 | 3.8 | C=CCN(C)C[C@@H]1OC(C2CCCCC2)Cc2c1ccc(O)c2O | 10.1021/jm00112a034 | |||
146025726 | 170870 | None | 0 | Human | Functional | pEC50 | = | 7.2 | 7.2 | - | 1 | ChEMBL | 405 | 3 | 0 | 4 | 6.4 | FC(F)(F)c1cc(Oc2nccc3ccccc23)ccc1-c1cccc2nccn12 | 10.1021/acs.jmedchem.9b00351 | |||
CHEMBL4452764 | 170870 | None | 0 | Human | Functional | pEC50 | = | 7.2 | 7.2 | - | 1 | ChEMBL | 405 | 3 | 0 | 4 | 6.4 | FC(F)(F)c1cc(Oc2nccc3ccccc23)ccc1-c1cccc2nccn12 | 10.1021/acs.jmedchem.9b00351 | |||
146025823 | 169680 | None | 0 | Human | Functional | pEC50 | = | 6.2 | 6.2 | - | 1 | ChEMBL | 457 | 4 | 0 | 6 | 5.0 | COc1cccc(-c2cc3c(c(OC(C)=O)c2OC(C)=O)-c2cccc4c2[C@@H](C3)N(C)CC4)c1 | 10.1021/acsmedchemlett.9b00575 | |||
CHEMBL4435882 | 169680 | None | 0 | Human | Functional | pEC50 | = | 6.2 | 6.2 | - | 1 | ChEMBL | 457 | 4 | 0 | 6 | 5.0 | COc1cccc(-c2cc3c(c(OC(C)=O)c2OC(C)=O)-c2cccc4c2[C@@H](C3)N(C)CC4)c1 | 10.1021/acsmedchemlett.9b00575 | |||
1242 | 3613 | None | 17 | Human | Functional | pEC50 | = | 6.2 | 6.2 | 1 | 3 | ChEMBL | 255 | 1 | 3 | 3 | 2.4 | Oc1cc2CCNCC(c2cc1O)c1ccccc1 | 10.1016/j.bmc.2019.04.014 | |||
935 | 3613 | None | 17 | Human | Functional | pEC50 | = | 6.2 | 6.2 | 1 | 3 | ChEMBL | 255 | 1 | 3 | 3 | 2.4 | Oc1cc2CCNCC(c2cc1O)c1ccccc1 | 10.1016/j.bmc.2019.04.014 | |||
CHEMBL286080 | 3613 | None | 17 | Human | Functional | pEC50 | = | 6.2 | 6.2 | 1 | 3 | ChEMBL | 255 | 1 | 3 | 3 | 2.4 | Oc1cc2CCNCC(c2cc1O)c1ccccc1 | 10.1016/j.bmc.2019.04.014 | |||
146025823 | 169680 | None | 0 | Human | Functional | pEC50 | = | 6.2 | 6.2 | - | 1 | ChEMBL | 457 | 4 | 0 | 6 | 5.0 | COc1cccc(-c2cc3c(c(OC(C)=O)c2OC(C)=O)-c2cccc4c2[C@@H](C3)N(C)CC4)c1 | 10.1021/acsmedchemlett.9b00575 | |||
CHEMBL4435882 | 169680 | None | 0 | Human | Functional | pEC50 | = | 6.2 | 6.2 | - | 1 | ChEMBL | 457 | 4 | 0 | 6 | 5.0 | COc1cccc(-c2cc3c(c(OC(C)=O)c2OC(C)=O)-c2cccc4c2[C@@H](C3)N(C)CC4)c1 | 10.1021/acsmedchemlett.9b00575 | |||
146025726 | 170870 | None | 0 | Human | Functional | pEC50 | = | 7.2 | 7.2 | - | 1 | ChEMBL | 405 | 3 | 0 | 4 | 6.4 | FC(F)(F)c1cc(Oc2nccc3ccccc23)ccc1-c1cccc2nccn12 | 10.1021/acs.jmedchem.9b00351 | |||
CHEMBL4452764 | 170870 | None | 0 | Human | Functional | pEC50 | = | 7.2 | 7.2 | - | 1 | ChEMBL | 405 | 3 | 0 | 4 | 6.4 | FC(F)(F)c1cc(Oc2nccc3ccccc23)ccc1-c1cccc2nccn12 | 10.1021/acs.jmedchem.9b00351 | |||
44320123 | 107139 | None | 0 | Human | Functional | pEC50 | = | 7.2 | 7.2 | 4 | 2 | ChEMBL | 233 | 2 | 3 | 4 | 1.1 | C#CCC1Cc2c(ccc(O)c2O)[C@H](CN)O1 | 10.1021/jm00112a034 | |||
CHEMBL315849 | 107139 | None | 0 | Human | Functional | pEC50 | = | 7.2 | 7.2 | 4 | 2 | ChEMBL | 233 | 2 | 3 | 4 | 1.1 | C#CCC1Cc2c(ccc(O)c2O)[C@H](CN)O1 | 10.1021/jm00112a034 | |||
15696487 | 163894 | None | 0 | Human | Functional | pEC50 | = | 7.2 | 7.2 | 97 | 2 | ChEMBL | 263 | 1 | 3 | 4 | 2.4 | NC[C@@H]1OC2(CCCCC2)Cc2c1ccc(O)c2O | 10.1021/jm00112a034 | |||
CHEMBL420604 | 163894 | None | 0 | Human | Functional | pEC50 | = | 7.2 | 7.2 | 97 | 2 | ChEMBL | 263 | 1 | 3 | 4 | 2.4 | NC[C@@H]1OC2(CCCCC2)Cc2c1ccc(O)c2O | 10.1021/jm00112a034 | |||
10758745 | 100487 | None | 0 | Goldfish | Functional | pEC50 | = | 7.2 | 7.2 | - | 1 | ChEMBL | 329 | 0 | 3 | 4 | 4.0 | CC(C)(C)c1cc2c(s1)CN[C@H]1CCc3cc(O)c(O)cc3[C@H]21 | 10.1021/jm970038v | |||
CHEMBL2115373 | 100487 | None | 0 | Goldfish | Functional | pEC50 | = | 7.2 | 7.2 | - | 1 | ChEMBL | 329 | 0 | 3 | 4 | 4.0 | CC(C)(C)c1cc2c(s1)CN[C@H]1CCc3cc(O)c(O)cc3[C@H]21 | 10.1021/jm970038v | |||
CHEMBL290438 | 100487 | None | 0 | Goldfish | Functional | pEC50 | = | 7.2 | 7.2 | - | 1 | ChEMBL | 329 | 0 | 3 | 4 | 4.0 | CC(C)(C)c1cc2c(s1)CN[C@H]1CCc3cc(O)c(O)cc3[C@H]21 | 10.1021/jm970038v | |||
14809027 | 107085 | None | 0 | Rat | Functional | pEC50 | = | 8.2 | 8.2 | -3 | 3 | ChEMBL | 271 | 2 | 3 | 4 | 2.4 | NC[C@@H]1OC(c2ccccc2)Cc2c1ccc(O)c2O | 10.1021/jm00112a034 | |||
CHEMBL315468 | 107085 | None | 0 | Rat | Functional | pEC50 | = | 8.2 | 8.2 | -3 | 3 | ChEMBL | 271 | 2 | 3 | 4 | 2.4 | NC[C@@H]1OC(c2ccccc2)Cc2c1ccc(O)c2O | 10.1021/jm00112a034 | |||
6603820 | 95827 | None | 16 | Human | Functional | pEC50 | = | 8.1 | 8.1 | 1 | 7 | ChEMBL | 267 | 0 | 3 | 3 | 2.6 | Oc1cc2c(cc1O)[C@H]1c3ccccc3CN[C@@H]1CC2 | 10.1016/j.bmc.2011.07.057 | |||
CHEMBL25856 | 95827 | None | 16 | Human | Functional | pEC50 | = | 8.1 | 8.1 | 1 | 7 | ChEMBL | 267 | 0 | 3 | 3 | 2.6 | Oc1cc2c(cc1O)[C@H]1c3ccccc3CN[C@@H]1CC2 | 10.1016/j.bmc.2011.07.057 | |||
146025728 | 176117 | None | 0 | Human | Functional | pEC50 | = | 8.1 | 8.1 | - | 1 | ChEMBL | 394 | 3 | 0 | 5 | 5.5 | FC(F)(F)c1cc(Oc2nccn3cccc23)ccc1-c1cccc2nccn12 | 10.1021/acs.jmedchem.9b00351 | |||
CHEMBL4589664 | 176117 | None | 0 | Human | Functional | pEC50 | = | 8.1 | 8.1 | - | 1 | ChEMBL | 394 | 3 | 0 | 5 | 5.5 | FC(F)(F)c1cc(Oc2nccn3cccc23)ccc1-c1cccc2nccn12 | 10.1021/acs.jmedchem.9b00351 | |||
146025728 | 176117 | None | 0 | Human | Functional | pEC50 | = | 8.1 | 8.1 | - | 1 | ChEMBL | 394 | 3 | 0 | 5 | 5.5 | FC(F)(F)c1cc(Oc2nccn3cccc23)ccc1-c1cccc2nccn12 | 10.1021/acs.jmedchem.9b00351 | |||
CHEMBL4589664 | 176117 | None | 0 | Human | Functional | pEC50 | = | 8.1 | 8.1 | - | 1 | ChEMBL | 394 | 3 | 0 | 5 | 5.5 | FC(F)(F)c1cc(Oc2nccn3cccc23)ccc1-c1cccc2nccn12 | 10.1021/acs.jmedchem.9b00351 | |||
6604005 | 157209 | None | 0 | Rat | Functional | pEC50 | = | 6.2 | 6.2 | 1 | 4 | ChEMBL | 247 | 1 | 3 | 4 | 2.4 | Oc1ccc([C@@H]2CNCc3sccc32)cc1O | 10.1021/jm9502100 | |||
CHEMBL407489 | 157209 | None | 0 | Rat | Functional | pEC50 | = | 6.2 | 6.2 | 1 | 4 | ChEMBL | 247 | 1 | 3 | 4 | 2.4 | Oc1ccc([C@@H]2CNCc3sccc32)cc1O | 10.1021/jm9502100 | |||
133642 | 172054 | None | 7 | Human | Functional | pEC50 | = | 6.1 | 6.1 | -9 | 2 | ChEMBL | 307 | 2 | 0 | 3 | 3.9 | CCCN1CCc2cccc3c2[C@H]1Cc1ccc2c(c1-3)OCO2 | 10.1021/acsmedchemlett.9b00575 | |||
CHEMBL4470553 | 172054 | None | 7 | Human | Functional | pEC50 | = | 6.1 | 6.1 | -9 | 2 | ChEMBL | 307 | 2 | 0 | 3 | 3.9 | CCCN1CCc2cccc3c2[C@H]1Cc1ccc2c(c1-3)OCO2 | 10.1021/acsmedchemlett.9b00575 | |||
133642 | 172054 | None | 7 | Human | Functional | pEC50 | = | 6.1 | 6.1 | -9 | 2 | ChEMBL | 307 | 2 | 0 | 3 | 3.9 | CCCN1CCc2cccc3c2[C@H]1Cc1ccc2c(c1-3)OCO2 | 10.1021/acsmedchemlett.9b00575 | |||
CHEMBL4470553 | 172054 | None | 7 | Human | Functional | pEC50 | = | 6.1 | 6.1 | -9 | 2 | ChEMBL | 307 | 2 | 0 | 3 | 3.9 | CCCN1CCc2cccc3c2[C@H]1Cc1ccc2c(c1-3)OCO2 | 10.1021/acsmedchemlett.9b00575 | |||
44554986 | 106340 | None | 0 | Human | Functional | pEC50 | = | 7.1 | 7.1 | -35 | 2 | ChEMBL | 361 | 4 | 1 | 5 | 2.9 | CCCN1C[C@H](Cn2cc(Cl)cn2)O[C@@H]2Cc3c(O)cccc3C[C@H]21 | 10.1016/j.bmc.2013.11.012 | |||
CHEMBL3099236 | 106340 | None | 0 | Human | Functional | pEC50 | = | 7.1 | 7.1 | -35 | 2 | ChEMBL | 361 | 4 | 1 | 5 | 2.9 | CCCN1C[C@H](Cn2cc(Cl)cn2)O[C@@H]2Cc3c(O)cccc3C[C@H]21 | 10.1016/j.bmc.2013.11.012 | |||
CHEMBL3139041 | 106340 | None | 0 | Human | Functional | pEC50 | = | 7.1 | 7.1 | -35 | 2 | ChEMBL | 361 | 4 | 1 | 5 | 2.9 | CCCN1C[C@H](Cn2cc(Cl)cn2)O[C@@H]2Cc3c(O)cccc3C[C@H]21 | 10.1016/j.bmc.2013.11.012 | |||
71722301 | 102528 | None | 0 | Human | Functional | pEC50 | = | 6.1 | 6.1 | -4 | 2 | ChEMBL | 400 | 3 | 2 | 4 | 4.5 | CN(C)c1ccc(Cc2ccc3c4c2-c2c(ccc(O)c2O)C[C@H]4N(C)CC3)cc1 | 10.1016/j.bmc.2013.05.014 | |||
CHEMBL3040157 | 102528 | None | 0 | Human | Functional | pEC50 | = | 6.1 | 6.1 | -4 | 2 | ChEMBL | 400 | 3 | 2 | 4 | 4.5 | CN(C)c1ccc(Cc2ccc3c4c2-c2c(ccc(O)c2O)C[C@H]4N(C)CC3)cc1 | 10.1016/j.bmc.2013.05.014 | |||
CHEMBL3216146 | 102528 | None | 0 | Human | Functional | pEC50 | = | 6.1 | 6.1 | -4 | 2 | ChEMBL | 400 | 3 | 2 | 4 | 4.5 | CN(C)c1ccc(Cc2ccc3c4c2-c2c(ccc(O)c2O)C[C@H]4N(C)CC3)cc1 | 10.1016/j.bmc.2013.05.014 | |||
130442508 | 171186 | None | 0 | Human | Functional | pEC50 | = | 7.1 | 7.1 | - | 1 | ChEMBL | 346 | 4 | 0 | 5 | 5.3 | COc1ccc(-c2ccc(Oc3nccc4occc34)cc2C)c(C)n1 | 10.1021/acs.jmedchem.9b00351 | |||
CHEMBL4457399 | 171186 | None | 0 | Human | Functional | pEC50 | = | 7.1 | 7.1 | - | 1 | ChEMBL | 346 | 4 | 0 | 5 | 5.3 | COc1ccc(-c2ccc(Oc3nccc4occc34)cc2C)c(C)n1 | 10.1021/acs.jmedchem.9b00351 | |||
71563082 | 87315 | None | 0 | Human | Functional | pEC50 | = | 6.1 | 6.1 | -5 | 2 | ChEMBL | 343 | 1 | 2 | 3 | 3.9 | Cc1cc2c(cc1O)[C@H]1C[C@](O)(c3ccc(Cl)cc3)CCN1CC2 | 10.1016/j.bmcl.2012.12.046 | |||
CHEMBL2331599 | 87315 | None | 0 | Human | Functional | pEC50 | = | 6.1 | 6.1 | -5 | 2 | ChEMBL | 343 | 1 | 2 | 3 | 3.9 | Cc1cc2c(cc1O)[C@H]1C[C@](O)(c3ccc(Cl)cc3)CCN1CC2 | 10.1016/j.bmcl.2012.12.046 | |||
86293768 | 118879 | None | 0 | Human | Functional | pEC50 | = | 7.1 | 7.1 | - | 1 | ChEMBL | 435 | 5 | 2 | 3 | 4.4 | C[C@H]1c2cccc(CC(C)(C)O)c2C[C@H](CO)N1C(=O)Cc1c(Cl)cccc1Cl | 10.1021/acs.jmedchem.9b01234 | |||
CHEMBL3421836 | 118879 | None | 0 | Human | Functional | pEC50 | = | 7.1 | 7.1 | - | 1 | ChEMBL | 435 | 5 | 2 | 3 | 4.4 | C[C@H]1c2cccc(CC(C)(C)O)c2C[C@H](CO)N1C(=O)Cc1c(Cl)cccc1Cl | 10.1021/acs.jmedchem.9b01234 | |||
10664137 | 162850 | None | 0 | Goldfish | Functional | pEC50 | = | 7.1 | 7.1 | - | 1 | ChEMBL | 329 | 3 | 3 | 4 | 4.1 | CCCCc1cc2c(s1)CN[C@H]1CCc3cc(O)c(O)cc3[C@H]21 | 10.1021/jm970038v | |||
CHEMBL417164 | 162850 | None | 0 | Goldfish | Functional | pEC50 | = | 7.1 | 7.1 | - | 1 | ChEMBL | 329 | 3 | 3 | 4 | 4.1 | CCCCc1cc2c(s1)CN[C@H]1CCc3cc(O)c(O)cc3[C@H]21 | 10.1021/jm970038v | |||
130442508 | 171186 | None | 0 | Human | Functional | pEC50 | = | 7.1 | 7.1 | - | 1 | ChEMBL | 346 | 4 | 0 | 5 | 5.3 | COc1ccc(-c2ccc(Oc3nccc4occc34)cc2C)c(C)n1 | 10.1021/acs.jmedchem.9b00351 | |||
CHEMBL4457399 | 171186 | None | 0 | Human | Functional | pEC50 | = | 7.1 | 7.1 | - | 1 | ChEMBL | 346 | 4 | 0 | 5 | 5.3 | COc1ccc(-c2ccc(Oc3nccc4occc34)cc2C)c(C)n1 | 10.1021/acs.jmedchem.9b00351 | |||
146025725 | 171652 | None | 0 | Human | Functional | pEC50 | = | 6.1 | 6.1 | - | 1 | ChEMBL | 435 | 4 | 0 | 5 | 6.8 | FC(F)(F)c1cc(Oc2nccc3occ(C4CC4)c23)ccc1-c1cccc2nccn12 | 10.1021/acs.jmedchem.9b00351 | |||
CHEMBL4464545 | 171652 | None | 0 | Human | Functional | pEC50 | = | 6.1 | 6.1 | - | 1 | ChEMBL | 435 | 4 | 0 | 5 | 6.8 | FC(F)(F)c1cc(Oc2nccc3occ(C4CC4)c23)ccc1-c1cccc2nccn12 | 10.1021/acs.jmedchem.9b00351 | |||
146025725 | 171652 | None | 0 | Human | Functional | pEC50 | = | 6.1 | 6.1 | - | 1 | ChEMBL | 435 | 4 | 0 | 5 | 6.8 | FC(F)(F)c1cc(Oc2nccc3occ(C4CC4)c23)ccc1-c1cccc2nccn12 | 10.1021/acs.jmedchem.9b00351 | |||
CHEMBL4464545 | 171652 | None | 0 | Human | Functional | pEC50 | = | 6.1 | 6.1 | - | 1 | ChEMBL | 435 | 4 | 0 | 5 | 6.8 | FC(F)(F)c1cc(Oc2nccc3occ(C4CC4)c23)ccc1-c1cccc2nccn12 | 10.1021/acs.jmedchem.9b00351 | |||
71722295 | 102522 | None | 0 | Human | Functional | pEC50 | = | 7.1 | 7.1 | -1 | 2 | ChEMBL | 357 | 2 | 2 | 3 | 4.4 | CN1CCc2ccc(Cc3ccccc3)c3c2[C@H]1Cc1ccc(O)c(O)c1-3 | 10.1016/j.bmc.2013.05.014 | |||
CHEMBL2397381 | 102522 | None | 0 | Human | Functional | pEC50 | = | 7.1 | 7.1 | -1 | 2 | ChEMBL | 357 | 2 | 2 | 3 | 4.4 | CN1CCc2ccc(Cc3ccccc3)c3c2[C@H]1Cc1ccc(O)c(O)c1-3 | 10.1016/j.bmc.2013.05.014 | |||
CHEMBL3040115 | 102522 | None | 0 | Human | Functional | pEC50 | = | 7.1 | 7.1 | -1 | 2 | ChEMBL | 357 | 2 | 2 | 3 | 4.4 | CN1CCc2ccc(Cc3ccccc3)c3c2[C@H]1Cc1ccc(O)c(O)c1-3 | 10.1016/j.bmc.2013.05.014 | |||
10546132 | 161349 | None | 0 | Goldfish | Functional | pEC50 | = | 7.1 | 7.1 | - | 1 | ChEMBL | 355 | 1 | 3 | 4 | 4.8 | Oc1cc2c(cc1O)[C@@H]1c3sc(C4CCCCC4)cc3CN[C@H]1CC2 | 10.1021/jm970038v | |||
CHEMBL41196 | 161349 | None | 0 | Goldfish | Functional | pEC50 | = | 7.1 | 7.1 | - | 1 | ChEMBL | 355 | 1 | 3 | 4 | 4.8 | Oc1cc2c(cc1O)[C@@H]1c3sc(C4CCCCC4)cc3CN[C@H]1CC2 | 10.1021/jm970038v | |||
146025711 | 173135 | None | 0 | Human | Functional | pEC50 | = | 7.1 | 7.1 | - | 1 | ChEMBL | 355 | 3 | 0 | 5 | 5.6 | Cc1cc(Oc2cccc3occc23)ccc1-c1c(C)ncc2nccn12 | 10.1021/acs.jmedchem.9b00351 | |||
CHEMBL4518891 | 173135 | None | 0 | Human | Functional | pEC50 | = | 7.1 | 7.1 | - | 1 | ChEMBL | 355 | 3 | 0 | 5 | 5.6 | Cc1cc(Oc2cccc3occc23)ccc1-c1c(C)ncc2nccn12 | 10.1021/acs.jmedchem.9b00351 | |||
146025711 | 173135 | None | 0 | Human | Functional | pEC50 | = | 7.1 | 7.1 | - | 1 | ChEMBL | 355 | 3 | 0 | 5 | 5.6 | Cc1cc(Oc2cccc3occc23)ccc1-c1c(C)ncc2nccn12 | 10.1021/acs.jmedchem.9b00351 | |||
CHEMBL4518891 | 173135 | None | 0 | Human | Functional | pEC50 | = | 7.1 | 7.1 | - | 1 | ChEMBL | 355 | 3 | 0 | 5 | 5.6 | Cc1cc(Oc2cccc3occc23)ccc1-c1c(C)ncc2nccn12 | 10.1021/acs.jmedchem.9b00351 | |||
71562964 | 87609 | None | 0 | Human | Functional | pEC50 | = | 8.1 | 8.1 | - | 1 | ChEMBL | 359 | 2 | 2 | 4 | 3.6 | COc1cc2c(cc1O)[C@H]1C[C@@](O)(c3ccc(Cl)cc3)CCN1CC2 | 10.1016/j.bmcl.2012.12.046 | |||
CHEMBL2335740 | 87609 | None | 0 | Human | Functional | pEC50 | = | 8.1 | 8.1 | - | 1 | ChEMBL | 359 | 2 | 2 | 4 | 3.6 | COc1cc2c(cc1O)[C@H]1C[C@@](O)(c3ccc(Cl)cc3)CCN1CC2 | 10.1016/j.bmcl.2012.12.046 | |||
6603703 | 208 | None | 8 | Goldfish | Functional | pEC50 | = | 8.1 | 8.1 | -2 | 18 | ChEMBL | 329 | 2 | 3 | 4 | 3.3 | NC[C@@H]1O[C@@H](Cc2c1ccc(c2O)O)C12CC3CC(C2)CC(C1)C3 | 10.1021/jm970038v | |||
9637 | 208 | None | 8 | Goldfish | Functional | pEC50 | = | 8.1 | 8.1 | -2 | 18 | ChEMBL | 329 | 2 | 3 | 4 | 3.3 | NC[C@@H]1O[C@@H](Cc2c1ccc(c2O)O)C12CC3CC(C2)CC(C1)C3 | 10.1021/jm970038v | |||
CHEMBL291143 | 208 | None | 8 | Goldfish | Functional | pEC50 | = | 8.1 | 8.1 | -2 | 18 | ChEMBL | 329 | 2 | 3 | 4 | 3.3 | NC[C@@H]1O[C@@H](Cc2c1ccc(c2O)O)C12CC3CC(C2)CC(C1)C3 | 10.1021/jm970038v | |||
64638 | 106197 | None | 1 | Rat | Functional | pEC50 | = | 8.1 | 8.1 | -1 | 2 | ChEMBL | 329 | 2 | 3 | 4 | 3.3 | NC[C@@H]1OC(C23C[C@H]4C[C@@H](C2)C[C@@H](C3)C4)Cc2c1ccc(O)c2O | 10.1021/jm00112a034 | |||
CHEMBL313530 | 106197 | None | 1 | Rat | Functional | pEC50 | = | 8.1 | 8.1 | -1 | 2 | ChEMBL | 329 | 2 | 3 | 4 | 3.3 | NC[C@@H]1OC(C23C[C@H]4C[C@@H](C2)C[C@@H](C3)C4)Cc2c1ccc(O)c2O | 10.1021/jm00112a034 | |||
44276551 | 97429 | None | 0 | Human | Functional | pEC50 | = | 8.1 | 8.1 | - | 1 | ChEMBL | 310 | 2 | 3 | 4 | 3.0 | CCCc1ccc2c(n1)CN[C@@H]1CCc3cc(O)c(O)cc3[C@@H]21 | 10.1016/s0960-894x(99)00214-0 | |||
CHEMBL26965 | 97429 | None | 0 | Human | Functional | pEC50 | = | 8.1 | 8.1 | - | 1 | ChEMBL | 310 | 2 | 3 | 4 | 3.0 | CCCc1ccc2c(n1)CN[C@@H]1CCc3cc(O)c(O)cc3[C@@H]21 | 10.1016/s0960-894x(99)00214-0 | |||
44276552 | 99934 | None | 0 | Human | Functional | pEC50 | = | 8.1 | 8.1 | - | 1 | ChEMBL | 298 | 1 | 3 | 5 | 2.1 | COc1ccc2c(n1)CN[C@@H]1CCc3cc(O)c(O)cc3[C@@H]21 | 10.1016/s0960-894x(99)00214-0 | |||
CHEMBL285924 | 99934 | None | 0 | Human | Functional | pEC50 | = | 8.1 | 8.1 | - | 1 | ChEMBL | 298 | 1 | 3 | 5 | 2.1 | COc1ccc2c(n1)CN[C@@H]1CCc3cc(O)c(O)cc3[C@@H]21 | 10.1016/s0960-894x(99)00214-0 | |||
10497993 | 168577 | None | 0 | Goldfish | Functional | pEC50 | = | 7.1 | 7.1 | - | 1 | ChEMBL | 349 | 1 | 3 | 4 | 4.4 | Oc1cc2c(cc1O)[C@@H]1c3cc(-c4ccccc4)sc3CN[C@H]1CC2 | 10.1021/jm970038v | |||
CHEMBL43514 | 168577 | None | 0 | Goldfish | Functional | pEC50 | = | 7.1 | 7.1 | - | 1 | ChEMBL | 349 | 1 | 3 | 4 | 4.4 | Oc1cc2c(cc1O)[C@@H]1c3cc(-c4ccccc4)sc3CN[C@H]1CC2 | 10.1021/jm970038v | |||
44276572 | 96701 | None | 0 | Human | Functional | pEC50 | = | 6.1 | 6.1 | - | 1 | ChEMBL | 286 | 0 | 3 | 4 | 2.2 | Oc1cc2c(cc1O)[C@H]1c3cncc(F)c3CN[C@@H]1CC2 | 10.1016/s0960-894x(99)00214-0 | |||
CHEMBL26365 | 96701 | None | 0 | Human | Functional | pEC50 | = | 6.1 | 6.1 | - | 1 | ChEMBL | 286 | 0 | 3 | 4 | 2.2 | Oc1cc2c(cc1O)[C@H]1c3cncc(F)c3CN[C@@H]1CC2 | 10.1016/s0960-894x(99)00214-0 | |||
75201961 | 169733 | None | 0 | Human | Functional | pEC50 | = | 7.1 | 7.1 | - | 1 | ChEMBL | 331 | 3 | 0 | 5 | 5.0 | Cc1cc(Oc2nccc3occc23)ccc1-c1c(C)cnnc1C | 10.1021/acsmedchemlett.9b00050 | |||
CHEMBL4437012 | 169733 | None | 0 | Human | Functional | pEC50 | = | 7.1 | 7.1 | - | 1 | ChEMBL | 331 | 3 | 0 | 5 | 5.0 | Cc1cc(Oc2nccc3occc23)ccc1-c1c(C)cnnc1C | 10.1021/acsmedchemlett.9b00050 | |||
146192955 | 171629 | None | 0 | Human | Functional | pEC50 | = | 7.1 | 7.1 | - | 1 | ChEMBL | 409 | 4 | 1 | 4 | 3.8 | C[C@H]1c2cccc(-c3cnn(C)c3)c2C[C@H](CO)N1C(=O)Cc1ccccc1Cl | 10.1021/acsmedchemlett.9b00547 | |||
CHEMBL4464215 | 171629 | None | 0 | Human | Functional | pEC50 | = | 7.1 | 7.1 | - | 1 | ChEMBL | 409 | 4 | 1 | 4 | 3.8 | C[C@H]1c2cccc(-c3cnn(C)c3)c2C[C@H](CO)N1C(=O)Cc1ccccc1Cl | 10.1021/acsmedchemlett.9b00547 | |||
10519436 | 11230 | None | 0 | Goldfish | Functional | pEC50 | = | 7.1 | 7.1 | - | 1 | ChEMBL | 315 | 2 | 3 | 4 | 3.7 | CCCc1scc2c1CN[C@@H]1CCc3cc(O)c(O)cc3[C@@H]21 | 10.1021/jm970038v | |||
CHEMBL1178784 | 11230 | None | 0 | Goldfish | Functional | pEC50 | = | 7.1 | 7.1 | - | 1 | ChEMBL | 315 | 2 | 3 | 4 | 3.7 | CCCc1scc2c1CN[C@@H]1CCc3cc(O)c(O)cc3[C@@H]21 | 10.1021/jm970038v | |||
CHEMBL41238 | 11230 | None | 0 | Goldfish | Functional | pEC50 | = | 7.1 | 7.1 | - | 1 | ChEMBL | 315 | 2 | 3 | 4 | 3.7 | CCCc1scc2c1CN[C@@H]1CCc3cc(O)c(O)cc3[C@@H]21 | 10.1021/jm970038v | |||
118445551 | 167411 | None | 0 | Human | Functional | pEC50 | = | 6.1 | 6.1 | - | 1 | ChEMBL | 327 | 3 | 0 | 5 | 4.9 | c1cc(-c2ccc(Oc3nccc4occc34)cc2)n2ccnc2c1 | 10.1021/acs.jmedchem.8b01622 | |||
CHEMBL4294009 | 167411 | None | 0 | Human | Functional | pEC50 | = | 6.1 | 6.1 | - | 1 | ChEMBL | 327 | 3 | 0 | 5 | 4.9 | c1cc(-c2ccc(Oc3nccc4occc34)cc2)n2ccnc2c1 | 10.1021/acs.jmedchem.8b01622 | |||
13851595 | 174609 | None | 0 | Human | Functional | pEC50 | = | 7.1 | 7.1 | -489 | 2 | ChEMBL | 245 | 2 | 1 | 2 | 3.0 | CCCN1CCC[C@@H]2Cc3c(O)cccc3C[C@H]21 | 10.1016/j.bmc.2013.11.012 | |||
CHEMBL3098131 | 174609 | None | 0 | Human | Functional | pEC50 | = | 7.1 | 7.1 | -489 | 2 | ChEMBL | 245 | 2 | 1 | 2 | 3.0 | CCCN1CCC[C@@H]2Cc3c(O)cccc3C[C@H]21 | 10.1016/j.bmc.2013.11.012 | |||
CHEMBL455497 | 174609 | None | 0 | Human | Functional | pEC50 | = | 7.1 | 7.1 | -489 | 2 | ChEMBL | 245 | 2 | 1 | 2 | 3.0 | CCCN1CCC[C@@H]2Cc3c(O)cccc3C[C@H]21 | 10.1016/j.bmc.2013.11.012 | |||
85090338 | 180867 | None | 0 | Human | Functional | pEC50 | = | 7.1 | 7.1 | -3 | 2 | ChEMBL | 389 | 4 | 0 | 6 | 3.4 | COc1ccc(-n2c(CC(C)C)nc3c(c(=O)c4ccccc4n3C)c2=O)cc1 | 10.1016/j.bmcl.2020.127696 | |||
CHEMBL4756163 | 180867 | None | 0 | Human | Functional | pEC50 | = | 7.1 | 7.1 | -3 | 2 | ChEMBL | 389 | 4 | 0 | 6 | 3.4 | COc1ccc(-n2c(CC(C)C)nc3c(c(=O)c4ccccc4n3C)c2=O)cc1 | 10.1016/j.bmcl.2020.127696 | |||
14809026 | 208245 | None | 1 | Human | Functional | pEC50 | = | 5.1 | 5.1 | -2 | 2 | ChEMBL | 271 | 2 | 3 | 4 | 2.4 | NC[C@H]1O[C@@H](c2ccccc2)Cc2c1ccc(O)c2O | 10.1021/jm00173a005 | |||
CHEMBL83080 | 208245 | None | 1 | Human | Functional | pEC50 | = | 5.1 | 5.1 | -2 | 2 | ChEMBL | 271 | 2 | 3 | 4 | 2.4 | NC[C@H]1O[C@@H](c2ccccc2)Cc2c1ccc(O)c2O | 10.1021/jm00173a005 | |||
14809026 | 208245 | None | 1 | Human | Functional | pEC50 | = | 5.1 | 5.1 | -2 | 2 | ChEMBL | 271 | 2 | 3 | 4 | 2.4 | NC[C@H]1O[C@@H](c2ccccc2)Cc2c1ccc(O)c2O | 10.1021/jm00112a034 | |||
CHEMBL83080 | 208245 | None | 1 | Human | Functional | pEC50 | = | 5.1 | 5.1 | -2 | 2 | ChEMBL | 271 | 2 | 3 | 4 | 2.4 | NC[C@H]1O[C@@H](c2ccccc2)Cc2c1ccc(O)c2O | 10.1021/jm00112a034 | |||
10684714 | 100364 | None | 0 | Goldfish | Functional | pEC50 | = | 7.1 | 7.1 | - | 1 | ChEMBL | 287 | 0 | 3 | 4 | 3.0 | Cc1cc2c(s1)CN[C@H]1CCc3cc(O)c(O)cc3[C@H]21 | 10.1021/jm970038v | |||
CHEMBL2115372 | 100364 | None | 0 | Goldfish | Functional | pEC50 | = | 7.1 | 7.1 | - | 1 | ChEMBL | 287 | 0 | 3 | 4 | 3.0 | Cc1cc2c(s1)CN[C@H]1CCc3cc(O)c(O)cc3[C@H]21 | 10.1021/jm970038v | |||
CHEMBL289283 | 100364 | None | 0 | Goldfish | Functional | pEC50 | = | 7.1 | 7.1 | - | 1 | ChEMBL | 287 | 0 | 3 | 4 | 3.0 | Cc1cc2c(s1)CN[C@H]1CCc3cc(O)c(O)cc3[C@H]21 | 10.1021/jm970038v | |||
146025817 | 176121 | None | 0 | Human | Functional | pEC50 | = | 7.1 | 7.1 | 66 | 2 | ChEMBL | 309 | 2 | 0 | 3 | 3.8 | COc1ccc2c(c1OC)-c1ccc(C)c3c1[C@@H](C2)N(C)CC3 | 10.1021/acsmedchemlett.9b00575 | |||
CHEMBL4589737 | 176121 | None | 0 | Human | Functional | pEC50 | = | 7.1 | 7.1 | 66 | 2 | ChEMBL | 309 | 2 | 0 | 3 | 3.8 | COc1ccc2c(c1OC)-c1ccc(C)c3c1[C@@H](C2)N(C)CC3 | 10.1021/acsmedchemlett.9b00575 | |||
146025817 | 176121 | None | 0 | Human | Functional | pEC50 | = | 7.1 | 7.1 | 66 | 2 | ChEMBL | 309 | 2 | 0 | 3 | 3.8 | COc1ccc2c(c1OC)-c1ccc(C)c3c1[C@@H](C2)N(C)CC3 | 10.1021/acsmedchemlett.9b00575 | |||
CHEMBL4589737 | 176121 | None | 0 | Human | Functional | pEC50 | = | 7.1 | 7.1 | 66 | 2 | ChEMBL | 309 | 2 | 0 | 3 | 3.8 | COc1ccc2c(c1OC)-c1ccc(C)c3c1[C@@H](C2)N(C)CC3 | 10.1021/acsmedchemlett.9b00575 | |||
6603820 | 95827 | None | 16 | Goldfish | Functional | pEC50 | = | 7.1 | 7.1 | -6 | 7 | ChEMBL | 267 | 0 | 3 | 3 | 2.6 | Oc1cc2c(cc1O)[C@H]1c3ccccc3CN[C@@H]1CC2 | 10.1021/jm970038v | |||
CHEMBL25856 | 95827 | None | 16 | Goldfish | Functional | pEC50 | = | 7.1 | 7.1 | -6 | 7 | ChEMBL | 267 | 0 | 3 | 3 | 2.6 | Oc1cc2c(cc1O)[C@H]1c3ccccc3CN[C@@H]1CC2 | 10.1021/jm970038v | |||
10592479 | 100319 | None | 0 | Goldfish | Functional | pEC50 | = | 7.1 | 7.1 | - | 1 | ChEMBL | 329 | 2 | 3 | 4 | 3.9 | CC(C)Cc1cc2c(s1)CN[C@H]1CCc3cc(O)c(O)cc3[C@H]21 | 10.1021/jm970038v | |||
CHEMBL288846 | 100319 | None | 0 | Goldfish | Functional | pEC50 | = | 7.1 | 7.1 | - | 1 | ChEMBL | 329 | 2 | 3 | 4 | 3.9 | CC(C)Cc1cc2c(s1)CN[C@H]1CCc3cc(O)c(O)cc3[C@H]21 | 10.1021/jm970038v | |||
146025705 | 170717 | None | 0 | Human | Functional | pEC50 | = | 7.1 | 7.1 | - | 1 | ChEMBL | 369 | 3 | 0 | 6 | 4.9 | Cc1cc(N(C)c2nccc3occc23)ccc1-c1c(C)ncc2nccn12 | 10.1021/acs.jmedchem.9b00351 | |||
CHEMBL4450916 | 170717 | None | 0 | Human | Functional | pEC50 | = | 7.1 | 7.1 | - | 1 | ChEMBL | 369 | 3 | 0 | 6 | 4.9 | Cc1cc(N(C)c2nccc3occc23)ccc1-c1c(C)ncc2nccn12 | 10.1021/acs.jmedchem.9b00351 | |||
44554982 | 104317 | None | 0 | Human | Functional | pEC50 | = | 7.1 | 7.1 | -58 | 2 | ChEMBL | 327 | 4 | 1 | 5 | 2.2 | CCCN1C[C@H](Cn2cccn2)O[C@@H]2Cc3c(O)cccc3C[C@H]21 | 10.1016/j.bmc.2013.11.012 | |||
CHEMBL3099230 | 104317 | None | 0 | Human | Functional | pEC50 | = | 7.1 | 7.1 | -58 | 2 | ChEMBL | 327 | 4 | 1 | 5 | 2.2 | CCCN1C[C@H](Cn2cccn2)O[C@@H]2Cc3c(O)cccc3C[C@H]21 | 10.1016/j.bmc.2013.11.012 | |||
44320257 | 208633 | None | 0 | Human | Functional | pEC50 | = | 7.1 | 7.1 | 2 | 2 | ChEMBL | 315 | 5 | 3 | 5 | 2.3 | NC[C@@H]1OC(COCc2ccccc2)Cc2c1ccc(O)c2O | 10.1021/jm00112a034 | |||
CHEMBL86325 | 208633 | None | 0 | Human | Functional | pEC50 | = | 7.1 | 7.1 | 2 | 2 | ChEMBL | 315 | 5 | 3 | 5 | 2.3 | NC[C@@H]1OC(COCc2ccccc2)Cc2c1ccc(O)c2O | 10.1021/jm00112a034 | |||
146025705 | 170717 | None | 0 | Human | Functional | pEC50 | = | 7.1 | 7.1 | - | 1 | ChEMBL | 369 | 3 | 0 | 6 | 4.9 | Cc1cc(N(C)c2nccc3occc23)ccc1-c1c(C)ncc2nccn12 | 10.1021/acs.jmedchem.9b00351 | |||
CHEMBL4450916 | 170717 | None | 0 | Human | Functional | pEC50 | = | 7.1 | 7.1 | - | 1 | ChEMBL | 369 | 3 | 0 | 6 | 4.9 | Cc1cc(N(C)c2nccc3occc23)ccc1-c1c(C)ncc2nccn12 | 10.1021/acs.jmedchem.9b00351 | |||
90142280 | 167392 | None | 2 | Human | Functional | pEC50 | = | 6.1 | 6.1 | - | 1 | ChEMBL | 361 | 3 | 0 | 5 | 5.9 | Cc1cc(Oc2nccc3occc23)ccc1-c1c(C)cnn1C(C)(C)C | 10.1021/acs.jmedchem.8b01622 | |||
CHEMBL4293757 | 167392 | None | 2 | Human | Functional | pEC50 | = | 6.1 | 6.1 | - | 1 | ChEMBL | 361 | 3 | 0 | 5 | 5.9 | Cc1cc(Oc2nccc3occc23)ccc1-c1c(C)cnn1C(C)(C)C | 10.1021/acs.jmedchem.8b01622 | |||
9841398 | 99573 | None | 4 | Human | Functional | pEC50 | = | 8.1 | 8.1 | 2 | 3 | ChEMBL | 315 | 2 | 3 | 4 | 3.7 | CCCc1cc2c(s1)CN[C@@H]1CCc3cc(O)c(O)cc3[C@@H]21 | 10.1016/s0960-894x(99)00214-0 | |||
CHEMBL28338 | 99573 | None | 4 | Human | Functional | pEC50 | = | 8.1 | 8.1 | 2 | 3 | ChEMBL | 315 | 2 | 3 | 4 | 3.7 | CCCc1cc2c(s1)CN[C@@H]1CCc3cc(O)c(O)cc3[C@@H]21 | 10.1016/s0960-894x(99)00214-0 | |||
10546131 | 100463 | None | 0 | Goldfish | Functional | pEC50 | = | 7.0 | 7.0 | - | 1 | ChEMBL | 355 | 1 | 3 | 4 | 4.8 | Oc1cc2c(cc1O)[C@@H]1c3cc(C4CCCCC4)sc3CN[C@H]1CC2 | 10.1021/jm970038v | |||
CHEMBL290149 | 100463 | None | 0 | Goldfish | Functional | pEC50 | = | 7.0 | 7.0 | - | 1 | ChEMBL | 355 | 1 | 3 | 4 | 4.8 | Oc1cc2c(cc1O)[C@@H]1c3cc(C4CCCCC4)sc3CN[C@H]1CC2 | 10.1021/jm970038v | |||
6852376 | 91633 | None | 9 | Goldfish | Functional | pEC50 | = | 6.0 | 6.0 | -16 | 4 | ChEMBL | 255 | 1 | 3 | 3 | 2.4 | Oc1cc2c(cc1O)[C@@H](c1ccccc1)CNCC2 | 10.1021/jm970038v | |||
CHEMBL1467585 | 91633 | None | 9 | Goldfish | Functional | pEC50 | = | 6.0 | 6.0 | -16 | 4 | ChEMBL | 255 | 1 | 3 | 3 | 2.4 | Oc1cc2c(cc1O)[C@@H](c1ccccc1)CNCC2 | 10.1021/jm970038v | |||
CHEMBL24077 | 91633 | None | 9 | Goldfish | Functional | pEC50 | = | 6.0 | 6.0 | -16 | 4 | ChEMBL | 255 | 1 | 3 | 3 | 2.4 | Oc1cc2c(cc1O)[C@@H](c1ccccc1)CNCC2 | 10.1021/jm970038v | |||
CHEMBL503958 | 91633 | None | 9 | Goldfish | Functional | pEC50 | = | 6.0 | 6.0 | -16 | 4 | ChEMBL | 255 | 1 | 3 | 3 | 2.4 | Oc1cc2c(cc1O)[C@@H](c1ccccc1)CNCC2 | 10.1021/jm970038v | |||
155558060 | 174788 | None | 0 | Human | Functional | pEC50 | = | 6.0 | 6.0 | - | 1 | ChEMBL | 414 | 4 | 1 | 6 | 3.0 | Cc1c(-c2c(C)c(=O)[nH]c(=O)n2C)ccc2c1CCN2c1ncccc1OC(F)F | 10.1021/acsmedchemlett.9b00050 | |||
CHEMBL4559240 | 174788 | None | 0 | Human | Functional | pEC50 | = | 6.0 | 6.0 | - | 1 | ChEMBL | 414 | 4 | 1 | 6 | 3.0 | Cc1c(-c2c(C)c(=O)[nH]c(=O)n2C)ccc2c1CCN2c1ncccc1OC(F)F | 10.1021/acsmedchemlett.9b00050 | |||
146025822 | 173895 | None | 0 | Human | Functional | pEC50 | = | 6.0 | 6.0 | - | 1 | ChEMBL | 393 | 3 | 0 | 5 | 4.4 | CC(=O)Oc1c(C(C)C)cc2c(c1OC(C)=O)-c1cccc3c1[C@@H](C2)N(C)CC3 | 10.1021/acsmedchemlett.9b00575 | |||
CHEMBL4537900 | 173895 | None | 0 | Human | Functional | pEC50 | = | 6.0 | 6.0 | - | 1 | ChEMBL | 393 | 3 | 0 | 5 | 4.4 | CC(=O)Oc1c(C(C)C)cc2c(c1OC(C)=O)-c1cccc3c1[C@@H](C2)N(C)CC3 | 10.1021/acsmedchemlett.9b00575 | |||
146025822 | 173895 | None | 0 | Human | Functional | pEC50 | = | 6.0 | 6.0 | - | 1 | ChEMBL | 393 | 3 | 0 | 5 | 4.4 | CC(=O)Oc1c(C(C)C)cc2c(c1OC(C)=O)-c1cccc3c1[C@@H](C2)N(C)CC3 | 10.1021/acsmedchemlett.9b00575 | |||
CHEMBL4537900 | 173895 | None | 0 | Human | Functional | pEC50 | = | 6.0 | 6.0 | - | 1 | ChEMBL | 393 | 3 | 0 | 5 | 4.4 | CC(=O)Oc1c(C(C)C)cc2c(c1OC(C)=O)-c1cccc3c1[C@@H](C2)N(C)CC3 | 10.1021/acsmedchemlett.9b00575 | |||
3036864 | 205211 | None | 16 | Human | Functional | pIC50 | = | 9.4 | 9.4 | -7 | 13 | ChEMBL | 287 | 1 | 1 | 2 | 3.7 | CN1CCc2cc(Cl)c(O)cc2[C@@H](c2ccccc2)C1 | 10.1021/acs.jmedchem.3c00976 | |||
CHEMBL1256645 | 205211 | None | 16 | Human | Functional | pIC50 | = | 9.4 | 9.4 | -7 | 13 | ChEMBL | 287 | 1 | 1 | 2 | 3.7 | CN1CCc2cc(Cl)c(O)cc2[C@@H](c2ccccc2)C1 | 10.1021/acs.jmedchem.3c00976 | |||
CHEMBL1814790 | 205211 | None | 16 | Human | Functional | pIC50 | = | 9.4 | 9.4 | -7 | 13 | ChEMBL | 287 | 1 | 1 | 2 | 3.7 | CN1CCc2cc(Cl)c(O)cc2[C@@H](c2ccccc2)C1 | 10.1021/acs.jmedchem.3c00976 | |||
CHEMBL62 | 205211 | None | 16 | Human | Functional | pIC50 | = | 9.4 | 9.4 | -7 | 13 | ChEMBL | 287 | 1 | 1 | 2 | 3.7 | CN1CCc2cc(Cl)c(O)cc2[C@@H](c2ccccc2)C1 | 10.1021/acs.jmedchem.3c00976 | |||
107930 | 1529 | None | 25 | Human | Functional | pIC50 | = | 8.8 | 8.8 | 10471 | 2 | ChEMBL | 313 | 0 | 1 | 2 | 4.0 | CN1CCc2c([C@@H]3[C@@H]1CCc1c3cccc1)cc(c(c2)Cl)O | 10.1016/j.bmcl.2020.127305 | |||
107930.0 | 1529 | None | 25 | Human | Functional | pIC50 | = | 8.8 | 8.8 | 10471 | 2 | ChEMBL | 313 | 0 | 1 | 2 | 4.0 | CN1CCc2c([C@@H]3[C@@H]1CCc1c3cccc1)cc(c(c2)Cl)O | 10.1016/j.bmcl.2020.127305 | |||
3304 | 1529 | None | 25 | Human | Functional | pIC50 | = | 8.8 | 8.8 | 10471 | 2 | ChEMBL | 313 | 0 | 1 | 2 | 4.0 | CN1CCc2c([C@@H]3[C@@H]1CCc1c3cccc1)cc(c(c2)Cl)O | 10.1016/j.bmcl.2020.127305 | |||
CHEMBL298406 | 1529 | None | 25 | Human | Functional | pIC50 | = | 8.8 | 8.8 | 10471 | 2 | ChEMBL | 313 | 0 | 1 | 2 | 4.0 | CN1CCc2c([C@@H]3[C@@H]1CCc1c3cccc1)cc(c(c2)Cl)O | 10.1016/j.bmcl.2020.127305 | |||
DB12273 | 1529 | None | 25 | Human | Functional | pIC50 | = | 8.8 | 8.8 | 10471 | 2 | ChEMBL | 313 | 0 | 1 | 2 | 4.0 | CN1CCc2c([C@@H]3[C@@H]1CCc1c3cccc1)cc(c(c2)Cl)O | 10.1016/j.bmcl.2020.127305 | |||
3036864 | 205211 | None | 16 | Human | Functional | pIC50 | = | 8.8 | 8.8 | -7 | 13 | ChEMBL | 287 | 1 | 1 | 2 | 3.7 | CN1CCc2cc(Cl)c(O)cc2[C@@H](c2ccccc2)C1 | 10.1021/jm401895u | |||
CHEMBL1256645 | 205211 | None | 16 | Human | Functional | pIC50 | = | 8.8 | 8.8 | -7 | 13 | ChEMBL | 287 | 1 | 1 | 2 | 3.7 | CN1CCc2cc(Cl)c(O)cc2[C@@H](c2ccccc2)C1 | 10.1021/jm401895u | |||
CHEMBL1814790 | 205211 | None | 16 | Human | Functional | pIC50 | = | 8.8 | 8.8 | -7 | 13 | ChEMBL | 287 | 1 | 1 | 2 | 3.7 | CN1CCc2cc(Cl)c(O)cc2[C@@H](c2ccccc2)C1 | 10.1021/jm401895u | |||
CHEMBL62 | 205211 | None | 16 | Human | Functional | pIC50 | = | 8.8 | 8.8 | -7 | 13 | ChEMBL | 287 | 1 | 1 | 2 | 3.7 | CN1CCc2cc(Cl)c(O)cc2[C@@H](c2ccccc2)C1 | 10.1021/jm401895u | |||
155561845 | 175822 | None | 0 | Human | Functional | pIC50 | = | 6.0 | 6.0 | -5 | 2 | ChEMBL | 295 | 0 | 1 | 4 | 2.8 | Oc1cccc2c1CC1c3cc4c(cc3CCN1C2)OCO4 | 10.1016/j.bmc.2019.04.014 | |||
CHEMBL4582377 | 175822 | None | 0 | Human | Functional | pIC50 | = | 6.0 | 6.0 | -5 | 2 | ChEMBL | 295 | 0 | 1 | 4 | 2.8 | Oc1cccc2c1CC1c3cc4c(cc3CCN1C2)OCO4 | 10.1016/j.bmc.2019.04.014 | |||
168475865 | 196962 | None | 3 | Human | Functional | pIC50 | = | 7.0 | 7.0 | - | 1 | ChEMBL | 447 | 5 | 2 | 5 | 4.7 | CCCOc1cc2c(cc1O)[C@@H]1Cc3c(Br)cc(O)c(OCC)c3CN1CC2 | 10.1021/acs.jmedchem.3c00976 | |||
CHEMBL5435602 | 196962 | None | 3 | Human | Functional | pIC50 | = | 7.0 | 7.0 | - | 1 | ChEMBL | 447 | 5 | 2 | 5 | 4.7 | CCCOc1cc2c(cc1O)[C@@H]1Cc3c(Br)cc(O)c(OCC)c3CN1CC2 | 10.1021/acs.jmedchem.3c00976 | |||
15061351 | 86513 | None | 0 | Human | Functional | pIC50 | = | 6.0 | 6.0 | -2 | 2 | ChEMBL | 367 | 2 | 0 | 6 | 3.0 | COc1ccc2c(c1OC(C)=O)CN1CCc3cc4c(cc3C1C2)OCO4 | 10.1016/j.bmc.2019.04.014 | |||
CHEMBL2314734 | 86513 | None | 0 | Human | Functional | pIC50 | = | 6.0 | 6.0 | -2 | 2 | ChEMBL | 367 | 2 | 0 | 6 | 3.0 | COc1ccc2c(c1OC(C)=O)CN1CCc3cc4c(cc3C1C2)OCO4 | 10.1016/j.bmc.2019.04.014 | |||
71453989 | 83561 | None | 0 | Human | Functional | pIC50 | = | 6.0 | 6.0 | -1 | 2 | ChEMBL | 298 | 0 | 0 | 4 | 4.0 | Cn1c2cnc1OCC/C=C\CCCCOc1ccccc1-2 | 10.1021/jm1012374 | |||
CHEMBL2203622 | 83561 | None | 0 | Human | Functional | pIC50 | = | 6.0 | 6.0 | -1 | 2 | ChEMBL | 298 | 0 | 0 | 4 | 4.0 | Cn1c2cnc1OCC/C=C\CCCCOc1ccccc1-2 | 10.1021/jm1012374 | |||
70682088 | 76095 | None | 0 | Human | Functional | pIC50 | = | 4.9 | 4.9 | - | 1 | ChEMBL | 385 | 5 | 0 | 6 | 3.4 | COc1cc2c(c(OC)c1)CN1CCc3cc(OC)c(OC)c(OC)c3[C@@H]1C2 | 10.1016/j.bmc.2012.05.057 | |||
CHEMBL2057446 | 76095 | None | 0 | Human | Functional | pIC50 | = | 4.9 | 4.9 | - | 1 | ChEMBL | 385 | 5 | 0 | 6 | 3.4 | COc1cc2c(c(OC)c1)CN1CCc3cc(OC)c(OC)c(OC)c3[C@@H]1C2 | 10.1016/j.bmc.2012.05.057 | |||
46931072 | 204502 | None | 1 | Human | Functional | pIC50 | = | 5.9 | 5.9 | -1 | 2 | ChEMBL | 386 | 4 | 0 | 4 | 4.9 | CN1CCCC[C@H]1CCN1c2ccccc2Sc2ccc([S+](C)[O-])cc21 | 10.1016/j.bmcl.2004.06.078 | |||
CHEMBL608530 | 204502 | None | 1 | Human | Functional | pIC50 | = | 5.9 | 5.9 | -1 | 2 | ChEMBL | 386 | 4 | 0 | 4 | 4.9 | CN1CCCC[C@H]1CCN1c2ccccc2Sc2ccc([S+](C)[O-])cc21 | 10.1016/j.bmcl.2004.06.078 | |||
3246545 | 204931 | None | 0 | Human | Functional | pIC50 | = | 6.9 | 6.9 | -3 | 3 | ChEMBL | 386 | 4 | 0 | 4 | 4.9 | CN1CCCC[C@@H]1CCN1c2ccccc2Sc2ccc([S+](C)[O-])cc21 | 10.1016/j.bmcl.2004.06.078 | |||
CHEMBL1573438 | 204931 | None | 0 | Human | Functional | pIC50 | = | 6.9 | 6.9 | -3 | 3 | ChEMBL | 386 | 4 | 0 | 4 | 4.9 | CN1CCCC[C@@H]1CCN1c2ccccc2Sc2ccc([S+](C)[O-])cc21 | 10.1016/j.bmcl.2004.06.078 | |||
CHEMBL611207 | 204931 | None | 0 | Human | Functional | pIC50 | = | 6.9 | 6.9 | -3 | 3 | ChEMBL | 386 | 4 | 0 | 4 | 4.9 | CN1CCCC[C@@H]1CCN1c2ccccc2Sc2ccc([S+](C)[O-])cc21 | 10.1016/j.bmcl.2004.06.078 | |||
70690500 | 76100 | None | 0 | Human | Functional | pIC50 | = | 5.9 | 5.9 | - | 1 | ChEMBL | 341 | 3 | 1 | 5 | 3.1 | COc1cc2c(c(OC)c1)CN1CCc3cc(OC)c(O)cc3[C@@H]1C2 | 10.1016/j.bmc.2012.05.057 | |||
CHEMBL2057455 | 76100 | None | 0 | Human | Functional | pIC50 | = | 5.9 | 5.9 | - | 1 | ChEMBL | 341 | 3 | 1 | 5 | 3.1 | COc1cc2c(c(OC)c1)CN1CCc3cc(OC)c(O)cc3[C@@H]1C2 | 10.1016/j.bmc.2012.05.057 | |||
155538443 | 172485 | None | 0 | Human | Functional | pIC50 | = | 5.9 | 5.9 | -2 | 2 | ChEMBL | 295 | 0 | 1 | 4 | 2.8 | Oc1ccc2c(c1)CN1CCc3cc4c(cc3C1C2)OCO4 | 10.1016/j.bmc.2019.04.014 | |||
CHEMBL4476383 | 172485 | None | 0 | Human | Functional | pIC50 | = | 5.9 | 5.9 | -2 | 2 | ChEMBL | 295 | 0 | 1 | 4 | 2.8 | Oc1ccc2c(c1)CN1CCc3cc4c(cc3C1C2)OCO4 | 10.1016/j.bmc.2019.04.014 | |||
146025811 | 171864 | None | 0 | Human | Functional | pIC50 | = | 4.8 | 4.8 | -416 | 2 | ChEMBL | 373 | 2 | 0 | 3 | 4.2 | COc1ccc2c(c1OC)-c1c(Br)ccc3c1[C@@H](C2)N(C)CC3 | 10.1021/acsmedchemlett.9b00575 | |||
CHEMBL4467483 | 171864 | None | 0 | Human | Functional | pIC50 | = | 4.8 | 4.8 | -416 | 2 | ChEMBL | 373 | 2 | 0 | 3 | 4.2 | COc1ccc2c(c1OC)-c1c(Br)ccc3c1[C@@H](C2)N(C)CC3 | 10.1021/acsmedchemlett.9b00575 | |||
1353 | 1911 | None | 63 | Rat | Functional | pIC50 | = | 5.8 | 5.8 | -109 | 39 | ChEMBL | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | 10.1021/jm00393a037 | |||
3559 | 1911 | None | 63 | Rat | Functional | pIC50 | = | 5.8 | 5.8 | -109 | 39 | ChEMBL | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | 10.1021/jm00393a037 | |||
3559.0 | 1911 | None | 63 | Rat | Functional | pIC50 | = | 5.8 | 5.8 | -109 | 39 | ChEMBL | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | 10.1021/jm00393a037 | |||
86 | 1911 | None | 63 | Rat | Functional | pIC50 | = | 5.8 | 5.8 | -109 | 39 | ChEMBL | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | 10.1021/jm00393a037 | |||
CHEMBL54 | 1911 | None | 63 | Rat | Functional | pIC50 | = | 5.8 | 5.8 | -109 | 39 | ChEMBL | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | 10.1021/jm00393a037 | |||
DB00502 | 1911 | None | 63 | Rat | Functional | pIC50 | = | 5.8 | 5.8 | -109 | 39 | ChEMBL | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | 10.1021/jm00393a037 | |||
3036864 | 205211 | None | 16 | Human | Functional | pIC50 | = | 6.8 | 6.8 | -7 | 13 | ChEMBL | 287 | 1 | 1 | 2 | 3.7 | CN1CCc2cc(Cl)c(O)cc2[C@@H](c2ccccc2)C1 | 10.1021/acs.jmedchem.3c00976 | |||
CHEMBL1256645 | 205211 | None | 16 | Human | Functional | pIC50 | = | 6.8 | 6.8 | -7 | 13 | ChEMBL | 287 | 1 | 1 | 2 | 3.7 | CN1CCc2cc(Cl)c(O)cc2[C@@H](c2ccccc2)C1 | 10.1021/acs.jmedchem.3c00976 | |||
CHEMBL1814790 | 205211 | None | 16 | Human | Functional | pIC50 | = | 6.8 | 6.8 | -7 | 13 | ChEMBL | 287 | 1 | 1 | 2 | 3.7 | CN1CCc2cc(Cl)c(O)cc2[C@@H](c2ccccc2)C1 | 10.1021/acs.jmedchem.3c00976 | |||
CHEMBL62 | 205211 | None | 16 | Human | Functional | pIC50 | = | 6.8 | 6.8 | -7 | 13 | ChEMBL | 287 | 1 | 1 | 2 | 3.7 | CN1CCc2cc(Cl)c(O)cc2[C@@H](c2ccccc2)C1 | 10.1021/acs.jmedchem.3c00976 | |||
72301 | 186224 | None | 46 | Human | Functional | pIC50 | = | 5.8 | 5.8 | -3 | 2 | ChEMBL | 355 | 4 | 0 | 5 | 3.4 | COc1cc2c(cc1OC)[C@@H]1Cc3ccc(OC)c(OC)c3CN1CC2 | 10.1016/j.bmc.2019.04.014 | |||
CHEMBL487182 | 186224 | None | 46 | Human | Functional | pIC50 | = | 5.8 | 5.8 | -3 | 2 | ChEMBL | 355 | 4 | 0 | 5 | 3.4 | COc1cc2c(cc1OC)[C@@H]1Cc3ccc(OC)c(OC)c3CN1CC2 | 10.1016/j.bmc.2019.04.014 | |||
44299467 | 200012 | None | 0 | Rat | Functional | pIC50 | = | 5.8 | 5.8 | -30 | 2 | ChEMBL | 355 | 6 | 1 | 3 | 4.0 | C[C@H]1CN(CCCC(=O)c2ccc(F)cc2)CCC1(O)c1ccccc1 | 10.1021/jm00393a037 | |||
CHEMBL57029 | 200012 | None | 0 | Rat | Functional | pIC50 | = | 5.8 | 5.8 | -30 | 2 | ChEMBL | 355 | 6 | 1 | 3 | 4.0 | C[C@H]1CN(CCCC(=O)c2ccc(F)cc2)CCC1(O)c1ccccc1 | 10.1021/jm00393a037 | |||
3246443 | 37697 | None | 0 | Human | Functional | pIC50 | = | 4.8 | 4.8 | -16 | 3 | ChEMBL | 325 | 1 | 1 | 5 | 2.8 | COc1c(O)ccc2c1CN1CCc3cc4c(cc3[C@@H]1C2)OCO4 | 10.1016/j.bmc.2012.12.016 | |||
CHEMBL1457510 | 37697 | None | 0 | Human | Functional | pIC50 | = | 4.8 | 4.8 | -16 | 3 | ChEMBL | 325 | 1 | 1 | 5 | 2.8 | COc1c(O)ccc2c1CN1CCc3cc4c(cc3[C@@H]1C2)OCO4 | 10.1016/j.bmc.2012.12.016 | |||
168475865 | 196962 | None | 3 | Human | Functional | pIC50 | = | 5.7 | 5.7 | - | 1 | ChEMBL | 447 | 5 | 2 | 5 | 4.7 | CCCOc1cc2c(cc1O)[C@@H]1Cc3c(Br)cc(O)c(OCC)c3CN1CC2 | 10.1021/acs.jmedchem.3c00976 | |||
CHEMBL5435602 | 196962 | None | 3 | Human | Functional | pIC50 | = | 5.7 | 5.7 | - | 1 | ChEMBL | 447 | 5 | 2 | 5 | 4.7 | CCCOc1cc2c(cc1O)[C@@H]1Cc3c(Br)cc(O)c(OCC)c3CN1CC2 | 10.1021/acs.jmedchem.3c00976 | |||
44537919 | 200592 | None | 0 | Human | Functional | pIC50 | = | 4.7 | 4.7 | -60 | 3 | ChEMBL | 610 | 11 | 2 | 9 | 4.8 | COc1ccccc1N1CCN(CCCc2cn(CCCN3CCc4cc(O)c(O)cc4C(c4ccccc4C)C3)nn2)CC1 | 10.1016/j.bmc.2009.06.019 | |||
CHEMBL574700 | 200592 | None | 0 | Human | Functional | pIC50 | = | 4.7 | 4.7 | -60 | 3 | ChEMBL | 610 | 11 | 2 | 9 | 4.8 | COc1ccccc1N1CCN(CCCc2cn(CCCN3CCc4cc(O)c(O)cc4C(c4ccccc4C)C3)nn2)CC1 | 10.1016/j.bmc.2009.06.019 | |||
72699716 | 115253 | None | 0 | Human | Functional | pIC50 | = | 5.7 | 5.7 | -12 | 3 | ChEMBL | 343 | 3 | 1 | 4 | 4.3 | COc1cc2c(cc1O)[C@@H]1Cc3sc(CC(C)C)cc3CN1CC2 | 10.1016/j.bmc.2014.09.024 | |||
CHEMBL3344459 | 115253 | None | 0 | Human | Functional | pIC50 | = | 5.7 | 5.7 | -12 | 3 | ChEMBL | 343 | 3 | 1 | 4 | 4.3 | COc1cc2c(cc1O)[C@@H]1Cc3sc(CC(C)C)cc3CN1CC2 | 10.1016/j.bmc.2014.09.024 | |||
5319512 | 156042 | None | 26 | Human | Functional | pIC50 | = | 5.7 | 5.7 | -1 | 3 | ChEMBL | 281 | 1 | 1 | 3 | 3.2 | COc1c(O)cc2c3c1-c1ccccc1CC3N(C)CC2 | 10.1016/j.ejmech.2023.115414 | |||
CHEMBL4061197 | 156042 | None | 26 | Human | Functional | pIC50 | = | 5.7 | 5.7 | -1 | 3 | ChEMBL | 281 | 1 | 1 | 3 | 3.2 | COc1c(O)cc2c3c1-c1ccccc1CC3N(C)CC2 | 10.1016/j.ejmech.2023.115414 | |||
161665 | 172688 | None | 26 | Human | Functional | pIC50 | = | 4.7 | 4.7 | -28 | 3 | ChEMBL | 341 | 3 | 1 | 5 | 3.1 | COc1cc2c(cc1OC)[C@@H]1Cc3ccc(O)c(OC)c3CN1CC2 | 10.1016/j.bmc.2012.12.016 | |||
CHEMBL448891 | 172688 | None | 26 | Human | Functional | pIC50 | = | 4.7 | 4.7 | -28 | 3 | ChEMBL | 341 | 3 | 1 | 5 | 3.1 | COc1cc2c(cc1OC)[C@@H]1Cc3ccc(O)c(OC)c3CN1CC2 | 10.1016/j.bmc.2012.12.016 | |||
3108374 | 92011 | None | 17 | Human | Functional | pIC50 | = | 4.7 | 4.7 | -165 | 5 | ChEMBL | 295 | 2 | 0 | 3 | 3.5 | COc1cc2c3c(c1OC)-c1ccccc1CC3N(C)CC2 | 10.1016/j.ejmech.2023.115414 | |||
CHEMBL2414990 | 92011 | None | 17 | Human | Functional | pIC50 | = | 4.7 | 4.7 | -165 | 5 | ChEMBL | 295 | 2 | 0 | 3 | 3.5 | COc1cc2c3c(c1OC)-c1ccccc1CC3N(C)CC2 | 10.1016/j.ejmech.2023.115414 | |||
1243 | 3618 | None | 30 | Human | Functional | pIC50 | = | 5.7 | 5.7 | - | 1 | ChEMBL | 331 | 1 | 1 | 2 | 3.8 | CN1CCc2c(C(C1)c1ccccc1)cc(c(c2)Br)O | 10.1016/j.bmc.2023.117508 | |||
944 | 3618 | None | 30 | Human | Functional | pIC50 | = | 5.7 | 5.7 | - | 1 | ChEMBL | 331 | 1 | 1 | 2 | 3.8 | CN1CCc2c(C(C1)c1ccccc1)cc(c(c2)Br)O | 10.1016/j.bmc.2023.117508 | |||
CHEMBL324017 | 3618 | None | 30 | Human | Functional | pIC50 | = | 5.7 | 5.7 | - | 1 | ChEMBL | 331 | 1 | 1 | 2 | 3.8 | CN1CCc2c(C(C1)c1ccccc1)cc(c(c2)Br)O | 10.1016/j.bmc.2023.117508 | |||
70690498 | 76094 | None | 0 | Human | Functional | pIC50 | = | 4.6 | 4.6 | - | 1 | ChEMBL | 355 | 4 | 0 | 5 | 3.4 | COc1cc2c(c(OC)c1)CN1CCc3cc(OC)cc(OC)c3[C@@H]1C2 | 10.1016/j.bmc.2012.05.057 | |||
CHEMBL2057445 | 76094 | None | 0 | Human | Functional | pIC50 | = | 4.6 | 4.6 | - | 1 | ChEMBL | 355 | 4 | 0 | 5 | 3.4 | COc1cc2c(c(OC)c1)CN1CCc3cc(OC)cc(OC)c3[C@@H]1C2 | 10.1016/j.bmc.2012.05.057 | |||
13869636 | 101760 | None | 0 | Rat | Functional | pIC50 | = | 5.6 | 5.6 | -83 | 2 | ChEMBL | 397 | 8 | 0 | 4 | 4.7 | CCC(=O)OC1(c2ccccc2)CCN(CCCC(=O)c2ccc(F)cc2)CC1 | 10.1021/jm00393a037 | |||
CHEMBL299471 | 101760 | None | 0 | Rat | Functional | pIC50 | = | 5.6 | 5.6 | -83 | 2 | ChEMBL | 397 | 8 | 0 | 4 | 4.7 | CCC(=O)OC1(c2ccccc2)CCN(CCCC(=O)c2ccc(F)cc2)CC1 | 10.1021/jm00393a037 | |||
44299213 | 100687 | None | 0 | Rat | Functional | pIC50 | = | 5.6 | 5.6 | -77 | 2 | ChEMBL | 411 | 8 | 0 | 4 | 5.0 | CCC(=O)OC1(c2ccccc2)CCN(CCCC(=O)c2ccc(F)cc2)C[C@@H]1C | 10.1021/jm00393a037 | |||
CHEMBL292006 | 100687 | None | 0 | Rat | Functional | pIC50 | = | 5.6 | 5.6 | -77 | 2 | ChEMBL | 411 | 8 | 0 | 4 | 5.0 | CCC(=O)OC1(c2ccccc2)CCN(CCCC(=O)c2ccc(F)cc2)C[C@@H]1C | 10.1021/jm00393a037 | |||
44299579 | 200175 | None | 0 | Rat | Functional | pIC50 | = | 5.6 | 5.6 | -33 | 2 | ChEMBL | 355 | 6 | 1 | 3 | 4.0 | C[C@@H]1CN(CCCC(=O)c2ccc(F)cc2)CCC1(O)c1ccccc1 | 10.1021/jm00393a037 | |||
CHEMBL57140 | 200175 | None | 0 | Rat | Functional | pIC50 | = | 5.6 | 5.6 | -33 | 2 | ChEMBL | 355 | 6 | 1 | 3 | 4.0 | C[C@@H]1CN(CCCC(=O)c2ccc(F)cc2)CCC1(O)c1ccccc1 | 10.1021/jm00393a037 | |||
18367 | 196291 | None | 25 | Rat | Functional | pIC50 | = | 5.6 | 5.6 | -60 | 2 | ChEMBL | 341 | 6 | 1 | 3 | 3.8 | O=C(CCCN1CCC(O)(c2ccccc2)CC1)c1ccc(F)cc1 | 10.1021/jm00393a037 | |||
CHEMBL54206 | 196291 | None | 25 | Rat | Functional | pIC50 | = | 5.6 | 5.6 | -60 | 2 | ChEMBL | 341 | 6 | 1 | 3 | 3.8 | O=C(CCCN1CCC(O)(c2ccccc2)CC1)c1ccc(F)cc1 | 10.1021/jm00393a037 | |||
3036864 | 205211 | None | 16 | Human | Functional | pIC50 | = | 8.5 | 8.5 | -7 | 13 | ChEMBL | 287 | 1 | 1 | 2 | 3.7 | CN1CCc2cc(Cl)c(O)cc2[C@@H](c2ccccc2)C1 | 10.1016/j.bmc.2019.04.014 | |||
CHEMBL1256645 | 205211 | None | 16 | Human | Functional | pIC50 | = | 8.5 | 8.5 | -7 | 13 | ChEMBL | 287 | 1 | 1 | 2 | 3.7 | CN1CCc2cc(Cl)c(O)cc2[C@@H](c2ccccc2)C1 | 10.1016/j.bmc.2019.04.014 | |||
CHEMBL1814790 | 205211 | None | 16 | Human | Functional | pIC50 | = | 8.5 | 8.5 | -7 | 13 | ChEMBL | 287 | 1 | 1 | 2 | 3.7 | CN1CCc2cc(Cl)c(O)cc2[C@@H](c2ccccc2)C1 | 10.1016/j.bmc.2019.04.014 | |||
CHEMBL62 | 205211 | None | 16 | Human | Functional | pIC50 | = | 8.5 | 8.5 | -7 | 13 | ChEMBL | 287 | 1 | 1 | 2 | 3.7 | CN1CCc2cc(Cl)c(O)cc2[C@@H](c2ccccc2)C1 | 10.1016/j.bmc.2019.04.014 | |||
3036864 | 205211 | None | 16 | Human | Functional | pIC50 | = | 7.5 | 7.5 | -7 | 13 | ChEMBL | 287 | 1 | 1 | 2 | 3.7 | CN1CCc2cc(Cl)c(O)cc2[C@@H](c2ccccc2)C1 | 10.1016/j.bmc.2014.09.024 | |||
CHEMBL1256645 | 205211 | None | 16 | Human | Functional | pIC50 | = | 7.5 | 7.5 | -7 | 13 | ChEMBL | 287 | 1 | 1 | 2 | 3.7 | CN1CCc2cc(Cl)c(O)cc2[C@@H](c2ccccc2)C1 | 10.1016/j.bmc.2014.09.024 | |||
CHEMBL1814790 | 205211 | None | 16 | Human | Functional | pIC50 | = | 7.5 | 7.5 | -7 | 13 | ChEMBL | 287 | 1 | 1 | 2 | 3.7 | CN1CCc2cc(Cl)c(O)cc2[C@@H](c2ccccc2)C1 | 10.1016/j.bmc.2014.09.024 | |||
CHEMBL62 | 205211 | None | 16 | Human | Functional | pIC50 | = | 7.5 | 7.5 | -7 | 13 | ChEMBL | 287 | 1 | 1 | 2 | 3.7 | CN1CCc2cc(Cl)c(O)cc2[C@@H](c2ccccc2)C1 | 10.1016/j.bmc.2014.09.024 | |||
44299566 | 199234 | None | 0 | Rat | Functional | pIC50 | = | 5.5 | 5.5 | -67 | 2 | ChEMBL | 411 | 8 | 0 | 4 | 5.0 | CCC(=O)OC1(c2ccccc2)CCN(CCCC(=O)c2ccc(F)cc2)C[C@H]1C | 10.1021/jm00393a037 | |||
CHEMBL56547 | 199234 | None | 0 | Rat | Functional | pIC50 | = | 5.5 | 5.5 | -67 | 2 | ChEMBL | 411 | 8 | 0 | 4 | 5.0 | CCC(=O)OC1(c2ccccc2)CCN(CCCC(=O)c2ccc(F)cc2)C[C@H]1C | 10.1021/jm00393a037 | |||
44537925 | 201200 | None | 0 | Human | Functional | pIC50 | = | 4.5 | 4.5 | -162 | 3 | ChEMBL | 624 | 12 | 2 | 9 | 5.2 | COc1ccccc1N1CCN(CCCn2cc(CCCCN3CCc4cc(O)c(O)cc4C(c4cccc(C)c4)C3)nn2)CC1 | 10.1016/j.bmc.2009.06.019 | |||
CHEMBL582945 | 201200 | None | 0 | Human | Functional | pIC50 | = | 4.5 | 4.5 | -162 | 3 | ChEMBL | 624 | 12 | 2 | 9 | 5.2 | COc1ccccc1N1CCN(CCCn2cc(CCCCN3CCc4cc(O)c(O)cc4C(c4cccc(C)c4)C3)nn2)CC1 | 10.1016/j.bmc.2009.06.019 | |||
129103318 | 167410 | None | 0 | Human | Functional | pIC50 | = | 6.4 | 6.4 | -39 | 6 | ChEMBL | 475 | 7 | 0 | 5 | 5.0 | O=C(CCCCN1CCC(c2noc3cc(F)ccc23)CC1)c1cc2c3c(c1)CCN3C(=O)CC2 | 10.1021/acs.jmedchem.8b01096 | |||
CHEMBL4293999 | 167410 | None | 0 | Human | Functional | pIC50 | = | 6.4 | 6.4 | -39 | 6 | ChEMBL | 475 | 7 | 0 | 5 | 5.0 | O=C(CCCCN1CCC(c2noc3cc(F)ccc23)CC1)c1cc2c3c(c1)CCN3C(=O)CC2 | 10.1021/acs.jmedchem.8b01096 | |||
228 | 445 | None | 20 | Rat | Functional | pIC50 | = | 6.4 | 6.4 | -131 | 20 | ChEMBL | 267 | 0 | 2 | 3 | 2.9 | CN1CCc2c3[C@H]1Cc1ccc(c(c1c3ccc2)O)O | 10.1016/S0960-894X(00)80249-8 | |||
33 | 445 | None | 20 | Rat | Functional | pIC50 | = | 6.4 | 6.4 | -131 | 20 | ChEMBL | 267 | 0 | 2 | 3 | 2.9 | CN1CCc2c3[C@H]1Cc1ccc(c(c1c3ccc2)O)O | 10.1016/S0960-894X(00)80249-8 | |||
6005 | 445 | None | 20 | Rat | Functional | pIC50 | = | 6.4 | 6.4 | -131 | 20 | ChEMBL | 267 | 0 | 2 | 3 | 2.9 | CN1CCc2c3[C@H]1Cc1ccc(c(c1c3ccc2)O)O | 10.1016/S0960-894X(00)80249-8 | |||
6005.0 | 445 | None | 20 | Rat | Functional | pIC50 | = | 6.4 | 6.4 | -131 | 20 | ChEMBL | 267 | 0 | 2 | 3 | 2.9 | CN1CCc2c3[C@H]1Cc1ccc(c(c1c3ccc2)O)O | 10.1016/S0960-894X(00)80249-8 | |||
CHEMBL53 | 445 | None | 20 | Rat | Functional | pIC50 | = | 6.4 | 6.4 | -131 | 20 | ChEMBL | 267 | 0 | 2 | 3 | 2.9 | CN1CCc2c3[C@H]1Cc1ccc(c(c1c3ccc2)O)O | 10.1016/S0960-894X(00)80249-8 | |||
DB00714 | 445 | None | 20 | Rat | Functional | pIC50 | = | 6.4 | 6.4 | -131 | 20 | ChEMBL | 267 | 0 | 2 | 3 | 2.9 | CN1CCc2c3[C@H]1Cc1ccc(c(c1c3ccc2)O)O | 10.1016/S0960-894X(00)80249-8 | |||
624491 | 126257 | None | 9 | Human | Functional | pIC50 | = | 4.4 | 4.4 | -123 | 2 | ChEMBL | 281 | 2 | 1 | 3 | 3.1 | COc1cc2c3c(c1OC)-c1ccccc1CC3NCC2 | 10.1016/j.ejmech.2023.115414 | |||
CHEMBL36496 | 126257 | None | 9 | Human | Functional | pIC50 | = | 4.4 | 4.4 | -123 | 2 | ChEMBL | 281 | 2 | 1 | 3 | 3.1 | COc1cc2c3c(c1OC)-c1ccccc1CC3NCC2 | 10.1016/j.ejmech.2023.115414 | |||
146025812 | 174995 | None | 0 | Human | Functional | pIC50 | = | 5.4 | 5.4 | -1 | 2 | ChEMBL | 373 | 2 | 0 | 3 | 4.2 | COc1ccc2c(c1OC)-c1c(Br)ccc3c1[C@H](C2)N(C)CC3 | 10.1021/acsmedchemlett.9b00575 | |||
CHEMBL4564103 | 174995 | None | 0 | Human | Functional | pIC50 | = | 5.4 | 5.4 | -1 | 2 | ChEMBL | 373 | 2 | 0 | 3 | 4.2 | COc1ccc2c(c1OC)-c1c(Br)ccc3c1[C@H](C2)N(C)CC3 | 10.1021/acsmedchemlett.9b00575 | |||
146025812 | 174995 | None | 0 | Human | Functional | pIC50 | = | 5.4 | 5.4 | -1 | 2 | ChEMBL | 373 | 2 | 0 | 3 | 4.2 | COc1ccc2c(c1OC)-c1c(Br)ccc3c1[C@H](C2)N(C)CC3 | 10.1021/acsmedchemlett.9b00575 | |||
CHEMBL4564103 | 174995 | None | 0 | Human | Functional | pIC50 | = | 5.4 | 5.4 | -1 | 2 | ChEMBL | 373 | 2 | 0 | 3 | 4.2 | COc1ccc2c(c1OC)-c1c(Br)ccc3c1[C@H](C2)N(C)CC3 | 10.1021/acsmedchemlett.9b00575 | |||
90899701 | 169838 | None | 0 | Human | Functional | pIC50 | = | 6.4 | 6.4 | -5 | 2 | ChEMBL | 313 | 1 | 3 | 5 | 2.5 | COc1ccc2c(c1O)CN1CCc3cc(O)c(O)cc3C1C2 | 10.1016/j.bmc.2019.04.014 | |||
CHEMBL4438471 | 169838 | None | 0 | Human | Functional | pIC50 | = | 6.4 | 6.4 | -5 | 2 | ChEMBL | 313 | 1 | 3 | 5 | 2.5 | COc1ccc2c(c1O)CN1CCc3cc(O)c(O)cc3C1C2 | 10.1016/j.bmc.2019.04.014 | |||
453215 | 86515 | None | 10 | Human | Functional | pIC50 | = | 6.4 | 6.4 | 7 | 2 | ChEMBL | 341 | 3 | 1 | 5 | 3.1 | COc1cc2c(cc1OC)C1Cc3ccc(OC)c(O)c3CN1CC2 | 10.1016/j.bmc.2019.04.014 | |||
CHEMBL2314745 | 86515 | None | 10 | Human | Functional | pIC50 | = | 6.4 | 6.4 | 7 | 2 | ChEMBL | 341 | 3 | 1 | 5 | 3.1 | COc1cc2c(cc1OC)C1Cc3ccc(OC)c(O)c3CN1CC2 | 10.1016/j.bmc.2019.04.014 | |||
3246545 | 204931 | None | 0 | Human | Functional | pIC50 | = | 6.3 | 6.3 | -3 | 3 | ChEMBL | 386 | 4 | 0 | 4 | 4.9 | CN1CCCC[C@@H]1CCN1c2ccccc2Sc2ccc([S+](C)[O-])cc21 | 10.1016/j.bmcl.2004.06.078 | |||
CHEMBL1573438 | 204931 | None | 0 | Human | Functional | pIC50 | = | 6.3 | 6.3 | -3 | 3 | ChEMBL | 386 | 4 | 0 | 4 | 4.9 | CN1CCCC[C@@H]1CCN1c2ccccc2Sc2ccc([S+](C)[O-])cc21 | 10.1016/j.bmcl.2004.06.078 | |||
CHEMBL611207 | 204931 | None | 0 | Human | Functional | pIC50 | = | 6.3 | 6.3 | -3 | 3 | ChEMBL | 386 | 4 | 0 | 4 | 4.9 | CN1CCCC[C@@H]1CCN1c2ccccc2Sc2ccc([S+](C)[O-])cc21 | 10.1016/j.bmcl.2004.06.078 | |||
146025813 | 175691 | None | 0 | Human | Functional | pIC50 | = | 5.3 | 5.3 | -2 | 2 | ChEMBL | 373 | 2 | 0 | 3 | 4.2 | COc1ccc2c(c1OC)-c1ccc(Br)c3c1[C@@H](C2)N(C)CC3 | 10.1021/acsmedchemlett.9b00575 | |||
CHEMBL4579687 | 175691 | None | 0 | Human | Functional | pIC50 | = | 5.3 | 5.3 | -2 | 2 | ChEMBL | 373 | 2 | 0 | 3 | 4.2 | COc1ccc2c(c1OC)-c1ccc(Br)c3c1[C@@H](C2)N(C)CC3 | 10.1021/acsmedchemlett.9b00575 | |||
146025813 | 175691 | None | 0 | Human | Functional | pIC50 | = | 5.3 | 5.3 | -2 | 2 | ChEMBL | 373 | 2 | 0 | 3 | 4.2 | COc1ccc2c(c1OC)-c1ccc(Br)c3c1[C@@H](C2)N(C)CC3 | 10.1021/acsmedchemlett.9b00575 | |||
CHEMBL4579687 | 175691 | None | 0 | Human | Functional | pIC50 | = | 5.3 | 5.3 | -2 | 2 | ChEMBL | 373 | 2 | 0 | 3 | 4.2 | COc1ccc2c(c1OC)-c1ccc(Br)c3c1[C@@H](C2)N(C)CC3 | 10.1021/acsmedchemlett.9b00575 | |||
3036864 | 205211 | None | 16 | Human | Functional | pIC50 | = | 6.3 | 6.3 | -7 | 13 | ChEMBL | 287 | 1 | 1 | 2 | 3.7 | CN1CCc2cc(Cl)c(O)cc2[C@@H](c2ccccc2)C1 | 10.1016/j.bmc.2012.05.057 | |||
CHEMBL1256645 | 205211 | None | 16 | Human | Functional | pIC50 | = | 6.3 | 6.3 | -7 | 13 | ChEMBL | 287 | 1 | 1 | 2 | 3.7 | CN1CCc2cc(Cl)c(O)cc2[C@@H](c2ccccc2)C1 | 10.1016/j.bmc.2012.05.057 | |||
CHEMBL1814790 | 205211 | None | 16 | Human | Functional | pIC50 | = | 6.3 | 6.3 | -7 | 13 | ChEMBL | 287 | 1 | 1 | 2 | 3.7 | CN1CCc2cc(Cl)c(O)cc2[C@@H](c2ccccc2)C1 | 10.1016/j.bmc.2012.05.057 | |||
CHEMBL62 | 205211 | None | 16 | Human | Functional | pIC50 | = | 6.3 | 6.3 | -7 | 13 | ChEMBL | 287 | 1 | 1 | 2 | 3.7 | CN1CCc2cc(Cl)c(O)cc2[C@@H](c2ccccc2)C1 | 10.1016/j.bmc.2012.05.057 | |||
1353 | 1911 | None | 63 | Rat | Functional | pIC50 | = | 6.3 | 6.3 | -109 | 39 | ChEMBL | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | 10.1021/jm00393a037 | |||
3559 | 1911 | None | 63 | Rat | Functional | pIC50 | = | 6.3 | 6.3 | -109 | 39 | ChEMBL | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | 10.1021/jm00393a037 | |||
3559.0 | 1911 | None | 63 | Rat | Functional | pIC50 | = | 6.3 | 6.3 | -109 | 39 | ChEMBL | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | 10.1021/jm00393a037 | |||
86 | 1911 | None | 63 | Rat | Functional | pIC50 | = | 6.3 | 6.3 | -109 | 39 | ChEMBL | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | 10.1021/jm00393a037 | |||
CHEMBL54 | 1911 | None | 63 | Rat | Functional | pIC50 | = | 6.3 | 6.3 | -109 | 39 | ChEMBL | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | 10.1021/jm00393a037 | |||
DB00502 | 1911 | None | 63 | Rat | Functional | pIC50 | = | 6.3 | 6.3 | -109 | 39 | ChEMBL | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | 10.1021/jm00393a037 | |||
3036864 | 205211 | None | 16 | Human | Functional | pIC50 | = | 8.2 | 8.2 | -7 | 13 | ChEMBL | 287 | 1 | 1 | 2 | 3.7 | CN1CCc2cc(Cl)c(O)cc2[C@@H](c2ccccc2)C1 | 10.1021/acsmedchemlett.9b00575 | |||
CHEMBL1256645 | 205211 | None | 16 | Human | Functional | pIC50 | = | 8.2 | 8.2 | -7 | 13 | ChEMBL | 287 | 1 | 1 | 2 | 3.7 | CN1CCc2cc(Cl)c(O)cc2[C@@H](c2ccccc2)C1 | 10.1021/acsmedchemlett.9b00575 | |||
CHEMBL1814790 | 205211 | None | 16 | Human | Functional | pIC50 | = | 8.2 | 8.2 | -7 | 13 | ChEMBL | 287 | 1 | 1 | 2 | 3.7 | CN1CCc2cc(Cl)c(O)cc2[C@@H](c2ccccc2)C1 | 10.1021/acsmedchemlett.9b00575 | |||
CHEMBL62 | 205211 | None | 16 | Human | Functional | pIC50 | = | 8.2 | 8.2 | -7 | 13 | ChEMBL | 287 | 1 | 1 | 2 | 3.7 | CN1CCc2cc(Cl)c(O)cc2[C@@H](c2ccccc2)C1 | 10.1021/acsmedchemlett.9b00575 | |||
3036864 | 205211 | None | 16 | Human | Functional | pIC50 | = | 8.2 | 8.2 | -7 | 13 | ChEMBL | 287 | 1 | 1 | 2 | 3.7 | CN1CCc2cc(Cl)c(O)cc2[C@@H](c2ccccc2)C1 | 10.1021/acsmedchemlett.9b00575 | |||
CHEMBL1256645 | 205211 | None | 16 | Human | Functional | pIC50 | = | 8.2 | 8.2 | -7 | 13 | ChEMBL | 287 | 1 | 1 | 2 | 3.7 | CN1CCc2cc(Cl)c(O)cc2[C@@H](c2ccccc2)C1 | 10.1021/acsmedchemlett.9b00575 | |||
CHEMBL1814790 | 205211 | None | 16 | Human | Functional | pIC50 | = | 8.2 | 8.2 | -7 | 13 | ChEMBL | 287 | 1 | 1 | 2 | 3.7 | CN1CCc2cc(Cl)c(O)cc2[C@@H](c2ccccc2)C1 | 10.1021/acsmedchemlett.9b00575 | |||
CHEMBL62 | 205211 | None | 16 | Human | Functional | pIC50 | = | 8.2 | 8.2 | -7 | 13 | ChEMBL | 287 | 1 | 1 | 2 | 3.7 | CN1CCc2cc(Cl)c(O)cc2[C@@H](c2ccccc2)C1 | 10.1021/acsmedchemlett.9b00575 | |||
72699817 | 115252 | None | 0 | Human | Functional | pIC50 | = | 6.2 | 6.2 | 1 | 3 | ChEMBL | 343 | 4 | 1 | 4 | 4.5 | CCCCc1cc2c(s1)C[C@H]1c3cc(O)c(OC)cc3CCN1C2 | 10.1016/j.bmc.2014.09.024 | |||
CHEMBL3344458 | 115252 | None | 0 | Human | Functional | pIC50 | = | 6.2 | 6.2 | 1 | 3 | ChEMBL | 343 | 4 | 1 | 4 | 4.5 | CCCCc1cc2c(s1)C[C@H]1c3cc(O)c(OC)cc3CCN1C2 | 10.1016/j.bmc.2014.09.024 | |||
5018 | 3549 | None | 8 | Human | Functional | pIC50 | = | 6.2 | 6.2 | -42 | 2 | ChEMBL | 287 | 1 | 1 | 2 | 3.7 | CN1CCc2c(C(C1)c1ccccc1)cc(c(c2)Cl)O | 10.1016/j.bmc.2012.12.016 | |||
943 | 3549 | None | 8 | Human | Functional | pIC50 | = | 6.2 | 6.2 | -42 | 2 | ChEMBL | 287 | 1 | 1 | 2 | 3.7 | CN1CCc2c(C(C1)c1ccccc1)cc(c(c2)Cl)O | 10.1016/j.bmc.2012.12.016 | |||
946 | 3549 | None | 8 | Human | Functional | pIC50 | = | 6.2 | 6.2 | -42 | 2 | ChEMBL | 287 | 1 | 1 | 2 | 3.7 | CN1CCc2c(C(C1)c1ccccc1)cc(c(c2)Cl)O | 10.1016/j.bmc.2012.12.016 | |||
CHEMBL13668 | 3549 | None | 8 | Human | Functional | pIC50 | = | 6.2 | 6.2 | -42 | 2 | ChEMBL | 287 | 1 | 1 | 2 | 3.7 | CN1CCc2c(C(C1)c1ccccc1)cc(c(c2)Cl)O | 10.1016/j.bmc.2012.12.016 | |||
12269810 | 86516 | None | 9 | Human | Functional | pIC50 | = | 6.2 | 6.2 | -15 | 2 | ChEMBL | 327 | 2 | 2 | 5 | 2.8 | COc1ccc2c(c1OC)CN1CCc3cc(O)c(O)cc3C1C2 | 10.1016/j.bmc.2019.04.014 | |||
CHEMBL2314747 | 86516 | None | 9 | Human | Functional | pIC50 | = | 6.2 | 6.2 | -15 | 2 | ChEMBL | 327 | 2 | 2 | 5 | 2.8 | COc1ccc2c(c1OC)CN1CCc3cc(O)c(O)cc3C1C2 | 10.1016/j.bmc.2019.04.014 | |||
24837531 | 174878 | None | 1 | Human | Functional | pIC50 | = | 5.2 | 5.2 | -4 | 2 | ChEMBL | 311 | 2 | 1 | 4 | 3.1 | COc1cc2c(cc1OC)C1Cc3ccc(O)cc3CN1CC2 | 10.1016/j.bmc.2019.04.014 | |||
CHEMBL4561303 | 174878 | None | 1 | Human | Functional | pIC50 | = | 5.2 | 5.2 | -4 | 2 | ChEMBL | 311 | 2 | 1 | 4 | 3.1 | COc1cc2c(cc1OC)C1Cc3ccc(O)cc3CN1CC2 | 10.1016/j.bmc.2019.04.014 | |||
9549058 | 173253 | None | 1 | Human | Functional | pIC50 | = | 6.2 | 6.2 | 3 | 2 | ChEMBL | 341 | 3 | 1 | 5 | 3.1 | COc1cc2c(cc1O)CC1c3cc(OC)c(OC)cc3CCN1C2 | 10.1016/j.bmc.2019.04.014 | |||
CHEMBL4521450 | 173253 | None | 1 | Human | Functional | pIC50 | = | 6.2 | 6.2 | 3 | 2 | ChEMBL | 341 | 3 | 1 | 5 | 3.1 | COc1cc2c(cc1O)CC1c3cc(OC)c(OC)cc3CCN1C2 | 10.1016/j.bmc.2019.04.014 | |||
12308663 | 156741 | None | 10 | Human | Functional | pIC50 | = | 5.1 | 5.1 | -1 | 2 | ChEMBL | 267 | 1 | 2 | 3 | 2.8 | COc1c(O)cc2c3c1-c1ccccc1CC3NCC2 | 10.1016/j.ejmech.2023.115414 | |||
CHEMBL4069337 | 156741 | None | 10 | Human | Functional | pIC50 | = | 5.1 | 5.1 | -1 | 2 | ChEMBL | 267 | 1 | 2 | 3 | 2.8 | COc1c(O)cc2c3c1-c1ccccc1CC3NCC2 | 10.1016/j.ejmech.2023.115414 | |||
160875 | 178950 | None | 25 | Human | Functional | pIC50 | = | 5.1 | 5.1 | -15 | 3 | ChEMBL | 267 | 1 | 2 | 3 | 2.8 | COc1c(O)cc2c3c1-c1ccccc1C[C@H]3NCC2 | 10.1016/j.ejmech.2023.115414 | |||
CHEMBL469423 | 178950 | None | 25 | Human | Functional | pIC50 | = | 5.1 | 5.1 | -15 | 3 | ChEMBL | 267 | 1 | 2 | 3 | 2.8 | COc1c(O)cc2c3c1-c1ccccc1C[C@H]3NCC2 | 10.1016/j.ejmech.2023.115414 | |||
146025814 | 172882 | None | 0 | Human | Functional | pIC50 | = | 5.1 | 5.1 | 6 | 2 | ChEMBL | 373 | 2 | 0 | 3 | 4.2 | COc1ccc2c(c1OC)-c1ccc(Br)c3c1[C@H](C2)N(C)CC3 | 10.1021/acsmedchemlett.9b00575 | |||
CHEMBL4513262 | 172882 | None | 0 | Human | Functional | pIC50 | = | 5.1 | 5.1 | 6 | 2 | ChEMBL | 373 | 2 | 0 | 3 | 4.2 | COc1ccc2c(c1OC)-c1ccc(Br)c3c1[C@H](C2)N(C)CC3 | 10.1021/acsmedchemlett.9b00575 | |||
155552483 | 174163 | None | 0 | Human | Functional | pIC50 | = | 5.1 | 5.1 | -6 | 2 | ChEMBL | 355 | 2 | 1 | 6 | 2.8 | COc1cc2c(c(OC)c1O)CC1c3cc4c(cc3CCN1C2)OCO4 | 10.1016/j.bmc.2019.04.014 | |||
CHEMBL4544045 | 174163 | None | 0 | Human | Functional | pIC50 | = | 5.1 | 5.1 | -6 | 2 | ChEMBL | 355 | 2 | 1 | 6 | 2.8 | COc1cc2c(c(OC)c1O)CC1c3cc4c(cc3CCN1C2)OCO4 | 10.1016/j.bmc.2019.04.014 | |||
146025814 | 172882 | None | 0 | Human | Functional | pIC50 | = | 5.1 | 5.1 | 6 | 2 | ChEMBL | 373 | 2 | 0 | 3 | 4.2 | COc1ccc2c(c1OC)-c1ccc(Br)c3c1[C@H](C2)N(C)CC3 | 10.1021/acsmedchemlett.9b00575 | |||
CHEMBL4513262 | 172882 | None | 0 | Human | Functional | pIC50 | = | 5.1 | 5.1 | 6 | 2 | ChEMBL | 373 | 2 | 0 | 3 | 4.2 | COc1ccc2c(c1OC)-c1ccc(Br)c3c1[C@H](C2)N(C)CC3 | 10.1021/acsmedchemlett.9b00575 | |||
13869644 | 199708 | None | 0 | Rat | Functional | pIC50 | = | 5.1 | 5.1 | -109 | 2 | ChEMBL | 325 | 6 | 0 | 2 | 4.7 | O=C(CCCN1CCC(c2ccccc2)CC1)c1ccc(F)cc1 | 10.1021/jm00393a037 | |||
CHEMBL56843 | 199708 | None | 0 | Rat | Functional | pIC50 | = | 5.1 | 5.1 | -109 | 2 | ChEMBL | 325 | 6 | 0 | 2 | 4.7 | O=C(CCCN1CCC(c2ccccc2)CC1)c1ccc(F)cc1 | 10.1021/jm00393a037 | |||
146025815 | 169882 | None | 0 | Human | Functional | pIC50 | = | 5.1 | 5.1 | -33 | 2 | ChEMBL | 323 | 3 | 0 | 3 | 4.0 | CCc1ccc2c3c1CCN(C)[C@@H]3Cc1ccc(OC)c(OC)c1-2 | 10.1021/acsmedchemlett.9b00575 | |||
CHEMBL4439029 | 169882 | None | 0 | Human | Functional | pIC50 | = | 5.1 | 5.1 | -33 | 2 | ChEMBL | 323 | 3 | 0 | 3 | 4.0 | CCc1ccc2c3c1CCN(C)[C@@H]3Cc1ccc(OC)c(OC)c1-2 | 10.1021/acsmedchemlett.9b00575 | |||
146025815 | 169882 | None | 0 | Human | Functional | pIC50 | = | 5.1 | 5.1 | -33 | 2 | ChEMBL | 323 | 3 | 0 | 3 | 4.0 | CCc1ccc2c3c1CCN(C)[C@@H]3Cc1ccc(OC)c(OC)c1-2 | 10.1021/acsmedchemlett.9b00575 | |||
CHEMBL4439029 | 169882 | None | 0 | Human | Functional | pIC50 | = | 5.1 | 5.1 | -33 | 2 | ChEMBL | 323 | 3 | 0 | 3 | 4.0 | CCc1ccc2c3c1CCN(C)[C@@H]3Cc1ccc(OC)c(OC)c1-2 | 10.1021/acsmedchemlett.9b00575 | |||
156017431 | 177882 | None | 0 | Human | Functional | pIC50 | = | 8.0 | 8.0 | - | 1 | ChEMBL | 317 | 2 | 1 | 3 | 3.7 | COc1cc2c(cc1O)C(c1ccccc1Cl)CN(C)CC2 | 10.1016/j.bmcl.2020.127305 | |||
CHEMBL4643069 | 177882 | None | 0 | Human | Functional | pIC50 | = | 8.0 | 8.0 | - | 1 | ChEMBL | 317 | 2 | 1 | 3 | 3.7 | COc1cc2c(cc1O)C(c1ccccc1Cl)CN(C)CC2 | 10.1016/j.bmcl.2020.127305 | |||
11681599 | 75199 | None | 0 | Human | Functional | pKi | = | 9.3 | 9.3 | - | 0 | ChEMBL | 301 | 0 | 1 | 2 | 3.7 | CN1CCc2ccccc2Cc2ccc(O)c(Cl)c2CC1 | 10.1021/jm051237e | |||
CHEMBL203637 | 75199 | None | 0 | Human | Functional | pKi | = | 9.3 | 9.3 | - | 0 | ChEMBL | 301 | 0 | 1 | 2 | 3.7 | CN1CCc2ccccc2Cc2ccc(O)c(Cl)c2CC1 | 10.1021/jm051237e | |||
133538 | 3619 | None | 21 | Human | Functional | pKi | = | 8.9 | 8.9 | 1584 | 2 | ChEMBL | 317 | 1 | 2 | 3 | 3.7 | CN1CCc2c(C(C1)c1cccc(c1)C)cc(c(c2Cl)O)O | 10.1016/j.bmc.2009.06.019 | |||
8443 | 3619 | None | 21 | Human | Functional | pKi | = | 8.9 | 8.9 | 1584 | 2 | ChEMBL | 317 | 1 | 2 | 3 | 3.7 | CN1CCc2c(C(C1)c1cccc(c1)C)cc(c(c2Cl)O)O | 10.1016/j.bmc.2009.06.019 | |||
CHEMBL574558 | 3619 | None | 21 | Human | Functional | pKi | = | 8.9 | 8.9 | 1584 | 2 | ChEMBL | 317 | 1 | 2 | 3 | 3.7 | CN1CCc2c(C(C1)c1cccc(c1)C)cc(c(c2Cl)O)O | 10.1016/j.bmc.2009.06.019 | |||
11558055 | 73177 | None | 0 | Human | Functional | pKi | = | 8.9 | 8.9 | - | 0 | ChEMBL | 267 | 0 | 1 | 2 | 3.0 | CN1CCc2ccccc2Cc2ccc(O)cc2CC1 | 10.1021/jm051237e | |||
CHEMBL1204122 | 73177 | None | 0 | Human | Functional | pKi | = | 8.9 | 8.9 | - | 0 | ChEMBL | 267 | 0 | 1 | 2 | 3.0 | CN1CCc2ccccc2Cc2ccc(O)cc2CC1 | 10.1021/jm051237e | |||
CHEMBL201170 | 73177 | None | 0 | Human | Functional | pKi | = | 8.9 | 8.9 | - | 0 | ChEMBL | 267 | 0 | 1 | 2 | 3.0 | CN1CCc2ccccc2Cc2ccc(O)cc2CC1 | 10.1021/jm051237e | |||
11573628 | 74725 | None | 0 | Human | Functional | pKi | = | 8.0 | 8.0 | - | 0 | ChEMBL | 301 | 0 | 1 | 2 | 3.7 | CN1CCc2ccccc2Cc2cc(O)c(Cl)cc2CC1 | 10.1021/jm051237e | |||
CHEMBL203047 | 74725 | None | 0 | Human | Functional | pKi | = | 8.0 | 8.0 | - | 0 | ChEMBL | 301 | 0 | 1 | 2 | 3.7 | CN1CCc2ccccc2Cc2cc(O)c(Cl)cc2CC1 | 10.1021/jm051237e | |||
9992499 | 73411 | None | 0 | Human | Functional | pKi | = | 6 | 6.0 | - | 0 | ChEMBL | 254 | 0 | 0 | 2 | 2.6 | CN1CCc2ccccc2Cc2ccn(C)c2CC1 | 10.1021/jm050846j | |||
CHEMBL201483 | 73411 | None | 0 | Human | Functional | pKi | = | 6 | 6.0 | - | 0 | ChEMBL | 254 | 0 | 0 | 2 | 2.6 | CN1CCc2ccccc2Cc2ccn(C)c2CC1 | 10.1021/jm050846j | |||
11716449 | 141302 | None | 0 | Human | Functional | pKi | = | 6.8 | 6.8 | - | 0 | ChEMBL | 304 | 1 | 1 | 1 | 4.2 | CCN1CCc2ccccc2Cc2[nH]c3ccccc3c2CC1 | 10.1021/jm050846j | |||
CHEMBL382850 | 141302 | None | 0 | Human | Functional | pKi | = | 6.8 | 6.8 | - | 0 | ChEMBL | 304 | 1 | 1 | 1 | 4.2 | CCN1CCc2ccccc2Cc2[nH]c3ccccc3c2CC1 | 10.1021/jm050846j | |||
10071501 | 9881 | None | 0 | Rat | Functional | pKi | = | 7.7 | 7.7 | - | 0 | ChEMBL | 432 | 5 | 1 | 3 | 5.8 | CN(C)c1ccc(/C=C/CN2CCc3cc(Cl)c(O)cc3C(c3ccccc3)C2)cc1 | 10.1021/jm960143p | |||
CHEMBL114228 | 9881 | None | 0 | Rat | Functional | pKi | = | 7.7 | 7.7 | - | 0 | ChEMBL | 432 | 5 | 1 | 3 | 5.8 | CN(C)c1ccc(/C=C/CN2CCc3cc(Cl)c(O)cc3C(c3ccccc3)C2)cc1 | 10.1021/jm960143p | |||
1242 | 3613 | None | 17 | Human | Functional | pKi | = | 6.7 | 6.7 | 1 | 3 | ChEMBL | 255 | 1 | 3 | 3 | 2.4 | Oc1cc2CCNCC(c2cc1O)c1ccccc1 | 10.1016/j.bmc.2009.06.019 | |||
935 | 3613 | None | 17 | Human | Functional | pKi | = | 6.7 | 6.7 | 1 | 3 | ChEMBL | 255 | 1 | 3 | 3 | 2.4 | Oc1cc2CCNCC(c2cc1O)c1ccccc1 | 10.1016/j.bmc.2009.06.019 | |||
CHEMBL286080 | 3613 | None | 17 | Human | Functional | pKi | = | 6.7 | 6.7 | 1 | 3 | ChEMBL | 255 | 1 | 3 | 3 | 2.4 | Oc1cc2CCNCC(c2cc1O)c1ccccc1 | 10.1016/j.bmc.2009.06.019 | |||
11716438 | 140969 | None | 0 | Human | Functional | pKi | = | 8.6 | 8.6 | - | 0 | ChEMBL | 267 | 0 | 1 | 2 | 3.0 | CN1CCc2ccccc2Cc2cc(O)ccc2CC1 | 10.1021/jm051237e | |||
CHEMBL382010 | 140969 | None | 0 | Human | Functional | pKi | = | 8.6 | 8.6 | - | 0 | ChEMBL | 267 | 0 | 1 | 2 | 3.0 | CN1CCc2ccccc2Cc2cc(O)ccc2CC1 | 10.1021/jm051237e | |||
16090814 | 81612 | None | 0 | Human | Functional | pKi | = | 8.6 | 8.6 | - | 0 | ChEMBL | 304 | 0 | 1 | 1 | 4.2 | CN1CCCc2ccccc2Cc2[nH]c3ccccc3c2CC1 | 10.1021/jm060213k | |||
CHEMBL216258 | 81612 | None | 0 | Human | Functional | pKi | = | 8.6 | 8.6 | - | 0 | ChEMBL | 304 | 0 | 1 | 1 | 4.2 | CN1CCCc2ccccc2Cc2[nH]c3ccccc3c2CC1 | 10.1021/jm060213k | |||
11566745 | 74720 | None | 0 | Human | Functional | pKi | = | 7.7 | 7.7 | - | 0 | ChEMBL | 283 | 0 | 2 | 3 | 2.7 | CN1CCc2ccccc2Cc2cc(O)c(O)cc2CC1 | 10.1021/jm050846j | |||
CHEMBL1202298 | 74720 | None | 0 | Human | Functional | pKi | = | 7.7 | 7.7 | - | 0 | ChEMBL | 283 | 0 | 2 | 3 | 2.7 | CN1CCc2ccccc2Cc2cc(O)c(O)cc2CC1 | 10.1021/jm050846j | |||
CHEMBL203029 | 74720 | None | 0 | Human | Functional | pKi | = | 7.7 | 7.7 | - | 0 | ChEMBL | 283 | 0 | 2 | 3 | 2.7 | CN1CCc2ccccc2Cc2cc(O)c(O)cc2CC1 | 10.1021/jm050846j | |||
11558247 | 75449 | None | 0 | Human | Functional | pKi | = | 7.7 | 7.7 | - | 0 | ChEMBL | 282 | 0 | 2 | 3 | 2.6 | CN1CCc2ccccc2Cc2cc(N)c(O)cc2CC1 | 10.1021/jm051237e | |||
CHEMBL204098 | 75449 | None | 0 | Human | Functional | pKi | = | 7.7 | 7.7 | - | 0 | ChEMBL | 282 | 0 | 2 | 3 | 2.6 | CN1CCc2ccccc2Cc2cc(N)c(O)cc2CC1 | 10.1021/jm051237e | |||
11637457 | 73112 | None | 0 | Human | Functional | pKi | = | 6.7 | 6.7 | - | 0 | ChEMBL | 257 | 0 | 0 | 2 | 3.4 | CN1CCc2ccccc2Cc2ccsc2CC1 | 10.1021/jm050846j | |||
CHEMBL201093 | 73112 | None | 0 | Human | Functional | pKi | = | 6.7 | 6.7 | - | 0 | ChEMBL | 257 | 0 | 0 | 2 | 3.4 | CN1CCc2ccccc2Cc2ccsc2CC1 | 10.1021/jm050846j | |||
9952858 | 7556 | None | 0 | Rat | Functional | pKi | = | 7.7 | 7.7 | - | 0 | ChEMBL | 400 | 8 | 1 | 3 | 5.2 | CN(C)CCCCCCN1CCc2cc(Cl)c(O)cc2C(c2ccccc2)C1 | 10.1021/jm960143p | |||
CHEMBL108764 | 7556 | None | 0 | Rat | Functional | pKi | = | 7.7 | 7.7 | - | 0 | ChEMBL | 400 | 8 | 1 | 3 | 5.2 | CN(C)CCCCCCN1CCc2cc(Cl)c(O)cc2C(c2ccccc2)C1 | 10.1021/jm960143p | |||
44408818 | 140252 | None | 0 | Human | Functional | pKi | = | 7.6 | 7.6 | - | 0 | ChEMBL | 281 | 1 | 0 | 2 | 3.3 | COc1ccc2c(c1)CCN(C)CCc1ccccc1C2 | 10.1021/jm051237e | |||
CHEMBL380330 | 140252 | None | 0 | Human | Functional | pKi | = | 7.6 | 7.6 | - | 0 | ChEMBL | 281 | 1 | 0 | 2 | 3.3 | COc1ccc2c(c1)CCN(C)CCc1ccccc1C2 | 10.1021/jm051237e | |||
11573806 | 75443 | None | 0 | Human | Functional | pKi | = | 7.6 | 7.6 | - | 0 | ChEMBL | 311 | 2 | 0 | 3 | 3.3 | COc1ccc2c(c1)CCN(C)CCc1cc(OC)ccc1C2 | 10.1021/jm051237e | |||
CHEMBL204065 | 75443 | None | 0 | Human | Functional | pKi | = | 7.6 | 7.6 | - | 0 | ChEMBL | 311 | 2 | 0 | 3 | 3.3 | COc1ccc2c(c1)CCN(C)CCc1cc(OC)ccc1C2 | 10.1021/jm051237e | |||
10467946 | 48483 | None | 2 | Human | Functional | pKi | = | 8.5 | 8.5 | - | 0 | ChEMBL | 263 | 5 | 2 | 3 | 3.1 | CCCN(CCC)[C@H]1CCc2c(ccc(O)c2O)C1 | 10.1016/j.ejmech.2022.114378 | |||
CHEMBL155596 | 48483 | None | 2 | Human | Functional | pKi | = | 8.5 | 8.5 | - | 0 | ChEMBL | 263 | 5 | 2 | 3 | 3.1 | CCCN(CCC)[C@H]1CCc2c(ccc(O)c2O)C1 | 10.1016/j.ejmech.2022.114378 | |||
11623343 | 140929 | None | 0 | Human | Functional | pKi | = | 8.5 | 8.5 | - | 0 | ChEMBL | 283 | 0 | 2 | 3 | 2.7 | CN1CCc2cc(O)ccc2Cc2ccc(O)cc2CC1 | 10.1021/jm051237e | |||
CHEMBL381936 | 140929 | None | 0 | Human | Functional | pKi | = | 8.5 | 8.5 | - | 0 | ChEMBL | 283 | 0 | 2 | 3 | 2.7 | CN1CCc2cc(O)ccc2Cc2ccc(O)cc2CC1 | 10.1021/jm051237e | |||
11493746 | 141410 | None | 0 | Human | Functional | pKi | = | 8.4 | 8.4 | - | 0 | ChEMBL | 335 | 0 | 1 | 2 | 4.3 | CN1CCc2ccccc2Cc2cc(Cl)c(O)c(Cl)c2CC1 | 10.1021/jm051237e | |||
CHEMBL383451 | 141410 | None | 0 | Human | Functional | pKi | = | 8.4 | 8.4 | - | 0 | ChEMBL | 335 | 0 | 1 | 2 | 4.3 | CN1CCc2ccccc2Cc2cc(Cl)c(O)c(Cl)c2CC1 | 10.1021/jm051237e | |||
16090821 | 81864 | None | 0 | Human | Functional | pKi | = | 6.5 | 6.5 | - | 0 | ChEMBL | 304 | 0 | 1 | 1 | 4.2 | CN1CCCc2c([nH]c3ccccc23)Cc2ccccc2CC1 | 10.1021/jm060213k | |||
CHEMBL216439 | 81864 | None | 0 | Human | Functional | pKi | = | 6.5 | 6.5 | - | 0 | ChEMBL | 304 | 0 | 1 | 1 | 4.2 | CN1CCCc2c([nH]c3ccccc23)Cc2ccccc2CC1 | 10.1021/jm060213k | |||
11718008 | 75317 | None | 0 | Human | Functional | pKi | = | 7.5 | 7.5 | - | 0 | ChEMBL | 349 | 1 | 0 | 2 | 4.6 | COc1c(Cl)cc2c(c1Cl)Cc1ccccc1CCN(C)CC2 | 10.1021/jm051237e | |||
CHEMBL203734 | 75317 | None | 0 | Human | Functional | pKi | = | 7.5 | 7.5 | - | 0 | ChEMBL | 349 | 1 | 0 | 2 | 4.6 | COc1c(Cl)cc2c(c1Cl)Cc1ccccc1CCN(C)CC2 | 10.1021/jm051237e | |||
137284323 | 184959 | None | 0 | Human | Functional | pKi | = | 7.5 | 7.5 | - | 1 | ChEMBL | 341 | 1 | 1 | 3 | 4.9 | CN1CC=C(C2=Nc3cc(Cl)ccc3Nc3ccc(F)cc32)CC1 | 10.1016/j.bmcl.2021.127911 | |||
CHEMBL4852403 | 184959 | None | 0 | Human | Functional | pKi | = | 7.5 | 7.5 | - | 1 | ChEMBL | 341 | 1 | 1 | 3 | 4.9 | CN1CC=C(C2=Nc3cc(Cl)ccc3Nc3ccc(F)cc32)CC1 | 10.1016/j.bmcl.2021.127911 | |||
11536995 | 139642 | None | 0 | Human | Functional | pKi | = | 7.4 | 7.4 | - | 0 | ChEMBL | 281 | 1 | 0 | 2 | 3.3 | COc1cccc2c1Cc1ccccc1CCN(C)CC2 | 10.1021/jm051237e | |||
CHEMBL379662 | 139642 | None | 0 | Human | Functional | pKi | = | 7.4 | 7.4 | - | 0 | ChEMBL | 281 | 1 | 0 | 2 | 3.3 | COc1cccc2c1Cc1ccccc1CCN(C)CC2 | 10.1021/jm051237e | |||
147230103 | 180259 | None | 0 | Human | Functional | pKi | = | 6.4 | 6.4 | - | 2 | ChEMBL | 323 | 1 | 1 | 3 | 4.8 | CN1CC=C(C2=Nc3cc(Cl)ccc3Nc3ccccc32)CC1 | 10.1016/j.bmcl.2021.127911 | |||
CHEMBL4748915 | 180259 | None | 0 | Human | Functional | pKi | = | 6.4 | 6.4 | - | 2 | ChEMBL | 323 | 1 | 1 | 3 | 4.8 | CN1CC=C(C2=Nc3cc(Cl)ccc3Nc3ccccc32)CC1 | 10.1016/j.bmcl.2021.127911 | |||
5249956 | 73420 | None | 0 | Human | Functional | pKi | = | 7.4 | 7.4 | - | 0 | ChEMBL | 251 | 0 | 0 | 1 | 3.3 | CN1CCc2ccccc2Cc2ccccc2CC1 | 10.1021/jm050846j | |||
CHEMBL201525 | 73420 | None | 0 | Human | Functional | pKi | = | 7.4 | 7.4 | - | 0 | ChEMBL | 251 | 0 | 0 | 1 | 3.3 | CN1CCc2ccccc2Cc2ccccc2CC1 | 10.1021/jm050846j | |||
135398737 | 958 | None | 57 | Human | Functional | pKi | = | 7.4 | 7.4 | -112 | 43 | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 10.1016/j.bmcl.2021.127911 | |||
135398737.0 | 958 | None | 57 | Human | Functional | pKi | = | 7.4 | 7.4 | -112 | 43 | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 10.1016/j.bmcl.2021.127911 | |||
38 | 958 | None | 57 | Human | Functional | pKi | = | 7.4 | 7.4 | -112 | 43 | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 10.1016/j.bmcl.2021.127911 | |||
722 | 958 | None | 57 | Human | Functional | pKi | = | 7.4 | 7.4 | -112 | 43 | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 10.1016/j.bmcl.2021.127911 | |||
CHEMBL42 | 958 | None | 57 | Human | Functional | pKi | = | 7.4 | 7.4 | -112 | 43 | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 10.1016/j.bmcl.2021.127911 | |||
DB00363 | 958 | None | 57 | Human | Functional | pKi | = | 7.4 | 7.4 | -112 | 43 | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 10.1016/j.bmcl.2021.127911 | |||
11500677 | 140935 | None | 0 | Human | Functional | pKi | = | 6.3 | 6.3 | - | 0 | ChEMBL | 281 | 1 | 0 | 2 | 3.3 | COc1ccc2c(c1)Cc1ccccc1CCN(C)CC2 | 10.1021/jm051237e | |||
CHEMBL381946 | 140935 | None | 0 | Human | Functional | pKi | = | 6.3 | 6.3 | - | 0 | ChEMBL | 281 | 1 | 0 | 2 | 3.3 | COc1ccc2c(c1)Cc1ccccc1CCN(C)CC2 | 10.1021/jm051237e | |||
147200197 | 185820 | None | 0 | Human | Functional | pKi | = | 7.2 | 7.2 | - | 0 | ChEMBL | 317 | 1 | 1 | 3 | 4.7 | Cc1ccc2c(c1)N=C(C1=CCN(C)CC1)c1cc(C)ccc1N2 | 10.1016/j.bmcl.2021.127911 | |||
CHEMBL4865663 | 185820 | None | 0 | Human | Functional | pKi | = | 7.2 | 7.2 | - | 0 | ChEMBL | 317 | 1 | 1 | 3 | 4.7 | Cc1ccc2c(c1)N=C(C1=CCN(C)CC1)c1cc(C)ccc1N2 | 10.1016/j.bmcl.2021.127911 | |||
11595240 | 140275 | None | 0 | Human | Functional | pKi | = | 8.2 | 8.2 | - | 0 | ChEMBL | 301 | 0 | 1 | 2 | 3.7 | CN1CCc2ccccc2Cc2c(ccc(O)c2Cl)CC1 | 10.1021/jm051237e | |||
CHEMBL380464 | 140275 | None | 0 | Human | Functional | pKi | = | 8.2 | 8.2 | - | 0 | ChEMBL | 301 | 0 | 1 | 2 | 3.7 | CN1CCc2ccccc2Cc2c(ccc(O)c2Cl)CC1 | 10.1021/jm051237e | |||
11558055 | 73177 | None | 0 | Human | Functional | pKi | = | 8.2 | 8.2 | - | 0 | ChEMBL | 267 | 0 | 1 | 2 | 3.0 | CN1CCc2ccccc2Cc2ccc(O)cc2CC1 | 10.1021/jm050846j | |||
CHEMBL1204122 | 73177 | None | 0 | Human | Functional | pKi | = | 8.2 | 8.2 | - | 0 | ChEMBL | 267 | 0 | 1 | 2 | 3.0 | CN1CCc2ccccc2Cc2ccc(O)cc2CC1 | 10.1021/jm050846j | |||
CHEMBL201170 | 73177 | None | 0 | Human | Functional | pKi | = | 8.2 | 8.2 | - | 0 | ChEMBL | 267 | 0 | 1 | 2 | 3.0 | CN1CCc2ccccc2Cc2ccc(O)cc2CC1 | 10.1021/jm050846j | |||
4350931 | 169416 | None | 30 | Human | Functional | pKi | = | 7.2 | 7.2 | - | 1 | ChEMBL | 290 | 0 | 1 | 1 | 3.8 | CN1CCc2ccccc2Cc2[nH]c3ccccc3c2CC1 | 10.1021/jm060213k | |||
CHEMBL441618 | 169416 | None | 30 | Human | Functional | pKi | = | 7.2 | 7.2 | - | 1 | ChEMBL | 290 | 0 | 1 | 1 | 3.8 | CN1CCc2ccccc2Cc2[nH]c3ccccc3c2CC1 | 10.1021/jm060213k | |||
4350931 | 169416 | None | 30 | Human | Functional | pKi | = | 7.2 | 7.2 | - | 1 | ChEMBL | 290 | 0 | 1 | 1 | 3.8 | CN1CCc2ccccc2Cc2[nH]c3ccccc3c2CC1 | 10.1021/jm051237e | |||
CHEMBL441618 | 169416 | None | 30 | Human | Functional | pKi | = | 7.2 | 7.2 | - | 1 | ChEMBL | 290 | 0 | 1 | 1 | 3.8 | CN1CCc2ccccc2Cc2[nH]c3ccccc3c2CC1 | 10.1021/jm051237e | |||
11522339 | 75278 | None | 0 | Human | Functional | pKi | = | 7.2 | 7.2 | - | 0 | ChEMBL | 267 | 0 | 1 | 2 | 3.0 | CN1CCc2ccccc2Cc2c(O)cccc2CC1 | 10.1021/jm051237e | |||
CHEMBL203689 | 75278 | None | 0 | Human | Functional | pKi | = | 7.2 | 7.2 | - | 0 | ChEMBL | 267 | 0 | 1 | 2 | 3.0 | CN1CCc2ccccc2Cc2c(O)cccc2CC1 | 10.1021/jm051237e | |||
5249952 | 73433 | None | 5 | Human | Functional | pKi | = | 6.1 | 6.1 | - | 0 | ChEMBL | 304 | 1 | 1 | 1 | 4.4 | CN1CCc2c([nH]c3ccccc23)CC(c2ccccc2)CC1 | 10.1021/jm050846j | |||
CHEMBL201584 | 73433 | None | 5 | Human | Functional | pKi | = | 6.1 | 6.1 | - | 0 | ChEMBL | 304 | 1 | 1 | 1 | 4.4 | CN1CCc2c([nH]c3ccccc23)CC(c2ccccc2)CC1 | 10.1021/jm050846j | |||
135409468 | 2035 | None | 50 | Human | Functional | pKi | = | 7.1 | 7.1 | - | 5 | ChEMBL | 312 | 1 | 2 | 4 | 1.7 | Clc1ccc2c(c1)NC(=c1c(=N2)cccc1)N1CCNCC1 | 10.1016/j.bmcl.2021.127911 | |||
333 | 2035 | None | 50 | Human | Functional | pKi | = | 7.1 | 7.1 | - | 5 | ChEMBL | 312 | 1 | 2 | 4 | 1.7 | Clc1ccc2c(c1)NC(=c1c(=N2)cccc1)N1CCNCC1 | 10.1016/j.bmcl.2021.127911 | |||
CHEMBL845 | 2035 | None | 50 | Human | Functional | pKi | = | 7.1 | 7.1 | - | 5 | ChEMBL | 312 | 1 | 2 | 4 | 1.7 | Clc1ccc2c(c1)NC(=c1c(=N2)cccc1)N1CCNCC1 | 10.1016/j.bmcl.2021.127911 | |||
164623328 | 185982 | None | 0 | Human | Functional | pKi | = | 7.1 | 7.1 | - | 0 | ChEMBL | 331 | 2 | 1 | 3 | 5.0 | CCc1ccc2c(c1)C(C1=CCN(C)CC1)=Nc1cc(C)ccc1N2 | 10.1016/j.bmcl.2021.127911 | |||
CHEMBL4868181 | 185982 | None | 0 | Human | Functional | pKi | = | 7.1 | 7.1 | - | 0 | ChEMBL | 331 | 2 | 1 | 3 | 5.0 | CCc1ccc2c(c1)C(C1=CCN(C)CC1)=Nc1cc(C)ccc1N2 | 10.1016/j.bmcl.2021.127911 | |||
149505732 | 186337 | None | 0 | Human | Functional | pKi | = | 7.0 | 7.0 | - | 1 | ChEMBL | 321 | 1 | 1 | 3 | 4.6 | Cc1ccc2c(c1)N=C(C1=CCN(C)CC1)c1cc(F)ccc1N2 | 10.1016/j.bmcl.2021.127911 | |||
CHEMBL4873426 | 186337 | None | 0 | Human | Functional | pKi | = | 7.0 | 7.0 | - | 1 | ChEMBL | 321 | 1 | 1 | 3 | 4.6 | Cc1ccc2c(c1)N=C(C1=CCN(C)CC1)c1cc(F)ccc1N2 | 10.1016/j.bmcl.2021.127911 | |||
1225 | 1471 | None | 18 | Human | Functional | pEC50 | = | 8.2 | 8.2 | -3 | 11 | Drug Central | 279 | 3 | 0 | 2 | 4.0 | CN(CC/C=C\1/c2ccccc2OCc2c1cccc2)C | None | |||
3958 | 1471 | None | 18 | Human | Functional | pEC50 | = | 8.2 | 8.2 | -3 | 11 | Drug Central | 279 | 3 | 0 | 2 | 4.0 | CN(CC/C=C\1/c2ccccc2OCc2c1cccc2)C | None | |||
667477 | 1471 | None | 18 | Human | Functional | pEC50 | = | 8.2 | 8.2 | -3 | 11 | Drug Central | 279 | 3 | 0 | 2 | 4.0 | CN(CC/C=C\1/c2ccccc2OCc2c1cccc2)C | None | |||
667477.0 | 1471 | None | 18 | Human | Functional | pEC50 | = | 8.2 | 8.2 | -3 | 11 | Drug Central | 279 | 3 | 0 | 2 | 4.0 | CN(CC/C=C\1/c2ccccc2OCc2c1cccc2)C | None | |||
CHEMBL860 | 1471 | None | 18 | Human | Functional | pEC50 | = | 8.2 | 8.2 | -3 | 11 | Drug Central | 279 | 3 | 0 | 2 | 4.0 | CN(CC/C=C\1/c2ccccc2OCc2c1cccc2)C | None | |||
DB01142 | 1471 | None | 18 | Human | Functional | pEC50 | = | 8.2 | 8.2 | -3 | 11 | Drug Central | 279 | 3 | 0 | 2 | 4.0 | CN(CC/C=C\1/c2ccccc2OCc2c1cccc2)C | None | |||
133538 | 3619 | None | 21 | Human | Functional | pEC50 | = | 9.7 | 9.7 | 1584 | 2 | Guide to Pharmacology | 317 | 1 | 2 | 3 | 3.7 | CN1CCc2c(C(C1)c1cccc(c1)C)cc(c(c2Cl)O)O | 25660762 | |||
8443 | 3619 | None | 21 | Human | Functional | pEC50 | = | 9.7 | 9.7 | 1584 | 2 | Guide to Pharmacology | 317 | 1 | 2 | 3 | 3.7 | CN1CCc2c(C(C1)c1cccc(c1)C)cc(c(c2Cl)O)O | 25660762 | |||
CHEMBL574558 | 3619 | None | 21 | Human | Functional | pEC50 | = | 9.7 | 9.7 | 1584 | 2 | Guide to Pharmacology | 317 | 1 | 2 | 3 | 3.7 | CN1CCc2c(C(C1)c1cccc(c1)C)cc(c(c2Cl)O)O | 25660762 | |||
12170 | 3910 | None | 14 | Human | Functional | pEC50 | = | 7.2 | 7.2 | - | 1 | Guide to Pharmacology | 279 | 4 | 1 | 3 | 3.7 | N=S(=O)(c1ccc(c2ccccc2OCF)cc1)C | 36044544 | |||
137364063 | 3910 | None | 14 | Human | Functional | pEC50 | = | 7.2 | 7.2 | - | 1 | Guide to Pharmacology | 279 | 4 | 1 | 3 | 3.7 | N=S(=O)(c1ccc(c2ccccc2OCF)cc1)C | 36044544 | |||
CHEMBL5172089 | 3910 | None | 14 | Human | Functional | pEC50 | = | 7.2 | 7.2 | - | 1 | Guide to Pharmacology | 279 | 4 | 1 | 3 | 3.7 | N=S(=O)(c1ccc(c2ccccc2OCF)cc1)C | 36044544 | |||
10506 | 2524 | None | 24 | Human | Functional | pEC50 | = | 8.6 | 8.6 | 20 | 3 | Guide to Pharmacology | 449 | 6 | 2 | 3 | 4.7 | OC[C@H]1Cc2c(cccc2[C@@H](N1C(=O)Cc1c(Cl)cccc1Cl)C)CCC(O)(C)C | 31532644 | |||
86290953 | 2524 | None | 24 | Human | Functional | pEC50 | = | 8.6 | 8.6 | 20 | 3 | Guide to Pharmacology | 449 | 6 | 2 | 3 | 4.7 | OC[C@H]1Cc2c(cccc2[C@@H](N1C(=O)Cc1c(Cl)cccc1Cl)C)CCC(O)(C)C | 31532644 | |||
86290953.0 | 2524 | None | 24 | Human | Functional | pEC50 | = | 8.6 | 8.6 | 20 | 3 | Guide to Pharmacology | 449 | 6 | 2 | 3 | 4.7 | OC[C@H]1Cc2c(cccc2[C@@H](N1C(=O)Cc1c(Cl)cccc1Cl)C)CCC(O)(C)C | 31532644 | |||
CHEMBL3421729 | 2524 | None | 24 | Human | Functional | pEC50 | = | 8.6 | 8.6 | 20 | 3 | Guide to Pharmacology | 449 | 6 | 2 | 3 | 4.7 | OC[C@H]1Cc2c(cccc2[C@@H](N1C(=O)Cc1c(Cl)cccc1Cl)C)CCC(O)(C)C | 31532644 | |||
10506 | 2524 | None | 24 | Mouse | Functional | pEC50 | = | 7.2 | 7.2 | -20 | 3 | Guide to Pharmacology | 449 | 6 | 2 | 3 | 4.7 | OC[C@H]1Cc2c(cccc2[C@@H](N1C(=O)Cc1c(Cl)cccc1Cl)C)CCC(O)(C)C | 31532644 | |||
86290953 | 2524 | None | 24 | Mouse | Functional | pEC50 | = | 7.2 | 7.2 | -20 | 3 | Guide to Pharmacology | 449 | 6 | 2 | 3 | 4.7 | OC[C@H]1Cc2c(cccc2[C@@H](N1C(=O)Cc1c(Cl)cccc1Cl)C)CCC(O)(C)C | 31532644 | |||
86290953.0 | 2524 | None | 24 | Mouse | Functional | pEC50 | = | 7.2 | 7.2 | -20 | 3 | Guide to Pharmacology | 449 | 6 | 2 | 3 | 4.7 | OC[C@H]1Cc2c(cccc2[C@@H](N1C(=O)Cc1c(Cl)cccc1Cl)C)CCC(O)(C)C | 31532644 | |||
CHEMBL3421729 | 2524 | None | 24 | Mouse | Functional | pEC50 | = | 7.2 | 7.2 | -20 | 3 | Guide to Pharmacology | 449 | 6 | 2 | 3 | 4.7 | OC[C@H]1Cc2c(cccc2[C@@H](N1C(=O)Cc1c(Cl)cccc1Cl)C)CCC(O)(C)C | 31532644 | |||
122324 | 205 | None | 17 | Human | Functional | pEC50 | = | 6.8 | 6.8 | -4 | 4 | Guide to Pharmacology | 271 | 2 | 3 | 4 | 2.4 | NC[C@@H]1O[C@@H](Cc2c1ccc(c2O)O)c1ccccc1 | 16318870 | |||
6077 | 205 | None | 17 | Human | Functional | pEC50 | = | 6.8 | 6.8 | -4 | 4 | Guide to Pharmacology | 271 | 2 | 3 | 4 | 2.4 | NC[C@@H]1O[C@@H](Cc2c1ccc(c2O)O)c1ccccc1 | 16318870 | |||
CHEMBL86931 | 205 | None | 17 | Human | Functional | pEC50 | = | 6.8 | 6.8 | -4 | 4 | Guide to Pharmacology | 271 | 2 | 3 | 4 | 2.4 | NC[C@@H]1O[C@@H](Cc2c1ccc(c2O)O)c1ccccc1 | 16318870 | |||
11938 | 2412 | None | 8 | Human | Functional | pEC50 | = | 7.9 | 7.9 | 11 | 4 | Guide to Pharmacology | 443 | 4 | 1 | 4 | 4.4 | C[C@H]1c2cccc(c3cn(C)nc3)c2C[C@H](CO)N1C(=O)Cc1c(Cl)cccc1Cl | 35175768 | |||
146192952 | 2412 | None | 8 | Human | Functional | pEC50 | = | 7.9 | 7.9 | 11 | 4 | Guide to Pharmacology | 443 | 4 | 1 | 4 | 4.4 | C[C@H]1c2cccc(c3cn(C)nc3)c2C[C@H](CO)N1C(=O)Cc1c(Cl)cccc1Cl | 35175768 | |||
CHEMBL4468760 | 2412 | None | 8 | Human | Functional | pEC50 | = | 7.9 | 7.9 | 11 | 4 | Guide to Pharmacology | 443 | 4 | 1 | 4 | 4.4 | C[C@H]1c2cccc(c3cn(C)nc3)c2C[C@H](CO)N1C(=O)Cc1c(Cl)cccc1Cl | 35175768 | |||
100 | 3805 | None | 44 | Human | Functional | pIC50 | = | 8.2 | 8.2 | -7 | 38 | Drug Central | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | None | |||
2637 | 3805 | None | 44 | Human | Functional | pIC50 | = | 8.2 | 8.2 | -7 | 38 | Drug Central | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | None | |||
5452 | 3805 | None | 44 | Human | Functional | pIC50 | = | 8.2 | 8.2 | -7 | 38 | Drug Central | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | None | |||
CHEMBL479 | 3805 | None | 44 | Human | Functional | pIC50 | = | 8.2 | 8.2 | -7 | 38 | Drug Central | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | None | |||
DB00679 | 3805 | None | 44 | Human | Functional | pIC50 | = | 8.2 | 8.2 | -7 | 38 | Drug Central | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | None |
Ligands (move mouse cursor over ligand name to see structure) | Receptor | Activity | Chemical information | |||||||||||||||||||
---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Sel. page | Common name |
GPCRdb ID |
Reference ligand |
Vendors |
Species |
Assay Type |
Activity Type |
Activity Relation |
Activity Value |
p-value (-log) |
Fold selectivity |
Tested GPCRs |
Assay Description |
Source |
Mol weight |
Rot Bonds |
H don |
H acc |
LogP |
Smiles |
DOI |
|
3294 | 2006 | None | 61 | Human | Binding | pAC50 | = | 8 | 8.0 | -56 | 44 | ChEMBL | 426 | 8 | 0 | 6 | 4.8 | COc1cc(ccc1OCCCN1CCC(CC1)c1noc2c1ccc(c2)F)C(=O)C | 10.1038/s41467-023-40064-9 | |||
71360 | 2006 | None | 61 | Human | Binding | pAC50 | = | 8 | 8.0 | -56 | 44 | ChEMBL | 426 | 8 | 0 | 6 | 4.8 | COc1cc(ccc1OCCCN1CCC(CC1)c1noc2c1ccc(c2)F)C(=O)C | 10.1038/s41467-023-40064-9 | |||
71360.0 | 2006 | None | 61 | Human | Binding | pAC50 | = | 8 | 8.0 | -56 | 44 | ChEMBL | 426 | 8 | 0 | 6 | 4.8 | COc1cc(ccc1OCCCN1CCC(CC1)c1noc2c1ccc(c2)F)C(=O)C | 10.1038/s41467-023-40064-9 | |||
87 | 2006 | None | 61 | Human | Binding | pAC50 | = | 8 | 8.0 | -56 | 44 | ChEMBL | 426 | 8 | 0 | 6 | 4.8 | COc1cc(ccc1OCCCN1CCC(CC1)c1noc2c1ccc(c2)F)C(=O)C | 10.1038/s41467-023-40064-9 | |||
CHEMBL14376 | 2006 | None | 61 | Human | Binding | pAC50 | = | 8 | 8.0 | -56 | 44 | ChEMBL | 426 | 8 | 0 | 6 | 4.8 | COc1cc(ccc1OCCCN1CCC(CC1)c1noc2c1ccc(c2)F)C(=O)C | 10.1038/s41467-023-40064-9 | |||
DB04946 | 2006 | None | 61 | Human | Binding | pAC50 | = | 8 | 8.0 | -56 | 44 | ChEMBL | 426 | 8 | 0 | 6 | 4.8 | COc1cc(ccc1OCCCN1CCC(CC1)c1noc2c1ccc(c2)F)C(=O)C | 10.1038/s41467-023-40064-9 | |||
103 | 4153 | None | 44 | Human | Binding | pAC50 | = | 8 | 8.0 | -28 | 53 | ChEMBL | 331 | 4 | 0 | 3 | 4.9 | CN(CCOC1=Cc2ccccc2Sc2c1cc(Cl)cc2)C | 10.1038/s41467-023-40064-9 | |||
2875 | 4153 | None | 44 | Human | Binding | pAC50 | = | 8 | 8.0 | -28 | 53 | ChEMBL | 331 | 4 | 0 | 3 | 4.9 | CN(CCOC1=Cc2ccccc2Sc2c1cc(Cl)cc2)C | 10.1038/s41467-023-40064-9 | |||
5736 | 4153 | None | 44 | Human | Binding | pAC50 | = | 8 | 8.0 | -28 | 53 | ChEMBL | 331 | 4 | 0 | 3 | 4.9 | CN(CCOC1=Cc2ccccc2Sc2c1cc(Cl)cc2)C | 10.1038/s41467-023-40064-9 | |||
CHEMBL285802 | 4153 | None | 44 | Human | Binding | pAC50 | = | 8 | 8.0 | -28 | 53 | ChEMBL | 331 | 4 | 0 | 3 | 4.9 | CN(CCOC1=Cc2ccccc2Sc2c1cc(Cl)cc2)C | 10.1038/s41467-023-40064-9 | |||
DB09225 | 4153 | None | 44 | Human | Binding | pAC50 | = | 8 | 8.0 | -28 | 53 | ChEMBL | 331 | 4 | 0 | 3 | 4.9 | CN(CCOC1=Cc2ccccc2Sc2c1cc(Cl)cc2)C | 10.1038/s41467-023-40064-9 | |||
3036780 | 107587 | None | 16 | Human | Binding | pAC50 | = | 8 | 8.0 | -35 | 53 | ChEMBL | 285 | 0 | 0 | 2 | 4.3 | CN1CC2c3ccccc3Oc3ccc(Cl)cc3C2C1 | 10.1038/s41467-023-40064-9 | |||
3036780.0 | 107587 | None | 16 | Human | Binding | pAC50 | = | 8 | 8.0 | -35 | 53 | ChEMBL | 285 | 0 | 0 | 2 | 4.3 | CN1CC2c3ccccc3Oc3ccc(Cl)cc3C2C1 | 10.1038/s41467-023-40064-9 | |||
46780481 | 107587 | None | 16 | Human | Binding | pAC50 | = | 8 | 8.0 | -35 | 53 | ChEMBL | 285 | 0 | 0 | 2 | 4.3 | CN1CC2c3ccccc3Oc3ccc(Cl)cc3C2C1 | 10.1038/s41467-023-40064-9 | |||
9903970 | 107587 | None | 16 | Human | Binding | pAC50 | = | 8 | 8.0 | -35 | 53 | ChEMBL | 285 | 0 | 0 | 2 | 4.3 | CN1CC2c3ccccc3Oc3ccc(Cl)cc3C2C1 | 10.1038/s41467-023-40064-9 | |||
9903970.0 | 107587 | None | 16 | Human | Binding | pAC50 | = | 8 | 8.0 | -35 | 53 | ChEMBL | 285 | 0 | 0 | 2 | 4.3 | CN1CC2c3ccccc3Oc3ccc(Cl)cc3C2C1 | 10.1038/s41467-023-40064-9 | |||
CHEMBL3187365 | 107587 | None | 16 | Human | Binding | pAC50 | = | 8 | 8.0 | -35 | 53 | ChEMBL | 285 | 0 | 0 | 2 | 4.3 | CN1CC2c3ccccc3Oc3ccc(Cl)cc3C2C1 | 10.1038/s41467-023-40064-9 | |||
CHEMBL3544974 | 107587 | None | 16 | Human | Binding | pAC50 | = | 8 | 8.0 | -35 | 53 | ChEMBL | 285 | 0 | 0 | 2 | 4.3 | CN1CC2c3ccccc3Oc3ccc(Cl)cc3C2C1 | 10.1038/s41467-023-40064-9 | |||
CHEMBL504548 | 107587 | None | 16 | Human | Binding | pAC50 | = | 8 | 8.0 | -35 | 53 | ChEMBL | 285 | 0 | 0 | 2 | 4.3 | CN1CC2c3ccccc3Oc3ccc(Cl)cc3C2C1 | 10.1038/s41467-023-40064-9 | |||
DB06216 | 107587 | None | 16 | Human | Binding | pAC50 | = | 8 | 8.0 | -35 | 53 | ChEMBL | 285 | 0 | 0 | 2 | 4.3 | CN1CC2c3ccccc3Oc3ccc(Cl)cc3C2C1 | 10.1038/s41467-023-40064-9 | |||
17676 | 7074 | None | 25 | Human | Binding | pAC50 | = | 7 | 7.0 | - | 3 | ChEMBL | 411 | 7 | 1 | 6 | 3.5 | CC(=O)c1ccc2c(c1)N(CCCN1CCN(CCO)CC1)c1ccccc1S2 | 10.1038/s41467-023-40064-9 | |||
17676.0 | 7074 | None | 25 | Human | Binding | pAC50 | = | 7 | 7.0 | - | 3 | ChEMBL | 411 | 7 | 1 | 6 | 3.5 | CC(=O)c1ccc2c(c1)N(CCCN1CCN(CCO)CC1)c1ccccc1S2 | 10.1038/s41467-023-40064-9 | |||
5281082 | 7074 | None | 25 | Human | Binding | pAC50 | = | 7 | 7.0 | - | 3 | ChEMBL | 411 | 7 | 1 | 6 | 3.5 | CC(=O)c1ccc2c(c1)N(CCCN1CCN(CCO)CC1)c1ccccc1S2 | 10.1038/s41467-023-40064-9 | |||
CHEMBL1085 | 7074 | None | 25 | Human | Binding | pAC50 | = | 7 | 7.0 | - | 3 | ChEMBL | 411 | 7 | 1 | 6 | 3.5 | CC(=O)c1ccc2c(c1)N(CCCN1CCN(CCO)CC1)c1ccccc1S2 | 10.1038/s41467-023-40064-9 | |||
DB01063 | 7074 | None | 25 | Human | Binding | pAC50 | = | 7 | 7.0 | - | 3 | ChEMBL | 411 | 7 | 1 | 6 | 3.5 | CC(=O)c1ccc2c(c1)N(CCCN1CCN(CCO)CC1)c1ccccc1S2 | 10.1038/s41467-023-40064-9 | |||
2105 | 3054 | None | 28 | Human | Binding | pAC50 | = | 6 | 6.0 | -537 | 33 | 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 | None | 28 | Human | Binding | pAC50 | = | 6 | 6.0 | -537 | 33 | 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 | None | 28 | Human | Binding | pAC50 | = | 6 | 6.0 | -537 | 33 | 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 | None | 28 | Human | Binding | pAC50 | = | 6 | 6.0 | -537 | 33 | 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 | None | 28 | Human | Binding | pAC50 | = | 6 | 6.0 | -537 | 33 | 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 | |||
CHEMBL508338 | 189074 | None | 0 | Human | Binding | pAC50 | = | 5 | 5.0 | - | 6 | ChEMBL | None | None | None | None | 10.1038/s41467-023-40064-9 | |||||
6237 | 86838 | None | 41 | Human | Binding | pAC50 | = | 5 | 5.0 | - | 0 | ChEMBL | 518 | 3 | 1 | 3 | 5.1 | CCc1oc2ccccc2c1C(=O)c1cc(I)c(O)c(I)c1 | 10.1038/s41467-023-40064-9 | |||
CHEMBL232201 | 86838 | None | 41 | Human | Binding | pAC50 | = | 5 | 5.0 | - | 0 | ChEMBL | 518 | 3 | 1 | 3 | 5.1 | CCc1oc2ccccc2c1C(=O)c1cc(I)c(O)c(I)c1 | 10.1038/s41467-023-40064-9 | |||
2237 | 3162 | None | 53 | Human | Binding | pAC50 | = | 5 | 5.0 | - | 3 | ChEMBL | 481 | 9 | 2 | 7 | 4.6 | O=C(c1ccc(cc1)OCCCCc1ccccc1)Nc1cccc2c1oc(cc2=O)c1[nH]nnn1 | 10.1038/s41467-023-40064-9 | |||
3634 | 3162 | None | 53 | Human | Binding | pAC50 | = | 5 | 5.0 | - | 3 | ChEMBL | 481 | 9 | 2 | 7 | 4.6 | O=C(c1ccc(cc1)OCCCCc1ccccc1)Nc1cccc2c1oc(cc2=O)c1[nH]nnn1 | 10.1038/s41467-023-40064-9 | |||
4887 | 3162 | None | 53 | Human | Binding | pAC50 | = | 5 | 5.0 | - | 3 | ChEMBL | 481 | 9 | 2 | 7 | 4.6 | O=C(c1ccc(cc1)OCCCCc1ccccc1)Nc1cccc2c1oc(cc2=O)c1[nH]nnn1 | 10.1038/s41467-023-40064-9 | |||
4887.0 | 3162 | None | 53 | Human | Binding | pAC50 | = | 5 | 5.0 | - | 3 | ChEMBL | 481 | 9 | 2 | 7 | 4.6 | O=C(c1ccc(cc1)OCCCCc1ccccc1)Nc1cccc2c1oc(cc2=O)c1[nH]nnn1 | 10.1038/s41467-023-40064-9 | |||
CHEMBL21333 | 3162 | None | 53 | Human | Binding | pAC50 | = | 5 | 5.0 | - | 3 | ChEMBL | 481 | 9 | 2 | 7 | 4.6 | O=C(c1ccc(cc1)OCCCCc1ccccc1)Nc1cccc2c1oc(cc2=O)c1[nH]nnn1 | 10.1038/s41467-023-40064-9 | |||
DB01411 | 3162 | None | 53 | Human | Binding | pAC50 | = | 5 | 5.0 | - | 3 | ChEMBL | 481 | 9 | 2 | 7 | 4.6 | O=C(c1ccc(cc1)OCCCCc1ccccc1)Nc1cccc2c1oc(cc2=O)c1[nH]nnn1 | 10.1038/s41467-023-40064-9 | |||
60663 | 175773 | None | 30 | Human | Binding | pAC50 | = | 5 | 5.0 | - | 0 | ChEMBL | 495 | 11 | 1 | 5 | 5.3 | COCC(=O)O[C@]1(CCN(C)CCCc2nc3ccccc3[nH]2)CCc2cc(F)ccc2[C@@H]1C(C)C | 10.1038/s41467-023-40064-9 | |||
CHEMBL1421212 | 175773 | None | 30 | Human | Binding | pAC50 | = | 5 | 5.0 | - | 0 | ChEMBL | 495 | 11 | 1 | 5 | 5.3 | COCC(=O)O[C@]1(CCN(C)CCCc2nc3ccccc3[nH]2)CCc2cc(F)ccc2[C@@H]1C(C)C | 10.1038/s41467-023-40064-9 | |||
CHEMBL1534525 | 175773 | None | 30 | Human | Binding | pAC50 | = | 5 | 5.0 | - | 0 | ChEMBL | 495 | 11 | 1 | 5 | 5.3 | COCC(=O)O[C@]1(CCN(C)CCCc2nc3ccccc3[nH]2)CCc2cc(F)ccc2[C@@H]1C(C)C | 10.1038/s41467-023-40064-9 | |||
CHEMBL45816 | 175773 | None | 30 | Human | Binding | pAC50 | = | 5 | 5.0 | - | 0 | ChEMBL | 495 | 11 | 1 | 5 | 5.3 | COCC(=O)O[C@]1(CCN(C)CCCc2nc3ccccc3[nH]2)CCc2cc(F)ccc2[C@@H]1C(C)C | 10.1038/s41467-023-40064-9 | |||
1613 | 2348 | None | 42 | Human | Binding | pAC50 | = | 7.0 | 7.0 | -4 | 44 | ChEMBL | 327 | 0 | 0 | 4 | 3.8 | CN1CCN(CC1)C1=Nc2ccccc2Oc2c1cc(Cl)cc2 | 10.1038/s41467-023-40064-9 | |||
205 | 2348 | None | 42 | Human | Binding | pAC50 | = | 7.0 | 7.0 | -4 | 44 | ChEMBL | 327 | 0 | 0 | 4 | 3.8 | CN1CCN(CC1)C1=Nc2ccccc2Oc2c1cc(Cl)cc2 | 10.1038/s41467-023-40064-9 | |||
3964 | 2348 | None | 42 | Human | Binding | pAC50 | = | 7.0 | 7.0 | -4 | 44 | ChEMBL | 327 | 0 | 0 | 4 | 3.8 | CN1CCN(CC1)C1=Nc2ccccc2Oc2c1cc(Cl)cc2 | 10.1038/s41467-023-40064-9 | |||
3964.0 | 2348 | None | 42 | Human | Binding | pAC50 | = | 7.0 | 7.0 | -4 | 44 | ChEMBL | 327 | 0 | 0 | 4 | 3.8 | CN1CCN(CC1)C1=Nc2ccccc2Oc2c1cc(Cl)cc2 | 10.1038/s41467-023-40064-9 | |||
CHEMBL831 | 2348 | None | 42 | Human | Binding | pAC50 | = | 7.0 | 7.0 | -4 | 44 | ChEMBL | 327 | 0 | 0 | 4 | 3.8 | CN1CCN(CC1)C1=Nc2ccccc2Oc2c1cc(Cl)cc2 | 10.1038/s41467-023-40064-9 | |||
DB00408 | 2348 | None | 42 | Human | Binding | pAC50 | = | 7.0 | 7.0 | -4 | 44 | ChEMBL | 327 | 0 | 0 | 4 | 3.8 | CN1CCN(CC1)C1=Nc2ccccc2Oc2c1cc(Cl)cc2 | 10.1038/s41467-023-40064-9 | |||
2993 | 114756 | None | 14 | Human | Binding | pAC50 | = | 6.0 | 6.0 | - | 0 | ChEMBL | 456 | 11 | 2 | 2 | 6.2 | Cc1cc(N)c2ccccc2[n+]1CCCCCCCCCC[n+]1c(C)cc(N)c2ccccc21 | 10.1038/s41467-023-40064-9 | |||
CHEMBL121663 | 114756 | None | 14 | Human | Binding | pAC50 | = | 6.0 | 6.0 | - | 0 | ChEMBL | 456 | 11 | 2 | 2 | 6.2 | Cc1cc(N)c2ccccc2[n+]1CCCCCCCCCC[n+]1c(C)cc(N)c2ccccc21 | 10.1038/s41467-023-40064-9 | |||
CHEMBL333826 | 114756 | None | 14 | Human | Binding | pAC50 | = | 6.0 | 6.0 | - | 0 | ChEMBL | 456 | 11 | 2 | 2 | 6.2 | Cc1cc(N)c2ccccc2[n+]1CCCCCCCCCC[n+]1c(C)cc(N)c2ccccc21 | 10.1038/s41467-023-40064-9 | |||
7099 | 197978 | None | 47 | Human | Binding | pAC50 | = | 5.0 | 5.0 | - | 0 | ChEMBL | 209 | 0 | 2 | 3 | 2.6 | Nc1ccc2cc3ccc(N)cc3nc2c1 | 10.1038/s41467-023-40064-9 | |||
CHEMBL55400 | 197978 | None | 47 | Human | Binding | pAC50 | = | 5.0 | 5.0 | - | 0 | ChEMBL | 209 | 0 | 2 | 3 | 2.6 | Nc1ccc2cc3ccc(N)cc3nc2c1 | 10.1038/s41467-023-40064-9 | |||
4151 | 3607 | None | 59 | Human | Binding | pAC50 | = | 5.0 | 5.0 | - | 16 | ChEMBL | 495 | 13 | 3 | 6 | 3.1 | OCCCN1CCc2c1c(cc(c2)C[C@H](NCCOc1ccccc1OCC(F)(F)F)C)C(=O)N | 10.1038/s41467-023-40064-9 | |||
493 | 3607 | None | 59 | Human | Binding | pAC50 | = | 5.0 | 5.0 | - | 16 | ChEMBL | 495 | 13 | 3 | 6 | 3.1 | OCCCN1CCc2c1c(cc(c2)C[C@H](NCCOc1ccccc1OCC(F)(F)F)C)C(=O)N | 10.1038/s41467-023-40064-9 | |||
5312125 | 3607 | None | 59 | Human | Binding | pAC50 | = | 5.0 | 5.0 | - | 16 | ChEMBL | 495 | 13 | 3 | 6 | 3.1 | OCCCN1CCc2c1c(cc(c2)C[C@H](NCCOc1ccccc1OCC(F)(F)F)C)C(=O)N | 10.1038/s41467-023-40064-9 | |||
5312125.0 | 3607 | None | 59 | Human | Binding | pAC50 | = | 5.0 | 5.0 | - | 16 | ChEMBL | 495 | 13 | 3 | 6 | 3.1 | OCCCN1CCc2c1c(cc(c2)C[C@H](NCCOc1ccccc1OCC(F)(F)F)C)C(=O)N | 10.1038/s41467-023-40064-9 | |||
CHEMBL24778 | 3607 | None | 59 | Human | Binding | pAC50 | = | 5.0 | 5.0 | - | 16 | ChEMBL | 495 | 13 | 3 | 6 | 3.1 | OCCCN1CCc2c1c(cc(c2)C[C@H](NCCOc1ccccc1OCC(F)(F)F)C)C(=O)N | 10.1038/s41467-023-40064-9 | |||
DB06207 | 3607 | None | 59 | Human | Binding | pAC50 | = | 5.0 | 5.0 | - | 16 | ChEMBL | 495 | 13 | 3 | 6 | 3.1 | OCCCN1CCc2c1c(cc(c2)C[C@H](NCCOc1ccccc1OCC(F)(F)F)C)C(=O)N | 10.1038/s41467-023-40064-9 | |||
2284 | 3182 | None | 26 | Human | Binding | pAC50 | = | 6.0 | 6.0 | -36 | 28 | ChEMBL | 284 | 4 | 0 | 3 | 4.2 | CN(CCCN1c2ccccc2Sc2c1cccc2)C | 10.1038/s41467-023-40064-9 | |||
4926 | 3182 | None | 26 | Human | Binding | pAC50 | = | 6.0 | 6.0 | -36 | 28 | ChEMBL | 284 | 4 | 0 | 3 | 4.2 | CN(CCCN1c2ccccc2Sc2c1cccc2)C | 10.1038/s41467-023-40064-9 | |||
7281 | 3182 | None | 26 | Human | Binding | pAC50 | = | 6.0 | 6.0 | -36 | 28 | ChEMBL | 284 | 4 | 0 | 3 | 4.2 | CN(CCCN1c2ccccc2Sc2c1cccc2)C | 10.1038/s41467-023-40064-9 | |||
CHEMBL564 | 3182 | None | 26 | Human | Binding | pAC50 | = | 6.0 | 6.0 | -36 | 28 | ChEMBL | 284 | 4 | 0 | 3 | 4.2 | CN(CCCN1c2ccccc2Sc2c1cccc2)C | 10.1038/s41467-023-40064-9 | |||
DB00420 | 3182 | None | 26 | Human | Binding | pAC50 | = | 6.0 | 6.0 | -36 | 28 | ChEMBL | 284 | 4 | 0 | 3 | 4.2 | CN(CCCN1c2ccccc2Sc2c1cccc2)C | 10.1038/s41467-023-40064-9 | |||
1830 | 2590 | None | 33 | Human | Binding | pAC50 | = | 5.0 | 5.0 | - | 27 | ChEMBL | 276 | 3 | 1 | 3 | 2.0 | CCc1c(C)[nH]c2c1C(=O)C(CC2)CN1CCOCC1 | 10.1038/s41467-023-40064-9 | |||
207 | 2590 | None | 33 | Human | Binding | pAC50 | = | 5.0 | 5.0 | - | 27 | ChEMBL | 276 | 3 | 1 | 3 | 2.0 | CCc1c(C)[nH]c2c1C(=O)C(CC2)CN1CCOCC1 | 10.1038/s41467-023-40064-9 | |||
23897 | 2590 | None | 33 | Human | Binding | pAC50 | = | 5.0 | 5.0 | - | 27 | ChEMBL | 276 | 3 | 1 | 3 | 2.0 | CCc1c(C)[nH]c2c1C(=O)C(CC2)CN1CCOCC1 | 10.1038/s41467-023-40064-9 | |||
23897.0 | 2590 | None | 33 | Human | Binding | pAC50 | = | 5.0 | 5.0 | - | 27 | ChEMBL | 276 | 3 | 1 | 3 | 2.0 | CCc1c(C)[nH]c2c1C(=O)C(CC2)CN1CCOCC1 | 10.1038/s41467-023-40064-9 | |||
CHEMBL460 | 2590 | None | 33 | Human | Binding | pAC50 | = | 5.0 | 5.0 | - | 27 | ChEMBL | 276 | 3 | 1 | 3 | 2.0 | CCc1c(C)[nH]c2c1C(=O)C(CC2)CN1CCOCC1 | 10.1038/s41467-023-40064-9 | |||
DB01618 | 2590 | None | 33 | Human | Binding | pAC50 | = | 5.0 | 5.0 | - | 27 | ChEMBL | 276 | 3 | 1 | 3 | 2.0 | CCc1c(C)[nH]c2c1C(=O)C(CC2)CN1CCOCC1 | 10.1038/s41467-023-40064-9 | |||
2520 | 206466 | None | 47 | Human | Binding | pAC50 | = | 5.0 | 5.0 | - | 11 | 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 | 206466 | None | 47 | Human | Binding | pAC50 | = | 5.0 | 5.0 | - | 11 | 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 | 206466 | None | 47 | Human | Binding | pAC50 | = | 5.0 | 5.0 | - | 11 | 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 | |||
2865 | 4143 | None | 47 | Human | Binding | pAC50 | = | 7.0 | 7.0 | -114 | 53 | 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 | None | 47 | Human | Binding | pAC50 | = | 7.0 | 7.0 | -114 | 53 | 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 | None | 47 | Human | Binding | pAC50 | = | 7.0 | 7.0 | -114 | 53 | ChEMBL | 412 | 4 | 1 | 5 | 3.8 | O=C1Nc2c(C1)cc(c(c2)Cl)CCN1CCN(CC1)c1nsc2c1cccc2 | 10.1038/s41467-023-40064-9 | |||
60854.0 | 4143 | None | 47 | Human | Binding | pAC50 | = | 7.0 | 7.0 | -114 | 53 | 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 | None | 47 | Human | Binding | pAC50 | = | 7.0 | 7.0 | -114 | 53 | 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 | None | 47 | Human | Binding | pAC50 | = | 7.0 | 7.0 | -114 | 53 | ChEMBL | 412 | 4 | 1 | 5 | 3.8 | O=C1Nc2c(C1)cc(c(c2)Cl)CCN1CCN(CC1)c1nsc2c1cccc2 | 10.1038/s41467-023-40064-9 | |||
5354 | 155746 | None | 16 | Human | Binding | pAC50 | = | 5.0 | 5.0 | - | 14 | ChEMBL | 337 | 12 | 2 | 3 | 5.6 | CCCCCCCCNC(C)C(O)c1ccc(SC(C)C)cc1 | 10.1038/s41467-023-40064-9 | |||
CHEMBL404849 | 155746 | None | 16 | Human | Binding | pAC50 | = | 5.0 | 5.0 | - | 14 | ChEMBL | 337 | 12 | 2 | 3 | 5.6 | CCCCCCCCNC(C)C(O)c1ccc(SC(C)C)cc1 | 10.1038/s41467-023-40064-9 | |||
82146 | 4532 | None | 68 | Human | Binding | pAC50 | = | 5.0 | 5.0 | - | 0 | ChEMBL | 348 | 3 | 1 | 1 | 6.1 | C=C(c1ccc(C(=O)O)cc1)c1cc2c(cc1C)C(C)(C)CCC2(C)C | 10.1038/s41467-023-40064-9 | |||
CHEMBL1023 | 4532 | None | 68 | Human | Binding | pAC50 | = | 5.0 | 5.0 | - | 0 | ChEMBL | 348 | 3 | 1 | 1 | 6.1 | C=C(c1ccc(C(=O)O)cc1)c1cc2c(cc1C)C(C)(C)CCC2(C)C | 10.1038/s41467-023-40064-9 | |||
27901 | 78236 | None | 18 | Human | Binding | pAC50 | = | 4.9 | 4.9 | - | 0 | ChEMBL | 286 | 4 | 0 | 3 | 3.8 | CN1CCC(N(Cc2cccs2)c2ccccc2)CC1 | 10.1038/s41467-023-40064-9 | |||
CHEMBL2105458 | 78236 | None | 18 | Human | Binding | pAC50 | = | 4.9 | 4.9 | - | 0 | ChEMBL | 286 | 4 | 0 | 3 | 3.8 | CN1CCC(N(Cc2cccs2)c2ccccc2)CC1 | 10.1038/s41467-023-40064-9 | |||
7019 | 168079 | None | 72 | Human | Binding | pAC50 | = | 4.9 | 4.9 | - | 0 | ChEMBL | 194 | 0 | 1 | 2 | 3.0 | Nc1c2ccccc2nc2ccccc12 | 10.1038/s41467-023-40064-9 | |||
CHEMBL1308088 | 168079 | None | 72 | Human | Binding | pAC50 | = | 4.9 | 4.9 | - | 0 | ChEMBL | 194 | 0 | 1 | 2 | 3.0 | Nc1c2ccccc2nc2ccccc12 | 10.1038/s41467-023-40064-9 | |||
CHEMBL43184 | 168079 | None | 72 | Human | Binding | pAC50 | = | 4.9 | 4.9 | - | 0 | ChEMBL | 194 | 0 | 1 | 2 | 3.0 | Nc1c2ccccc2nc2ccccc12 | 10.1038/s41467-023-40064-9 | |||
133 | 2496 | None | 39 | Human | Binding | pAC50 | = | 7.9 | 7.9 | -30 | 42 | ChEMBL | 403 | 4 | 1 | 4 | 4.1 | O=C(OCc1ccccc1)NC[C@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)cn3C | 10.1038/s41467-023-40064-9 | |||
1723 | 2496 | None | 39 | Human | Binding | pAC50 | = | 7.9 | 7.9 | -30 | 42 | ChEMBL | 403 | 4 | 1 | 4 | 4.1 | O=C(OCc1ccccc1)NC[C@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)cn3C | 10.1038/s41467-023-40064-9 | |||
28693 | 2496 | None | 39 | Human | Binding | pAC50 | = | 7.9 | 7.9 | -30 | 42 | ChEMBL | 403 | 4 | 1 | 4 | 4.1 | O=C(OCc1ccccc1)NC[C@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)cn3C | 10.1038/s41467-023-40064-9 | |||
CHEMBL19215 | 2496 | None | 39 | Human | Binding | pAC50 | = | 7.9 | 7.9 | -30 | 42 | ChEMBL | 403 | 4 | 1 | 4 | 4.1 | O=C(OCc1ccccc1)NC[C@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)cn3C | 10.1038/s41467-023-40064-9 | |||
DB13520 | 2496 | None | 39 | Human | Binding | pAC50 | = | 7.9 | 7.9 | -30 | 42 | ChEMBL | 403 | 4 | 1 | 4 | 4.1 | O=C(OCc1ccccc1)NC[C@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)cn3C | 10.1038/s41467-023-40064-9 | |||
213046 | 2385 | None | 44 | Human | Binding | pAC50 | = | 4.9 | 4.9 | - | 8 | ChEMBL | 492 | 5 | 0 | 6 | 4.3 | O=C1N(C[C@@H]2CCCC[C@H]2CN2CCN(CC2)c2nsc3c2cccc3)C(=O)[C@@H]2[C@H]1[C@H]1CC[C@@H]2C1 | 10.1038/s41467-023-40064-9 | |||
213046.0 | 2385 | None | 44 | Human | Binding | pAC50 | = | 4.9 | 4.9 | - | 8 | ChEMBL | 492 | 5 | 0 | 6 | 4.3 | O=C1N(C[C@@H]2CCCC[C@H]2CN2CCN(CC2)c2nsc3c2cccc3)C(=O)[C@@H]2[C@H]1[C@H]1CC[C@@H]2C1 | 10.1038/s41467-023-40064-9 | |||
4168 | 2385 | None | 44 | Human | Binding | pAC50 | = | 4.9 | 4.9 | - | 8 | ChEMBL | 492 | 5 | 0 | 6 | 4.3 | O=C1N(C[C@@H]2CCCC[C@H]2CN2CCN(CC2)c2nsc3c2cccc3)C(=O)[C@@H]2[C@H]1[C@H]1CC[C@@H]2C1 | 10.1038/s41467-023-40064-9 | |||
7461 | 2385 | None | 44 | Human | Binding | pAC50 | = | 4.9 | 4.9 | - | 8 | ChEMBL | 492 | 5 | 0 | 6 | 4.3 | O=C1N(C[C@@H]2CCCC[C@H]2CN2CCN(CC2)c2nsc3c2cccc3)C(=O)[C@@H]2[C@H]1[C@H]1CC[C@@H]2C1 | 10.1038/s41467-023-40064-9 | |||
CHEMBL1237021 | 2385 | None | 44 | Human | Binding | pAC50 | = | 4.9 | 4.9 | - | 8 | ChEMBL | 492 | 5 | 0 | 6 | 4.3 | O=C1N(C[C@@H]2CCCC[C@H]2CN2CCN(CC2)c2nsc3c2cccc3)C(=O)[C@@H]2[C@H]1[C@H]1CC[C@@H]2C1 | 10.1038/s41467-023-40064-9 | |||
DB08815 | 2385 | None | 44 | Human | Binding | pAC50 | = | 4.9 | 4.9 | - | 8 | ChEMBL | 492 | 5 | 0 | 6 | 4.3 | O=C1N(C[C@@H]2CCCC[C@H]2CN2CCN(CC2)c2nsc3c2cccc3)C(=O)[C@@H]2[C@H]1[C@H]1CC[C@@H]2C1 | 10.1038/s41467-023-40064-9 | |||
1577 | 3703 | None | 66 | Human | Binding | pAC50 | = | 4.9 | 4.9 | -549 | 20 | ChEMBL | 341 | 6 | 2 | 5 | 0.6 | CCN1CCC[C@@H]1CNC(=O)c1cc(ccc1OC)S(=O)(=O)N | 10.1038/s41467-023-40064-9 | |||
2537 | 3703 | None | 66 | Human | Binding | pAC50 | = | 4.9 | 4.9 | -549 | 20 | ChEMBL | 341 | 6 | 2 | 5 | 0.6 | CCN1CCC[C@@H]1CNC(=O)c1cc(ccc1OC)S(=O)(=O)N | 10.1038/s41467-023-40064-9 | |||
5355 | 3703 | None | 66 | Human | Binding | pAC50 | = | 4.9 | 4.9 | -549 | 20 | ChEMBL | 341 | 6 | 2 | 5 | 0.6 | CCN1CCC[C@@H]1CNC(=O)c1cc(ccc1OC)S(=O)(=O)N | 10.1038/s41467-023-40064-9 | |||
5501 | 3703 | None | 66 | Human | Binding | pAC50 | = | 4.9 | 4.9 | -549 | 20 | ChEMBL | 341 | 6 | 2 | 5 | 0.6 | CCN1CCC[C@@H]1CNC(=O)c1cc(ccc1OC)S(=O)(=O)N | 10.1038/s41467-023-40064-9 | |||
643497 | 3703 | None | 66 | Human | Binding | pAC50 | = | 4.9 | 4.9 | -549 | 20 | ChEMBL | 341 | 6 | 2 | 5 | 0.6 | CCN1CCC[C@@H]1CNC(=O)c1cc(ccc1OC)S(=O)(=O)N | 10.1038/s41467-023-40064-9 | |||
688272 | 3703 | None | 66 | Human | Binding | pAC50 | = | 4.9 | 4.9 | -549 | 20 | ChEMBL | 341 | 6 | 2 | 5 | 0.6 | CCN1CCC[C@@H]1CNC(=O)c1cc(ccc1OC)S(=O)(=O)N | 10.1038/s41467-023-40064-9 | |||
688272.0 | 3703 | None | 66 | Human | Binding | pAC50 | = | 4.9 | 4.9 | -549 | 20 | ChEMBL | 341 | 6 | 2 | 5 | 0.6 | CCN1CCC[C@@H]1CNC(=O)c1cc(ccc1OC)S(=O)(=O)N | 10.1038/s41467-023-40064-9 | |||
958 | 3703 | None | 66 | Human | Binding | pAC50 | = | 4.9 | 4.9 | -549 | 20 | ChEMBL | 341 | 6 | 2 | 5 | 0.6 | CCN1CCC[C@@H]1CNC(=O)c1cc(ccc1OC)S(=O)(=O)N | 10.1038/s41467-023-40064-9 | |||
960 | 3703 | None | 66 | Human | Binding | pAC50 | = | 4.9 | 4.9 | -549 | 20 | ChEMBL | 341 | 6 | 2 | 5 | 0.6 | CCN1CCC[C@@H]1CNC(=O)c1cc(ccc1OC)S(=O)(=O)N | 10.1038/s41467-023-40064-9 | |||
CHEMBL196677 | 3703 | None | 66 | Human | Binding | pAC50 | = | 4.9 | 4.9 | -549 | 20 | ChEMBL | 341 | 6 | 2 | 5 | 0.6 | CCN1CCC[C@@H]1CNC(=O)c1cc(ccc1OC)S(=O)(=O)N | 10.1038/s41467-023-40064-9 | |||
CHEMBL26 | 3703 | None | 66 | Human | Binding | pAC50 | = | 4.9 | 4.9 | -549 | 20 | ChEMBL | 341 | 6 | 2 | 5 | 0.6 | CCN1CCC[C@@H]1CNC(=O)c1cc(ccc1OC)S(=O)(=O)N | 10.1038/s41467-023-40064-9 | |||
CHEMBL267044 | 3703 | None | 66 | Human | Binding | pAC50 | = | 4.9 | 4.9 | -549 | 20 | ChEMBL | 341 | 6 | 2 | 5 | 0.6 | CCN1CCC[C@@H]1CNC(=O)c1cc(ccc1OC)S(=O)(=O)N | 10.1038/s41467-023-40064-9 | |||
DB00391 | 3703 | None | 66 | Human | Binding | pAC50 | = | 4.9 | 4.9 | -549 | 20 | ChEMBL | 341 | 6 | 2 | 5 | 0.6 | CCN1CCC[C@@H]1CNC(=O)c1cc(ccc1OC)S(=O)(=O)N | 10.1038/s41467-023-40064-9 | |||
DB16021 | 3703 | None | 66 | Human | Binding | pAC50 | = | 4.9 | 4.9 | -549 | 20 | ChEMBL | 341 | 6 | 2 | 5 | 0.6 | CCN1CCC[C@@H]1CNC(=O)c1cc(ccc1OC)S(=O)(=O)N | 10.1038/s41467-023-40064-9 | |||
3652 | 4097 | None | 50 | Human | Binding | pAC50 | = | 5.9 | 5.9 | - | 18 | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1038/s41467-023-40064-9 | |||
57 | 4097 | None | 50 | Human | Binding | pAC50 | = | 5.9 | 5.9 | - | 18 | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1038/s41467-023-40064-9 | |||
60809 | 4097 | None | 50 | Human | Binding | pAC50 | = | 5.9 | 5.9 | - | 18 | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1038/s41467-023-40064-9 | |||
60809.0 | 4097 | None | 50 | Human | Binding | pAC50 | = | 5.9 | 5.9 | - | 18 | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1038/s41467-023-40064-9 | |||
CHEMBL21536 | 4097 | None | 50 | Human | Binding | pAC50 | = | 5.9 | 5.9 | - | 18 | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1038/s41467-023-40064-9 | |||
DB15357 | 4097 | None | 50 | Human | Binding | pAC50 | = | 5.9 | 5.9 | - | 18 | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1038/s41467-023-40064-9 | |||
72287 | 61081 | None | 27 | Human | Binding | pAC50 | = | 6.9 | 6.9 | - | 2 | ChEMBL | 328 | 5 | 0 | 4 | 4.5 | COc1ccc2c(c1)N(C[C@H](C)CN(C)C)c1ccccc1S2 | 10.1038/s41467-023-40064-9 | |||
72287.0 | 61081 | None | 27 | Human | Binding | pAC50 | = | 6.9 | 6.9 | - | 2 | ChEMBL | 328 | 5 | 0 | 4 | 4.5 | COc1ccc2c(c1)N(C[C@H](C)CN(C)C)c1ccccc1S2 | 10.1038/s41467-023-40064-9 | |||
CHEMBL1764 | 61081 | None | 27 | Human | Binding | pAC50 | = | 6.9 | 6.9 | - | 2 | ChEMBL | 328 | 5 | 0 | 4 | 4.5 | COc1ccc2c(c1)N(C[C@H](C)CN(C)C)c1ccccc1S2 | 10.1038/s41467-023-40064-9 | |||
DB01403 | 61081 | None | 27 | Human | Binding | pAC50 | = | 6.9 | 6.9 | - | 2 | ChEMBL | 328 | 5 | 0 | 4 | 4.5 | COc1ccc2c(c1)N(C[C@H](C)CN(C)C)c1ccccc1S2 | 10.1038/s41467-023-40064-9 | |||
237 | 207323 | None | 37 | Human | Binding | pAC50 | = | 4.9 | 4.9 | - | 13 | ChEMBL | 399 | 9 | 1 | 4 | 6.0 | CCN(CC)CCCC(C)Nc1c2ccc(Cl)cc2nc2ccc(OC)cc12 | 10.1038/s41467-023-40064-9 | |||
CHEMBL546257 | 207323 | None | 37 | Human | Binding | pAC50 | = | 4.9 | 4.9 | - | 13 | ChEMBL | 399 | 9 | 1 | 4 | 6.0 | CCN(CC)CCCC(C)Nc1c2ccc(Cl)cc2nc2ccc(OC)cc12 | 10.1038/s41467-023-40064-9 | |||
CHEMBL554190 | 207323 | None | 37 | Human | Binding | pAC50 | = | 4.9 | 4.9 | - | 13 | ChEMBL | 399 | 9 | 1 | 4 | 6.0 | CCN(CC)CCCC(C)Nc1c2ccc(Cl)cc2nc2ccc(OC)cc12 | 10.1038/s41467-023-40064-9 | |||
CHEMBL7568 | 207323 | None | 37 | Human | Binding | pAC50 | = | 4.9 | 4.9 | - | 13 | ChEMBL | 399 | 9 | 1 | 4 | 6.0 | CCN(CC)CCCC(C)Nc1c2ccc(Cl)cc2nc2ccc(OC)cc12 | 10.1038/s41467-023-40064-9 | |||
1027 | 1576 | None | 51 | Human | Binding | pAC50 | = | 6.9 | 6.9 | - | 2 | ChEMBL | 249 | 0 | 2 | 1 | 2.7 | N=C1NCC2N1c1ccccc1Cc1c2cccc1 | 10.1038/s41467-023-40064-9 | |||
3241 | 1576 | None | 51 | Human | Binding | pAC50 | = | 6.9 | 6.9 | - | 2 | ChEMBL | 249 | 0 | 2 | 1 | 2.7 | N=C1NCC2N1c1ccccc1Cc1c2cccc1 | 10.1038/s41467-023-40064-9 | |||
3241.0 | 1576 | None | 51 | Human | Binding | pAC50 | = | 6.9 | 6.9 | - | 2 | ChEMBL | 249 | 0 | 2 | 1 | 2.7 | N=C1NCC2N1c1ccccc1Cc1c2cccc1 | 10.1038/s41467-023-40064-9 | |||
7176 | 1576 | None | 51 | Human | Binding | pAC50 | = | 6.9 | 6.9 | - | 2 | ChEMBL | 249 | 0 | 2 | 1 | 2.7 | N=C1NCC2N1c1ccccc1Cc1c2cccc1 | 10.1038/s41467-023-40064-9 | |||
CHEMBL1106 | 1576 | None | 51 | Human | Binding | pAC50 | = | 6.9 | 6.9 | - | 2 | ChEMBL | 249 | 0 | 2 | 1 | 2.7 | N=C1NCC2N1c1ccccc1Cc1c2cccc1 | 10.1038/s41467-023-40064-9 | |||
DB00751 | 1576 | None | 51 | Human | Binding | pAC50 | = | 6.9 | 6.9 | - | 2 | ChEMBL | 249 | 0 | 2 | 1 | 2.7 | N=C1NCC2N1c1ccccc1Cc1c2cccc1 | 10.1038/s41467-023-40064-9 | |||
3055 | 1433 | None | 30 | Human | Binding | pAC50 | = | 4.9 | 4.9 | - | 9 | ChEMBL | 309 | 6 | 1 | 2 | 4.2 | OC(c1ccccc1)(c1ccccc1)CCCN1CCCCC1 | 10.1038/s41467-023-40064-9 | |||
313 | 1433 | None | 30 | Human | Binding | pAC50 | = | 4.9 | 4.9 | - | 9 | ChEMBL | 309 | 6 | 1 | 2 | 4.2 | OC(c1ccccc1)(c1ccccc1)CCCN1CCCCC1 | 10.1038/s41467-023-40064-9 | |||
7163 | 1433 | None | 30 | Human | Binding | pAC50 | = | 4.9 | 4.9 | - | 9 | ChEMBL | 309 | 6 | 1 | 2 | 4.2 | OC(c1ccccc1)(c1ccccc1)CCCN1CCCCC1 | 10.1038/s41467-023-40064-9 | |||
CHEMBL936 | 1433 | None | 30 | Human | Binding | pAC50 | = | 4.9 | 4.9 | - | 9 | ChEMBL | 309 | 6 | 1 | 2 | 4.2 | OC(c1ccccc1)(c1ccccc1)CCCN1CCCCC1 | 10.1038/s41467-023-40064-9 | |||
DB01231 | 1433 | None | 30 | Human | Binding | pAC50 | = | 4.9 | 4.9 | - | 9 | ChEMBL | 309 | 6 | 1 | 2 | 4.2 | OC(c1ccccc1)(c1ccccc1)CCCN1CCCCC1 | 10.1038/s41467-023-40064-9 | |||
213 | 3853 | None | 34 | Human | Binding | pAC50 | = | 4.9 | 4.9 | -7 | 43 | ChEMBL | 371 | 5 | 0 | 6 | 2.4 | Clc1cccc(c1)N1CCN(CC1)CCCn1nc2n(c1=O)cccc2 | 10.1038/s41467-023-40064-9 | |||
2717 | 3853 | None | 34 | Human | Binding | pAC50 | = | 4.9 | 4.9 | -7 | 43 | ChEMBL | 371 | 5 | 0 | 6 | 2.4 | Clc1cccc(c1)N1CCN(CC1)CCCn1nc2n(c1=O)cccc2 | 10.1038/s41467-023-40064-9 | |||
5533 | 3853 | None | 34 | Human | Binding | pAC50 | = | 4.9 | 4.9 | -7 | 43 | ChEMBL | 371 | 5 | 0 | 6 | 2.4 | Clc1cccc(c1)N1CCN(CC1)CCCn1nc2n(c1=O)cccc2 | 10.1038/s41467-023-40064-9 | |||
5533.0 | 3853 | None | 34 | Human | Binding | pAC50 | = | 4.9 | 4.9 | -7 | 43 | ChEMBL | 371 | 5 | 0 | 6 | 2.4 | Clc1cccc(c1)N1CCN(CC1)CCCn1nc2n(c1=O)cccc2 | 10.1038/s41467-023-40064-9 | |||
CHEMBL621 | 3853 | None | 34 | Human | Binding | pAC50 | = | 4.9 | 4.9 | -7 | 43 | ChEMBL | 371 | 5 | 0 | 6 | 2.4 | Clc1cccc(c1)N1CCN(CC1)CCCn1nc2n(c1=O)cccc2 | 10.1038/s41467-023-40064-9 | |||
DB00656 | 3853 | None | 34 | Human | Binding | pAC50 | = | 4.9 | 4.9 | -7 | 43 | ChEMBL | 371 | 5 | 0 | 6 | 2.4 | Clc1cccc(c1)N1CCN(CC1)CCCn1nc2n(c1=O)cccc2 | 10.1038/s41467-023-40064-9 | |||
2337 | 3256 | None | 51 | Human | Binding | pAC50 | = | 5.9 | 5.9 | -53 | 62 | ChEMBL | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | 10.1038/s41467-023-40064-9 | |||
50 | 3256 | None | 51 | Human | Binding | pAC50 | = | 5.9 | 5.9 | -53 | 62 | ChEMBL | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | 10.1038/s41467-023-40064-9 | |||
5002 | 3256 | None | 51 | Human | Binding | pAC50 | = | 5.9 | 5.9 | -53 | 62 | ChEMBL | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | 10.1038/s41467-023-40064-9 | |||
5002.0 | 3256 | None | 51 | Human | Binding | pAC50 | = | 5.9 | 5.9 | -53 | 62 | ChEMBL | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | 10.1038/s41467-023-40064-9 | |||
CHEMBL716 | 3256 | None | 51 | Human | Binding | pAC50 | = | 5.9 | 5.9 | -53 | 62 | ChEMBL | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | 10.1038/s41467-023-40064-9 | |||
DB01224 | 3256 | None | 51 | Human | Binding | pAC50 | = | 5.9 | 5.9 | -53 | 62 | ChEMBL | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | 10.1038/s41467-023-40064-9 | |||
2406 | 100458 | None | 56 | Human | Binding | pAC50 | = | 4.9 | 4.9 | - | 12 | ChEMBL | 354 | 2 | 2 | 3 | 5.9 | Oc1c(Cl)cc(Cl)cc1Sc1cc(Cl)cc(Cl)c1O | 10.1038/s41467-023-40064-9 | |||
CHEMBL290106 | 100458 | None | 56 | Human | Binding | pAC50 | = | 4.9 | 4.9 | - | 12 | ChEMBL | 354 | 2 | 2 | 3 | 5.9 | Oc1c(Cl)cc(Cl)cc1Sc1cc(Cl)cc(Cl)c1O | 10.1038/s41467-023-40064-9 | |||
214 | 3860 | None | 43 | Human | Binding | pAC50 | = | 6.9 | 6.9 | - | 29 | ChEMBL | 407 | 4 | 0 | 4 | 4.9 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | 10.1038/s41467-023-40064-9 | |||
2740 | 3860 | None | 43 | Human | Binding | pAC50 | = | 6.9 | 6.9 | - | 29 | ChEMBL | 407 | 4 | 0 | 4 | 4.9 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | 10.1038/s41467-023-40064-9 | |||
5566 | 3860 | None | 43 | Human | Binding | pAC50 | = | 6.9 | 6.9 | - | 29 | ChEMBL | 407 | 4 | 0 | 4 | 4.9 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | 10.1038/s41467-023-40064-9 | |||
5566.0 | 3860 | None | 43 | Human | Binding | pAC50 | = | 6.9 | 6.9 | - | 29 | ChEMBL | 407 | 4 | 0 | 4 | 4.9 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | 10.1038/s41467-023-40064-9 | |||
66064 | 3860 | None | 43 | Human | Binding | pAC50 | = | 6.9 | 6.9 | - | 29 | ChEMBL | 407 | 4 | 0 | 4 | 4.9 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | 10.1038/s41467-023-40064-9 | |||
CHEMBL422 | 3860 | None | 43 | Human | Binding | pAC50 | = | 6.9 | 6.9 | - | 29 | ChEMBL | 407 | 4 | 0 | 4 | 4.9 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | 10.1038/s41467-023-40064-9 | |||
DB00831 | 3860 | None | 43 | Human | Binding | pAC50 | = | 6.9 | 6.9 | - | 29 | ChEMBL | 407 | 4 | 0 | 4 | 4.9 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | 10.1038/s41467-023-40064-9 | |||
9417 | 133581 | None | 40 | Human | Binding | pAC50 | = | 5.9 | 5.9 | - | 0 | ChEMBL | 363 | 6 | 1 | 4 | 3.3 | OCCN1CCN(CCCN2c3ccccc3C=Cc3ccccc32)CC1 | 10.1038/s41467-023-40064-9 | |||
CHEMBL1524185 | 133581 | None | 40 | Human | Binding | pAC50 | = | 5.9 | 5.9 | - | 0 | ChEMBL | 363 | 6 | 1 | 4 | 3.3 | OCCN1CCN(CCCN2c3ccccc3C=Cc3ccccc32)CC1 | 10.1038/s41467-023-40064-9 | |||
CHEMBL370753 | 133581 | None | 40 | Human | Binding | pAC50 | = | 5.9 | 5.9 | - | 0 | ChEMBL | 363 | 6 | 1 | 4 | 3.3 | OCCN1CCN(CCCN2c3ccccc3C=Cc3ccccc32)CC1 | 10.1038/s41467-023-40064-9 | |||
47979 | 78239 | None | 45 | Human | Binding | pAC50 | = | 7.9 | 7.9 | - | 0 | ChEMBL | 383 | 8 | 2 | 6 | 0.7 | C=CCN1CCCC1CNC(=O)c1cc(S(N)(=O)=O)cc(OC)c1OC | 10.1038/s41467-023-40064-9 | |||
CHEMBL2105581 | 78239 | None | 45 | Human | Binding | pAC50 | = | 7.9 | 7.9 | - | 0 | ChEMBL | 383 | 8 | 2 | 6 | 0.7 | C=CCN1CCCC1CNC(=O)c1cc(S(N)(=O)=O)cc(OC)c1OC | 10.1038/s41467-023-40064-9 | |||
9429 | 204590 | None | 44 | Human | Binding | pAC50 | = | 6.9 | 6.9 | - | 5 | ChEMBL | 446 | 6 | 0 | 6 | 3.2 | CN1CCN(CCCN2c3ccccc3Sc3ccc(S(=O)(=O)N(C)C)cc32)CC1 | 10.1038/s41467-023-40064-9 | |||
9429.0 | 204590 | None | 44 | Human | Binding | pAC50 | = | 6.9 | 6.9 | - | 5 | ChEMBL | 446 | 6 | 0 | 6 | 3.2 | CN1CCN(CCCN2c3ccccc3Sc3ccc(S(=O)(=O)N(C)C)cc32)CC1 | 10.1038/s41467-023-40064-9 | |||
CHEMBL609109 | 204590 | None | 44 | Human | Binding | pAC50 | = | 6.9 | 6.9 | - | 5 | ChEMBL | 446 | 6 | 0 | 6 | 3.2 | CN1CCN(CCCN2c3ccccc3Sc3ccc(S(=O)(=O)N(C)C)cc32)CC1 | 10.1038/s41467-023-40064-9 | |||
DB01622 | 204590 | None | 44 | Human | Binding | pAC50 | = | 6.9 | 6.9 | - | 5 | ChEMBL | 446 | 6 | 0 | 6 | 3.2 | CN1CCN(CCCN2c3ccccc3Sc3ccc(S(=O)(=O)N(C)C)cc32)CC1 | 10.1038/s41467-023-40064-9 | |||
213046 | 2385 | None | 44 | Human | Binding | pAC50 | = | 6.9 | 6.9 | - | 8 | ChEMBL | 492 | 5 | 0 | 6 | 4.3 | O=C1N(C[C@@H]2CCCC[C@H]2CN2CCN(CC2)c2nsc3c2cccc3)C(=O)[C@@H]2[C@H]1[C@H]1CC[C@@H]2C1 | 10.1038/s41467-023-40064-9 | |||
213046.0 | 2385 | None | 44 | Human | Binding | pAC50 | = | 6.9 | 6.9 | - | 8 | ChEMBL | 492 | 5 | 0 | 6 | 4.3 | O=C1N(C[C@@H]2CCCC[C@H]2CN2CCN(CC2)c2nsc3c2cccc3)C(=O)[C@@H]2[C@H]1[C@H]1CC[C@@H]2C1 | 10.1038/s41467-023-40064-9 | |||
4168 | 2385 | None | 44 | Human | Binding | pAC50 | = | 6.9 | 6.9 | - | 8 | ChEMBL | 492 | 5 | 0 | 6 | 4.3 | O=C1N(C[C@@H]2CCCC[C@H]2CN2CCN(CC2)c2nsc3c2cccc3)C(=O)[C@@H]2[C@H]1[C@H]1CC[C@@H]2C1 | 10.1038/s41467-023-40064-9 | |||
7461 | 2385 | None | 44 | Human | Binding | pAC50 | = | 6.9 | 6.9 | - | 8 | ChEMBL | 492 | 5 | 0 | 6 | 4.3 | O=C1N(C[C@@H]2CCCC[C@H]2CN2CCN(CC2)c2nsc3c2cccc3)C(=O)[C@@H]2[C@H]1[C@H]1CC[C@@H]2C1 | 10.1038/s41467-023-40064-9 | |||
CHEMBL1237021 | 2385 | None | 44 | Human | Binding | pAC50 | = | 6.9 | 6.9 | - | 8 | ChEMBL | 492 | 5 | 0 | 6 | 4.3 | O=C1N(C[C@@H]2CCCC[C@H]2CN2CCN(CC2)c2nsc3c2cccc3)C(=O)[C@@H]2[C@H]1[C@H]1CC[C@@H]2C1 | 10.1038/s41467-023-40064-9 | |||
DB08815 | 2385 | None | 44 | Human | Binding | pAC50 | = | 6.9 | 6.9 | - | 8 | ChEMBL | 492 | 5 | 0 | 6 | 4.3 | O=C1N(C[C@@H]2CCCC[C@H]2CN2CCN(CC2)c2nsc3c2cccc3)C(=O)[C@@H]2[C@H]1[C@H]1CC[C@@H]2C1 | 10.1038/s41467-023-40064-9 | |||
60860 | 208097 | None | 26 | Human | Binding | pAC50 | = | 4.9 | 4.9 | - | 0 | ChEMBL | 275 | 2 | 3 | 1 | 1.3 | N=C(N)NCc1cccc(I)c1 | 10.1038/s41467-023-40064-9 | |||
CHEMBL1615777 | 208097 | None | 26 | Human | Binding | pAC50 | = | 4.9 | 4.9 | - | 0 | ChEMBL | 275 | 2 | 3 | 1 | 1.3 | N=C(N)NCc1cccc(I)c1 | 10.1038/s41467-023-40064-9 | |||
CHEMBL818 | 208097 | None | 26 | Human | Binding | pAC50 | = | 4.9 | 4.9 | - | 0 | ChEMBL | 275 | 2 | 3 | 1 | 1.3 | N=C(N)NCc1cccc(I)c1 | 10.1038/s41467-023-40064-9 | |||
2749 | 344 | None | 32 | Human | Binding | pAC50 | = | 6.9 | 6.9 | - | 2 | ChEMBL | 298 | 4 | 0 | 3 | 4.5 | CN(CC(CN1c2ccccc2Sc2c1cccc2)C)C | 10.1038/s41467-023-40064-9 | |||
5574 | 344 | None | 32 | Human | Binding | pAC50 | = | 6.9 | 6.9 | - | 2 | ChEMBL | 298 | 4 | 0 | 3 | 4.5 | CN(CC(CN1c2ccccc2Sc2c1cccc2)C)C | 10.1038/s41467-023-40064-9 | |||
5574.0 | 344 | None | 32 | Human | Binding | pAC50 | = | 6.9 | 6.9 | - | 2 | ChEMBL | 298 | 4 | 0 | 3 | 4.5 | CN(CC(CN1c2ccccc2Sc2c1cccc2)C)C | 10.1038/s41467-023-40064-9 | |||
7237 | 344 | None | 32 | Human | Binding | pAC50 | = | 6.9 | 6.9 | - | 2 | ChEMBL | 298 | 4 | 0 | 3 | 4.5 | CN(CC(CN1c2ccccc2Sc2c1cccc2)C)C | 10.1038/s41467-023-40064-9 | |||
CHEMBL829 | 344 | None | 32 | Human | Binding | pAC50 | = | 6.9 | 6.9 | - | 2 | ChEMBL | 298 | 4 | 0 | 3 | 4.5 | CN(CC(CN1c2ccccc2Sc2c1cccc2)C)C | 10.1038/s41467-023-40064-9 | |||
DB01246 | 344 | None | 32 | Human | Binding | pAC50 | = | 6.9 | 6.9 | - | 2 | ChEMBL | 298 | 4 | 0 | 3 | 4.5 | CN(CC(CN1c2ccccc2Sc2c1cccc2)C)C | 10.1038/s41467-023-40064-9 | |||
26987 | 949 | None | 27 | Human | Binding | pAC50 | = | 5.9 | 5.9 | -245 | 21 | ChEMBL | 343 | 6 | 0 | 2 | 5.1 | Clc1ccc(cc1)[C@@](c1ccccc1)(OCC[C@H]1CCCN1C)C | 10.1038/s41467-023-40064-9 | |||
26987.0 | 949 | None | 27 | Human | Binding | pAC50 | = | 5.9 | 5.9 | -245 | 21 | ChEMBL | 343 | 6 | 0 | 2 | 5.1 | Clc1ccc(cc1)[C@@](c1ccccc1)(OCC[C@H]1CCCN1C)C | 10.1038/s41467-023-40064-9 | |||
6063 | 949 | None | 27 | Human | Binding | pAC50 | = | 5.9 | 5.9 | -245 | 21 | ChEMBL | 343 | 6 | 0 | 2 | 5.1 | Clc1ccc(cc1)[C@@](c1ccccc1)(OCC[C@H]1CCCN1C)C | 10.1038/s41467-023-40064-9 | |||
671 | 949 | None | 27 | Human | Binding | pAC50 | = | 5.9 | 5.9 | -245 | 21 | ChEMBL | 343 | 6 | 0 | 2 | 5.1 | Clc1ccc(cc1)[C@@](c1ccccc1)(OCC[C@H]1CCCN1C)C | 10.1038/s41467-023-40064-9 | |||
CHEMBL1626 | 949 | None | 27 | Human | Binding | pAC50 | = | 5.9 | 5.9 | -245 | 21 | ChEMBL | 343 | 6 | 0 | 2 | 5.1 | Clc1ccc(cc1)[C@@](c1ccccc1)(OCC[C@H]1CCCN1C)C | 10.1038/s41467-023-40064-9 | |||
DB00283 | 949 | None | 27 | Human | Binding | pAC50 | = | 5.9 | 5.9 | -245 | 21 | ChEMBL | 343 | 6 | 0 | 2 | 5.1 | Clc1ccc(cc1)[C@@](c1ccccc1)(OCC[C@H]1CCCN1C)C | 10.1038/s41467-023-40064-9 | |||
3166 | 169523 | None | 18 | Human | Binding | pAC50 | = | 4.9 | 4.9 | - | 0 | ChEMBL | 317 | 8 | 0 | 3 | 4.2 | CCN(CC)CCOC(=O)C(c1ccccc1)C1CCCCC1 | 10.1038/s41467-023-40064-9 | |||
CHEMBL442444 | 169523 | None | 18 | Human | Binding | pAC50 | = | 4.9 | 4.9 | - | 0 | ChEMBL | 317 | 8 | 0 | 3 | 4.2 | CCN(CC)CCOC(=O)C(c1ccccc1)C1CCCCC1 | 10.1038/s41467-023-40064-9 | |||
135398745 | 2914 | None | 65 | Human | Binding | pAC50 | = | 6.9 | 6.9 | -26 | 65 | ChEMBL | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | 10.1038/s41467-023-40064-9 | |||
135398745.0 | 2914 | None | 65 | Human | Binding | pAC50 | = | 6.9 | 6.9 | -26 | 65 | ChEMBL | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | 10.1038/s41467-023-40064-9 | |||
47 | 2914 | None | 65 | Human | Binding | pAC50 | = | 6.9 | 6.9 | -26 | 65 | ChEMBL | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | 10.1038/s41467-023-40064-9 | |||
CHEMBL715 | 2914 | None | 65 | Human | Binding | pAC50 | = | 6.9 | 6.9 | -26 | 65 | ChEMBL | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | 10.1038/s41467-023-40064-9 | |||
DB00334 | 2914 | None | 65 | Human | Binding | pAC50 | = | 6.9 | 6.9 | -26 | 65 | ChEMBL | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | 10.1038/s41467-023-40064-9 | |||
2398 | 954 | None | 43 | Human | Binding | pAC50 | = | 6.8 | 6.8 | -11 | 28 | ChEMBL | 314 | 4 | 0 | 2 | 4.5 | CN(CCCN1c2ccccc2CCc2c1cc(Cl)cc2)C | 10.1038/s41467-023-40064-9 | |||
2801 | 954 | None | 43 | Human | Binding | pAC50 | = | 6.8 | 6.8 | -11 | 28 | ChEMBL | 314 | 4 | 0 | 2 | 4.5 | CN(CCCN1c2ccccc2CCc2c1cc(Cl)cc2)C | 10.1038/s41467-023-40064-9 | |||
2801.0 | 954 | None | 43 | Human | Binding | pAC50 | = | 6.8 | 6.8 | -11 | 28 | ChEMBL | 314 | 4 | 0 | 2 | 4.5 | CN(CCCN1c2ccccc2CCc2c1cc(Cl)cc2)C | 10.1038/s41467-023-40064-9 | |||
701 | 954 | None | 43 | Human | Binding | pAC50 | = | 6.8 | 6.8 | -11 | 28 | ChEMBL | 314 | 4 | 0 | 2 | 4.5 | CN(CCCN1c2ccccc2CCc2c1cc(Cl)cc2)C | 10.1038/s41467-023-40064-9 | |||
CHEMBL415 | 954 | None | 43 | Human | Binding | pAC50 | = | 6.8 | 6.8 | -11 | 28 | ChEMBL | 314 | 4 | 0 | 2 | 4.5 | CN(CCCN1c2ccccc2CCc2c1cc(Cl)cc2)C | 10.1038/s41467-023-40064-9 | |||
DB01242 | 954 | None | 43 | Human | Binding | pAC50 | = | 6.8 | 6.8 | -11 | 28 | ChEMBL | 314 | 4 | 0 | 2 | 4.5 | CN(CCCN1c2ccccc2CCc2c1cc(Cl)cc2)C | 10.1038/s41467-023-40064-9 | |||
9419 | 35931 | None | 28 | Human | Binding | pAC50 | = | 4.8 | 4.8 | - | 6 | ChEMBL | 295 | 3 | 0 | 3 | 3.0 | CN(C)CCN1C(=O)c2ccccc2N(C)c2ccccc21 | 10.1038/s41467-023-40064-9 | |||
9419.0 | 35931 | None | 28 | Human | Binding | pAC50 | = | 4.8 | 4.8 | - | 6 | ChEMBL | 295 | 3 | 0 | 3 | 3.0 | CN(C)CCN1C(=O)c2ccccc2N(C)c2ccccc21 | 10.1038/s41467-023-40064-9 | |||
CHEMBL1442422 | 35931 | None | 28 | Human | Binding | pAC50 | = | 4.8 | 4.8 | - | 6 | ChEMBL | 295 | 3 | 0 | 3 | 3.0 | CN(C)CCN1C(=O)c2ccccc2N(C)c2ccccc21 | 10.1038/s41467-023-40064-9 | |||
DB13225 | 35931 | None | 28 | Human | Binding | pAC50 | = | 4.8 | 4.8 | - | 6 | ChEMBL | 295 | 3 | 0 | 3 | 3.0 | CN(C)CCN1C(=O)c2ccccc2N(C)c2ccccc21 | 10.1038/s41467-023-40064-9 | |||
6726 | 1280 | None | 38 | Human | Binding | pAC50 | = | 4.8 | 4.8 | - | 13 | ChEMBL | 266 | 3 | 0 | 2 | 3.0 | CN1CCN(CC1)C(c1ccccc1)c1ccccc1 | 10.1038/s41467-023-40064-9 | |||
6726.0 | 1280 | None | 38 | Human | Binding | pAC50 | = | 4.8 | 4.8 | - | 13 | ChEMBL | 266 | 3 | 0 | 2 | 3.0 | CN1CCN(CC1)C(c1ccccc1)c1ccccc1 | 10.1038/s41467-023-40064-9 | |||
7151 | 1280 | None | 38 | Human | Binding | pAC50 | = | 4.8 | 4.8 | - | 13 | ChEMBL | 266 | 3 | 0 | 2 | 3.0 | CN1CCN(CC1)C(c1ccccc1)c1ccccc1 | 10.1038/s41467-023-40064-9 | |||
749 | 1280 | None | 38 | Human | Binding | pAC50 | = | 4.8 | 4.8 | - | 13 | ChEMBL | 266 | 3 | 0 | 2 | 3.0 | CN1CCN(CC1)C(c1ccccc1)c1ccccc1 | 10.1038/s41467-023-40064-9 | |||
CHEMBL648 | 1280 | None | 38 | Human | Binding | pAC50 | = | 4.8 | 4.8 | - | 13 | ChEMBL | 266 | 3 | 0 | 2 | 3.0 | CN1CCN(CC1)C(c1ccccc1)c1ccccc1 | 10.1038/s41467-023-40064-9 | |||
DB01176 | 1280 | None | 38 | Human | Binding | pAC50 | = | 4.8 | 4.8 | - | 13 | ChEMBL | 266 | 3 | 0 | 2 | 3.0 | CN1CCN(CC1)C(c1ccccc1)c1ccccc1 | 10.1038/s41467-023-40064-9 | |||
16960 | 14493 | None | 19 | Human | Binding | pAC50 | = | 4.8 | 4.8 | - | 0 | ChEMBL | 318 | 5 | 0 | 2 | 3.9 | CN(C)CC[C@@H](c1ccc(Br)cc1)c1ccccn1 | 10.1038/s41467-023-40064-9 | |||
16960.0 | 14493 | None | 19 | Human | Binding | pAC50 | = | 4.8 | 4.8 | - | 0 | ChEMBL | 318 | 5 | 0 | 2 | 3.9 | CN(C)CC[C@@H](c1ccc(Br)cc1)c1ccccn1 | 10.1038/s41467-023-40064-9 | |||
CHEMBL1201287 | 14493 | None | 19 | Human | Binding | pAC50 | = | 4.8 | 4.8 | - | 0 | ChEMBL | 318 | 5 | 0 | 2 | 3.9 | CN(C)CC[C@@H](c1ccc(Br)cc1)c1ccccn1 | 10.1038/s41467-023-40064-9 | |||
DB00405 | 14493 | None | 19 | Human | Binding | pAC50 | = | 4.8 | 4.8 | - | 0 | ChEMBL | 318 | 5 | 0 | 2 | 3.9 | CN(C)CC[C@@H](c1ccc(Br)cc1)c1ccccn1 | 10.1038/s41467-023-40064-9 | |||
5584 | 205669 | None | 29 | Human | Binding | pAC50 | = | 6.8 | 6.8 | - | 1 | ChEMBL | 294 | 4 | 0 | 2 | 4.1 | CC(CN(C)C)CN1c2ccccc2CCc2ccccc21 | 10.1038/s41467-023-40064-9 | |||
5584.0 | 205669 | None | 29 | Human | Binding | pAC50 | = | 6.8 | 6.8 | - | 1 | ChEMBL | 294 | 4 | 0 | 2 | 4.1 | CC(CN(C)C)CN1c2ccccc2CCc2ccccc21 | 10.1038/s41467-023-40064-9 | |||
CHEMBL644 | 205669 | None | 29 | Human | Binding | pAC50 | = | 6.8 | 6.8 | - | 1 | ChEMBL | 294 | 4 | 0 | 2 | 4.1 | CC(CN(C)C)CN1c2ccccc2CCc2ccccc21 | 10.1038/s41467-023-40064-9 | |||
DB00726 | 205669 | None | 29 | Human | Binding | pAC50 | = | 6.8 | 6.8 | - | 1 | ChEMBL | 294 | 4 | 0 | 2 | 4.1 | CC(CN(C)C)CN1c2ccccc2CCc2ccccc21 | 10.1038/s41467-023-40064-9 | |||
9853053 | 120583 | None | 54 | Human | Binding | pAC50 | = | 5.8 | 5.8 | - | 0 | ChEMBL | 693 | 10 | 2 | 3 | 8.4 | O=C(NC1CCN(CCCCC2(C(=O)NCC(F)(F)F)c3ccccc3-c3ccccc32)CC1)c1ccccc1-c1ccc(C(F)(F)F)cc1 | 10.1038/s41467-023-40064-9 | |||
CHEMBL354541 | 120583 | None | 54 | Human | Binding | pAC50 | = | 5.8 | 5.8 | - | 0 | ChEMBL | 693 | 10 | 2 | 3 | 8.4 | O=C(NC1CCN(CCCCC2(C(=O)NCC(F)(F)F)c3ccccc3-c3ccccc32)CC1)c1ccccc1-c1ccc(C(F)(F)F)cc1 | 10.1038/s41467-023-40064-9 | |||
1765 | 3817 | None | 60 | Human | Binding | pAC50 | = | 4.8 | 4.8 | - | 1 | ChEMBL | 522 | 10 | 4 | 11 | 2.0 | CCCSc1nc(N[C@@H]2C[C@H]2c2ccc(c(c2)F)F)c2c(n1)n(nn2)[C@@H]1C[C@@H]([C@H]([C@H]1O)O)OCCO | 10.1038/s41467-023-40064-9 | |||
4184 | 3817 | None | 60 | Human | Binding | pAC50 | = | 4.8 | 4.8 | - | 1 | ChEMBL | 522 | 10 | 4 | 11 | 2.0 | CCCSc1nc(N[C@@H]2C[C@H]2c2ccc(c(c2)F)F)c2c(n1)n(nn2)[C@@H]1C[C@@H]([C@H]([C@H]1O)O)OCCO | 10.1038/s41467-023-40064-9 | |||
9871419 | 3817 | None | 60 | Human | Binding | pAC50 | = | 4.8 | 4.8 | - | 1 | ChEMBL | 522 | 10 | 4 | 11 | 2.0 | CCCSc1nc(N[C@@H]2C[C@H]2c2ccc(c(c2)F)F)c2c(n1)n(nn2)[C@@H]1C[C@@H]([C@H]([C@H]1O)O)OCCO | 10.1038/s41467-023-40064-9 | |||
9871419.0 | 3817 | None | 60 | Human | Binding | pAC50 | = | 4.8 | 4.8 | - | 1 | ChEMBL | 522 | 10 | 4 | 11 | 2.0 | CCCSc1nc(N[C@@H]2C[C@H]2c2ccc(c(c2)F)F)c2c(n1)n(nn2)[C@@H]1C[C@@H]([C@H]([C@H]1O)O)OCCO | 10.1038/s41467-023-40064-9 | |||
CHEMBL398435 | 3817 | None | 60 | Human | Binding | pAC50 | = | 4.8 | 4.8 | - | 1 | ChEMBL | 522 | 10 | 4 | 11 | 2.0 | CCCSc1nc(N[C@@H]2C[C@H]2c2ccc(c(c2)F)F)c2c(n1)n(nn2)[C@@H]1C[C@@H]([C@H]([C@H]1O)O)OCCO | 10.1038/s41467-023-40064-9 | |||
DB08816 | 3817 | None | 60 | Human | Binding | pAC50 | = | 4.8 | 4.8 | - | 1 | ChEMBL | 522 | 10 | 4 | 11 | 2.0 | CCCSc1nc(N[C@@H]2C[C@H]2c2ccc(c(c2)F)F)c2c(n1)n(nn2)[C@@H]1C[C@@H]([C@H]([C@H]1O)O)OCCO | 10.1038/s41467-023-40064-9 | |||
54454 | 5260 | None | 48 | Human | Binding | pAC50 | = | 4.8 | 4.8 | - | 0 | ChEMBL | 418 | 6 | 1 | 5 | 4.6 | CCC(C)(C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@H]21 | 10.1038/s41467-023-40064-9 | |||
CHEMBL1064 | 5260 | None | 48 | Human | Binding | pAC50 | = | 4.8 | 4.8 | - | 0 | ChEMBL | 418 | 6 | 1 | 5 | 4.6 | CCC(C)(C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@H]21 | 10.1038/s41467-023-40064-9 | |||
12488 | 1657 | None | 39 | Human | Binding | pAC50 | = | 5.8 | 5.8 | -19 | 23 | ChEMBL | 404 | 6 | 0 | 2 | 5.4 | C1CN(CCN1C/C=C/C2=CC=CC=C2)C(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F | 10.1038/s41467-023-40064-9 | |||
941361 | 1657 | None | 39 | Human | Binding | pAC50 | = | 5.8 | 5.8 | -19 | 23 | ChEMBL | 404 | 6 | 0 | 2 | 5.4 | C1CN(CCN1C/C=C/C2=CC=CC=C2)C(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F | 10.1038/s41467-023-40064-9 | |||
CHEMBL30008 | 1657 | None | 39 | Human | Binding | pAC50 | = | 5.8 | 5.8 | -19 | 23 | ChEMBL | 404 | 6 | 0 | 2 | 5.4 | C1CN(CCN1C/C=C/C2=CC=CC=C2)C(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F | 10.1038/s41467-023-40064-9 | |||
DB04841 | 1657 | None | 39 | Human | Binding | pAC50 | = | 5.8 | 5.8 | -19 | 23 | ChEMBL | 404 | 6 | 0 | 2 | 5.4 | C1CN(CCN1C/C=C/C2=CC=CC=C2)C(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F | 10.1038/s41467-023-40064-9 | |||
68802 | 110091 | None | 27 | Human | Binding | pAC50 | = | 4.8 | 4.8 | - | 0 | ChEMBL | 226 | 0 | 1 | 2 | 2.9 | Cc1ccc2c(c1)c1c3n2CCNC3CCC1 | 10.1038/s41467-023-40064-9 | |||
CHEMBL32350 | 110091 | None | 27 | Human | Binding | pAC50 | = | 4.8 | 4.8 | - | 0 | ChEMBL | 226 | 0 | 1 | 2 | 2.9 | Cc1ccc2c(c1)c1c3n2CCNC3CCC1 | 10.1038/s41467-023-40064-9 | |||
49843517 | 78325 | None | 41 | Human | Binding | pAC50 | = | 5.8 | 5.8 | - | 0 | ChEMBL | 590 | 13 | 2 | 6 | 8.5 | CCCCCCO[C@@H](C)c1cccc(-c2csc(NC(=O)c3cc(Cl)c(/C=C(\C)C(=O)O)c(Cl)c3)n2)c1OC | 10.1038/s41467-023-40064-9 | |||
CHEMBL2107831 | 78325 | None | 41 | Human | Binding | pAC50 | = | 5.8 | 5.8 | - | 0 | ChEMBL | 590 | 13 | 2 | 6 | 8.5 | CCCCCCO[C@@H](C)c1cccc(-c2csc(NC(=O)c3cc(Cl)c(/C=C(\C)C(=O)O)c(Cl)c3)n2)c1OC | 10.1038/s41467-023-40064-9 | |||
3606 | 205946 | None | 40 | Human | Binding | pAC50 | = | 4.8 | 4.8 | - | 0 | ChEMBL | 270 | 5 | 2 | 2 | 4.8 | CCC(c1ccc(O)cc1)C(CC)c1ccc(O)cc1 | 10.1038/s41467-023-40064-9 | |||
CHEMBL6615 | 205946 | None | 40 | Human | Binding | pAC50 | = | 4.8 | 4.8 | - | 0 | ChEMBL | 270 | 5 | 2 | 2 | 4.8 | CCC(c1ccc(O)cc1)C(CC)c1ccc(O)cc1 | 10.1038/s41467-023-40064-9 | |||
135 | 2532 | None | 33 | Human | Binding | pAC50 | = | 6.8 | 6.8 | -91 | 57 | ChEMBL | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | 10.1038/s41467-023-40064-9 | |||
1796 | 2532 | None | 33 | Human | Binding | pAC50 | = | 6.8 | 6.8 | -91 | 57 | ChEMBL | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | 10.1038/s41467-023-40064-9 | |||
4184 | 2532 | None | 33 | Human | Binding | pAC50 | = | 6.8 | 6.8 | -91 | 57 | ChEMBL | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | 10.1038/s41467-023-40064-9 | |||
4184.0 | 2532 | None | 33 | Human | Binding | pAC50 | = | 6.8 | 6.8 | -91 | 57 | ChEMBL | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | 10.1038/s41467-023-40064-9 | |||
CHEMBL6437 | 2532 | None | 33 | Human | Binding | pAC50 | = | 6.8 | 6.8 | -91 | 57 | ChEMBL | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | 10.1038/s41467-023-40064-9 | |||
DB06148 | 2532 | None | 33 | Human | Binding | pAC50 | = | 6.8 | 6.8 | -91 | 57 | ChEMBL | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | 10.1038/s41467-023-40064-9 | |||
10219 | 188904 | None | 34 | Human | Binding | pAC50 | = | 4.8 | 4.8 | - | 5 | ChEMBL | 480 | 7 | 1 | 6 | 4.9 | CC[C@H]1CN2CCc3cc(OC)c(OC)cc3[C@@H]2C[C@@H]1C[C@H]1NCCc2cc(OC)c(OC)cc21 | 10.1038/s41467-023-40064-9 | |||
CHEMBL493439 | 188904 | None | 34 | Human | Binding | pAC50 | = | 4.8 | 4.8 | - | 5 | ChEMBL | 480 | 7 | 1 | 6 | 4.9 | CC[C@H]1CN2CCc3cc(OC)c(OC)cc3[C@@H]2C[C@@H]1C[C@H]1NCCc2cc(OC)c(OC)cc21 | 10.1038/s41467-023-40064-9 | |||
CHEMBL50588 | 188904 | None | 34 | Human | Binding | pAC50 | = | 4.8 | 4.8 | - | 5 | ChEMBL | 480 | 7 | 1 | 6 | 4.9 | CC[C@H]1CN2CCc3cc(OC)c(OC)cc3[C@@H]2C[C@@H]1C[C@H]1NCCc2cc(OC)c(OC)cc21 | 10.1038/s41467-023-40064-9 | |||
134 | 2514 | None | 19 | Human | Binding | pAC50 | = | 5.8 | 5.8 | -263 | 67 | 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 | None | 19 | Human | Binding | pAC50 | = | 5.8 | 5.8 | -263 | 67 | 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 | None | 19 | Human | Binding | pAC50 | = | 5.8 | 5.8 | -263 | 67 | 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 | |||
9681.0 | 2514 | None | 19 | Human | Binding | pAC50 | = | 5.8 | 5.8 | -263 | 67 | 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 | None | 19 | Human | Binding | pAC50 | = | 5.8 | 5.8 | -263 | 67 | 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 | None | 19 | Human | Binding | pAC50 | = | 5.8 | 5.8 | -263 | 67 | 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 | |||
1890 | 2759 | None | 31 | Human | Binding | pAC50 | = | 5.8 | 5.8 | -89 | 26 | ChEMBL | 469 | 10 | 0 | 7 | 3.6 | CCc1nn(c(=O)n1CCOc1ccccc1)CCCN1CCN(CC1)c1cccc(c1)Cl | 10.1038/s41467-023-40064-9 | |||
4449 | 2759 | None | 31 | Human | Binding | pAC50 | = | 5.8 | 5.8 | -89 | 26 | ChEMBL | 469 | 10 | 0 | 7 | 3.6 | CCc1nn(c(=O)n1CCOc1ccccc1)CCCN1CCN(CC1)c1cccc(c1)Cl | 10.1038/s41467-023-40064-9 | |||
7247 | 2759 | None | 31 | Human | Binding | pAC50 | = | 5.8 | 5.8 | -89 | 26 | ChEMBL | 469 | 10 | 0 | 7 | 3.6 | CCc1nn(c(=O)n1CCOc1ccccc1)CCCN1CCN(CC1)c1cccc(c1)Cl | 10.1038/s41467-023-40064-9 | |||
CHEMBL623 | 2759 | None | 31 | Human | Binding | pAC50 | = | 5.8 | 5.8 | -89 | 26 | ChEMBL | 469 | 10 | 0 | 7 | 3.6 | CCc1nn(c(=O)n1CCOc1ccccc1)CCCN1CCN(CC1)c1cccc(c1)Cl | 10.1038/s41467-023-40064-9 | |||
DB01149 | 2759 | None | 31 | Human | Binding | pAC50 | = | 5.8 | 5.8 | -89 | 26 | ChEMBL | 469 | 10 | 0 | 7 | 3.6 | CCc1nn(c(=O)n1CCOc1ccccc1)CCCN1CCN(CC1)c1cccc(c1)Cl | 10.1038/s41467-023-40064-9 | |||
5489013 | 57421 | None | 24 | Human | Binding | pAC50 | = | 4.8 | 4.8 | - | 0 | ChEMBL | 313 | 8 | 2 | 4 | 3.0 | COc1cccc(C(=O)CCN[C@@H](C)[C@H](O)c2ccccc2)c1 | 10.1038/s41467-023-40064-9 | |||
CHEMBL1651913 | 57421 | None | 24 | Human | Binding | pAC50 | = | 4.8 | 4.8 | - | 0 | ChEMBL | 313 | 8 | 2 | 4 | 3.0 | COc1cccc(C(=O)CCN[C@@H](C)[C@H](O)c2ccccc2)c1 | 10.1038/s41467-023-40064-9 | |||
115358 | 101617 | None | 36 | Human | Binding | pAC50 | = | 4.8 | 4.8 | - | 0 | ChEMBL | 463 | 9 | 2 | 6 | 5.9 | COc1cc(C)c2c(Oc3cccc(C(F)(F)F)c3)c(OC)cc(NC(C)CCCN)c2n1 | 10.1038/s41467-023-40064-9 | |||
CHEMBL298470 | 101617 | None | 36 | Human | Binding | pAC50 | = | 4.8 | 4.8 | - | 0 | ChEMBL | 463 | 9 | 2 | 6 | 5.9 | COc1cc(C)c2c(Oc3cccc(C(F)(F)F)c3)c(OC)cc(NC(C)CCCN)c2n1 | 10.1038/s41467-023-40064-9 | |||
1577 | 3703 | None | 66 | Human | Binding | pAC50 | = | 4.8 | 4.8 | -549 | 20 | ChEMBL | 341 | 6 | 2 | 5 | 0.6 | CCN1CCC[C@@H]1CNC(=O)c1cc(ccc1OC)S(=O)(=O)N | 10.1038/s41467-023-40064-9 | |||
2537 | 3703 | None | 66 | Human | Binding | pAC50 | = | 4.8 | 4.8 | -549 | 20 | ChEMBL | 341 | 6 | 2 | 5 | 0.6 | CCN1CCC[C@@H]1CNC(=O)c1cc(ccc1OC)S(=O)(=O)N | 10.1038/s41467-023-40064-9 | |||
5355 | 3703 | None | 66 | Human | Binding | pAC50 | = | 4.8 | 4.8 | -549 | 20 | ChEMBL | 341 | 6 | 2 | 5 | 0.6 | CCN1CCC[C@@H]1CNC(=O)c1cc(ccc1OC)S(=O)(=O)N | 10.1038/s41467-023-40064-9 | |||
5501 | 3703 | None | 66 | Human | Binding | pAC50 | = | 4.8 | 4.8 | -549 | 20 | ChEMBL | 341 | 6 | 2 | 5 | 0.6 | CCN1CCC[C@@H]1CNC(=O)c1cc(ccc1OC)S(=O)(=O)N | 10.1038/s41467-023-40064-9 | |||
643497 | 3703 | None | 66 | Human | Binding | pAC50 | = | 4.8 | 4.8 | -549 | 20 | ChEMBL | 341 | 6 | 2 | 5 | 0.6 | CCN1CCC[C@@H]1CNC(=O)c1cc(ccc1OC)S(=O)(=O)N | 10.1038/s41467-023-40064-9 | |||
688272 | 3703 | None | 66 | Human | Binding | pAC50 | = | 4.8 | 4.8 | -549 | 20 | ChEMBL | 341 | 6 | 2 | 5 | 0.6 | CCN1CCC[C@@H]1CNC(=O)c1cc(ccc1OC)S(=O)(=O)N | 10.1038/s41467-023-40064-9 | |||
688272.0 | 3703 | None | 66 | Human | Binding | pAC50 | = | 4.8 | 4.8 | -549 | 20 | ChEMBL | 341 | 6 | 2 | 5 | 0.6 | CCN1CCC[C@@H]1CNC(=O)c1cc(ccc1OC)S(=O)(=O)N | 10.1038/s41467-023-40064-9 | |||
958 | 3703 | None | 66 | Human | Binding | pAC50 | = | 4.8 | 4.8 | -549 | 20 | ChEMBL | 341 | 6 | 2 | 5 | 0.6 | CCN1CCC[C@@H]1CNC(=O)c1cc(ccc1OC)S(=O)(=O)N | 10.1038/s41467-023-40064-9 | |||
960 | 3703 | None | 66 | Human | Binding | pAC50 | = | 4.8 | 4.8 | -549 | 20 | ChEMBL | 341 | 6 | 2 | 5 | 0.6 | CCN1CCC[C@@H]1CNC(=O)c1cc(ccc1OC)S(=O)(=O)N | 10.1038/s41467-023-40064-9 | |||
CHEMBL196677 | 3703 | None | 66 | Human | Binding | pAC50 | = | 4.8 | 4.8 | -549 | 20 | ChEMBL | 341 | 6 | 2 | 5 | 0.6 | CCN1CCC[C@@H]1CNC(=O)c1cc(ccc1OC)S(=O)(=O)N | 10.1038/s41467-023-40064-9 | |||
CHEMBL26 | 3703 | None | 66 | Human | Binding | pAC50 | = | 4.8 | 4.8 | -549 | 20 | ChEMBL | 341 | 6 | 2 | 5 | 0.6 | CCN1CCC[C@@H]1CNC(=O)c1cc(ccc1OC)S(=O)(=O)N | 10.1038/s41467-023-40064-9 | |||
CHEMBL267044 | 3703 | None | 66 | Human | Binding | pAC50 | = | 4.8 | 4.8 | -549 | 20 | ChEMBL | 341 | 6 | 2 | 5 | 0.6 | CCN1CCC[C@@H]1CNC(=O)c1cc(ccc1OC)S(=O)(=O)N | 10.1038/s41467-023-40064-9 | |||
DB00391 | 3703 | None | 66 | Human | Binding | pAC50 | = | 4.8 | 4.8 | -549 | 20 | ChEMBL | 341 | 6 | 2 | 5 | 0.6 | CCN1CCC[C@@H]1CNC(=O)c1cc(ccc1OC)S(=O)(=O)N | 10.1038/s41467-023-40064-9 | |||
DB16021 | 3703 | None | 66 | Human | Binding | pAC50 | = | 4.8 | 4.8 | -549 | 20 | ChEMBL | 341 | 6 | 2 | 5 | 0.6 | CCN1CCC[C@@H]1CNC(=O)c1cc(ccc1OC)S(=O)(=O)N | 10.1038/s41467-023-40064-9 | |||
2162 | 41527 | None | 58 | Human | Binding | pAC50 | = | 4.8 | 4.8 | - | 6 | 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 | 41527 | None | 58 | Human | Binding | pAC50 | = | 4.8 | 4.8 | - | 6 | 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 | |||
CHEMBL508338 | 189074 | None | 0 | Human | Binding | pAC50 | = | 4.8 | 4.8 | - | 6 | ChEMBL | None | None | None | None | 10.1038/s41467-023-40064-9 | |||||
5568 | 199956 | None | 21 | Human | Binding | pAC50 | = | 7.8 | 7.8 | - | 5 | ChEMBL | 352 | 4 | 0 | 3 | 5.3 | CN(C)CCCN1c2ccccc2Sc2ccc(C(F)(F)F)cc21 | 10.1038/s41467-023-40064-9 | |||
5568.0 | 199956 | None | 21 | Human | Binding | pAC50 | = | 7.8 | 7.8 | - | 5 | ChEMBL | 352 | 4 | 0 | 3 | 5.3 | CN(C)CCCN1c2ccccc2Sc2ccc(C(F)(F)F)cc21 | 10.1038/s41467-023-40064-9 | |||
66069 | 199956 | None | 21 | Human | Binding | pAC50 | = | 7.8 | 7.8 | - | 5 | ChEMBL | 352 | 4 | 0 | 3 | 5.3 | CN(C)CCCN1c2ccccc2Sc2ccc(C(F)(F)F)cc21 | 10.1038/s41467-023-40064-9 | |||
CHEMBL1201102 | 199956 | None | 21 | Human | Binding | pAC50 | = | 7.8 | 7.8 | - | 5 | ChEMBL | 352 | 4 | 0 | 3 | 5.3 | CN(C)CCCN1c2ccccc2Sc2ccc(C(F)(F)F)cc21 | 10.1038/s41467-023-40064-9 | |||
CHEMBL570 | 199956 | None | 21 | Human | Binding | pAC50 | = | 7.8 | 7.8 | - | 5 | ChEMBL | 352 | 4 | 0 | 3 | 5.3 | CN(C)CCCN1c2ccccc2Sc2ccc(C(F)(F)F)cc21 | 10.1038/s41467-023-40064-9 | |||
DB00508 | 199956 | None | 21 | Human | Binding | pAC50 | = | 7.8 | 7.8 | - | 5 | ChEMBL | 352 | 4 | 0 | 3 | 5.3 | CN(C)CCCN1c2ccccc2Sc2ccc(C(F)(F)F)cc21 | 10.1038/s41467-023-40064-9 | |||
71277 | 84573 | None | 18 | Human | Binding | pAC50 | = | 4.8 | 4.8 | - | 0 | ChEMBL | 789 | 9 | 4 | 15 | 2.7 | CCC(=O)O[C@H]1[C@H](O[C@@H]2[C@@H](C)[C@H](O[C@H]3C[C@@](C)(OC)[C@@H](O)[C@H](C)O3)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)C(=O)[C@H](C)C[C@@]2(C)O)O[C@H](C)C[C@@H]1N(C)C | 10.1038/s41467-023-40064-9 | |||
CHEMBL2220427 | 84573 | None | 18 | Human | Binding | pAC50 | = | 4.8 | 4.8 | - | 0 | ChEMBL | 789 | 9 | 4 | 15 | 2.7 | CCC(=O)O[C@H]1[C@H](O[C@@H]2[C@@H](C)[C@H](O[C@H]3C[C@@](C)(OC)[C@@H](O)[C@H](C)O3)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)C(=O)[C@H](C)C[C@@]2(C)O)O[C@H](C)C[C@@H]1N(C)C | 10.1038/s41467-023-40064-9 | |||
2286 | 3183 | None | 36 | Human | Binding | pAC50 | = | 5.8 | 5.8 | -40 | 29 | ChEMBL | 284 | 3 | 0 | 3 | 4.2 | CN(C(CN1c2ccccc2Sc2c1cccc2)C)C | 10.1038/s41467-023-40064-9 | |||
4927 | 3183 | None | 36 | Human | Binding | pAC50 | = | 5.8 | 5.8 | -40 | 29 | ChEMBL | 284 | 3 | 0 | 3 | 4.2 | CN(C(CN1c2ccccc2Sc2c1cccc2)C)C | 10.1038/s41467-023-40064-9 | |||
4927.0 | 3183 | None | 36 | Human | Binding | pAC50 | = | 5.8 | 5.8 | -40 | 29 | ChEMBL | 284 | 3 | 0 | 3 | 4.2 | CN(C(CN1c2ccccc2Sc2c1cccc2)C)C | 10.1038/s41467-023-40064-9 | |||
7282 | 3183 | None | 36 | Human | Binding | pAC50 | = | 5.8 | 5.8 | -40 | 29 | ChEMBL | 284 | 3 | 0 | 3 | 4.2 | CN(C(CN1c2ccccc2Sc2c1cccc2)C)C | 10.1038/s41467-023-40064-9 | |||
CHEMBL643 | 3183 | None | 36 | Human | Binding | pAC50 | = | 5.8 | 5.8 | -40 | 29 | ChEMBL | 284 | 3 | 0 | 3 | 4.2 | CN(C(CN1c2ccccc2Sc2c1cccc2)C)C | 10.1038/s41467-023-40064-9 | |||
DB01069 | 3183 | None | 36 | Human | Binding | pAC50 | = | 5.8 | 5.8 | -40 | 29 | ChEMBL | 284 | 3 | 0 | 3 | 4.2 | CN(C(CN1c2ccccc2Sc2c1cccc2)C)C | 10.1038/s41467-023-40064-9 | |||
22323 | 15305 | None | 29 | Human | Binding | pAC50 | = | 5.8 | 5.8 | - | 0 | ChEMBL | 287 | 2 | 5 | 2 | 2.9 | CC(C)NC(=N)NC(=N)Nc1ccc(Cl)c(Cl)c1 | 10.1038/s41467-023-40064-9 | |||
9571037 | 15305 | None | 29 | Human | Binding | pAC50 | = | 5.8 | 5.8 | - | 0 | ChEMBL | 287 | 2 | 5 | 2 | 2.9 | CC(C)NC(=N)NC(=N)Nc1ccc(Cl)c(Cl)c1 | 10.1038/s41467-023-40064-9 | |||
CHEMBL1213553 | 15305 | None | 29 | Human | Binding | pAC50 | = | 5.8 | 5.8 | - | 0 | ChEMBL | 287 | 2 | 5 | 2 | 2.9 | CC(C)NC(=N)NC(=N)Nc1ccc(Cl)c(Cl)c1 | 10.1038/s41467-023-40064-9 | |||
2146 | 3100 | None | 45 | Human | Binding | pAC50 | = | 4.7 | 4.7 | - | 11 | ChEMBL | 167 | 3 | 3 | 3 | 0.6 | CNC[C@@H](c1cccc(c1)O)O | 10.1038/s41467-023-40064-9 | |||
485 | 3100 | None | 45 | Human | Binding | pAC50 | = | 4.7 | 4.7 | - | 11 | ChEMBL | 167 | 3 | 3 | 3 | 0.6 | CNC[C@@H](c1cccc(c1)O)O | 10.1038/s41467-023-40064-9 | |||
6041 | 3100 | None | 45 | Human | Binding | pAC50 | = | 4.7 | 4.7 | - | 11 | ChEMBL | 167 | 3 | 3 | 3 | 0.6 | CNC[C@@H](c1cccc(c1)O)O | 10.1038/s41467-023-40064-9 | |||
6041.0 | 3100 | None | 45 | Human | Binding | pAC50 | = | 4.7 | 4.7 | - | 11 | ChEMBL | 167 | 3 | 3 | 3 | 0.6 | CNC[C@@H](c1cccc(c1)O)O | 10.1038/s41467-023-40064-9 | |||
CHEMBL1215 | 3100 | None | 45 | Human | Binding | pAC50 | = | 4.7 | 4.7 | - | 11 | ChEMBL | 167 | 3 | 3 | 3 | 0.6 | CNC[C@@H](c1cccc(c1)O)O | 10.1038/s41467-023-40064-9 | |||
DB00388 | 3100 | None | 45 | Human | Binding | pAC50 | = | 4.7 | 4.7 | - | 11 | ChEMBL | 167 | 3 | 3 | 3 | 0.6 | CNC[C@@H](c1cccc(c1)O)O | 10.1038/s41467-023-40064-9 | |||
6834 | 208010 | None | 36 | Human | Binding | pAC50 | = | 4.7 | 4.7 | - | 2 | ChEMBL | 318 | 5 | 0 | 2 | 3.9 | CN(C)CCC(c1ccc(Br)cc1)c1ccccn1 | 10.1038/s41467-023-40064-9 | |||
6834.0 | 208010 | None | 36 | Human | Binding | pAC50 | = | 4.7 | 4.7 | - | 2 | ChEMBL | 318 | 5 | 0 | 2 | 3.9 | CN(C)CCC(c1ccc(Br)cc1)c1ccccn1 | 10.1038/s41467-023-40064-9 | |||
CHEMBL811 | 208010 | None | 36 | Human | Binding | pAC50 | = | 4.7 | 4.7 | - | 2 | ChEMBL | 318 | 5 | 0 | 2 | 3.9 | CN(C)CCC(c1ccc(Br)cc1)c1ccccn1 | 10.1038/s41467-023-40064-9 | |||
DB00835 | 208010 | None | 36 | Human | Binding | pAC50 | = | 4.7 | 4.7 | - | 2 | ChEMBL | 318 | 5 | 0 | 2 | 3.9 | CN(C)CCC(c1ccc(Br)cc1)c1ccccn1 | 10.1038/s41467-023-40064-9 | |||
191 | 403 | None | 60 | Human | Binding | pAC50 | = | 6.7 | 6.7 | -26 | 28 | ChEMBL | 313 | 0 | 1 | 4 | 3.4 | Clc1ccc2c(c1)C(=Nc1c(O2)cccc1)N1CCNCC1 | 10.1038/s41467-023-40064-9 | |||
201 | 403 | None | 60 | Human | Binding | pAC50 | = | 6.7 | 6.7 | -26 | 28 | ChEMBL | 313 | 0 | 1 | 4 | 3.4 | Clc1ccc2c(c1)C(=Nc1c(O2)cccc1)N1CCNCC1 | 10.1038/s41467-023-40064-9 | |||
2170 | 403 | None | 60 | Human | Binding | pAC50 | = | 6.7 | 6.7 | -26 | 28 | ChEMBL | 313 | 0 | 1 | 4 | 3.4 | Clc1ccc2c(c1)C(=Nc1c(O2)cccc1)N1CCNCC1 | 10.1038/s41467-023-40064-9 | |||
2170.0 | 403 | None | 60 | Human | Binding | pAC50 | = | 6.7 | 6.7 | -26 | 28 | ChEMBL | 313 | 0 | 1 | 4 | 3.4 | Clc1ccc2c(c1)C(=Nc1c(O2)cccc1)N1CCNCC1 | 10.1038/s41467-023-40064-9 | |||
CHEMBL1113 | 403 | None | 60 | Human | Binding | pAC50 | = | 6.7 | 6.7 | -26 | 28 | ChEMBL | 313 | 0 | 1 | 4 | 3.4 | Clc1ccc2c(c1)C(=Nc1c(O2)cccc1)N1CCNCC1 | 10.1038/s41467-023-40064-9 | |||
DB00543 | 403 | None | 60 | Human | Binding | pAC50 | = | 6.7 | 6.7 | -26 | 28 | ChEMBL | 313 | 0 | 1 | 4 | 3.4 | Clc1ccc2c(c1)C(=Nc1c(O2)cccc1)N1CCNCC1 | 10.1038/s41467-023-40064-9 | |||
1909 | 2822 | None | 46 | Human | Binding | pAC50 | = | 5.7 | 5.7 | - | 4 | ChEMBL | 479 | 9 | 1 | 8 | 3.7 | COC(=O)C1=C(C)NC(=C(C1c1cccc(c1)[N+](=O)[O-])C(=O)OCCN(Cc1ccccc1)C)C | 10.1038/s41467-023-40064-9 | |||
2559 | 2822 | None | 46 | Human | Binding | pAC50 | = | 5.7 | 5.7 | - | 4 | ChEMBL | 479 | 9 | 1 | 8 | 3.7 | COC(=O)C1=C(C)NC(=C(C1c1cccc(c1)[N+](=O)[O-])C(=O)OCCN(Cc1ccccc1)C)C | 10.1038/s41467-023-40064-9 | |||
4474 | 2822 | None | 46 | Human | Binding | pAC50 | = | 5.7 | 5.7 | - | 4 | ChEMBL | 479 | 9 | 1 | 8 | 3.7 | COC(=O)C1=C(C)NC(=C(C1c1cccc(c1)[N+](=O)[O-])C(=O)OCCN(Cc1ccccc1)C)C | 10.1038/s41467-023-40064-9 | |||
CHEMBL1484 | 2822 | None | 46 | Human | Binding | pAC50 | = | 5.7 | 5.7 | - | 4 | ChEMBL | 479 | 9 | 1 | 8 | 3.7 | COC(=O)C1=C(C)NC(=C(C1c1cccc(c1)[N+](=O)[O-])C(=O)OCCN(Cc1ccccc1)C)C | 10.1038/s41467-023-40064-9 | |||
CHEMBL3302409 | 2822 | None | 46 | Human | Binding | pAC50 | = | 5.7 | 5.7 | - | 4 | ChEMBL | 479 | 9 | 1 | 8 | 3.7 | COC(=O)C1=C(C)NC(=C(C1c1cccc(c1)[N+](=O)[O-])C(=O)OCCN(Cc1ccccc1)C)C | 10.1038/s41467-023-40064-9 | |||
DB00622 | 2822 | None | 46 | Human | Binding | pAC50 | = | 5.7 | 5.7 | - | 4 | ChEMBL | 479 | 9 | 1 | 8 | 3.7 | COC(=O)C1=C(C)NC(=C(C1c1cccc(c1)[N+](=O)[O-])C(=O)OCCN(Cc1ccccc1)C)C | 10.1038/s41467-023-40064-9 | |||
212 | 3806 | None | 35 | Human | Binding | pAC50 | = | 7.7 | 7.7 | -6 | 25 | 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 | None | 35 | Human | Binding | pAC50 | = | 7.7 | 7.7 | -6 | 25 | 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 | None | 35 | Human | Binding | pAC50 | = | 7.7 | 7.7 | -6 | 25 | 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 | |||
941651.0 | 3806 | None | 35 | Human | Binding | pAC50 | = | 7.7 | 7.7 | -6 | 25 | 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 | None | 35 | Human | Binding | pAC50 | = | 7.7 | 7.7 | -6 | 25 | 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 | None | 35 | Human | Binding | pAC50 | = | 7.7 | 7.7 | -6 | 25 | 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 | |||
2335 | 11852 | None | 18 | Human | Binding | pAC50 | = | 5.7 | 5.7 | - | 12 | ChEMBL | 412 | 11 | 0 | 2 | 6.1 | CC(C)(C)CC(C)(C)c1ccc(OCCOCC[N+](C)(C)Cc2ccccc2)cc1 | 10.1038/s41467-023-40064-9 | |||
8478 | 11852 | None | 18 | Human | Binding | pAC50 | = | 5.7 | 5.7 | - | 12 | ChEMBL | 412 | 11 | 0 | 2 | 6.1 | CC(C)(C)CC(C)(C)c1ccc(OCCOCC[N+](C)(C)Cc2ccccc2)cc1 | 10.1038/s41467-023-40064-9 | |||
CHEMBL1182210 | 11852 | None | 18 | Human | Binding | pAC50 | = | 5.7 | 5.7 | - | 12 | ChEMBL | 412 | 11 | 0 | 2 | 6.1 | CC(C)(C)CC(C)(C)c1ccc(OCCOCC[N+](C)(C)Cc2ccccc2)cc1 | 10.1038/s41467-023-40064-9 | |||
CHEMBL221753 | 11852 | None | 18 | Human | Binding | pAC50 | = | 5.7 | 5.7 | - | 12 | ChEMBL | 412 | 11 | 0 | 2 | 6.1 | CC(C)(C)CC(C)(C)c1ccc(OCCOCC[N+](C)(C)Cc2ccccc2)cc1 | 10.1038/s41467-023-40064-9 | |||
25025298 | 78180 | None | 37 | Human | Binding | pAC50 | = | 4.7 | 4.7 | - | 0 | ChEMBL | 546 | 8 | 3 | 8 | 4.5 | Cc1ccn(-c2cc(Cl)ccc2[C@@H](Oc2cc(-c3ccc(C[C@H](N)C(=O)O)cc3)nc(N)n2)C(F)(F)F)n1 | 10.1038/s41467-023-40064-9 | |||
CHEMBL2103855 | 78180 | None | 37 | Human | Binding | pAC50 | = | 4.7 | 4.7 | - | 0 | ChEMBL | 546 | 8 | 3 | 8 | 4.5 | Cc1ccn(-c2cc(Cl)ccc2[C@@H](Oc2cc(-c3ccc(C[C@H](N)C(=O)O)cc3)nc(N)n2)C(F)(F)F)n1 | 10.1038/s41467-023-40064-9 | |||
103 | 4153 | None | 44 | Human | Binding | pAC50 | = | 4.7 | 4.7 | -28 | 53 | ChEMBL | 331 | 4 | 0 | 3 | 4.9 | CN(CCOC1=Cc2ccccc2Sc2c1cc(Cl)cc2)C | 10.1038/s41467-023-40064-9 | |||
2875 | 4153 | None | 44 | Human | Binding | pAC50 | = | 4.7 | 4.7 | -28 | 53 | ChEMBL | 331 | 4 | 0 | 3 | 4.9 | CN(CCOC1=Cc2ccccc2Sc2c1cc(Cl)cc2)C | 10.1038/s41467-023-40064-9 | |||
5736 | 4153 | None | 44 | Human | Binding | pAC50 | = | 4.7 | 4.7 | -28 | 53 | ChEMBL | 331 | 4 | 0 | 3 | 4.9 | CN(CCOC1=Cc2ccccc2Sc2c1cc(Cl)cc2)C | 10.1038/s41467-023-40064-9 | |||
CHEMBL285802 | 4153 | None | 44 | Human | Binding | pAC50 | = | 4.7 | 4.7 | -28 | 53 | ChEMBL | 331 | 4 | 0 | 3 | 4.9 | CN(CCOC1=Cc2ccccc2Sc2c1cc(Cl)cc2)C | 10.1038/s41467-023-40064-9 | |||
DB09225 | 4153 | None | 44 | Human | Binding | pAC50 | = | 4.7 | 4.7 | -28 | 53 | ChEMBL | 331 | 4 | 0 | 3 | 4.9 | CN(CCOC1=Cc2ccccc2Sc2c1cc(Cl)cc2)C | 10.1038/s41467-023-40064-9 | |||
3601 | 14509 | None | 4 | Human | Binding | pAC50 | = | 4.7 | 4.7 | - | 0 | ChEMBL | 502 | 9 | 0 | 0 | 8.2 | C[N+](C)(CCCCCC[N+](C)(C)C1c2ccccc2-c2ccccc21)C1c2ccccc2-c2ccccc21 | 10.1038/s41467-023-40064-9 | |||
CHEMBL1201349 | 14509 | None | 4 | Human | Binding | pAC50 | = | 4.7 | 4.7 | - | 0 | ChEMBL | 502 | 9 | 0 | 0 | 8.2 | C[N+](C)(CCCCCC[N+](C)(C)C1c2ccccc2-c2ccccc21)C1c2ccccc2-c2ccccc21 | 10.1038/s41467-023-40064-9 | |||
2762 | 3863 | None | 23 | Human | Binding | pAC50 | = | 4.7 | 4.7 | - | 2 | ChEMBL | 255 | 6 | 0 | 3 | 2.7 | CN(CCN(c1ccccn1)Cc1ccccc1)C | 10.1038/s41467-023-40064-9 | |||
5587 | 3863 | None | 23 | Human | Binding | pAC50 | = | 4.7 | 4.7 | - | 2 | ChEMBL | 255 | 6 | 0 | 3 | 2.7 | CN(CCN(c1ccccn1)Cc1ccccc1)C | 10.1038/s41467-023-40064-9 | |||
5587.0 | 3863 | None | 23 | Human | Binding | pAC50 | = | 4.7 | 4.7 | - | 2 | ChEMBL | 255 | 6 | 0 | 3 | 2.7 | CN(CCN(c1ccccn1)Cc1ccccc1)C | 10.1038/s41467-023-40064-9 | |||
7318 | 3863 | None | 23 | Human | Binding | pAC50 | = | 4.7 | 4.7 | - | 2 | ChEMBL | 255 | 6 | 0 | 3 | 2.7 | CN(CCN(c1ccccn1)Cc1ccccc1)C | 10.1038/s41467-023-40064-9 | |||
CHEMBL1241 | 3863 | None | 23 | Human | Binding | pAC50 | = | 4.7 | 4.7 | - | 2 | ChEMBL | 255 | 6 | 0 | 3 | 2.7 | CN(CCN(c1ccccn1)Cc1ccccc1)C | 10.1038/s41467-023-40064-9 | |||
DB00792 | 3863 | None | 23 | Human | Binding | pAC50 | = | 4.7 | 4.7 | - | 2 | ChEMBL | 255 | 6 | 0 | 3 | 2.7 | CN(CCN(c1ccccn1)Cc1ccccc1)C | 10.1038/s41467-023-40064-9 | |||
5583 | 13049 | None | 39 | Human | Binding | pAC50 | = | 5.7 | 5.7 | - | 0 | ChEMBL | 369 | 6 | 3 | 8 | 2.7 | COc1cc(NCc2ccc3nc(N)nc(N)c3c2C)cc(OC)c1OC | 10.1038/s41467-023-40064-9 | |||
CHEMBL119 | 13049 | None | 39 | Human | Binding | pAC50 | = | 5.7 | 5.7 | - | 0 | ChEMBL | 369 | 6 | 3 | 8 | 2.7 | COc1cc(NCc2ccc3nc(N)nc(N)c3c2C)cc(OC)c1OC | 10.1038/s41467-023-40064-9 | |||
22530 | 56146 | None | 40 | Human | Binding | pAC50 | = | 5.7 | 5.7 | - | 3 | ChEMBL | 276 | 2 | 0 | 2 | 3.7 | CN1CCc2c(c3ccccc3n2Cc2ccccc2)C1 | 10.1038/s41467-023-40064-9 | |||
CHEMBL1600878 | 56146 | None | 40 | Human | Binding | pAC50 | = | 5.7 | 5.7 | - | 3 | ChEMBL | 276 | 2 | 0 | 2 | 3.7 | CN1CCc2c(c3ccccc3n2Cc2ccccc2)C1 | 10.1038/s41467-023-40064-9 | |||
CHEMBL1625607 | 56146 | None | 40 | Human | Binding | pAC50 | = | 5.7 | 5.7 | - | 3 | ChEMBL | 276 | 2 | 0 | 2 | 3.7 | CN1CCc2c(c3ccccc3n2Cc2ccccc2)C1 | 10.1038/s41467-023-40064-9 | |||
62867 | 3129 | None | 27 | Human | Binding | pAC50 | = | 7.7 | 7.7 | - | 2 | ChEMBL | 475 | 8 | 1 | 6 | 4.0 | OCCC1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)S(=O)(=O)N(C)C | 10.1038/s41467-023-40064-9 | |||
7557 | 3129 | None | 27 | Human | Binding | pAC50 | = | 7.7 | 7.7 | - | 2 | ChEMBL | 475 | 8 | 1 | 6 | 4.0 | OCCC1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)S(=O)(=O)N(C)C | 10.1038/s41467-023-40064-9 | |||
CHEMBL398880 | 3129 | None | 27 | Human | Binding | pAC50 | = | 7.7 | 7.7 | - | 2 | ChEMBL | 475 | 8 | 1 | 6 | 4.0 | OCCC1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)S(=O)(=O)N(C)C | 10.1038/s41467-023-40064-9 | |||
DB01621 | 3129 | None | 27 | Human | Binding | pAC50 | = | 7.7 | 7.7 | - | 2 | ChEMBL | 475 | 8 | 1 | 6 | 4.0 | OCCC1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)S(=O)(=O)N(C)C | 10.1038/s41467-023-40064-9 | |||
9822750 | 78440 | None | 44 | Human | Binding | pAC50 | = | 4.7 | 4.7 | - | 0 | ChEMBL | 408 | 8 | 2 | 7 | 2.3 | CCOC(=O)C1=C(COCCN)NC(C)=C(C(=O)OC)[C@@H]1c1ccccc1Cl | 10.1038/s41467-023-40064-9 | |||
CHEMBL2111097 | 78440 | None | 44 | Human | Binding | pAC50 | = | 4.7 | 4.7 | - | 0 | ChEMBL | 408 | 8 | 2 | 7 | 2.3 | CCOC(=O)C1=C(COCCN)NC(C)=C(C(=O)OC)[C@@H]1c1ccccc1Cl | 10.1038/s41467-023-40064-9 | |||
25151352 | 140693 | None | 56 | Human | Binding | pAC50 | = | 4.7 | 4.7 | - | 0 | ChEMBL | 417 | 5 | 2 | 4 | 5.2 | FC(F)(F)c1ccc(CNc2ccc(Cc3c[nH]c4ncc(Cl)cc34)cn2)cn1 | 10.1038/s41467-023-40064-9 | |||
CHEMBL3813873 | 140693 | None | 56 | Human | Binding | pAC50 | = | 4.7 | 4.7 | - | 0 | ChEMBL | 417 | 5 | 2 | 4 | 5.2 | FC(F)(F)c1ccc(CNc2ccc(Cc3c[nH]c4ncc(Cl)cc34)cn2)cn1 | 10.1038/s41467-023-40064-9 | |||
1547484 | 940 | None | 51 | Human | Binding | pAC50 | = | 5.7 | 5.7 | - | 20 | ChEMBL | 368 | 6 | 0 | 2 | 5.1 | c1ccc(cc1)/C=C/CN1CCN(CC1)C(c1ccccc1)c1ccccc1 | 10.1038/s41467-023-40064-9 | |||
1547484.0 | 940 | None | 51 | Human | Binding | pAC50 | = | 5.7 | 5.7 | - | 20 | ChEMBL | 368 | 6 | 0 | 2 | 5.1 | c1ccc(cc1)/C=C/CN1CCN(CC1)C(c1ccccc1)c1ccccc1 | 10.1038/s41467-023-40064-9 | |||
654 | 940 | None | 51 | Human | Binding | pAC50 | = | 5.7 | 5.7 | - | 20 | ChEMBL | 368 | 6 | 0 | 2 | 5.1 | c1ccc(cc1)/C=C/CN1CCN(CC1)C(c1ccccc1)c1ccccc1 | 10.1038/s41467-023-40064-9 | |||
9072 | 940 | None | 51 | Human | Binding | pAC50 | = | 5.7 | 5.7 | - | 20 | ChEMBL | 368 | 6 | 0 | 2 | 5.1 | c1ccc(cc1)/C=C/CN1CCN(CC1)C(c1ccccc1)c1ccccc1 | 10.1038/s41467-023-40064-9 | |||
CHEMBL43064 | 940 | None | 51 | Human | Binding | pAC50 | = | 5.7 | 5.7 | - | 20 | ChEMBL | 368 | 6 | 0 | 2 | 5.1 | c1ccc(cc1)/C=C/CN1CCN(CC1)C(c1ccccc1)c1ccccc1 | 10.1038/s41467-023-40064-9 | |||
DB00568 | 940 | None | 51 | Human | Binding | pAC50 | = | 5.7 | 5.7 | - | 20 | ChEMBL | 368 | 6 | 0 | 2 | 5.1 | c1ccc(cc1)/C=C/CN1CCN(CC1)C(c1ccccc1)c1ccccc1 | 10.1038/s41467-023-40064-9 | |||
4167 | 14506 | None | 28 | Human | Binding | pAC50 | = | 5.7 | 5.7 | - | 0 | ChEMBL | 309 | 2 | 0 | 2 | 5.0 | CN1CCCC(CC2c3ccccc3Sc3ccccc32)C1 | 10.1038/s41467-023-40064-9 | |||
4167.0 | 14506 | None | 28 | Human | Binding | pAC50 | = | 5.7 | 5.7 | - | 0 | ChEMBL | 309 | 2 | 0 | 2 | 5.0 | CN1CCCC(CC2c3ccccc3Sc3ccccc32)C1 | 10.1038/s41467-023-40064-9 | |||
CHEMBL1201342 | 14506 | None | 28 | Human | Binding | pAC50 | = | 5.7 | 5.7 | - | 0 | ChEMBL | 309 | 2 | 0 | 2 | 5.0 | CN1CCCC(CC2c3ccccc3Sc3ccccc32)C1 | 10.1038/s41467-023-40064-9 | |||
DB00340 | 14506 | None | 28 | Human | Binding | pAC50 | = | 5.7 | 5.7 | - | 0 | ChEMBL | 309 | 2 | 0 | 2 | 5.0 | CN1CCCC(CC2c3ccccc3Sc3ccccc32)C1 | 10.1038/s41467-023-40064-9 | |||
40973 | 46049 | None | 50 | Human | Binding | pAC50 | = | 4.7 | 4.7 | - | 0 | ChEMBL | 310 | 1 | 1 | 1 | 4.9 | C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CCCC[C@@H]4[C@H]3C(=C)C[C@@]21CC | 10.1038/s41467-023-40064-9 | |||
CHEMBL1533 | 46049 | None | 50 | Human | Binding | pAC50 | = | 4.7 | 4.7 | - | 0 | ChEMBL | 310 | 1 | 1 | 1 | 4.9 | C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CCCC[C@@H]4[C@H]3C(=C)C[C@@]21CC | 10.1038/s41467-023-40064-9 | |||
4418 | 34231 | None | 58 | Human | Binding | pAC50 | = | 5.7 | 5.7 | - | 6 | ChEMBL | 392 | 7 | 1 | 5 | 3.4 | COc1ccccc1N1CCN(CC(O)COc2cccc3ccccc23)CC1 | 10.1038/s41467-023-40064-9 | |||
4418.0 | 34231 | None | 58 | Human | Binding | pAC50 | = | 5.7 | 5.7 | - | 6 | ChEMBL | 392 | 7 | 1 | 5 | 3.4 | COc1ccccc1N1CCN(CC(O)COc2cccc3ccccc23)CC1 | 10.1038/s41467-023-40064-9 | |||
CHEMBL142635 | 34231 | None | 58 | Human | Binding | pAC50 | = | 5.7 | 5.7 | - | 6 | ChEMBL | 392 | 7 | 1 | 5 | 3.4 | COc1ccccc1N1CCN(CC(O)COc2cccc3ccccc23)CC1 | 10.1038/s41467-023-40064-9 | |||
DB12092 | 34231 | None | 58 | Human | Binding | pAC50 | = | 5.7 | 5.7 | - | 6 | ChEMBL | 392 | 7 | 1 | 5 | 3.4 | COc1ccccc1N1CCN(CC(O)COc2cccc3ccccc23)CC1 | 10.1038/s41467-023-40064-9 | |||
3344 | 200774 | None | 37 | Human | Binding | pAC50 | = | 4.7 | 4.7 | - | 0 | ChEMBL | 260 | 3 | 1 | 3 | 1.8 | O=C1NCC2(CCN(CCc3ccccc3)CC2)O1 | 10.1038/s41467-023-40064-9 | |||
CHEMBL576127 | 200774 | None | 37 | Human | Binding | pAC50 | = | 4.7 | 4.7 | - | 0 | ChEMBL | 260 | 3 | 1 | 3 | 1.8 | O=C1NCC2(CCN(CCc3ccccc3)CC2)O1 | 10.1038/s41467-023-40064-9 | |||
242 | 470 | None | 70 | Human | Binding | pAC50 | = | 5.7 | 5.7 | -281 | 51 | 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 | None | 70 | Human | Binding | pAC50 | = | 5.7 | 5.7 | -281 | 51 | 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 | None | 70 | Human | Binding | pAC50 | = | 5.7 | 5.7 | -281 | 51 | ChEMBL | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | 10.1038/s41467-023-40064-9 | |||
60795.0 | 470 | None | 70 | Human | Binding | pAC50 | = | 5.7 | 5.7 | -281 | 51 | 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 | None | 70 | Human | Binding | pAC50 | = | 5.7 | 5.7 | -281 | 51 | 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 | None | 70 | Human | Binding | pAC50 | = | 5.7 | 5.7 | -281 | 51 | ChEMBL | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | 10.1038/s41467-023-40064-9 | |||
9601226 | 102455 | None | 5 | Human | Binding | pAC50 | = | 4.7 | 4.7 | - | 0 | ChEMBL | 563 | 14 | 1 | 6 | 6.1 | CCC(=O)O[C@@H](O[P@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1C(=O)O)C(C)C | 10.1038/s41467-023-40064-9 | |||
CHEMBL3039598 | 102455 | None | 5 | Human | Binding | pAC50 | = | 4.7 | 4.7 | - | 0 | ChEMBL | 563 | 14 | 1 | 6 | 6.1 | CCC(=O)O[C@@H](O[P@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1C(=O)O)C(C)C | 10.1038/s41467-023-40064-9 | |||
138106885 | 167007 | None | 49 | Human | Binding | pAC50 | = | 5.7 | 5.7 | - | 4 | ChEMBL | 853 | 10 | 4 | 14 | 3.7 | CC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](O)C[C@H]3OC[C@@]3(OC(C)=O)[C@H]2[C@H](OC(=O)c2ccccc2)[C@]2(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)c3ccccc3)c3ccccc3)C(C)=C1C2(C)C | 10.1038/s41467-023-40064-9 | |||
36314 | 167007 | None | 49 | Human | Binding | pAC50 | = | 5.7 | 5.7 | - | 4 | ChEMBL | 853 | 10 | 4 | 14 | 3.7 | CC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](O)C[C@H]3OC[C@@]3(OC(C)=O)[C@H]2[C@H](OC(=O)c2ccccc2)[C@]2(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)c3ccccc3)c3ccccc3)C(C)=C1C2(C)C | 10.1038/s41467-023-40064-9 | |||
CHEMBL428647 | 167007 | None | 49 | Human | Binding | pAC50 | = | 5.7 | 5.7 | - | 4 | ChEMBL | 853 | 10 | 4 | 14 | 3.7 | CC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](O)C[C@H]3OC[C@@]3(OC(C)=O)[C@H]2[C@H](OC(=O)c2ccccc2)[C@]2(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)c3ccccc3)c3ccccc3)C(C)=C1C2(C)C | 10.1038/s41467-023-40064-9 | |||
3336 | 95054 | None | 22 | Human | Binding | pAC50 | = | 4.7 | 4.7 | - | 1 | ChEMBL | 315 | 7 | 1 | 1 | 5.6 | CC(NCCC(c1ccccc1)c1ccccc1)c1ccccc1 | 10.1038/s41467-023-40064-9 | |||
CHEMBL1405922 | 95054 | None | 22 | Human | Binding | pAC50 | = | 4.7 | 4.7 | - | 1 | ChEMBL | 315 | 7 | 1 | 1 | 5.6 | CC(NCCC(c1ccccc1)c1ccccc1)c1ccccc1 | 10.1038/s41467-023-40064-9 | |||
CHEMBL254832 | 95054 | None | 22 | Human | Binding | pAC50 | = | 4.7 | 4.7 | - | 1 | ChEMBL | 315 | 7 | 1 | 1 | 5.6 | CC(NCCC(c1ccccc1)c1ccccc1)c1ccccc1 | 10.1038/s41467-023-40064-9 | |||
4601 | 209205 | None | 27 | Human | Binding | pAC50 | = | 4.7 | 4.7 | - | 17 | ChEMBL | 269 | 6 | 0 | 2 | 3.7 | Cc1ccccc1C(OCCN(C)C)c1ccccc1 | 10.1038/s41467-023-40064-9 | |||
4601.0 | 209205 | None | 27 | Human | Binding | pAC50 | = | 4.7 | 4.7 | - | 17 | ChEMBL | 269 | 6 | 0 | 2 | 3.7 | Cc1ccccc1C(OCCN(C)C)c1ccccc1 | 10.1038/s41467-023-40064-9 | |||
CHEMBL1201023 | 209205 | None | 27 | Human | Binding | pAC50 | = | 4.7 | 4.7 | - | 17 | ChEMBL | 269 | 6 | 0 | 2 | 3.7 | Cc1ccccc1C(OCCN(C)C)c1ccccc1 | 10.1038/s41467-023-40064-9 | |||
CHEMBL900 | 209205 | None | 27 | Human | Binding | pAC50 | = | 4.7 | 4.7 | - | 17 | ChEMBL | 269 | 6 | 0 | 2 | 3.7 | Cc1ccccc1C(OCCN(C)C)c1ccccc1 | 10.1038/s41467-023-40064-9 | |||
DB01173 | 209205 | None | 27 | Human | Binding | pAC50 | = | 4.7 | 4.7 | - | 17 | ChEMBL | 269 | 6 | 0 | 2 | 3.7 | Cc1ccccc1C(OCCN(C)C)c1ccccc1 | 10.1038/s41467-023-40064-9 | |||
102 | 4127 | None | 36 | Human | Binding | pAC50 | = | 5.7 | 5.7 | -251188 | 50 | 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 | None | 36 | Human | Binding | pAC50 | = | 5.7 | 5.7 | -251188 | 50 | 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 | None | 36 | Human | Binding | pAC50 | = | 5.7 | 5.7 | -251188 | 50 | 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 | |||
8969.0 | 4127 | None | 36 | Human | Binding | pAC50 | = | 5.7 | 5.7 | -251188 | 50 | 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 | None | 36 | Human | Binding | pAC50 | = | 5.7 | 5.7 | -251188 | 50 | 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 | None | 36 | Human | Binding | pAC50 | = | 5.7 | 5.7 | -251188 | 50 | 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 | |||
25295 | 13625 | None | 28 | Human | Binding | pAC50 | = | 5.7 | 5.7 | - | 0 | ChEMBL | 289 | 6 | 0 | 3 | 3.3 | CN(C)CCN(Cc1ccc(Cl)cc1)c1ccccn1 | 10.1038/s41467-023-40064-9 | |||
CHEMBL1194287 | 13625 | None | 28 | Human | Binding | pAC50 | = | 5.7 | 5.7 | - | 0 | ChEMBL | 289 | 6 | 0 | 3 | 3.3 | CN(C)CCN(Cc1ccc(Cl)cc1)c1ccccn1 | 10.1038/s41467-023-40064-9 | |||
9417 | 133581 | None | 40 | Human | Binding | pAC50 | = | 5.7 | 5.7 | - | 0 | ChEMBL | 363 | 6 | 1 | 4 | 3.3 | OCCN1CCN(CCCN2c3ccccc3C=Cc3ccccc32)CC1 | 10.1038/s41467-023-40064-9 | |||
CHEMBL1524185 | 133581 | None | 40 | Human | Binding | pAC50 | = | 5.7 | 5.7 | - | 0 | ChEMBL | 363 | 6 | 1 | 4 | 3.3 | OCCN1CCN(CCCN2c3ccccc3C=Cc3ccccc32)CC1 | 10.1038/s41467-023-40064-9 | |||
CHEMBL370753 | 133581 | None | 40 | Human | Binding | pAC50 | = | 5.7 | 5.7 | - | 0 | ChEMBL | 363 | 6 | 1 | 4 | 3.3 | OCCN1CCN(CCCN2c3ccccc3C=Cc3ccccc32)CC1 | 10.1038/s41467-023-40064-9 | |||
11057 | 176253 | None | 16 | Human | Binding | pAC50 | = | 5.6 | 5.6 | -2 | 20 | ChEMBL | 372 | 4 | 0 | 2 | 4.5 | CN(C)c1ccc(C(=C2C=CC(=[N+](C)C)C=C2)c2ccc(N(C)C)cc2)cc1 | 10.1038/s41467-023-40064-9 | |||
3468 | 176253 | None | 16 | Human | Binding | pAC50 | = | 5.6 | 5.6 | -2 | 20 | ChEMBL | 372 | 4 | 0 | 2 | 4.5 | CN(C)c1ccc(C(=C2C=CC(=[N+](C)C)C=C2)c2ccc(N(C)C)cc2)cc1 | 10.1038/s41467-023-40064-9 | |||
CHEMBL459265 | 176253 | None | 16 | Human | Binding | pAC50 | = | 5.6 | 5.6 | -2 | 20 | ChEMBL | 372 | 4 | 0 | 2 | 4.5 | CN(C)c1ccc(C(=C2C=CC(=[N+](C)C)C=C2)c2ccc(N(C)C)cc2)cc1 | 10.1038/s41467-023-40064-9 | |||
CHEMBL64894 | 176253 | None | 16 | Human | Binding | pAC50 | = | 5.6 | 5.6 | -2 | 20 | ChEMBL | 372 | 4 | 0 | 2 | 4.5 | CN(C)c1ccc(C(=C2C=CC(=[N+](C)C)C=C2)c2ccc(N(C)C)cc2)cc1 | 10.1038/s41467-023-40064-9 | |||
2585 | 803 | None | 59 | Human | Binding | pAC50 | = | 5.6 | 5.6 | -134 | 22 | ChEMBL | 406 | 10 | 3 | 5 | 3.7 | COc1ccccc1OCCNCC(COc1cccc2c1c1ccccc1[nH]2)O | 10.1038/s41467-023-40064-9 | |||
2585.0 | 803 | None | 59 | Human | Binding | pAC50 | = | 5.6 | 5.6 | -134 | 22 | ChEMBL | 406 | 10 | 3 | 5 | 3.7 | COc1ccccc1OCCNCC(COc1cccc2c1c1ccccc1[nH]2)O | 10.1038/s41467-023-40064-9 | |||
522 | 803 | None | 59 | Human | Binding | pAC50 | = | 5.6 | 5.6 | -134 | 22 | ChEMBL | 406 | 10 | 3 | 5 | 3.7 | COc1ccccc1OCCNCC(COc1cccc2c1c1ccccc1[nH]2)O | 10.1038/s41467-023-40064-9 | |||
551 | 803 | None | 59 | Human | Binding | pAC50 | = | 5.6 | 5.6 | -134 | 22 | ChEMBL | 406 | 10 | 3 | 5 | 3.7 | COc1ccccc1OCCNCC(COc1cccc2c1c1ccccc1[nH]2)O | 10.1038/s41467-023-40064-9 | |||
CHEMBL723 | 803 | None | 59 | Human | Binding | pAC50 | = | 5.6 | 5.6 | -134 | 22 | ChEMBL | 406 | 10 | 3 | 5 | 3.7 | COc1ccccc1OCCNCC(COc1cccc2c1c1ccccc1[nH]2)O | 10.1038/s41467-023-40064-9 | |||
DB01136 | 803 | None | 59 | Human | Binding | pAC50 | = | 5.6 | 5.6 | -134 | 22 | ChEMBL | 406 | 10 | 3 | 5 | 3.7 | COc1ccccc1OCCNCC(COc1cccc2c1c1ccccc1[nH]2)O | 10.1038/s41467-023-40064-9 | |||
3117 | 210300 | None | 60 | Human | Binding | pAC50 | = | 4.6 | 4.6 | -2 | 16 | ChEMBL | 296 | 4 | 0 | 4 | 3.6 | CCN(CC)C(=S)SSC(=S)N(CC)CC | 10.1038/s41467-023-40064-9 | |||
CHEMBL964 | 210300 | None | 60 | Human | Binding | pAC50 | = | 4.6 | 4.6 | -2 | 16 | ChEMBL | 296 | 4 | 0 | 4 | 3.6 | CCN(CC)C(=S)SSC(=S)N(CC)CC | 10.1038/s41467-023-40064-9 | |||
1599 | 2341 | None | 28 | Human | Binding | pAC50 | = | 4.6 | 4.6 | - | 18 | ChEMBL | 476 | 7 | 1 | 3 | 5.1 | Clc1ccc(cc1)C1(O)CCN(CC1)CCC(C(=O)N(C)C)(c1ccccc1)c1ccccc1 | 10.1038/s41467-023-40064-9 | |||
3955 | 2341 | None | 28 | Human | Binding | pAC50 | = | 4.6 | 4.6 | - | 18 | ChEMBL | 476 | 7 | 1 | 3 | 5.1 | Clc1ccc(cc1)C1(O)CCN(CC1)CCC(C(=O)N(C)C)(c1ccccc1)c1ccccc1 | 10.1038/s41467-023-40064-9 | |||
3955.0 | 2341 | None | 28 | Human | Binding | pAC50 | = | 4.6 | 4.6 | - | 18 | ChEMBL | 476 | 7 | 1 | 3 | 5.1 | Clc1ccc(cc1)C1(O)CCN(CC1)CCC(C(=O)N(C)C)(c1ccccc1)c1ccccc1 | 10.1038/s41467-023-40064-9 | |||
7215 | 2341 | None | 28 | Human | Binding | pAC50 | = | 4.6 | 4.6 | - | 18 | ChEMBL | 476 | 7 | 1 | 3 | 5.1 | Clc1ccc(cc1)C1(O)CCN(CC1)CCC(C(=O)N(C)C)(c1ccccc1)c1ccccc1 | 10.1038/s41467-023-40064-9 | |||
CHEMBL841 | 2341 | None | 28 | Human | Binding | pAC50 | = | 4.6 | 4.6 | - | 18 | ChEMBL | 476 | 7 | 1 | 3 | 5.1 | Clc1ccc(cc1)C1(O)CCN(CC1)CCC(C(=O)N(C)C)(c1ccccc1)c1ccccc1 | 10.1038/s41467-023-40064-9 | |||
DB00836 | 2341 | None | 28 | Human | Binding | pAC50 | = | 4.6 | 4.6 | - | 18 | ChEMBL | 476 | 7 | 1 | 3 | 5.1 | Clc1ccc(cc1)C1(O)CCN(CC1)CCC(C(=O)N(C)C)(c1ccccc1)c1ccccc1 | 10.1038/s41467-023-40064-9 | |||
135398737 | 958 | None | 57 | Human | Binding | pAC50 | = | 6.6 | 6.6 | -44 | 91 | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 10.1038/s41467-023-40064-9 | |||
135398737.0 | 958 | None | 57 | Human | Binding | pAC50 | = | 6.6 | 6.6 | -44 | 91 | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 10.1038/s41467-023-40064-9 | |||
38 | 958 | None | 57 | Human | Binding | pAC50 | = | 6.6 | 6.6 | -44 | 91 | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 10.1038/s41467-023-40064-9 | |||
722 | 958 | None | 57 | Human | Binding | pAC50 | = | 6.6 | 6.6 | -44 | 91 | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 10.1038/s41467-023-40064-9 | |||
CHEMBL42 | 958 | None | 57 | Human | Binding | pAC50 | = | 6.6 | 6.6 | -44 | 91 | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 10.1038/s41467-023-40064-9 | |||
DB00363 | 958 | None | 57 | Human | Binding | pAC50 | = | 6.6 | 6.6 | -44 | 91 | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 10.1038/s41467-023-40064-9 | |||
16564 | 207453 | None | 20 | Human | Binding | pAC50 | = | 4.6 | 4.6 | - | 0 | ChEMBL | 207 | 2 | 3 | 3 | 0.3 | N=C(N)NCC1COc2ccccc2O1 | 10.1038/s41467-023-40064-9 | |||
CHEMBL76725 | 207453 | None | 20 | Human | Binding | pAC50 | = | 4.6 | 4.6 | - | 0 | ChEMBL | 207 | 2 | 3 | 3 | 0.3 | N=C(N)NCC1COc2ccccc2O1 | 10.1038/s41467-023-40064-9 | |||
4417 | 55578 | None | 40 | Human | Binding | pAC50 | = | 4.6 | 4.6 | - | 1 | ChEMBL | 383 | 10 | 0 | 4 | 4.5 | CCN(CC)CCOC(=O)C(Cc1cccc2ccccc12)CC1CCCO1 | 10.1038/s41467-023-40064-9 | |||
CHEMBL1439099 | 55578 | None | 40 | Human | Binding | pAC50 | = | 4.6 | 4.6 | - | 1 | ChEMBL | 383 | 10 | 0 | 4 | 4.5 | CCN(CC)CCOC(=O)C(Cc1cccc2ccccc12)CC1CCCO1 | 10.1038/s41467-023-40064-9 | |||
CHEMBL1620794 | 55578 | None | 40 | Human | Binding | pAC50 | = | 4.6 | 4.6 | - | 1 | ChEMBL | 383 | 10 | 0 | 4 | 4.5 | CCN(CC)CCOC(=O)C(Cc1cccc2ccccc12)CC1CCCO1 | 10.1038/s41467-023-40064-9 | |||
CHEMBL4744444 | 216519 | None | 25 | Human | Binding | pAC50 | = | 4.6 | 4.6 | - | 0 | ChEMBL | None | None | None | CCCCCCCCCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](CC(N)=O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H]1C(=O)NCC(=O)N[C@@H](CCCN)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C)C(=O)N[C@@H](CC(=O)O)C(=O)NCC(=O)N[C@H](CO)C(=O)N[C@@H]([C@H](C)CC(=O)O)C(=O)N[C@@H](CC(=O)c2ccccc2N)C(=O)O[C@@H]1C | 10.1038/s41467-023-40064-9 | |||||
31101 | 729 | None | 28 | Human | Binding | pAC50 | = | 5.6 | 5.6 | -436 | 35 | 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 | |||
31101.0 | 729 | None | 28 | Human | Binding | pAC50 | = | 5.6 | 5.6 | -436 | 35 | 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 | None | 28 | Human | Binding | pAC50 | = | 5.6 | 5.6 | -436 | 35 | 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 | None | 28 | Human | Binding | pAC50 | = | 5.6 | 5.6 | -436 | 35 | 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 | None | 28 | Human | Binding | pAC50 | = | 5.6 | 5.6 | -436 | 35 | 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 | None | 28 | Human | Binding | pAC50 | = | 5.6 | 5.6 | -436 | 35 | 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 | |||
1613 | 2348 | None | 42 | Human | Binding | pAC50 | = | 7.6 | 7.6 | -4 | 44 | ChEMBL | 327 | 0 | 0 | 4 | 3.8 | CN1CCN(CC1)C1=Nc2ccccc2Oc2c1cc(Cl)cc2 | 10.1038/s41467-023-40064-9 | |||
205 | 2348 | None | 42 | Human | Binding | pAC50 | = | 7.6 | 7.6 | -4 | 44 | ChEMBL | 327 | 0 | 0 | 4 | 3.8 | CN1CCN(CC1)C1=Nc2ccccc2Oc2c1cc(Cl)cc2 | 10.1038/s41467-023-40064-9 | |||
3964 | 2348 | None | 42 | Human | Binding | pAC50 | = | 7.6 | 7.6 | -4 | 44 | ChEMBL | 327 | 0 | 0 | 4 | 3.8 | CN1CCN(CC1)C1=Nc2ccccc2Oc2c1cc(Cl)cc2 | 10.1038/s41467-023-40064-9 | |||
3964.0 | 2348 | None | 42 | Human | Binding | pAC50 | = | 7.6 | 7.6 | -4 | 44 | ChEMBL | 327 | 0 | 0 | 4 | 3.8 | CN1CCN(CC1)C1=Nc2ccccc2Oc2c1cc(Cl)cc2 | 10.1038/s41467-023-40064-9 | |||
CHEMBL831 | 2348 | None | 42 | Human | Binding | pAC50 | = | 7.6 | 7.6 | -4 | 44 | ChEMBL | 327 | 0 | 0 | 4 | 3.8 | CN1CCN(CC1)C1=Nc2ccccc2Oc2c1cc(Cl)cc2 | 10.1038/s41467-023-40064-9 | |||
DB00408 | 2348 | None | 42 | Human | Binding | pAC50 | = | 7.6 | 7.6 | -4 | 44 | ChEMBL | 327 | 0 | 0 | 4 | 3.8 | CN1CCN(CC1)C1=Nc2ccccc2Oc2c1cc(Cl)cc2 | 10.1038/s41467-023-40064-9 | |||
3627 | 44143 | None | 12 | Human | Binding | pAC50 | = | 5.6 | 5.6 | - | 0 | ChEMBL | 314 | 3 | 0 | 2 | 4.1 | CN1CCCN(C(c2ccccc2)c2ccc(Cl)cc2)CC1 | 10.1038/s41467-023-40064-9 | |||
CHEMBL1515447 | 44143 | None | 12 | Human | Binding | pAC50 | = | 5.6 | 5.6 | - | 0 | ChEMBL | 314 | 3 | 0 | 2 | 4.1 | CN1CCCN(C(c2ccccc2)c2ccc(Cl)cc2)CC1 | 10.1038/s41467-023-40064-9 | |||
93154 | 5438 | None | 24 | Human | Binding | pAC50 | = | 5.6 | 5.6 | - | 0 | ChEMBL | 304 | 1 | 0 | 2 | 4.0 | c1ccc2c(c1)CCc1ccccc1N2C1CN2CCC1CC2 | 10.1038/s41467-023-40064-9 | |||
CHEMBL107360 | 5438 | None | 24 | Human | Binding | pAC50 | = | 5.6 | 5.6 | - | 0 | ChEMBL | 304 | 1 | 0 | 2 | 4.0 | c1ccc2c(c1)CCc1ccccc1N2C1CN2CCC1CC2 | 10.1038/s41467-023-40064-9 | |||
16222096 | 80514 | None | 50 | Human | Binding | pAC50 | = | 4.6 | 4.6 | - | 0 | ChEMBL | 531 | 4 | 3 | 4 | 3.8 | O=C(c1ccc(F)c(F)c1Nc1ccc(I)cc1F)N1CC(O)([C@@H]2CCCCN2)C1 | 10.1038/s41467-023-40064-9 | |||
CHEMBL2146883 | 80514 | None | 50 | Human | Binding | pAC50 | = | 4.6 | 4.6 | - | 0 | ChEMBL | 531 | 4 | 3 | 4 | 3.8 | O=C(c1ccc(F)c(F)c1Nc1ccc(I)cc1F)N1CC(O)([C@@H]2CCCCN2)C1 | 10.1038/s41467-023-40064-9 | |||
1227 | 2489 | None | 32 | Human | Binding | pAC50 | = | 4.6 | 4.6 | - | 11 | ChEMBL | 285 | 7 | 0 | 4 | 2.7 | COc1ccc(cc1)CN(c1ccccn1)CCN(C)C | 10.1038/s41467-023-40064-9 | |||
2331 | 2489 | None | 32 | Human | Binding | pAC50 | = | 4.6 | 4.6 | - | 11 | ChEMBL | 285 | 7 | 0 | 4 | 2.7 | COc1ccc(cc1)CN(c1ccccn1)CCN(C)C | 10.1038/s41467-023-40064-9 | |||
3957 | 2489 | None | 32 | Human | Binding | pAC50 | = | 4.6 | 4.6 | - | 11 | ChEMBL | 285 | 7 | 0 | 4 | 2.7 | COc1ccc(cc1)CN(c1ccccn1)CCN(C)C | 10.1038/s41467-023-40064-9 | |||
4992 | 2489 | None | 32 | Human | Binding | pAC50 | = | 4.6 | 4.6 | - | 11 | ChEMBL | 285 | 7 | 0 | 4 | 2.7 | COc1ccc(cc1)CN(c1ccccn1)CCN(C)C | 10.1038/s41467-023-40064-9 | |||
4992.0 | 2489 | None | 32 | Human | Binding | pAC50 | = | 4.6 | 4.6 | - | 11 | ChEMBL | 285 | 7 | 0 | 4 | 2.7 | COc1ccc(cc1)CN(c1ccccn1)CCN(C)C | 10.1038/s41467-023-40064-9 | |||
CHEMBL511 | 2489 | None | 32 | Human | Binding | pAC50 | = | 4.6 | 4.6 | - | 11 | ChEMBL | 285 | 7 | 0 | 4 | 2.7 | COc1ccc(cc1)CN(c1ccccn1)CCN(C)C | 10.1038/s41467-023-40064-9 | |||
DB06691 | 2489 | None | 32 | Human | Binding | pAC50 | = | 4.6 | 4.6 | - | 11 | ChEMBL | 285 | 7 | 0 | 4 | 2.7 | COc1ccc(cc1)CN(c1ccccn1)CCN(C)C | 10.1038/s41467-023-40064-9 | |||
5022 | 1651 | None | 58 | Human | Binding | pAC50 | = | 5.6 | 5.6 | - | 9 | ChEMBL | 390 | 4 | 1 | 4 | 3.2 | O=c1[nH]c2c(n1CCN1CCN(CC1)c1cccc(c1)C(F)(F)F)cccc2 | 10.1038/s41467-023-40064-9 | |||
6918248 | 1651 | None | 58 | Human | Binding | pAC50 | = | 5.6 | 5.6 | - | 9 | ChEMBL | 390 | 4 | 1 | 4 | 3.2 | O=c1[nH]c2c(n1CCN1CCN(CC1)c1cccc(c1)C(F)(F)F)cccc2 | 10.1038/s41467-023-40064-9 | |||
6918248.0 | 1651 | None | 58 | Human | Binding | pAC50 | = | 5.6 | 5.6 | - | 9 | ChEMBL | 390 | 4 | 1 | 4 | 3.2 | O=c1[nH]c2c(n1CCN1CCN(CC1)c1cccc(c1)C(F)(F)F)cccc2 | 10.1038/s41467-023-40064-9 | |||
8182 | 1651 | None | 58 | Human | Binding | pAC50 | = | 5.6 | 5.6 | - | 9 | ChEMBL | 390 | 4 | 1 | 4 | 3.2 | O=c1[nH]c2c(n1CCN1CCN(CC1)c1cccc(c1)C(F)(F)F)cccc2 | 10.1038/s41467-023-40064-9 | |||
CHEMBL231068 | 1651 | None | 58 | Human | Binding | pAC50 | = | 5.6 | 5.6 | - | 9 | ChEMBL | 390 | 4 | 1 | 4 | 3.2 | O=c1[nH]c2c(n1CCN1CCN(CC1)c1cccc(c1)C(F)(F)F)cccc2 | 10.1038/s41467-023-40064-9 | |||
DB04908 | 1651 | None | 58 | Human | Binding | pAC50 | = | 5.6 | 5.6 | - | 9 | ChEMBL | 390 | 4 | 1 | 4 | 3.2 | O=c1[nH]c2c(n1CCN1CCN(CC1)c1cccc(c1)C(F)(F)F)cccc2 | 10.1038/s41467-023-40064-9 | |||
6077 | 150786 | None | 16 | Human | Binding | pAC50 | = | 7.6 | 7.6 | - | 0 | ChEMBL | 326 | 5 | 0 | 4 | 4.4 | CC(=O)c1ccc2c(c1)N(CCCN(C)C)c1ccccc1S2 | 10.1038/s41467-023-40064-9 | |||
CHEMBL39560 | 150786 | None | 16 | Human | Binding | pAC50 | = | 7.6 | 7.6 | - | 0 | ChEMBL | 326 | 5 | 0 | 4 | 4.4 | CC(=O)c1ccc2c(c1)N(CCCN(C)C)c1ccccc1S2 | 10.1038/s41467-023-40064-9 | |||
3561 | 19084 | None | 29 | Human | Binding | pAC50 | = | 5.6 | 5.6 | -1 | 11 | ChEMBL | 360 | 2 | 0 | 1 | 4.4 | Clc1cc(Cl)c(OCC#CI)cc1Cl | 10.1038/s41467-023-40064-9 | |||
CHEMBL1289 | 19084 | None | 29 | Human | Binding | pAC50 | = | 5.6 | 5.6 | -1 | 11 | ChEMBL | 360 | 2 | 0 | 1 | 4.4 | Clc1cc(Cl)c(OCC#CI)cc1Cl | 10.1038/s41467-023-40064-9 | |||
441383 | 20340 | None | 41 | Human | Binding | pAC50 | = | 4.6 | 4.6 | -44 | 17 | ChEMBL | 531 | 8 | 0 | 8 | 4.5 | CC(C)N1CCN(c2ccc(OC[C@H]3CO[C@](Cn4cncn4)(c4ccc(Cl)cc4Cl)O3)cc2)CC1 | 10.1038/s41467-023-40064-9 | |||
CHEMBL1306 | 20340 | None | 41 | Human | Binding | pAC50 | = | 4.6 | 4.6 | -44 | 17 | ChEMBL | 531 | 8 | 0 | 8 | 4.5 | CC(C)N1CCN(c2ccc(OC[C@H]3CO[C@](Cn4cncn4)(c4ccc(Cl)cc4Cl)O3)cc2)CC1 | 10.1038/s41467-023-40064-9 | |||
259329 | 60524 | None | 23 | Human | Binding | pAC50 | = | 4.6 | 4.6 | - | 0 | ChEMBL | 519 | 7 | 2 | 4 | 5.3 | C[C@]12CC[C@@H]3c4ccc(OC(=O)N(CCCl)CCCl)cc4CC[C@H]3[C@@H]1CC[C@@H]2OP(=O)(O)O | 10.1038/s41467-023-40064-9 | |||
CHEMBL1756 | 60524 | None | 23 | Human | Binding | pAC50 | = | 4.6 | 4.6 | - | 0 | ChEMBL | 519 | 7 | 2 | 4 | 5.3 | C[C@]12CC[C@@H]3c4ccc(OC(=O)N(CCCl)CCCl)cc4CC[C@H]3[C@@H]1CC[C@@H]2OP(=O)(O)O | 10.1038/s41467-023-40064-9 | |||
2181 | 3128 | None | 36 | Human | Binding | pAC50 | = | 6.6 | 6.6 | - | 34 | ChEMBL | 375 | 7 | 1 | 4 | 2.6 | O=C(c1ccc(cc1)F)CCCN1CCC(CC1)(N1CCCCC1)C(=O)N | 10.1038/s41467-023-40064-9 | |||
4830 | 3128 | None | 36 | Human | Binding | pAC50 | = | 6.6 | 6.6 | - | 34 | ChEMBL | 375 | 7 | 1 | 4 | 2.6 | O=C(c1ccc(cc1)F)CCCN1CCC(CC1)(N1CCCCC1)C(=O)N | 10.1038/s41467-023-40064-9 | |||
4830.0 | 3128 | None | 36 | Human | Binding | pAC50 | = | 6.6 | 6.6 | - | 34 | ChEMBL | 375 | 7 | 1 | 4 | 2.6 | O=C(c1ccc(cc1)F)CCCN1CCC(CC1)(N1CCCCC1)C(=O)N | 10.1038/s41467-023-40064-9 | |||
92 | 3128 | None | 36 | Human | Binding | pAC50 | = | 6.6 | 6.6 | - | 34 | ChEMBL | 375 | 7 | 1 | 4 | 2.6 | O=C(c1ccc(cc1)F)CCCN1CCC(CC1)(N1CCCCC1)C(=O)N | 10.1038/s41467-023-40064-9 | |||
CHEMBL440294 | 3128 | None | 36 | Human | Binding | pAC50 | = | 6.6 | 6.6 | - | 34 | ChEMBL | 375 | 7 | 1 | 4 | 2.6 | O=C(c1ccc(cc1)F)CCCN1CCC(CC1)(N1CCCCC1)C(=O)N | 10.1038/s41467-023-40064-9 | |||
DB09286 | 3128 | None | 36 | Human | Binding | pAC50 | = | 6.6 | 6.6 | - | 34 | ChEMBL | 375 | 7 | 1 | 4 | 2.6 | O=C(c1ccc(cc1)F)CCCN1CCC(CC1)(N1CCCCC1)C(=O)N | 10.1038/s41467-023-40064-9 | |||
27857 | 194644 | None | 25 | Human | Binding | pAC50 | = | 4.6 | 4.6 | - | 0 | ChEMBL | 341 | 5 | 0 | 5 | 3.3 | CN(C)CCCN1C(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc21 | 10.1038/s41467-023-40064-9 | |||
CHEMBL5291995 | 194644 | None | 25 | Human | Binding | pAC50 | = | 4.6 | 4.6 | - | 0 | ChEMBL | 341 | 5 | 0 | 5 | 3.3 | CN(C)CCCN1C(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc21 | 10.1038/s41467-023-40064-9 | |||
4098 | 32513 | None | 25 | Human | Binding | pAC50 | = | 4.6 | 4.6 | - | 11 | ChEMBL | 261 | 6 | 0 | 4 | 2.7 | CN(C)CCN(Cc1cccs1)c1ccccn1 | 10.1038/s41467-023-40064-9 | |||
CHEMBL1255739 | 32513 | None | 25 | Human | Binding | pAC50 | = | 4.6 | 4.6 | - | 11 | ChEMBL | 261 | 6 | 0 | 4 | 2.7 | CN(C)CCN(Cc1cccs1)c1ccccn1 | 10.1038/s41467-023-40064-9 | |||
CHEMBL1411979 | 32513 | None | 25 | Human | Binding | pAC50 | = | 4.6 | 4.6 | - | 11 | ChEMBL | 261 | 6 | 0 | 4 | 2.7 | CN(C)CCN(Cc1cccs1)c1ccccn1 | 10.1038/s41467-023-40064-9 | |||
1153 | 1628 | None | 36 | Human | Binding | pAC50 | = | 7.6 | 7.6 | -32 | 10 | ChEMBL | 305 | 1 | 4 | 4 | 2.7 | Oc1ccc(cc1)C1CNCCc2c1cc(O)c(c2Cl)O | 10.1038/s41467-023-40064-9 | |||
12668023 | 1628 | None | 36 | Human | Binding | pAC50 | = | 7.6 | 7.6 | -32 | 10 | ChEMBL | 305 | 1 | 4 | 4 | 2.7 | Oc1ccc(cc1)C1CNCCc2c1cc(O)c(c2Cl)O | 10.1038/s41467-023-40064-9 | |||
30026874 | 1628 | None | 36 | Human | Binding | pAC50 | = | 7.6 | 7.6 | -32 | 10 | ChEMBL | 305 | 1 | 4 | 4 | 2.7 | Oc1ccc(cc1)C1CNCCc2c1cc(O)c(c2Cl)O | 10.1038/s41467-023-40064-9 | |||
30026875 | 1628 | None | 36 | Human | Binding | pAC50 | = | 7.6 | 7.6 | -32 | 10 | ChEMBL | 305 | 1 | 4 | 4 | 2.7 | Oc1ccc(cc1)C1CNCCc2c1cc(O)c(c2Cl)O | 10.1038/s41467-023-40064-9 | |||
3341 | 1628 | None | 36 | Human | Binding | pAC50 | = | 7.6 | 7.6 | -32 | 10 | ChEMBL | 305 | 1 | 4 | 4 | 2.7 | Oc1ccc(cc1)C1CNCCc2c1cc(O)c(c2Cl)O | 10.1038/s41467-023-40064-9 | |||
3341.0 | 1628 | None | 36 | Human | Binding | pAC50 | = | 7.6 | 7.6 | -32 | 10 | ChEMBL | 305 | 1 | 4 | 4 | 2.7 | Oc1ccc(cc1)C1CNCCc2c1cc(O)c(c2Cl)O | 10.1038/s41467-023-40064-9 | |||
6603851 | 1628 | None | 36 | Human | Binding | pAC50 | = | 7.6 | 7.6 | -32 | 10 | ChEMBL | 305 | 1 | 4 | 4 | 2.7 | Oc1ccc(cc1)C1CNCCc2c1cc(O)c(c2Cl)O | 10.1038/s41467-023-40064-9 | |||
933 | 1628 | None | 36 | Human | Binding | pAC50 | = | 7.6 | 7.6 | -32 | 10 | ChEMBL | 305 | 1 | 4 | 4 | 2.7 | Oc1ccc(cc1)C1CNCCc2c1cc(O)c(c2Cl)O | 10.1038/s41467-023-40064-9 | |||
939 | 1628 | None | 36 | Human | Binding | pAC50 | = | 7.6 | 7.6 | -32 | 10 | ChEMBL | 305 | 1 | 4 | 4 | 2.7 | Oc1ccc(cc1)C1CNCCc2c1cc(O)c(c2Cl)O | 10.1038/s41467-023-40064-9 | |||
985 | 1628 | None | 36 | Human | Binding | pAC50 | = | 7.6 | 7.6 | -32 | 10 | ChEMBL | 305 | 1 | 4 | 4 | 2.7 | Oc1ccc(cc1)C1CNCCc2c1cc(O)c(c2Cl)O | 10.1038/s41467-023-40064-9 | |||
CHEMBL1160786 | 1628 | None | 36 | Human | Binding | pAC50 | = | 7.6 | 7.6 | -32 | 10 | ChEMBL | 305 | 1 | 4 | 4 | 2.7 | Oc1ccc(cc1)C1CNCCc2c1cc(O)c(c2Cl)O | 10.1038/s41467-023-40064-9 | |||
CHEMBL1161520 | 1628 | None | 36 | Human | Binding | pAC50 | = | 7.6 | 7.6 | -32 | 10 | ChEMBL | 305 | 1 | 4 | 4 | 2.7 | Oc1ccc(cc1)C1CNCCc2c1cc(O)c(c2Cl)O | 10.1038/s41467-023-40064-9 | |||
CHEMBL588 | 1628 | None | 36 | Human | Binding | pAC50 | = | 7.6 | 7.6 | -32 | 10 | ChEMBL | 305 | 1 | 4 | 4 | 2.7 | Oc1ccc(cc1)C1CNCCc2c1cc(O)c(c2Cl)O | 10.1038/s41467-023-40064-9 | |||
DB00800 | 1628 | None | 36 | Human | Binding | pAC50 | = | 7.6 | 7.6 | -32 | 10 | ChEMBL | 305 | 1 | 4 | 4 | 2.7 | Oc1ccc(cc1)C1CNCCc2c1cc(O)c(c2Cl)O | 10.1038/s41467-023-40064-9 | |||
4485 | 69401 | None | 70 | Human | Binding | pAC50 | = | 4.6 | 4.6 | - | 8 | ChEMBL | 346 | 4 | 1 | 7 | 2.2 | COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1ccccc1[N+](=O)[O-] | 10.1038/s41467-023-40064-9 | |||
CHEMBL193 | 69401 | None | 70 | Human | Binding | pAC50 | = | 4.6 | 4.6 | - | 8 | ChEMBL | 346 | 4 | 1 | 7 | 2.2 | COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1ccccc1[N+](=O)[O-] | 10.1038/s41467-023-40064-9 | |||
1190 | 882 | None | 32 | Human | Binding | pAC50 | = | 4.6 | 4.6 | - | 1 | ChEMBL | None | None | None | None | 10.1038/s41467-023-40064-9 | |||||
25074887 | 882 | None | 32 | Human | Binding | pAC50 | = | 4.6 | 4.6 | - | 1 | ChEMBL | None | None | None | None | 10.1038/s41467-023-40064-9 | |||||
25074887.0 | 882 | None | 32 | Human | Binding | pAC50 | = | 4.6 | 4.6 | - | 1 | ChEMBL | None | None | None | None | 10.1038/s41467-023-40064-9 | |||||
583 | 882 | None | 32 | Human | Binding | pAC50 | = | 4.6 | 4.6 | - | 1 | ChEMBL | None | None | None | None | 10.1038/s41467-023-40064-9 | |||||
CHEMBL1200490 | 882 | None | 32 | Human | Binding | pAC50 | = | 4.6 | 4.6 | - | 1 | ChEMBL | None | None | None | None | 10.1038/s41467-023-40064-9 | |||||
DB00050 | 882 | None | 32 | Human | Binding | pAC50 | = | 4.6 | 4.6 | - | 1 | ChEMBL | None | None | None | None | 10.1038/s41467-023-40064-9 | |||||
48041 | 107137 | None | 37 | Human | Binding | pAC50 | = | 4.6 | 4.6 | - | 0 | ChEMBL | 352 | 6 | 1 | 3 | 4.4 | COc1ccc(C(=O)Nc2ccccc2CCC2CCCCN2C)cc1 | 10.1038/s41467-023-40064-9 | |||
CHEMBL315838 | 107137 | None | 37 | Human | Binding | pAC50 | = | 4.6 | 4.6 | - | 0 | ChEMBL | 352 | 6 | 1 | 3 | 4.4 | COc1ccc(C(=O)Nc2ccccc2CCC2CCCCN2C)cc1 | 10.1038/s41467-023-40064-9 | |||
40 | 1547 | None | 36 | Human | Binding | pAC50 | = | 4.6 | 4.6 | - | 5 | ChEMBL | 382 | 6 | 1 | 3 | 3.8 | CN1CCC[C@@H]1Cc1c[nH]c2c1cc(cc2)CCS(=O)(=O)c1ccccc1 | 10.1038/s41467-023-40064-9 | |||
77993 | 1547 | None | 36 | Human | Binding | pAC50 | = | 4.6 | 4.6 | - | 5 | ChEMBL | 382 | 6 | 1 | 3 | 3.8 | CN1CCC[C@@H]1Cc1c[nH]c2c1cc(cc2)CCS(=O)(=O)c1ccccc1 | 10.1038/s41467-023-40064-9 | |||
77993.0 | 1547 | None | 36 | Human | Binding | pAC50 | = | 4.6 | 4.6 | - | 5 | ChEMBL | 382 | 6 | 1 | 3 | 3.8 | CN1CCC[C@@H]1Cc1c[nH]c2c1cc(cc2)CCS(=O)(=O)c1ccccc1 | 10.1038/s41467-023-40064-9 | |||
995 | 1547 | None | 36 | Human | Binding | pAC50 | = | 4.6 | 4.6 | - | 5 | ChEMBL | 382 | 6 | 1 | 3 | 3.8 | CN1CCC[C@@H]1Cc1c[nH]c2c1cc(cc2)CCS(=O)(=O)c1ccccc1 | 10.1038/s41467-023-40064-9 | |||
CHEMBL1510 | 1547 | None | 36 | Human | Binding | pAC50 | = | 4.6 | 4.6 | - | 5 | ChEMBL | 382 | 6 | 1 | 3 | 3.8 | CN1CCC[C@@H]1Cc1c[nH]c2c1cc(cc2)CCS(=O)(=O)c1ccccc1 | 10.1038/s41467-023-40064-9 | |||
DB00216 | 1547 | None | 36 | Human | Binding | pAC50 | = | 4.6 | 4.6 | - | 5 | ChEMBL | 382 | 6 | 1 | 3 | 3.8 | CN1CCC[C@@H]1Cc1c[nH]c2c1cc(cc2)CCS(=O)(=O)c1ccccc1 | 10.1038/s41467-023-40064-9 | |||
37464 | 19228 | None | 19 | Human | Binding | pAC50 | = | 4.6 | 4.6 | - | 4 | ChEMBL | 291 | 6 | 2 | 3 | 3.5 | CC(C)(C)NC[C@H](O)COc1ccccc1C1CCCC1 | 10.1038/s41467-023-40064-9 | |||
37464.0 | 19228 | None | 19 | Human | Binding | pAC50 | = | 4.6 | 4.6 | - | 4 | ChEMBL | 291 | 6 | 2 | 3 | 3.5 | CC(C)(C)NC[C@H](O)COc1ccccc1C1CCCC1 | 10.1038/s41467-023-40064-9 | |||
CHEMBL1290 | 19228 | None | 19 | Human | Binding | pAC50 | = | 4.6 | 4.6 | - | 4 | ChEMBL | 291 | 6 | 2 | 3 | 3.5 | CC(C)(C)NC[C@H](O)COc1ccccc1C1CCCC1 | 10.1038/s41467-023-40064-9 | |||
DB01359 | 19228 | None | 19 | Human | Binding | pAC50 | = | 4.6 | 4.6 | - | 4 | ChEMBL | 291 | 6 | 2 | 3 | 3.5 | CC(C)(C)NC[C@H](O)COc1ccccc1C1CCCC1 | 10.1038/s41467-023-40064-9 | |||
3584 | 3777 | None | 45 | Human | Binding | pAC50 | = | 4.6 | 4.6 | - | 14 | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1038/s41467-023-40064-9 | |||
5401 | 3777 | None | 45 | Human | Binding | pAC50 | = | 4.6 | 4.6 | - | 14 | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1038/s41467-023-40064-9 | |||
5401.0 | 3777 | None | 45 | Human | Binding | pAC50 | = | 4.6 | 4.6 | - | 14 | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1038/s41467-023-40064-9 | |||
7302 | 3777 | None | 45 | Human | Binding | pAC50 | = | 4.6 | 4.6 | - | 14 | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1038/s41467-023-40064-9 | |||
CHEMBL611 | 3777 | None | 45 | Human | Binding | pAC50 | = | 4.6 | 4.6 | - | 14 | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1038/s41467-023-40064-9 | |||
DB01162 | 3777 | None | 45 | Human | Binding | pAC50 | = | 4.6 | 4.6 | - | 14 | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1038/s41467-023-40064-9 | |||
3158 | 56283 | None | 21 | Human | Binding | pAC50 | = | 6.5 | 6.5 | -2398 | 20 | ChEMBL | 279 | 3 | 0 | 2 | 4.0 | CN(C)CCC=C1c2ccccc2COc2ccccc21 | 10.1038/s41467-023-40064-9 | |||
3158.0 | 56283 | None | 21 | Human | Binding | pAC50 | = | 6.5 | 6.5 | -2398 | 20 | ChEMBL | 279 | 3 | 0 | 2 | 4.0 | CN(C)CCC=C1c2ccccc2COc2ccccc21 | 10.1038/s41467-023-40064-9 | |||
CHEMBL1628227 | 56283 | None | 21 | Human | Binding | pAC50 | = | 6.5 | 6.5 | -2398 | 20 | ChEMBL | 279 | 3 | 0 | 2 | 4.0 | CN(C)CCC=C1c2ccccc2COc2ccccc21 | 10.1038/s41467-023-40064-9 | |||
DB01142 | 56283 | None | 21 | Human | Binding | pAC50 | = | 6.5 | 6.5 | -2398 | 20 | ChEMBL | 279 | 3 | 0 | 2 | 4.0 | CN(C)CCC=C1c2ccccc2COc2ccccc21 | 10.1038/s41467-023-40064-9 | |||
2237 | 3162 | None | 53 | Human | Binding | pAC50 | = | 5.5 | 5.5 | - | 3 | ChEMBL | 481 | 9 | 2 | 7 | 4.6 | O=C(c1ccc(cc1)OCCCCc1ccccc1)Nc1cccc2c1oc(cc2=O)c1[nH]nnn1 | 10.1038/s41467-023-40064-9 | |||
3634 | 3162 | None | 53 | Human | Binding | pAC50 | = | 5.5 | 5.5 | - | 3 | ChEMBL | 481 | 9 | 2 | 7 | 4.6 | O=C(c1ccc(cc1)OCCCCc1ccccc1)Nc1cccc2c1oc(cc2=O)c1[nH]nnn1 | 10.1038/s41467-023-40064-9 | |||
4887 | 3162 | None | 53 | Human | Binding | pAC50 | = | 5.5 | 5.5 | - | 3 | ChEMBL | 481 | 9 | 2 | 7 | 4.6 | O=C(c1ccc(cc1)OCCCCc1ccccc1)Nc1cccc2c1oc(cc2=O)c1[nH]nnn1 | 10.1038/s41467-023-40064-9 | |||
4887.0 | 3162 | None | 53 | Human | Binding | pAC50 | = | 5.5 | 5.5 | - | 3 | ChEMBL | 481 | 9 | 2 | 7 | 4.6 | O=C(c1ccc(cc1)OCCCCc1ccccc1)Nc1cccc2c1oc(cc2=O)c1[nH]nnn1 | 10.1038/s41467-023-40064-9 | |||
CHEMBL21333 | 3162 | None | 53 | Human | Binding | pAC50 | = | 5.5 | 5.5 | - | 3 | ChEMBL | 481 | 9 | 2 | 7 | 4.6 | O=C(c1ccc(cc1)OCCCCc1ccccc1)Nc1cccc2c1oc(cc2=O)c1[nH]nnn1 | 10.1038/s41467-023-40064-9 | |||
DB01411 | 3162 | None | 53 | Human | Binding | pAC50 | = | 5.5 | 5.5 | - | 3 | ChEMBL | 481 | 9 | 2 | 7 | 4.6 | O=C(c1ccc(cc1)OCCCCc1ccccc1)Nc1cccc2c1oc(cc2=O)c1[nH]nnn1 | 10.1038/s41467-023-40064-9 | |||
25025298 | 78180 | None | 37 | Human | Binding | pAC50 | = | 4.5 | 4.5 | - | 0 | ChEMBL | 546 | 8 | 3 | 8 | 4.5 | Cc1ccn(-c2cc(Cl)ccc2[C@@H](Oc2cc(-c3ccc(C[C@H](N)C(=O)O)cc3)nc(N)n2)C(F)(F)F)n1 | 10.1038/s41467-023-40064-9 | |||
CHEMBL2103855 | 78180 | None | 37 | Human | Binding | pAC50 | = | 4.5 | 4.5 | - | 0 | ChEMBL | 546 | 8 | 3 | 8 | 4.5 | Cc1ccn(-c2cc(Cl)ccc2[C@@H](Oc2cc(-c3ccc(C[C@H](N)C(=O)O)cc3)nc(N)n2)C(F)(F)F)n1 | 10.1038/s41467-023-40064-9 | |||
228 | 445 | None | 20 | Human | Binding | pAC50 | = | 5.5 | 5.5 | -35 | 24 | ChEMBL | 267 | 0 | 2 | 3 | 2.9 | CN1CCc2c3[C@H]1Cc1ccc(c(c1c3ccc2)O)O | 10.1038/s41467-023-40064-9 | |||
33 | 445 | None | 20 | Human | Binding | pAC50 | = | 5.5 | 5.5 | -35 | 24 | ChEMBL | 267 | 0 | 2 | 3 | 2.9 | CN1CCc2c3[C@H]1Cc1ccc(c(c1c3ccc2)O)O | 10.1038/s41467-023-40064-9 | |||
6005 | 445 | None | 20 | Human | Binding | pAC50 | = | 5.5 | 5.5 | -35 | 24 | ChEMBL | 267 | 0 | 2 | 3 | 2.9 | CN1CCc2c3[C@H]1Cc1ccc(c(c1c3ccc2)O)O | 10.1038/s41467-023-40064-9 | |||
6005.0 | 445 | None | 20 | Human | Binding | pAC50 | = | 5.5 | 5.5 | -35 | 24 | ChEMBL | 267 | 0 | 2 | 3 | 2.9 | CN1CCc2c3[C@H]1Cc1ccc(c(c1c3ccc2)O)O | 10.1038/s41467-023-40064-9 | |||
CHEMBL53 | 445 | None | 20 | Human | Binding | pAC50 | = | 5.5 | 5.5 | -35 | 24 | ChEMBL | 267 | 0 | 2 | 3 | 2.9 | CN1CCc2c3[C@H]1Cc1ccc(c(c1c3ccc2)O)O | 10.1038/s41467-023-40064-9 | |||
DB00714 | 445 | None | 20 | Human | Binding | pAC50 | = | 5.5 | 5.5 | -35 | 24 | ChEMBL | 267 | 0 | 2 | 3 | 2.9 | CN1CCc2c3[C@H]1Cc1ccc(c(c1c3ccc2)O)O | 10.1038/s41467-023-40064-9 | |||
9571107 | 167617 | None | 23 | Human | Binding | pAC50 | = | 4.5 | 4.5 | - | 0 | ChEMBL | 389 | 5 | 2 | 8 | 1.0 | CO/N=C1\CN(c2nc3c(cc2F)c(=O)c(C(=O)O)cn3C2CC2)CC1CN | 10.1038/s41467-023-40064-9 | |||
CHEMBL430 | 167617 | None | 23 | Human | Binding | pAC50 | = | 4.5 | 4.5 | - | 0 | ChEMBL | 389 | 5 | 2 | 8 | 1.0 | CO/N=C1\CN(c2nc3c(cc2F)c(=O)c(C(=O)O)cn3C2CC2)CC1CN | 10.1038/s41467-023-40064-9 | |||
2600 | 3779 | None | 53 | Human | Binding | pAC50 | = | 5.5 | 5.5 | -7 | 13 | 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 | None | 53 | Human | Binding | pAC50 | = | 5.5 | 5.5 | -7 | 13 | 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 | None | 53 | Human | Binding | pAC50 | = | 5.5 | 5.5 | -7 | 13 | 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 | None | 53 | Human | Binding | pAC50 | = | 5.5 | 5.5 | -7 | 13 | 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 | None | 53 | Human | Binding | pAC50 | = | 5.5 | 5.5 | -7 | 13 | 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 | |||
150311 | 9814 | None | 69 | Human | Binding | pAC50 | = | 4.5 | 4.5 | - | 0 | ChEMBL | 409 | 6 | 2 | 3 | 4.9 | O=C1[C@H](CC[C@H](O)c2ccc(F)cc2)[C@@H](c2ccc(O)cc2)N1c1ccc(F)cc1 | 10.1038/s41467-023-40064-9 | |||
CHEMBL1138 | 9814 | None | 69 | Human | Binding | pAC50 | = | 4.5 | 4.5 | - | 0 | ChEMBL | 409 | 6 | 2 | 3 | 4.9 | O=C1[C@H](CC[C@H](O)c2ccc(F)cc2)[C@@H](c2ccc(O)cc2)N1c1ccc(F)cc1 | 10.1038/s41467-023-40064-9 | |||
2444 | 14484 | None | 20 | Human | Binding | pAC50 | = | 5.5 | 5.5 | - | 2 | ChEMBL | 333 | 6 | 0 | 2 | 4.1 | CN(C)CCOC(c1ccccc1)c1ccc(Br)cc1 | 10.1038/s41467-023-40064-9 | |||
2444.0 | 14484 | None | 20 | Human | Binding | pAC50 | = | 5.5 | 5.5 | - | 2 | ChEMBL | 333 | 6 | 0 | 2 | 4.1 | CN(C)CCOC(c1ccccc1)c1ccc(Br)cc1 | 10.1038/s41467-023-40064-9 | |||
CHEMBL1201245 | 14484 | None | 20 | Human | Binding | pAC50 | = | 5.5 | 5.5 | - | 2 | ChEMBL | 333 | 6 | 0 | 2 | 4.1 | CN(C)CCOC(c1ccccc1)c1ccc(Br)cc1 | 10.1038/s41467-023-40064-9 | |||
DB01237 | 14484 | None | 20 | Human | Binding | pAC50 | = | 5.5 | 5.5 | - | 2 | ChEMBL | 333 | 6 | 0 | 2 | 4.1 | CN(C)CCOC(c1ccccc1)c1ccc(Br)cc1 | 10.1038/s41467-023-40064-9 | |||
2799 | 39807 | None | 44 | Human | Binding | pAC50 | = | 4.5 | 4.5 | - | 0 | ChEMBL | 364 | 4 | 1 | 1 | 7.0 | CC(C)(C)CC(C)(C)c1ccc(O)c(Cc2ccc(Cl)cc2Cl)c1 | 10.1038/s41467-023-40064-9 | |||
CHEMBL1476605 | 39807 | None | 44 | Human | Binding | pAC50 | = | 4.5 | 4.5 | - | 0 | ChEMBL | 364 | 4 | 1 | 1 | 7.0 | CC(C)(C)CC(C)(C)c1ccc(O)c(Cc2ccc(Cl)cc2Cl)c1 | 10.1038/s41467-023-40064-9 | |||
11154555 | 800 | None | 50 | Human | Binding | pAC50 | = | 5.5 | 5.5 | -2089 | 24 | ChEMBL | 426 | 5 | 1 | 3 | 4.3 | O=C(N(C)C)N[C@@H]1CC[C@H](CC1)CCN1CCN(CC1)c1cccc(c1Cl)Cl | 10.1038/s41467-023-40064-9 | |||
11154555.0 | 800 | None | 50 | Human | Binding | pAC50 | = | 5.5 | 5.5 | -2089 | 24 | ChEMBL | 426 | 5 | 1 | 3 | 4.3 | O=C(N(C)C)N[C@@H]1CC[C@H](CC1)CCN1CCN(CC1)c1cccc(c1Cl)Cl | 10.1038/s41467-023-40064-9 | |||
5037 | 800 | None | 50 | Human | Binding | pAC50 | = | 5.5 | 5.5 | -2089 | 24 | ChEMBL | 426 | 5 | 1 | 3 | 4.3 | O=C(N(C)C)N[C@@H]1CC[C@H](CC1)CCN1CCN(CC1)c1cccc(c1Cl)Cl | 10.1038/s41467-023-40064-9 | |||
7671 | 800 | None | 50 | Human | Binding | pAC50 | = | 5.5 | 5.5 | -2089 | 24 | ChEMBL | 426 | 5 | 1 | 3 | 4.3 | O=C(N(C)C)N[C@@H]1CC[C@H](CC1)CCN1CCN(CC1)c1cccc(c1Cl)Cl | 10.1038/s41467-023-40064-9 | |||
CHEMBL2028019 | 800 | None | 50 | Human | Binding | pAC50 | = | 5.5 | 5.5 | -2089 | 24 | ChEMBL | 426 | 5 | 1 | 3 | 4.3 | O=C(N(C)C)N[C@@H]1CC[C@H](CC1)CCN1CCN(CC1)c1cccc(c1Cl)Cl | 10.1038/s41467-023-40064-9 | |||
CHEMBL3085826 | 800 | None | 50 | Human | Binding | pAC50 | = | 5.5 | 5.5 | -2089 | 24 | ChEMBL | 426 | 5 | 1 | 3 | 4.3 | O=C(N(C)C)N[C@@H]1CC[C@H](CC1)CCN1CCN(CC1)c1cccc(c1Cl)Cl | 10.1038/s41467-023-40064-9 | |||
DB06016 | 800 | None | 50 | Human | Binding | pAC50 | = | 5.5 | 5.5 | -2089 | 24 | ChEMBL | 426 | 5 | 1 | 3 | 4.3 | O=C(N(C)C)N[C@@H]1CC[C@H](CC1)CCN1CCN(CC1)c1cccc(c1Cl)Cl | 10.1038/s41467-023-40064-9 | |||
11976 | 920 | None | 44 | Human | Binding | pAC50 | = | 8.5 | 8.5 | -12 | 23 | ChEMBL | 315 | 3 | 0 | 2 | 5.2 | CN(C)CC/C=C\1/c2ccccc2Sc2c1cc(cc2)Cl | 10.1038/s41467-023-40064-9 | |||
667467 | 920 | None | 44 | Human | Binding | pAC50 | = | 8.5 | 8.5 | -12 | 23 | ChEMBL | 315 | 3 | 0 | 2 | 5.2 | CN(C)CC/C=C\1/c2ccccc2Sc2c1cc(cc2)Cl | 10.1038/s41467-023-40064-9 | |||
667467.0 | 920 | None | 44 | Human | Binding | pAC50 | = | 8.5 | 8.5 | -12 | 23 | ChEMBL | 315 | 3 | 0 | 2 | 5.2 | CN(C)CC/C=C\1/c2ccccc2Sc2c1cc(cc2)Cl | 10.1038/s41467-023-40064-9 | |||
CHEMBL908 | 920 | None | 44 | Human | Binding | pAC50 | = | 8.5 | 8.5 | -12 | 23 | ChEMBL | 315 | 3 | 0 | 2 | 5.2 | CN(C)CC/C=C\1/c2ccccc2Sc2c1cc(cc2)Cl | 10.1038/s41467-023-40064-9 | |||
DB01239 | 920 | None | 44 | Human | Binding | pAC50 | = | 8.5 | 8.5 | -12 | 23 | ChEMBL | 315 | 3 | 0 | 2 | 5.2 | CN(C)CC/C=C\1/c2ccccc2Sc2c1cc(cc2)Cl | 10.1038/s41467-023-40064-9 | |||
2865 | 4143 | None | 47 | Human | Binding | pAC50 | = | 8.5 | 8.5 | -114 | 53 | 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 | None | 47 | Human | Binding | pAC50 | = | 8.5 | 8.5 | -114 | 53 | 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 | None | 47 | Human | Binding | pAC50 | = | 8.5 | 8.5 | -114 | 53 | ChEMBL | 412 | 4 | 1 | 5 | 3.8 | O=C1Nc2c(C1)cc(c(c2)Cl)CCN1CCN(CC1)c1nsc2c1cccc2 | 10.1038/s41467-023-40064-9 | |||
60854.0 | 4143 | None | 47 | Human | Binding | pAC50 | = | 8.5 | 8.5 | -114 | 53 | 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 | None | 47 | Human | Binding | pAC50 | = | 8.5 | 8.5 | -114 | 53 | 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 | None | 47 | Human | Binding | pAC50 | = | 8.5 | 8.5 | -114 | 53 | ChEMBL | 412 | 4 | 1 | 5 | 3.8 | O=C1Nc2c(C1)cc(c(c2)Cl)CCN1CCN(CC1)c1nsc2c1cccc2 | 10.1038/s41467-023-40064-9 | |||
CHEMBL4743867 | 216518 | None | 10 | Human | Binding | pAC50 | = | 8.5 | 8.5 | - | 0 | ChEMBL | None | None | None | OCCN1CCN(CCC=C2c3ccccc3Sc3ccc(C(F)(F)F)cc32)CC1 | 10.1038/s41467-023-40064-9 | |||||
3158 | 56283 | None | 21 | Human | Binding | pAC50 | = | 6.5 | 6.5 | -2398 | 20 | ChEMBL | 279 | 3 | 0 | 2 | 4.0 | CN(C)CCC=C1c2ccccc2COc2ccccc21 | 10.1038/s41467-023-40064-9 | |||
3158.0 | 56283 | None | 21 | Human | Binding | pAC50 | = | 6.5 | 6.5 | -2398 | 20 | ChEMBL | 279 | 3 | 0 | 2 | 4.0 | CN(C)CCC=C1c2ccccc2COc2ccccc21 | 10.1038/s41467-023-40064-9 | |||
CHEMBL1628227 | 56283 | None | 21 | Human | Binding | pAC50 | = | 6.5 | 6.5 | -2398 | 20 | ChEMBL | 279 | 3 | 0 | 2 | 4.0 | CN(C)CCC=C1c2ccccc2COc2ccccc21 | 10.1038/s41467-023-40064-9 | |||
DB01142 | 56283 | None | 21 | Human | Binding | pAC50 | = | 6.5 | 6.5 | -2398 | 20 | ChEMBL | 279 | 3 | 0 | 2 | 4.0 | CN(C)CCC=C1c2ccccc2COc2ccccc21 | 10.1038/s41467-023-40064-9 | |||
277 | 1301 | None | 39 | Human | Binding | pAC50 | = | 7.5 | 7.5 | -33 | 49 | ChEMBL | 287 | 0 | 0 | 1 | 4.7 | CN1CCC(=C2c3ccccc3C=Cc3c2cccc3)CC1 | 10.1038/s41467-023-40064-9 | |||
2913 | 1301 | None | 39 | Human | Binding | pAC50 | = | 7.5 | 7.5 | -33 | 49 | ChEMBL | 287 | 0 | 0 | 1 | 4.7 | CN1CCC(=C2c3ccccc3C=Cc3c2cccc3)CC1 | 10.1038/s41467-023-40064-9 | |||
2913.0 | 1301 | None | 39 | Human | Binding | pAC50 | = | 7.5 | 7.5 | -33 | 49 | ChEMBL | 287 | 0 | 0 | 1 | 4.7 | CN1CCC(=C2c3ccccc3C=Cc3c2cccc3)CC1 | 10.1038/s41467-023-40064-9 | |||
765 | 1301 | None | 39 | Human | Binding | pAC50 | = | 7.5 | 7.5 | -33 | 49 | ChEMBL | 287 | 0 | 0 | 1 | 4.7 | CN1CCC(=C2c3ccccc3C=Cc3c2cccc3)CC1 | 10.1038/s41467-023-40064-9 | |||
CHEMBL516 | 1301 | None | 39 | Human | Binding | pAC50 | = | 7.5 | 7.5 | -33 | 49 | ChEMBL | 287 | 0 | 0 | 1 | 4.7 | CN1CCC(=C2c3ccccc3C=Cc3c2cccc3)CC1 | 10.1038/s41467-023-40064-9 | |||
DB00434 | 1301 | None | 39 | Human | Binding | pAC50 | = | 7.5 | 7.5 | -33 | 49 | ChEMBL | 287 | 0 | 0 | 1 | 4.7 | CN1CCC(=C2c3ccccc3C=Cc3c2cccc3)CC1 | 10.1038/s41467-023-40064-9 | |||
1427 | 2013 | None | 42 | Human | Binding | pAC50 | = | 5.5 | 5.5 | -977 | 26 | ChEMBL | 280 | 4 | 0 | 2 | 3.9 | CN(CCCN1c2ccccc2CCc2c1cccc2)C | 10.1038/s41467-023-40064-9 | |||
357 | 2013 | None | 42 | Human | Binding | pAC50 | = | 5.5 | 5.5 | -977 | 26 | ChEMBL | 280 | 4 | 0 | 2 | 3.9 | CN(CCCN1c2ccccc2CCc2c1cccc2)C | 10.1038/s41467-023-40064-9 | |||
3696 | 2013 | None | 42 | Human | Binding | pAC50 | = | 5.5 | 5.5 | -977 | 26 | ChEMBL | 280 | 4 | 0 | 2 | 3.9 | CN(CCCN1c2ccccc2CCc2c1cccc2)C | 10.1038/s41467-023-40064-9 | |||
CHEMBL11 | 2013 | None | 42 | Human | Binding | pAC50 | = | 5.5 | 5.5 | -977 | 26 | ChEMBL | 280 | 4 | 0 | 2 | 3.9 | CN(CCCN1c2ccccc2CCc2c1cccc2)C | 10.1038/s41467-023-40064-9 | |||
DB00458 | 2013 | None | 42 | Human | Binding | pAC50 | = | 5.5 | 5.5 | -977 | 26 | ChEMBL | 280 | 4 | 0 | 2 | 3.9 | CN(CCCN1c2ccccc2CCc2c1cccc2)C | 10.1038/s41467-023-40064-9 | |||
15387 | 45836 | None | 41 | Human | Binding | pAC50 | = | 6.5 | 6.5 | - | 23 | ChEMBL | 263 | 5 | 0 | 2 | 3.5 | CC1CCN(CCCC(=O)c2ccc(F)cc2)CC1 | 10.1038/s41467-023-40064-9 | |||
CHEMBL1531134 | 45836 | None | 41 | Human | Binding | pAC50 | = | 6.5 | 6.5 | - | 23 | ChEMBL | 263 | 5 | 0 | 2 | 3.5 | CC1CCN(CCCC(=O)c2ccc(F)cc2)CC1 | 10.1038/s41467-023-40064-9 | |||
2286 | 3183 | None | 36 | Human | Binding | pAC50 | = | 5.5 | 5.5 | -40 | 29 | ChEMBL | 284 | 3 | 0 | 3 | 4.2 | CN(C(CN1c2ccccc2Sc2c1cccc2)C)C | 10.1038/s41467-023-40064-9 | |||
4927 | 3183 | None | 36 | Human | Binding | pAC50 | = | 5.5 | 5.5 | -40 | 29 | ChEMBL | 284 | 3 | 0 | 3 | 4.2 | CN(C(CN1c2ccccc2Sc2c1cccc2)C)C | 10.1038/s41467-023-40064-9 | |||
4927.0 | 3183 | None | 36 | Human | Binding | pAC50 | = | 5.5 | 5.5 | -40 | 29 | ChEMBL | 284 | 3 | 0 | 3 | 4.2 | CN(C(CN1c2ccccc2Sc2c1cccc2)C)C | 10.1038/s41467-023-40064-9 | |||
7282 | 3183 | None | 36 | Human | Binding | pAC50 | = | 5.5 | 5.5 | -40 | 29 | ChEMBL | 284 | 3 | 0 | 3 | 4.2 | CN(C(CN1c2ccccc2Sc2c1cccc2)C)C | 10.1038/s41467-023-40064-9 | |||
CHEMBL643 | 3183 | None | 36 | Human | Binding | pAC50 | = | 5.5 | 5.5 | -40 | 29 | ChEMBL | 284 | 3 | 0 | 3 | 4.2 | CN(C(CN1c2ccccc2Sc2c1cccc2)C)C | 10.1038/s41467-023-40064-9 | |||
DB01069 | 3183 | None | 36 | Human | Binding | pAC50 | = | 5.5 | 5.5 | -40 | 29 | ChEMBL | 284 | 3 | 0 | 3 | 4.2 | CN(C(CN1c2ccccc2Sc2c1cccc2)C)C | 10.1038/s41467-023-40064-9 | |||
124087 | 1389 | None | 72 | Human | Binding | pAC50 | = | 5.5 | 5.5 | - | 15 | ChEMBL | 310 | 0 | 1 | 2 | 4.0 | Clc1ccc2c(c1)CCc1c(C2=C2CCNCC2)nccc1 | 10.1038/s41467-023-40064-9 | |||
124087.0 | 1389 | None | 72 | Human | Binding | pAC50 | = | 5.5 | 5.5 | - | 15 | ChEMBL | 310 | 0 | 1 | 2 | 4.0 | Clc1ccc2c(c1)CCc1c(C2=C2CCNCC2)nccc1 | 10.1038/s41467-023-40064-9 | |||
7157 | 1389 | None | 72 | Human | Binding | pAC50 | = | 5.5 | 5.5 | - | 15 | ChEMBL | 310 | 0 | 1 | 2 | 4.0 | Clc1ccc2c(c1)CCc1c(C2=C2CCNCC2)nccc1 | 10.1038/s41467-023-40064-9 | |||
814 | 1389 | None | 72 | Human | Binding | pAC50 | = | 5.5 | 5.5 | - | 15 | ChEMBL | 310 | 0 | 1 | 2 | 4.0 | Clc1ccc2c(c1)CCc1c(C2=C2CCNCC2)nccc1 | 10.1038/s41467-023-40064-9 | |||
CHEMBL1172 | 1389 | None | 72 | Human | Binding | pAC50 | = | 5.5 | 5.5 | - | 15 | ChEMBL | 310 | 0 | 1 | 2 | 4.0 | Clc1ccc2c(c1)CCc1c(C2=C2CCNCC2)nccc1 | 10.1038/s41467-023-40064-9 | |||
DB00967 | 1389 | None | 72 | Human | Binding | pAC50 | = | 5.5 | 5.5 | - | 15 | ChEMBL | 310 | 0 | 1 | 2 | 4.0 | Clc1ccc2c(c1)CCc1c(C2=C2CCNCC2)nccc1 | 10.1038/s41467-023-40064-9 | |||
2105 | 3054 | None | 28 | Human | Binding | pAC50 | = | 5.5 | 5.5 | -537 | 33 | 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 | None | 28 | Human | Binding | pAC50 | = | 5.5 | 5.5 | -537 | 33 | 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 | None | 28 | Human | Binding | pAC50 | = | 5.5 | 5.5 | -537 | 33 | 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 | None | 28 | Human | Binding | pAC50 | = | 5.5 | 5.5 | -537 | 33 | 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 | None | 28 | Human | Binding | pAC50 | = | 5.5 | 5.5 | -537 | 33 | 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 | |||
9571107 | 167617 | None | 23 | Human | Binding | pAC50 | = | 5.4 | 5.4 | - | 0 | ChEMBL | 389 | 5 | 2 | 8 | 1.0 | CO/N=C1\CN(c2nc3c(cc2F)c(=O)c(C(=O)O)cn3C2CC2)CC1CN | 10.1038/s41467-023-40064-9 | |||
CHEMBL430 | 167617 | None | 23 | Human | Binding | pAC50 | = | 5.4 | 5.4 | - | 0 | ChEMBL | 389 | 5 | 2 | 8 | 1.0 | CO/N=C1\CN(c2nc3c(cc2F)c(=O)c(C(=O)O)cn3C2CC2)CC1CN | 10.1038/s41467-023-40064-9 | |||
3678 | 94845 | None | 37 | Human | Binding | pAC50 | = | 5.4 | 5.4 | - | 0 | ChEMBL | 281 | 9 | 0 | 1 | 4.6 | CCN(CCCc1ccccc1)CCCc1ccccc1 | 10.1038/s41467-023-40064-9 | |||
3678.0 | 94845 | None | 37 | Human | Binding | pAC50 | = | 5.4 | 5.4 | - | 0 | ChEMBL | 281 | 9 | 0 | 1 | 4.6 | CCN(CCCc1ccccc1)CCCc1ccccc1 | 10.1038/s41467-023-40064-9 | |||
CHEMBL253371 | 94845 | None | 37 | Human | Binding | pAC50 | = | 5.4 | 5.4 | - | 0 | ChEMBL | 281 | 9 | 0 | 1 | 4.6 | CCN(CCCc1ccccc1)CCCc1ccccc1 | 10.1038/s41467-023-40064-9 | |||
DB01616 | 94845 | None | 37 | Human | Binding | pAC50 | = | 5.4 | 5.4 | - | 0 | ChEMBL | 281 | 9 | 0 | 1 | 4.6 | CCN(CCCc1ccccc1)CCCc1ccccc1 | 10.1038/s41467-023-40064-9 | |||
2335 | 11852 | None | 18 | Human | Binding | pAC50 | = | 5.4 | 5.4 | - | 12 | ChEMBL | 412 | 11 | 0 | 2 | 6.1 | CC(C)(C)CC(C)(C)c1ccc(OCCOCC[N+](C)(C)Cc2ccccc2)cc1 | 10.1038/s41467-023-40064-9 | |||
8478 | 11852 | None | 18 | Human | Binding | pAC50 | = | 5.4 | 5.4 | - | 12 | ChEMBL | 412 | 11 | 0 | 2 | 6.1 | CC(C)(C)CC(C)(C)c1ccc(OCCOCC[N+](C)(C)Cc2ccccc2)cc1 | 10.1038/s41467-023-40064-9 | |||
CHEMBL1182210 | 11852 | None | 18 | Human | Binding | pAC50 | = | 5.4 | 5.4 | - | 12 | ChEMBL | 412 | 11 | 0 | 2 | 6.1 | CC(C)(C)CC(C)(C)c1ccc(OCCOCC[N+](C)(C)Cc2ccccc2)cc1 | 10.1038/s41467-023-40064-9 | |||
CHEMBL221753 | 11852 | None | 18 | Human | Binding | pAC50 | = | 5.4 | 5.4 | - | 12 | ChEMBL | 412 | 11 | 0 | 2 | 6.1 | CC(C)(C)CC(C)(C)c1ccc(OCCOCC[N+](C)(C)Cc2ccccc2)cc1 | 10.1038/s41467-023-40064-9 | |||
54758501 | 139154 | None | 52 | Human | Binding | pAC50 | = | 5.4 | 5.4 | - | 0 | ChEMBL | 486 | 7 | 2 | 8 | 5.1 | C=CC(=O)Nc1cccc(Oc2nc(Nc3ccc(N4CCN(C)CC4)cc3)nc3ccsc23)c1 | 10.1038/s41467-023-40064-9 | |||
CHEMBL3786343 | 139154 | None | 52 | Human | Binding | pAC50 | = | 5.4 | 5.4 | - | 0 | ChEMBL | 486 | 7 | 2 | 8 | 5.1 | C=CC(=O)Nc1cccc(Oc2nc(Nc3ccc(N4CCN(C)CC4)cc3)nc3ccsc23)c1 | 10.1038/s41467-023-40064-9 | |||
71109 | 78235 | None | 5 | Human | Binding | pAC50 | = | 5.4 | 5.4 | - | 0 | ChEMBL | 272 | 4 | 1 | 4 | 2.9 | OC(CN1CCCCC1)c1cc(-c2ccccc2)on1 | 10.1038/s41467-023-40064-9 | |||
CHEMBL2105453 | 78235 | None | 5 | Human | Binding | pAC50 | = | 5.4 | 5.4 | - | 0 | ChEMBL | 272 | 4 | 1 | 4 | 2.9 | OC(CN1CCCCC1)c1cc(-c2ccccc2)on1 | 10.1038/s41467-023-40064-9 | |||
1971 | 2866 | None | 32 | Human | Binding | pAC50 | = | 6.4 | 6.4 | -6 | 29 | ChEMBL | 263 | 3 | 1 | 1 | 3.8 | CNCCC=C1c2ccccc2CCc2c1cccc2 | 10.1038/s41467-023-40064-9 | |||
2404 | 2866 | None | 32 | Human | Binding | pAC50 | = | 6.4 | 6.4 | -6 | 29 | ChEMBL | 263 | 3 | 1 | 1 | 3.8 | CNCCC=C1c2ccccc2CCc2c1cccc2 | 10.1038/s41467-023-40064-9 | |||
4543 | 2866 | None | 32 | Human | Binding | pAC50 | = | 6.4 | 6.4 | -6 | 29 | ChEMBL | 263 | 3 | 1 | 1 | 3.8 | CNCCC=C1c2ccccc2CCc2c1cccc2 | 10.1038/s41467-023-40064-9 | |||
4543.0 | 2866 | None | 32 | Human | Binding | pAC50 | = | 6.4 | 6.4 | -6 | 29 | ChEMBL | 263 | 3 | 1 | 1 | 3.8 | CNCCC=C1c2ccccc2CCc2c1cccc2 | 10.1038/s41467-023-40064-9 | |||
CHEMBL445 | 2866 | None | 32 | Human | Binding | pAC50 | = | 6.4 | 6.4 | -6 | 29 | ChEMBL | 263 | 3 | 1 | 1 | 3.8 | CNCCC=C1c2ccccc2CCc2c1cccc2 | 10.1038/s41467-023-40064-9 | |||
DB00540 | 2866 | None | 32 | Human | Binding | pAC50 | = | 6.4 | 6.4 | -6 | 29 | ChEMBL | 263 | 3 | 1 | 1 | 3.8 | CNCCC=C1c2ccccc2CCc2c1cccc2 | 10.1038/s41467-023-40064-9 | |||
2389 | 3331 | None | 72 | Human | Binding | pAC50 | = | 7.4 | 7.4 | -478 | 67 | 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 | None | 72 | Human | Binding | pAC50 | = | 7.4 | 7.4 | -478 | 67 | ChEMBL | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | 10.1038/s41467-023-40064-9 | |||
5073.0 | 3331 | None | 72 | Human | Binding | pAC50 | = | 7.4 | 7.4 | -478 | 67 | 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 | None | 72 | Human | Binding | pAC50 | = | 7.4 | 7.4 | -478 | 67 | 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 | None | 72 | Human | Binding | pAC50 | = | 7.4 | 7.4 | -478 | 67 | 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 | None | 72 | Human | Binding | pAC50 | = | 7.4 | 7.4 | -478 | 67 | ChEMBL | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | 10.1038/s41467-023-40064-9 | |||
2771 | 197264 | None | 50 | Human | Binding | pAC50 | = | 5.4 | 5.4 | -120 | 26 | ChEMBL | 324 | 5 | 0 | 3 | 3.8 | CN(C)CCCC1(c2ccc(F)cc2)OCc2cc(C#N)ccc21 | 10.1038/s41467-023-40064-9 | |||
CHEMBL1200781 | 197264 | None | 50 | Human | Binding | pAC50 | = | 5.4 | 5.4 | -120 | 26 | ChEMBL | 324 | 5 | 0 | 3 | 3.8 | CN(C)CCCC1(c2ccc(F)cc2)OCc2cc(C#N)ccc21 | 10.1038/s41467-023-40064-9 | |||
CHEMBL549 | 197264 | None | 50 | Human | Binding | pAC50 | = | 5.4 | 5.4 | -120 | 26 | ChEMBL | 324 | 5 | 0 | 3 | 3.8 | CN(C)CCCC1(c2ccc(F)cc2)OCc2cc(C#N)ccc21 | 10.1038/s41467-023-40064-9 | |||
34040 | 28093 | None | 52 | Human | Binding | pAC50 | = | 6.4 | 6.4 | - | 0 | ChEMBL | 483 | 4 | 0 | 6 | 3.9 | CO[C@]12C[C@@H](COC(=O)c3cncc(Br)c3)CN(C)[C@@H]1Cc1cn(C)c3cccc2c13 | 10.1038/s41467-023-40064-9 | |||
34040.0 | 28093 | None | 52 | Human | Binding | pAC50 | = | 6.4 | 6.4 | - | 0 | ChEMBL | 483 | 4 | 0 | 6 | 3.9 | CO[C@]12C[C@@H](COC(=O)c3cncc(Br)c3)CN(C)[C@@H]1Cc1cn(C)c3cccc2c13 | 10.1038/s41467-023-40064-9 | |||
CHEMBL1372950 | 28093 | None | 52 | Human | Binding | pAC50 | = | 6.4 | 6.4 | - | 0 | ChEMBL | 483 | 4 | 0 | 6 | 3.9 | CO[C@]12C[C@@H](COC(=O)c3cncc(Br)c3)CN(C)[C@@H]1Cc1cn(C)c3cccc2c13 | 10.1038/s41467-023-40064-9 | |||
DB00699 | 28093 | None | 52 | Human | Binding | pAC50 | = | 6.4 | 6.4 | - | 0 | ChEMBL | 483 | 4 | 0 | 6 | 3.9 | CO[C@]12C[C@@H](COC(=O)c3cncc(Br)c3)CN(C)[C@@H]1Cc1cn(C)c3cccc2c13 | 10.1038/s41467-023-40064-9 | |||
2865 | 4143 | None | 47 | Human | Binding | pAC50 | = | 8.4 | 8.4 | -114 | 53 | 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 | None | 47 | Human | Binding | pAC50 | = | 8.4 | 8.4 | -114 | 53 | 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 | None | 47 | Human | Binding | pAC50 | = | 8.4 | 8.4 | -114 | 53 | ChEMBL | 412 | 4 | 1 | 5 | 3.8 | O=C1Nc2c(C1)cc(c(c2)Cl)CCN1CCN(CC1)c1nsc2c1cccc2 | 10.1038/s41467-023-40064-9 | |||
60854.0 | 4143 | None | 47 | Human | Binding | pAC50 | = | 8.4 | 8.4 | -114 | 53 | 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 | None | 47 | Human | Binding | pAC50 | = | 8.4 | 8.4 | -114 | 53 | 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 | None | 47 | Human | Binding | pAC50 | = | 8.4 | 8.4 | -114 | 53 | ChEMBL | 412 | 4 | 1 | 5 | 3.8 | O=C1Nc2c(C1)cc(c(c2)Cl)CCN1CCN(CC1)c1nsc2c1cccc2 | 10.1038/s41467-023-40064-9 | |||
2601 | 3780 | None | 25 | Human | Binding | pAC50 | = | 6.4 | 6.4 | -16 | 21 | 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 | None | 25 | Human | Binding | pAC50 | = | 6.4 | 6.4 | -16 | 21 | 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 | None | 25 | Human | Binding | pAC50 | = | 6.4 | 6.4 | -16 | 21 | 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 | None | 25 | Human | Binding | pAC50 | = | 6.4 | 6.4 | -16 | 21 | 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 | None | 25 | Human | Binding | pAC50 | = | 6.4 | 6.4 | -16 | 21 | 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 | |||
12555 | 17968 | None | 39 | Human | Binding | pAC50 | = | 5.4 | 5.4 | - | 0 | ChEMBL | 309 | 7 | 0 | 4 | 3.4 | CN(C)CCCOc1nn(Cc2ccccc2)c2ccccc12 | 10.1038/s41467-023-40064-9 | |||
CHEMBL12610 | 17968 | None | 39 | Human | Binding | pAC50 | = | 5.4 | 5.4 | - | 0 | ChEMBL | 309 | 7 | 0 | 4 | 3.4 | CN(C)CCCOc1nn(Cc2ccccc2)c2ccccc12 | 10.1038/s41467-023-40064-9 | |||
11167602 | 70484 | None | 73 | Human | Binding | pAC50 | = | 5.4 | 5.4 | - | 0 | ChEMBL | 482 | 5 | 3 | 4 | 5.7 | CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)c(F)c2)ccn1 | 10.1038/s41467-023-40064-9 | |||
CHEMBL1946170 | 70484 | None | 73 | Human | Binding | pAC50 | = | 5.4 | 5.4 | - | 0 | ChEMBL | 482 | 5 | 3 | 4 | 5.7 | CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)c(F)c2)ccn1 | 10.1038/s41467-023-40064-9 | |||
1548955 | 88615 | None | 14 | Human | Binding | pAC50 | = | 5.4 | 5.4 | - | 18 | ChEMBL | 405 | 9 | 0 | 2 | 6.6 | CCN(CC)CCOc1ccc(C(=C(Cl)c2ccccc2)c2ccccc2)cc1 | 10.1038/s41467-023-40064-9 | |||
2800 | 88615 | None | 14 | Human | Binding | pAC50 | = | 5.4 | 5.4 | - | 18 | ChEMBL | 405 | 9 | 0 | 2 | 6.6 | CCN(CC)CCOc1ccc(C(=C(Cl)c2ccccc2)c2ccccc2)cc1 | 10.1038/s41467-023-40064-9 | |||
CHEMBL2355051 | 88615 | None | 14 | Human | Binding | pAC50 | = | 5.4 | 5.4 | - | 18 | ChEMBL | 405 | 9 | 0 | 2 | 6.6 | CCN(CC)CCOc1ccc(C(=C(Cl)c2ccccc2)c2ccccc2)cc1 | 10.1038/s41467-023-40064-9 | |||
1212 | 1662 | None | 37 | Human | Binding | pAC50 | = | 7.4 | 7.4 | -51 | 65 | ChEMBL | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | 10.1038/s41467-023-40064-9 | |||
204 | 1662 | None | 37 | Human | Binding | pAC50 | = | 7.4 | 7.4 | -51 | 65 | ChEMBL | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | 10.1038/s41467-023-40064-9 | |||
3372 | 1662 | None | 37 | Human | Binding | pAC50 | = | 7.4 | 7.4 | -51 | 65 | ChEMBL | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | 10.1038/s41467-023-40064-9 | |||
3372.0 | 1662 | None | 37 | Human | Binding | pAC50 | = | 7.4 | 7.4 | -51 | 65 | ChEMBL | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | 10.1038/s41467-023-40064-9 | |||
CHEMBL726 | 1662 | None | 37 | Human | Binding | pAC50 | = | 7.4 | 7.4 | -51 | 65 | ChEMBL | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | 10.1038/s41467-023-40064-9 | |||
DB00623 | 1662 | None | 37 | Human | Binding | pAC50 | = | 7.4 | 7.4 | -51 | 65 | ChEMBL | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | 10.1038/s41467-023-40064-9 | |||
25102847 | 78250 | None | 62 | Human | Binding | pAC50 | = | 5.4 | 5.4 | - | 0 | ChEMBL | 501 | 8 | 2 | 6 | 5.5 | COc1cc2nccc(Oc3ccc(NC(=O)C4(C(=O)Nc5ccc(F)cc5)CC4)cc3)c2cc1OC | 10.1038/s41467-023-40064-9 | |||
CHEMBL2105717 | 78250 | None | 62 | Human | Binding | pAC50 | = | 5.4 | 5.4 | - | 0 | ChEMBL | 501 | 8 | 2 | 6 | 5.5 | COc1cc2nccc(Oc3ccc(NC(=O)C4(C(=O)Nc5ccc(F)cc5)CC4)cc3)c2cc1OC | 10.1038/s41467-023-40064-9 | |||
1588 | 2325 | None | 21 | Human | Binding | pAC50 | = | 7.3 | 7.3 | -57 | 43 | 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 | 10.1038/s41467-023-40064-9 | |||
28864 | 2325 | None | 21 | Human | Binding | pAC50 | = | 7.3 | 7.3 | -57 | 43 | 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 | 10.1038/s41467-023-40064-9 | |||
28864.0 | 2325 | None | 21 | Human | Binding | pAC50 | = | 7.3 | 7.3 | -57 | 43 | 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 | 10.1038/s41467-023-40064-9 | |||
43 | 2325 | None | 21 | Human | Binding | pAC50 | = | 7.3 | 7.3 | -57 | 43 | 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 | 10.1038/s41467-023-40064-9 | |||
CHEMBL157138 | 2325 | None | 21 | Human | Binding | pAC50 | = | 7.3 | 7.3 | -57 | 43 | 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 | 10.1038/s41467-023-40064-9 | |||
DB00589 | 2325 | None | 21 | Human | Binding | pAC50 | = | 7.3 | 7.3 | -57 | 43 | 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 | 10.1038/s41467-023-40064-9 | |||
135398737 | 958 | None | 57 | Human | Binding | pAC50 | = | 7.3 | 7.3 | -44 | 91 | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 10.1038/s41467-023-40064-9 | |||
135398737.0 | 958 | None | 57 | Human | Binding | pAC50 | = | 7.3 | 7.3 | -44 | 91 | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 10.1038/s41467-023-40064-9 | |||
38 | 958 | None | 57 | Human | Binding | pAC50 | = | 7.3 | 7.3 | -44 | 91 | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 10.1038/s41467-023-40064-9 | |||
722 | 958 | None | 57 | Human | Binding | pAC50 | = | 7.3 | 7.3 | -44 | 91 | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 10.1038/s41467-023-40064-9 | |||
CHEMBL42 | 958 | None | 57 | Human | Binding | pAC50 | = | 7.3 | 7.3 | -44 | 91 | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 10.1038/s41467-023-40064-9 | |||
DB00363 | 958 | None | 57 | Human | Binding | pAC50 | = | 7.3 | 7.3 | -44 | 91 | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 10.1038/s41467-023-40064-9 | |||
180 | 401 | None | 38 | Human | Binding | pAC50 | = | 6.3 | 6.3 | -109 | 39 | ChEMBL | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | 10.1038/s41467-023-40064-9 | |||
200 | 401 | None | 38 | Human | Binding | pAC50 | = | 6.3 | 6.3 | -109 | 39 | ChEMBL | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | 10.1038/s41467-023-40064-9 | |||
2160 | 401 | None | 38 | Human | Binding | pAC50 | = | 6.3 | 6.3 | -109 | 39 | ChEMBL | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | 10.1038/s41467-023-40064-9 | |||
2160.0 | 401 | None | 38 | Human | Binding | pAC50 | = | 6.3 | 6.3 | -109 | 39 | ChEMBL | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | 10.1038/s41467-023-40064-9 | |||
CHEMBL629 | 401 | None | 38 | Human | Binding | pAC50 | = | 6.3 | 6.3 | -109 | 39 | ChEMBL | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | 10.1038/s41467-023-40064-9 | |||
DB00321 | 401 | None | 38 | Human | Binding | pAC50 | = | 6.3 | 6.3 | -109 | 39 | ChEMBL | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | 10.1038/s41467-023-40064-9 | |||
193962 | 103848 | None | 63 | Human | Binding | pAC50 | = | 5.3 | 5.3 | - | 0 | ChEMBL | 434 | 4 | 2 | 7 | 4.7 | Cc1cc(C#N)cc(C)c1Oc1nc(Nc2ccc(C#N)cc2)nc(N)c1Br | 10.1038/s41467-023-40064-9 | |||
CHEMBL308954 | 103848 | None | 63 | Human | Binding | pAC50 | = | 5.3 | 5.3 | - | 0 | ChEMBL | 434 | 4 | 2 | 7 | 4.7 | Cc1cc(C#N)cc(C)c1Oc1nc(Nc2ccc(C#N)cc2)nc(N)c1Br | 10.1038/s41467-023-40064-9 | |||
1353 | 1911 | None | 63 | Human | Binding | pAC50 | = | 7.3 | 7.3 | -38 | 85 | 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 | None | 63 | Human | Binding | pAC50 | = | 7.3 | 7.3 | -38 | 85 | ChEMBL | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | 10.1038/s41467-023-40064-9 | |||
3559.0 | 1911 | None | 63 | Human | Binding | pAC50 | = | 7.3 | 7.3 | -38 | 85 | 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 | None | 63 | Human | Binding | pAC50 | = | 7.3 | 7.3 | -38 | 85 | 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 | None | 63 | Human | Binding | pAC50 | = | 7.3 | 7.3 | -38 | 85 | 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 | None | 63 | Human | Binding | pAC50 | = | 7.3 | 7.3 | -38 | 85 | ChEMBL | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | 10.1038/s41467-023-40064-9 | |||
3157 | 1470 | None | 44 | Human | Binding | pAC50 | = | 5.3 | 5.3 | - | 11 | 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 | |||
3157.0 | 1470 | None | 44 | Human | Binding | pAC50 | = | 5.3 | 5.3 | - | 11 | 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 | None | 44 | Human | Binding | pAC50 | = | 5.3 | 5.3 | - | 11 | 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 | None | 44 | Human | Binding | pAC50 | = | 5.3 | 5.3 | - | 11 | 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 | None | 44 | Human | Binding | pAC50 | = | 5.3 | 5.3 | - | 11 | 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 | None | 44 | Human | Binding | pAC50 | = | 5.3 | 5.3 | - | 11 | 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 | |||
5328940 | 100270 | None | 65 | Human | Binding | pAC50 | = | 5.3 | 5.3 | - | 0 | 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 | 100270 | None | 65 | Human | Binding | pAC50 | = | 5.3 | 5.3 | - | 0 | 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 | |||
135398737 | 958 | None | 57 | Human | Binding | pAC50 | = | 6.3 | 6.3 | -44 | 91 | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 10.1038/s41467-023-40064-9 | |||
135398737.0 | 958 | None | 57 | Human | Binding | pAC50 | = | 6.3 | 6.3 | -44 | 91 | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 10.1038/s41467-023-40064-9 | |||
38 | 958 | None | 57 | Human | Binding | pAC50 | = | 6.3 | 6.3 | -44 | 91 | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 10.1038/s41467-023-40064-9 | |||
722 | 958 | None | 57 | Human | Binding | pAC50 | = | 6.3 | 6.3 | -44 | 91 | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 10.1038/s41467-023-40064-9 | |||
CHEMBL42 | 958 | None | 57 | Human | Binding | pAC50 | = | 6.3 | 6.3 | -44 | 91 | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 10.1038/s41467-023-40064-9 | |||
DB00363 | 958 | None | 57 | Human | Binding | pAC50 | = | 6.3 | 6.3 | -44 | 91 | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 10.1038/s41467-023-40064-9 | |||
65772 | 60423 | None | 5 | Human | Binding | pAC50 | = | 5.3 | 5.3 | - | 6 | ChEMBL | 345 | 5 | 3 | 6 | 2.6 | COc1cc(C[C@@H]2NCCc3cc(O)c(O)cc32)cc(OC)c1OC | 10.1038/s41467-023-40064-9 | |||
CHEMBL174984 | 60423 | None | 5 | Human | Binding | pAC50 | = | 5.3 | 5.3 | - | 6 | ChEMBL | 345 | 5 | 3 | 6 | 2.6 | COc1cc(C[C@@H]2NCCc3cc(O)c(O)cc32)cc(OC)c1OC | 10.1038/s41467-023-40064-9 | |||
5329102 | 194838 | None | 50 | Human | Binding | pAC50 | = | 5.3 | 5.3 | - | 0 | ChEMBL | 398 | 7 | 3 | 3 | 3.3 | CCN(CC)CCNC(=O)c1c(C)[nH]c(/C=C2\C(=O)Nc3ccc(F)cc32)c1C | 10.1038/s41467-023-40064-9 | |||
CHEMBL535 | 194838 | None | 50 | Human | Binding | pAC50 | = | 5.3 | 5.3 | - | 0 | ChEMBL | 398 | 7 | 3 | 3 | 3.3 | CCN(CC)CCNC(=O)c1c(C)[nH]c(/C=C2\C(=O)Nc3ccc(F)cc32)c1C | 10.1038/s41467-023-40064-9 | |||
135 | 2532 | None | 33 | Human | Binding | pAC50 | = | 6.3 | 6.3 | -91 | 57 | ChEMBL | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | 10.1038/s41467-023-40064-9 | |||
1796 | 2532 | None | 33 | Human | Binding | pAC50 | = | 6.3 | 6.3 | -91 | 57 | ChEMBL | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | 10.1038/s41467-023-40064-9 | |||
4184 | 2532 | None | 33 | Human | Binding | pAC50 | = | 6.3 | 6.3 | -91 | 57 | ChEMBL | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | 10.1038/s41467-023-40064-9 | |||
4184.0 | 2532 | None | 33 | Human | Binding | pAC50 | = | 6.3 | 6.3 | -91 | 57 | ChEMBL | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | 10.1038/s41467-023-40064-9 | |||
CHEMBL6437 | 2532 | None | 33 | Human | Binding | pAC50 | = | 6.3 | 6.3 | -91 | 57 | ChEMBL | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | 10.1038/s41467-023-40064-9 | |||
DB06148 | 2532 | None | 33 | Human | Binding | pAC50 | = | 6.3 | 6.3 | -91 | 57 | ChEMBL | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | 10.1038/s41467-023-40064-9 | |||
2683 | 102943 | None | 17 | Human | Binding | pAC50 | = | 5.3 | 5.3 | - | 16 | ChEMBL | 304 | 15 | 0 | 0 | 6.5 | CCCCCCCCCCCCCCCC[n+]1ccccc1 | 10.1038/s41467-023-40064-9 | |||
CHEMBL305906 | 102943 | None | 17 | Human | Binding | pAC50 | = | 5.3 | 5.3 | - | 16 | ChEMBL | 304 | 15 | 0 | 0 | 6.5 | CCCCCCCCCCCCCCCC[n+]1ccccc1 | 10.1038/s41467-023-40064-9 | |||
CHEMBL334255 | 102943 | None | 17 | Human | Binding | pAC50 | = | 5.3 | 5.3 | - | 16 | ChEMBL | 304 | 15 | 0 | 0 | 6.5 | CCCCCCCCCCCCCCCC[n+]1ccccc1 | 10.1038/s41467-023-40064-9 | |||
16362 | 3125 | None | 49 | Human | Binding | pAC50 | = | 6.3 | 6.3 | -12589 | 29 | 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 | |||
16362.0 | 3125 | None | 49 | Human | Binding | pAC50 | = | 6.3 | 6.3 | -12589 | 29 | 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 | None | 49 | Human | Binding | pAC50 | = | 6.3 | 6.3 | -12589 | 29 | 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 | None | 49 | Human | Binding | pAC50 | = | 6.3 | 6.3 | -12589 | 29 | 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 | None | 49 | Human | Binding | pAC50 | = | 6.3 | 6.3 | -12589 | 29 | 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 | None | 49 | Human | Binding | pAC50 | = | 6.3 | 6.3 | -12589 | 29 | 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 | |||
5351322 | 94844 | None | 30 | Human | Binding | pAC50 | = | 5.3 | 5.3 | - | 0 | ChEMBL | 398 | 4 | 4 | 8 | 1.8 | C(=N/NC1=NCCN1)\c1c2ccccc2c(/C=N/NC2=NCCN2)c2ccccc12 | 10.1038/s41467-023-40064-9 | |||
CHEMBL25336 | 94844 | None | 30 | Human | Binding | pAC50 | = | 5.3 | 5.3 | - | 0 | ChEMBL | 398 | 4 | 4 | 8 | 1.8 | C(=N/NC1=NCCN1)\c1c2ccccc2c(/C=N/NC2=NCCN2)c2ccccc12 | 10.1038/s41467-023-40064-9 | |||
65863 | 14471 | None | 40 | Human | Binding | pAC50 | = | 5.3 | 5.3 | - | 0 | ChEMBL | 436 | 6 | 0 | 4 | 7.0 | Clc1ccc(C(Cn2ccnc2)OCc2csc3c(Cl)cccc23)c(Cl)c1 | 10.1038/s41467-023-40064-9 | |||
CHEMBL1201196 | 14471 | None | 40 | Human | Binding | pAC50 | = | 5.3 | 5.3 | - | 0 | ChEMBL | 436 | 6 | 0 | 4 | 7.0 | Clc1ccc(C(Cn2ccnc2)OCc2csc3c(Cl)cccc23)c(Cl)c1 | 10.1038/s41467-023-40064-9 | |||
115368 | 3056 | None | 34 | Human | Binding | pAC50 | = | 7.3 | 7.3 | - | 3 | ChEMBL | 426 | 6 | 0 | 6 | 3.4 | O=C1N(CCCCN2CCN(CC2)c2nsc3c2cccc3)C(=O)[C@@H]2[C@H]1CCCC2 | 10.1038/s41467-023-40064-9 | |||
2112 | 3056 | None | 34 | Human | Binding | pAC50 | = | 7.3 | 7.3 | - | 3 | ChEMBL | 426 | 6 | 0 | 6 | 3.4 | O=C1N(CCCCN2CCN(CC2)c2nsc3c2cccc3)C(=O)[C@@H]2[C@H]1CCCC2 | 10.1038/s41467-023-40064-9 | |||
7556 | 3056 | None | 34 | Human | Binding | pAC50 | = | 7.3 | 7.3 | - | 3 | ChEMBL | 426 | 6 | 0 | 6 | 3.4 | O=C1N(CCCCN2CCN(CC2)c2nsc3c2cccc3)C(=O)[C@@H]2[C@H]1CCCC2 | 10.1038/s41467-023-40064-9 | |||
CHEMBL1472975 | 3056 | None | 34 | Human | Binding | pAC50 | = | 7.3 | 7.3 | - | 3 | ChEMBL | 426 | 6 | 0 | 6 | 3.4 | O=C1N(CCCCN2CCN(CC2)c2nsc3c2cccc3)C(=O)[C@@H]2[C@H]1CCCC2 | 10.1038/s41467-023-40064-9 | |||
DB08922 | 3056 | None | 34 | Human | Binding | pAC50 | = | 7.3 | 7.3 | - | 3 | ChEMBL | 426 | 6 | 0 | 6 | 3.4 | O=C1N(CCCCN2CCN(CC2)c2nsc3c2cccc3)C(=O)[C@@H]2[C@H]1CCCC2 | 10.1038/s41467-023-40064-9 | |||
208898 | 66220 | None | 50 | Human | Binding | pAC50 | = | 5.3 | 5.3 | - | 0 | ChEMBL | 556 | 18 | 1 | 6 | 7.0 | CCCCc1oc2ccc(NS(C)(=O)=O)cc2c1C(=O)c1ccc(OCCCN(CCCC)CCCC)cc1 | 10.1038/s41467-023-40064-9 | |||
208898.0 | 66220 | None | 50 | Human | Binding | pAC50 | = | 5.3 | 5.3 | - | 0 | ChEMBL | 556 | 18 | 1 | 6 | 7.0 | CCCCc1oc2ccc(NS(C)(=O)=O)cc2c1C(=O)c1ccc(OCCCN(CCCC)CCCC)cc1 | 10.1038/s41467-023-40064-9 | |||
CHEMBL184412 | 66220 | None | 50 | Human | Binding | pAC50 | = | 5.3 | 5.3 | - | 0 | ChEMBL | 556 | 18 | 1 | 6 | 7.0 | CCCCc1oc2ccc(NS(C)(=O)=O)cc2c1C(=O)c1ccc(OCCCN(CCCC)CCCC)cc1 | 10.1038/s41467-023-40064-9 | |||
DB04855 | 66220 | None | 50 | Human | Binding | pAC50 | = | 5.3 | 5.3 | - | 0 | ChEMBL | 556 | 18 | 1 | 6 | 7.0 | CCCCc1oc2ccc(NS(C)(=O)=O)cc2c1C(=O)c1ccc(OCCCN(CCCC)CCCC)cc1 | 10.1038/s41467-023-40064-9 | |||
1086 | 1590 | None | 21 | Human | Binding | pAC50 | = | 5.3 | 5.3 | - | 2 | ChEMBL | 312 | 5 | 0 | 3 | 5.0 | CCN(C(CN1c2ccccc2Sc2c1cccc2)C)CC | 10.1038/s41467-023-40064-9 | |||
3290 | 1590 | None | 21 | Human | Binding | pAC50 | = | 5.3 | 5.3 | - | 2 | ChEMBL | 312 | 5 | 0 | 3 | 5.0 | CCN(C(CN1c2ccccc2Sc2c1cccc2)C)CC | 10.1038/s41467-023-40064-9 | |||
3290.0 | 1590 | None | 21 | Human | Binding | pAC50 | = | 5.3 | 5.3 | - | 2 | ChEMBL | 312 | 5 | 0 | 3 | 5.0 | CCN(C(CN1c2ccccc2Sc2c1cccc2)C)CC | 10.1038/s41467-023-40064-9 | |||
7181 | 1590 | None | 21 | Human | Binding | pAC50 | = | 5.3 | 5.3 | - | 2 | ChEMBL | 312 | 5 | 0 | 3 | 5.0 | CCN(C(CN1c2ccccc2Sc2c1cccc2)C)CC | 10.1038/s41467-023-40064-9 | |||
CHEMBL1206 | 1590 | None | 21 | Human | Binding | pAC50 | = | 5.3 | 5.3 | - | 2 | ChEMBL | 312 | 5 | 0 | 3 | 5.0 | CCN(C(CN1c2ccccc2Sc2c1cccc2)C)CC | 10.1038/s41467-023-40064-9 | |||
DB00392 | 1590 | None | 21 | Human | Binding | pAC50 | = | 5.3 | 5.3 | - | 2 | ChEMBL | 312 | 5 | 0 | 3 | 5.0 | CCN(C(CN1c2ccccc2Sc2c1cccc2)C)CC | 10.1038/s41467-023-40064-9 | |||
2337 | 3256 | None | 51 | Human | Binding | pAC50 | = | 6.3 | 6.3 | -53 | 62 | ChEMBL | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | 10.1038/s41467-023-40064-9 | |||
50 | 3256 | None | 51 | Human | Binding | pAC50 | = | 6.3 | 6.3 | -53 | 62 | ChEMBL | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | 10.1038/s41467-023-40064-9 | |||
5002 | 3256 | None | 51 | Human | Binding | pAC50 | = | 6.3 | 6.3 | -53 | 62 | ChEMBL | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | 10.1038/s41467-023-40064-9 | |||
5002.0 | 3256 | None | 51 | Human | Binding | pAC50 | = | 6.3 | 6.3 | -53 | 62 | ChEMBL | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | 10.1038/s41467-023-40064-9 | |||
CHEMBL716 | 3256 | None | 51 | Human | Binding | pAC50 | = | 6.3 | 6.3 | -53 | 62 | ChEMBL | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | 10.1038/s41467-023-40064-9 | |||
DB01224 | 3256 | None | 51 | Human | Binding | pAC50 | = | 6.3 | 6.3 | -53 | 62 | ChEMBL | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | 10.1038/s41467-023-40064-9 | |||
2726 | 919 | None | 48 | Human | Binding | pAC50 | = | 6.3 | 6.3 | -36 | 72 | ChEMBL | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | 10.1038/s41467-023-40064-9 | |||
2726.0 | 919 | None | 48 | Human | Binding | pAC50 | = | 6.3 | 6.3 | -36 | 72 | ChEMBL | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | 10.1038/s41467-023-40064-9 | |||
621 | 919 | None | 48 | Human | Binding | pAC50 | = | 6.3 | 6.3 | -36 | 72 | ChEMBL | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | 10.1038/s41467-023-40064-9 | |||
83 | 919 | None | 48 | Human | Binding | pAC50 | = | 6.3 | 6.3 | -36 | 72 | ChEMBL | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | 10.1038/s41467-023-40064-9 | |||
CHEMBL71 | 919 | None | 48 | Human | Binding | pAC50 | = | 6.3 | 6.3 | -36 | 72 | ChEMBL | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | 10.1038/s41467-023-40064-9 | |||
DB00477 | 919 | None | 48 | Human | Binding | pAC50 | = | 6.3 | 6.3 | -36 | 72 | ChEMBL | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | 10.1038/s41467-023-40064-9 | |||
448537 | 160344 | None | 54 | Human | Binding | pAC50 | = | 5.3 | 5.3 | -28 | 25 | ChEMBL | 268 | 4 | 2 | 2 | 4.8 | CC/C(=C(/CC)c1ccc(O)cc1)c1ccc(O)cc1 | 10.1038/s41467-023-40064-9 | |||
CHEMBL411 | 160344 | None | 54 | Human | Binding | pAC50 | = | 5.3 | 5.3 | -28 | 25 | ChEMBL | 268 | 4 | 2 | 2 | 4.8 | CC/C(=C(/CC)c1ccc(O)cc1)c1ccc(O)cc1 | 10.1038/s41467-023-40064-9 | |||
10531 | 1420 | None | 13 | Human | Binding | pAC50 | = | 5.3 | 5.3 | -218 | 30 | 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 | |||
10531.0 | 1420 | None | 13 | Human | Binding | pAC50 | = | 5.3 | 5.3 | -218 | 30 | 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 | None | 13 | Human | Binding | pAC50 | = | 5.3 | 5.3 | -218 | 30 | 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 | None | 13 | Human | Binding | pAC50 | = | 5.3 | 5.3 | -218 | 30 | 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 | None | 13 | Human | Binding | pAC50 | = | 5.3 | 5.3 | -218 | 30 | 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 | None | 13 | Human | Binding | pAC50 | = | 5.3 | 5.3 | -218 | 30 | 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 | |||
4822 | 45046 | None | 35 | Human | Binding | pAC50 | = | 7.3 | 7.3 | - | 0 | ChEMBL | 293 | 0 | 0 | 2 | 4.7 | CN1CCC(=C2c3ccccc3Sc3ccccc32)CC1 | 10.1038/s41467-023-40064-9 | |||
CHEMBL152408 | 45046 | None | 35 | Human | Binding | pAC50 | = | 7.3 | 7.3 | - | 0 | ChEMBL | 293 | 0 | 0 | 2 | 4.7 | CN1CCC(=C2c3ccccc3Sc3ccccc32)CC1 | 10.1038/s41467-023-40064-9 | |||
2407 | 3372 | None | 50 | Human | Binding | pAC50 | = | 6.3 | 6.3 | -128 | 7 | ChEMBL | 315 | 6 | 1 | 3 | 4.3 | CCCN([C@H]1CCc2c(C1)cccc2O)CCc1cccs1 | 10.1038/s41467-023-40064-9 | |||
59227 | 3372 | None | 50 | Human | Binding | pAC50 | = | 6.3 | 6.3 | -128 | 7 | ChEMBL | 315 | 6 | 1 | 3 | 4.3 | CCCN([C@H]1CCc2c(C1)cccc2O)CCc1cccs1 | 10.1038/s41467-023-40064-9 | |||
59227.0 | 3372 | None | 50 | Human | Binding | pAC50 | = | 6.3 | 6.3 | -128 | 7 | ChEMBL | 315 | 6 | 1 | 3 | 4.3 | CCCN([C@H]1CCc2c(C1)cccc2O)CCc1cccs1 | 10.1038/s41467-023-40064-9 | |||
941 | 3372 | None | 50 | Human | Binding | pAC50 | = | 6.3 | 6.3 | -128 | 7 | ChEMBL | 315 | 6 | 1 | 3 | 4.3 | CCCN([C@H]1CCc2c(C1)cccc2O)CCc1cccs1 | 10.1038/s41467-023-40064-9 | |||
CHEMBL1303 | 3372 | None | 50 | Human | Binding | pAC50 | = | 6.3 | 6.3 | -128 | 7 | ChEMBL | 315 | 6 | 1 | 3 | 4.3 | CCCN([C@H]1CCc2c(C1)cccc2O)CCc1cccs1 | 10.1038/s41467-023-40064-9 | |||
DB05271 | 3372 | None | 50 | Human | Binding | pAC50 | = | 6.3 | 6.3 | -128 | 7 | ChEMBL | 315 | 6 | 1 | 3 | 4.3 | CCCN([C@H]1CCc2c(C1)cccc2O)CCc1cccs1 | 10.1038/s41467-023-40064-9 | |||
49843517 | 78325 | None | 41 | Human | Binding | pAC50 | = | 5.3 | 5.3 | - | 0 | ChEMBL | 590 | 13 | 2 | 6 | 8.5 | CCCCCCO[C@@H](C)c1cccc(-c2csc(NC(=O)c3cc(Cl)c(/C=C(\C)C(=O)O)c(Cl)c3)n2)c1OC | 10.1038/s41467-023-40064-9 | |||
CHEMBL2107831 | 78325 | None | 41 | Human | Binding | pAC50 | = | 5.3 | 5.3 | - | 0 | ChEMBL | 590 | 13 | 2 | 6 | 8.5 | CCCCCCO[C@@H](C)c1cccc(-c2csc(NC(=O)c3cc(Cl)c(/C=C(\C)C(=O)O)c(Cl)c3)n2)c1OC | 10.1038/s41467-023-40064-9 | |||
25151352 | 140693 | None | 56 | Human | Binding | pAC50 | = | 5.3 | 5.3 | - | 0 | ChEMBL | 417 | 5 | 2 | 4 | 5.2 | FC(F)(F)c1ccc(CNc2ccc(Cc3c[nH]c4ncc(Cl)cc34)cn2)cn1 | 10.1038/s41467-023-40064-9 | |||
CHEMBL3813873 | 140693 | None | 56 | Human | Binding | pAC50 | = | 5.3 | 5.3 | - | 0 | ChEMBL | 417 | 5 | 2 | 4 | 5.2 | FC(F)(F)c1ccc(CNc2ccc(Cc3c[nH]c4ncc(Cl)cc34)cn2)cn1 | 10.1038/s41467-023-40064-9 | |||
11167602 | 70484 | None | 73 | Human | Binding | pAC50 | = | 5.3 | 5.3 | - | 0 | ChEMBL | 482 | 5 | 3 | 4 | 5.7 | CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)c(F)c2)ccn1 | 10.1038/s41467-023-40064-9 | |||
CHEMBL1946170 | 70484 | None | 73 | Human | Binding | pAC50 | = | 5.3 | 5.3 | - | 0 | ChEMBL | 482 | 5 | 3 | 4 | 5.7 | CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)c(F)c2)ccn1 | 10.1038/s41467-023-40064-9 | |||
10071196 | 3124 | None | 53 | Human | Binding | pAC50 | = | 5.2 | 5.2 | - | 2 | ChEMBL | 427 | 8 | 1 | 3 | 4.7 | CC(COc1ccc(cc1)CNC(=O)N(C1CCN(CC1)C)Cc1ccc(cc1)F)C | 10.1038/s41467-023-40064-9 | |||
10071196.0 | 3124 | None | 53 | Human | Binding | pAC50 | = | 5.2 | 5.2 | - | 2 | ChEMBL | 427 | 8 | 1 | 3 | 4.7 | CC(COc1ccc(cc1)CNC(=O)N(C1CCN(CC1)C)Cc1ccc(cc1)F)C | 10.1038/s41467-023-40064-9 | |||
5142 | 3124 | None | 53 | Human | Binding | pAC50 | = | 5.2 | 5.2 | - | 2 | ChEMBL | 427 | 8 | 1 | 3 | 4.7 | CC(COc1ccc(cc1)CNC(=O)N(C1CCN(CC1)C)Cc1ccc(cc1)F)C | 10.1038/s41467-023-40064-9 | |||
8423 | 3124 | None | 53 | Human | Binding | pAC50 | = | 5.2 | 5.2 | - | 2 | ChEMBL | 427 | 8 | 1 | 3 | 4.7 | CC(COc1ccc(cc1)CNC(=O)N(C1CCN(CC1)C)Cc1ccc(cc1)F)C | 10.1038/s41467-023-40064-9 | |||
CHEMBL2111101 | 3124 | None | 53 | Human | Binding | pAC50 | = | 5.2 | 5.2 | - | 2 | ChEMBL | 427 | 8 | 1 | 3 | 4.7 | CC(COc1ccc(cc1)CNC(=O)N(C1CCN(CC1)C)Cc1ccc(cc1)F)C | 10.1038/s41467-023-40064-9 | |||
DB05316 | 3124 | None | 53 | Human | Binding | pAC50 | = | 5.2 | 5.2 | - | 2 | ChEMBL | 427 | 8 | 1 | 3 | 4.7 | CC(COc1ccc(cc1)CNC(=O)N(C1CCN(CC1)C)Cc1ccc(cc1)F)C | 10.1038/s41467-023-40064-9 | |||
71897 | 78277 | None | 10 | Human | Binding | pAC50 | = | 6.2 | 6.2 | - | 0 | ChEMBL | 304 | 4 | 1 | 3 | 2.7 | Cc1cc(CCN2CCN(c3cccc(Cl)c3)CC2)n[nH]1 | 10.1038/s41467-023-40064-9 | |||
CHEMBL2106537 | 78277 | None | 10 | Human | Binding | pAC50 | = | 6.2 | 6.2 | - | 0 | ChEMBL | 304 | 4 | 1 | 3 | 2.7 | Cc1cc(CCN2CCN(c3cccc(Cl)c3)CC2)n[nH]1 | 10.1038/s41467-023-40064-9 | |||
2805 | 161984 | None | 27 | Human | Binding | pAC50 | = | 5.2 | 5.2 | - | 0 | ChEMBL | 329 | 6 | 0 | 2 | 4.9 | Clc1ccc(C(OCCN2CCCCC2)c2ccccc2)cc1 | 10.1038/s41467-023-40064-9 | |||
CHEMBL415087 | 161984 | None | 27 | Human | Binding | pAC50 | = | 5.2 | 5.2 | - | 0 | ChEMBL | 329 | 6 | 0 | 2 | 4.9 | Clc1ccc(C(OCCN2CCCCC2)c2ccccc2)cc1 | 10.1038/s41467-023-40064-9 | |||
114948 | 60317 | None | 11 | Human | Binding | pAC50 | = | 6.2 | 6.2 | - | 3 | ChEMBL | 577 | 5 | 3 | 6 | 2.5 | CC(C)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 | |||
114948.0 | 60317 | None | 11 | Human | Binding | pAC50 | = | 6.2 | 6.2 | - | 3 | ChEMBL | 577 | 5 | 3 | 6 | 2.5 | CC(C)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 | |||
CHEMBL1743263 | 60317 | None | 11 | Human | Binding | pAC50 | = | 6.2 | 6.2 | - | 3 | ChEMBL | 577 | 5 | 3 | 6 | 2.5 | CC(C)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 | |||
DB11274 | 60317 | None | 11 | Human | Binding | pAC50 | = | 6.2 | 6.2 | - | 3 | ChEMBL | 577 | 5 | 3 | 6 | 2.5 | CC(C)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 | |||
16351 | 102785 | None | 36 | Human | Binding | pAC50 | = | 8.2 | 8.2 | - | 5 | ChEMBL | 343 | 0 | 0 | 4 | 4.1 | CN1CCN(C2=Nc3ccccc3Sc3ccc(Cl)cc32)CC1 | 10.1038/s41467-023-40064-9 | |||
16351.0 | 102785 | None | 36 | Human | Binding | pAC50 | = | 8.2 | 8.2 | - | 5 | ChEMBL | 343 | 0 | 0 | 4 | 4.1 | CN1CCN(C2=Nc3ccccc3Sc3ccc(Cl)cc32)CC1 | 10.1038/s41467-023-40064-9 | |||
CHEMBL304902 | 102785 | None | 36 | Human | Binding | pAC50 | = | 8.2 | 8.2 | - | 5 | ChEMBL | 343 | 0 | 0 | 4 | 4.1 | CN1CCN(C2=Nc3ccccc3Sc3ccc(Cl)cc32)CC1 | 10.1038/s41467-023-40064-9 | |||
DB13256 | 102785 | None | 36 | Human | Binding | pAC50 | = | 8.2 | 8.2 | - | 5 | ChEMBL | 343 | 0 | 0 | 4 | 4.1 | CN1CCN(C2=Nc3ccccc3Sc3ccc(Cl)cc32)CC1 | 10.1038/s41467-023-40064-9 | |||
123879 | 3287 | None | 57 | Human | Binding | pAC50 | = | 5.2 | 5.2 | - | 4 | ChEMBL | 416 | 6 | 2 | 4 | 3.1 | OC(=O)CCn1c2CC[C@H](Cc2c2c1cccc2)NS(=O)(=O)c1ccc(cc1)F | 10.1038/s41467-023-40064-9 | |||
123879.0 | 3287 | None | 57 | Human | Binding | pAC50 | = | 5.2 | 5.2 | - | 4 | ChEMBL | 416 | 6 | 2 | 4 | 3.1 | OC(=O)CCn1c2CC[C@H](Cc2c2c1cccc2)NS(=O)(=O)c1ccc(cc1)F | 10.1038/s41467-023-40064-9 | |||
1910 | 3287 | None | 57 | Human | Binding | pAC50 | = | 5.2 | 5.2 | - | 4 | ChEMBL | 416 | 6 | 2 | 4 | 3.1 | OC(=O)CCn1c2CC[C@H](Cc2c2c1cccc2)NS(=O)(=O)c1ccc(cc1)F | 10.1038/s41467-023-40064-9 | |||
1911 | 3287 | None | 57 | Human | Binding | pAC50 | = | 5.2 | 5.2 | - | 4 | ChEMBL | 416 | 6 | 2 | 4 | 3.1 | OC(=O)CCn1c2CC[C@H](Cc2c2c1cccc2)NS(=O)(=O)c1ccc(cc1)F | 10.1038/s41467-023-40064-9 | |||
2354 | 3287 | None | 57 | Human | Binding | pAC50 | = | 5.2 | 5.2 | - | 4 | ChEMBL | 416 | 6 | 2 | 4 | 3.1 | OC(=O)CCn1c2CC[C@H](Cc2c2c1cccc2)NS(=O)(=O)c1ccc(cc1)F | 10.1038/s41467-023-40064-9 | |||
CHEMBL361812 | 3287 | None | 57 | Human | Binding | pAC50 | = | 5.2 | 5.2 | - | 4 | ChEMBL | 416 | 6 | 2 | 4 | 3.1 | OC(=O)CCn1c2CC[C@H](Cc2c2c1cccc2)NS(=O)(=O)c1ccc(cc1)F | 10.1038/s41467-023-40064-9 | |||
DB13036 | 3287 | None | 57 | Human | Binding | pAC50 | = | 5.2 | 5.2 | - | 4 | ChEMBL | 416 | 6 | 2 | 4 | 3.1 | OC(=O)CCn1c2CC[C@H](Cc2c2c1cccc2)NS(=O)(=O)c1ccc(cc1)F | 10.1038/s41467-023-40064-9 | |||
10180 | 98923 | None | 36 | Human | Binding | pAC50 | = | 5.2 | 5.2 | - | 0 | ChEMBL | 340 | 6 | 1 | 4 | 4.5 | CCN(CC)CCNc1ccc(C)c2sc3ccccc3c(=O)c12 | 10.1038/s41467-023-40064-9 | |||
CHEMBL279014 | 98923 | None | 36 | Human | Binding | pAC50 | = | 5.2 | 5.2 | - | 0 | ChEMBL | 340 | 6 | 1 | 4 | 4.5 | CCN(CC)CCNc1ccc(C)c2sc3ccccc3c(=O)c12 | 10.1038/s41467-023-40064-9 | |||
3598 | 187927 | None | 45 | Human | Binding | pAC50 | = | 5.2 | 5.2 | - | 7 | ChEMBL | 404 | 2 | 2 | 2 | 6.6 | Oc1c(Cl)cc(Cl)c(Cl)c1Cc1c(O)c(Cl)cc(Cl)c1Cl | 10.1038/s41467-023-40064-9 | |||
CHEMBL496 | 187927 | None | 45 | Human | Binding | pAC50 | = | 5.2 | 5.2 | - | 7 | ChEMBL | 404 | 2 | 2 | 2 | 6.6 | Oc1c(Cl)cc(Cl)c(Cl)c1Cc1c(O)c(Cl)cc(Cl)c1Cl | 10.1038/s41467-023-40064-9 | |||
37 | 778 | None | 41 | Human | Binding | pAC50 | = | 6.2 | 6.2 | -4 | 17 | 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 | None | 41 | Human | Binding | pAC50 | = | 6.2 | 6.2 | -4 | 17 | 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 | None | 41 | Human | Binding | pAC50 | = | 6.2 | 6.2 | -4 | 17 | 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 | |||
54746.0 | 778 | None | 41 | Human | Binding | pAC50 | = | 6.2 | 6.2 | -4 | 17 | 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 | None | 41 | Human | Binding | pAC50 | = | 6.2 | 6.2 | -4 | 17 | 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 | None | 41 | Human | Binding | pAC50 | = | 6.2 | 6.2 | -4 | 17 | 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 | |||
1524 | 2181 | None | 61 | Human | Binding | pAC50 | = | 7.2 | 7.2 | -74 | 51 | ChEMBL | 395 | 5 | 1 | 5 | 2.4 | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)cccc2 | 10.1038/s41467-023-40064-9 | |||
197 | 2181 | None | 61 | Human | Binding | pAC50 | = | 7.2 | 7.2 | -74 | 51 | ChEMBL | 395 | 5 | 1 | 5 | 2.4 | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)cccc2 | 10.1038/s41467-023-40064-9 | |||
3822 | 2181 | None | 61 | Human | Binding | pAC50 | = | 7.2 | 7.2 | -74 | 51 | ChEMBL | 395 | 5 | 1 | 5 | 2.4 | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)cccc2 | 10.1038/s41467-023-40064-9 | |||
3822.0 | 2181 | None | 61 | Human | Binding | pAC50 | = | 7.2 | 7.2 | -74 | 51 | ChEMBL | 395 | 5 | 1 | 5 | 2.4 | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)cccc2 | 10.1038/s41467-023-40064-9 | |||
88 | 2181 | None | 61 | Human | Binding | pAC50 | = | 7.2 | 7.2 | -74 | 51 | ChEMBL | 395 | 5 | 1 | 5 | 2.4 | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)cccc2 | 10.1038/s41467-023-40064-9 | |||
CHEMBL51 | 2181 | None | 61 | Human | Binding | pAC50 | = | 7.2 | 7.2 | -74 | 51 | ChEMBL | 395 | 5 | 1 | 5 | 2.4 | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)cccc2 | 10.1038/s41467-023-40064-9 | |||
DB12465 | 2181 | None | 61 | Human | Binding | pAC50 | = | 7.2 | 7.2 | -74 | 51 | ChEMBL | 395 | 5 | 1 | 5 | 2.4 | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)cccc2 | 10.1038/s41467-023-40064-9 | |||
242 | 470 | None | 70 | Human | Binding | pAC50 | = | 6.2 | 6.2 | -281 | 51 | 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 | None | 70 | Human | Binding | pAC50 | = | 6.2 | 6.2 | -281 | 51 | 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 | None | 70 | Human | Binding | pAC50 | = | 6.2 | 6.2 | -281 | 51 | ChEMBL | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | 10.1038/s41467-023-40064-9 | |||
60795.0 | 470 | None | 70 | Human | Binding | pAC50 | = | 6.2 | 6.2 | -281 | 51 | 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 | None | 70 | Human | Binding | pAC50 | = | 6.2 | 6.2 | -281 | 51 | 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 | None | 70 | Human | Binding | pAC50 | = | 6.2 | 6.2 | -281 | 51 | ChEMBL | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | 10.1038/s41467-023-40064-9 | |||
21855 | 84280 | None | 37 | Human | Binding | pAC50 | = | 5.2 | 5.2 | - | 6 | ChEMBL | 292 | 5 | 0 | 2 | 4.1 | CC(C1=C(CCN(C)C)Cc2ccccc21)c1ccccn1 | 10.1038/s41467-023-40064-9 | |||
21855.0 | 84280 | None | 37 | Human | Binding | pAC50 | = | 5.2 | 5.2 | - | 6 | ChEMBL | 292 | 5 | 0 | 2 | 4.1 | CC(C1=C(CCN(C)C)Cc2ccccc21)c1ccccn1 | 10.1038/s41467-023-40064-9 | |||
CHEMBL22108 | 84280 | None | 37 | Human | Binding | pAC50 | = | 5.2 | 5.2 | - | 6 | ChEMBL | 292 | 5 | 0 | 2 | 4.1 | CC(C1=C(CCN(C)C)Cc2ccccc21)c1ccccn1 | 10.1038/s41467-023-40064-9 | |||
DB08801 | 84280 | None | 37 | Human | Binding | pAC50 | = | 5.2 | 5.2 | - | 6 | ChEMBL | 292 | 5 | 0 | 2 | 4.1 | CC(C1=C(CCN(C)C)Cc2ccccc21)c1ccccn1 | 10.1038/s41467-023-40064-9 | |||
5353853 | 17993 | None | 30 | Human | Binding | pAC50 | = | 5.2 | 5.2 | -19 | 15 | ChEMBL | 427 | 6 | 0 | 4 | 6.1 | Clc1ccc(CO/N=C(\Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1 | 10.1038/s41467-023-40064-9 | |||
9556529 | 17993 | None | 30 | Human | Binding | pAC50 | = | 5.2 | 5.2 | -19 | 15 | ChEMBL | 427 | 6 | 0 | 4 | 6.1 | Clc1ccc(CO/N=C(\Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1 | 10.1038/s41467-023-40064-9 | |||
CHEMBL1262 | 17993 | None | 30 | Human | Binding | pAC50 | = | 5.2 | 5.2 | -19 | 15 | ChEMBL | 427 | 6 | 0 | 4 | 6.1 | Clc1ccc(CO/N=C(\Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1 | 10.1038/s41467-023-40064-9 | |||
2389 | 3331 | None | 72 | Human | Binding | pAC50 | = | 6.2 | 6.2 | -478 | 67 | 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 | None | 72 | Human | Binding | pAC50 | = | 6.2 | 6.2 | -478 | 67 | ChEMBL | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | 10.1038/s41467-023-40064-9 | |||
5073.0 | 3331 | None | 72 | Human | Binding | pAC50 | = | 6.2 | 6.2 | -478 | 67 | 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 | None | 72 | Human | Binding | pAC50 | = | 6.2 | 6.2 | -478 | 67 | 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 | None | 72 | Human | Binding | pAC50 | = | 6.2 | 6.2 | -478 | 67 | 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 | None | 72 | Human | Binding | pAC50 | = | 6.2 | 6.2 | -478 | 67 | ChEMBL | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | 10.1038/s41467-023-40064-9 | |||
6077 | 150786 | None | 16 | Human | Binding | pAC50 | = | 7.2 | 7.2 | - | 0 | ChEMBL | 326 | 5 | 0 | 4 | 4.4 | CC(=O)c1ccc2c(c1)N(CCCN(C)C)c1ccccc1S2 | 10.1038/s41467-023-40064-9 | |||
CHEMBL39560 | 150786 | None | 16 | Human | Binding | pAC50 | = | 7.2 | 7.2 | - | 0 | ChEMBL | 326 | 5 | 0 | 4 | 4.4 | CC(=O)c1ccc2c(c1)N(CCCN(C)C)c1ccccc1S2 | 10.1038/s41467-023-40064-9 | |||
3294 | 2006 | None | 61 | Human | Binding | pAC50 | = | 7.2 | 7.2 | -56 | 44 | ChEMBL | 426 | 8 | 0 | 6 | 4.8 | COc1cc(ccc1OCCCN1CCC(CC1)c1noc2c1ccc(c2)F)C(=O)C | 10.1038/s41467-023-40064-9 | |||
71360 | 2006 | None | 61 | Human | Binding | pAC50 | = | 7.2 | 7.2 | -56 | 44 | ChEMBL | 426 | 8 | 0 | 6 | 4.8 | COc1cc(ccc1OCCCN1CCC(CC1)c1noc2c1ccc(c2)F)C(=O)C | 10.1038/s41467-023-40064-9 | |||
71360.0 | 2006 | None | 61 | Human | Binding | pAC50 | = | 7.2 | 7.2 | -56 | 44 | ChEMBL | 426 | 8 | 0 | 6 | 4.8 | COc1cc(ccc1OCCCN1CCC(CC1)c1noc2c1ccc(c2)F)C(=O)C | 10.1038/s41467-023-40064-9 | |||
87 | 2006 | None | 61 | Human | Binding | pAC50 | = | 7.2 | 7.2 | -56 | 44 | ChEMBL | 426 | 8 | 0 | 6 | 4.8 | COc1cc(ccc1OCCCN1CCC(CC1)c1noc2c1ccc(c2)F)C(=O)C | 10.1038/s41467-023-40064-9 | |||
CHEMBL14376 | 2006 | None | 61 | Human | Binding | pAC50 | = | 7.2 | 7.2 | -56 | 44 | ChEMBL | 426 | 8 | 0 | 6 | 4.8 | COc1cc(ccc1OCCCN1CCC(CC1)c1noc2c1ccc(c2)F)C(=O)C | 10.1038/s41467-023-40064-9 | |||
DB04946 | 2006 | None | 61 | Human | Binding | pAC50 | = | 7.2 | 7.2 | -56 | 44 | ChEMBL | 426 | 8 | 0 | 6 | 4.8 | COc1cc(ccc1OCCCN1CCC(CC1)c1noc2c1ccc(c2)F)C(=O)C | 10.1038/s41467-023-40064-9 | |||
2710 | 84342 | None | 29 | Human | Binding | pAC50 | = | 5.2 | 5.2 | - | 3 | ChEMBL | 300 | 3 | 0 | 2 | 3.7 | CN1CCN(C(c2ccccc2)c2ccc(Cl)cc2)CC1 | 10.1038/s41467-023-40064-9 | |||
2710.0 | 84342 | None | 29 | Human | Binding | pAC50 | = | 5.2 | 5.2 | - | 3 | ChEMBL | 300 | 3 | 0 | 2 | 3.7 | CN1CCN(C(c2ccccc2)c2ccc(Cl)cc2)CC1 | 10.1038/s41467-023-40064-9 | |||
CHEMBL1889091 | 84342 | None | 29 | Human | Binding | pAC50 | = | 5.2 | 5.2 | - | 3 | ChEMBL | 300 | 3 | 0 | 2 | 3.7 | CN1CCN(C(c2ccccc2)c2ccc(Cl)cc2)CC1 | 10.1038/s41467-023-40064-9 | |||
CHEMBL22150 | 84342 | None | 29 | Human | Binding | pAC50 | = | 5.2 | 5.2 | - | 3 | ChEMBL | 300 | 3 | 0 | 2 | 3.7 | CN1CCN(C(c2ccccc2)c2ccc(Cl)cc2)CC1 | 10.1038/s41467-023-40064-9 | |||
DB08936 | 84342 | None | 29 | Human | Binding | pAC50 | = | 5.2 | 5.2 | - | 3 | ChEMBL | 300 | 3 | 0 | 2 | 3.7 | CN1CCN(C(c2ccccc2)c2ccc(Cl)cc2)CC1 | 10.1038/s41467-023-40064-9 | |||
43082 | 60303 | None | 26 | Human | Binding | pAC50 | = | 5.2 | 5.2 | - | 0 | ChEMBL | 357 | 6 | 0 | 2 | 5.5 | CC(OCCN1CCCCCC1)(c1ccccc1)c1ccc(Cl)cc1 | 10.1038/s41467-023-40064-9 | |||
CHEMBL1742452 | 60303 | None | 26 | Human | Binding | pAC50 | = | 5.2 | 5.2 | - | 0 | ChEMBL | 357 | 6 | 0 | 2 | 5.5 | CC(OCCN1CCCCCC1)(c1ccccc1)c1ccc(Cl)cc1 | 10.1038/s41467-023-40064-9 | |||
98941 | 46964 | None | 13 | Human | Binding | pAC50 | = | 5.2 | 5.2 | - | 0 | ChEMBL | 457 | 7 | 0 | 4 | 6.3 | COc1ccc2c(c1)OC(C)(C)C(c1ccccc1)C2c1ccc(OCCN2CCCC2)cc1 | 10.1038/s41467-023-40064-9 | |||
CHEMBL154126 | 46964 | None | 13 | Human | Binding | pAC50 | = | 5.2 | 5.2 | - | 0 | ChEMBL | 457 | 7 | 0 | 4 | 6.3 | COc1ccc2c(c1)OC(C)(C)C(c1ccccc1)C2c1ccc(OCCN2CCCC2)cc1 | 10.1038/s41467-023-40064-9 | |||
2107 | 3055 | None | 44 | Human | Binding | pAC50 | = | 8.1 | 8.1 | - | 1 | ChEMBL | 365 | 4 | 1 | 5 | 4.0 | N#Cc1ccc2c(c1)N(CCCN1CCC(CC1)O)c1c(S2)cccc1 | 10.1038/s41467-023-40064-9 | |||
4747 | 3055 | None | 44 | Human | Binding | pAC50 | = | 8.1 | 8.1 | - | 1 | ChEMBL | 365 | 4 | 1 | 5 | 4.0 | N#Cc1ccc2c(c1)N(CCCN1CCC(CC1)O)c1c(S2)cccc1 | 10.1038/s41467-023-40064-9 | |||
4747.0 | 3055 | None | 44 | Human | Binding | pAC50 | = | 8.1 | 8.1 | - | 1 | ChEMBL | 365 | 4 | 1 | 5 | 4.0 | N#Cc1ccc2c(c1)N(CCCN1CCC(CC1)O)c1c(S2)cccc1 | 10.1038/s41467-023-40064-9 | |||
9216 | 3055 | None | 44 | Human | Binding | pAC50 | = | 8.1 | 8.1 | - | 1 | ChEMBL | 365 | 4 | 1 | 5 | 4.0 | N#Cc1ccc2c(c1)N(CCCN1CCC(CC1)O)c1c(S2)cccc1 | 10.1038/s41467-023-40064-9 | |||
CHEMBL251940 | 3055 | None | 44 | Human | Binding | pAC50 | = | 8.1 | 8.1 | - | 1 | ChEMBL | 365 | 4 | 1 | 5 | 4.0 | N#Cc1ccc2c(c1)N(CCCN1CCC(CC1)O)c1c(S2)cccc1 | 10.1038/s41467-023-40064-9 | |||
DB01608 | 3055 | None | 44 | Human | Binding | pAC50 | = | 8.1 | 8.1 | - | 1 | ChEMBL | 365 | 4 | 1 | 5 | 4.0 | N#Cc1ccc2c(c1)N(CCCN1CCC(CC1)O)c1c(S2)cccc1 | 10.1038/s41467-023-40064-9 | |||
5440 | 28732 | None | 28 | Human | Binding | pAC50 | = | 8.1 | 8.1 | -1 | 9 | ChEMBL | 399 | 6 | 0 | 5 | 5.0 | CCSc1ccc2c(c1)N(CCCN1CCN(C)CC1)c1ccccc1S2 | 10.1038/s41467-023-40064-9 | |||
5440.0 | 28732 | None | 28 | Human | Binding | pAC50 | = | 8.1 | 8.1 | -1 | 9 | ChEMBL | 399 | 6 | 0 | 5 | 5.0 | CCSc1ccc2c(c1)N(CCCN1CCN(C)CC1)c1ccccc1S2 | 10.1038/s41467-023-40064-9 | |||
CHEMBL1378 | 28732 | None | 28 | Human | Binding | pAC50 | = | 8.1 | 8.1 | -1 | 9 | ChEMBL | 399 | 6 | 0 | 5 | 5.0 | CCSc1ccc2c(c1)N(CCCN1CCN(C)CC1)c1ccccc1S2 | 10.1038/s41467-023-40064-9 | |||
DB00372 | 28732 | None | 28 | Human | Binding | pAC50 | = | 8.1 | 8.1 | -1 | 9 | ChEMBL | 399 | 6 | 0 | 5 | 5.0 | CCSc1ccc2c(c1)N(CCCN1CCN(C)CC1)c1ccccc1S2 | 10.1038/s41467-023-40064-9 | |||
104903 | 56360 | None | 12 | Human | Binding | pAC50 | = | 5.2 | 5.2 | - | 6 | 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 | 10.1038/s41467-023-40064-9 | |||
CHEMBL1630578 | 56360 | None | 12 | Human | Binding | pAC50 | = | 5.2 | 5.2 | - | 6 | 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 | 10.1038/s41467-023-40064-9 | |||
1712 | 2492 | None | 34 | Human | Binding | pAC50 | = | 7.2 | 7.2 | -6 | 21 | ChEMBL | 386 | 4 | 0 | 4 | 4.9 | CN1CCCCC1CCN1c2ccccc2Sc2c1cc(cc2)S(=O)C | 10.1038/s41467-023-40064-9 | |||
4078 | 2492 | None | 34 | Human | Binding | pAC50 | = | 7.2 | 7.2 | -6 | 21 | ChEMBL | 386 | 4 | 0 | 4 | 4.9 | CN1CCCCC1CCN1c2ccccc2Sc2c1cc(cc2)S(=O)C | 10.1038/s41467-023-40064-9 | |||
4078.0 | 2492 | None | 34 | Human | Binding | pAC50 | = | 7.2 | 7.2 | -6 | 21 | ChEMBL | 386 | 4 | 0 | 4 | 4.9 | CN1CCCCC1CCN1c2ccccc2Sc2c1cc(cc2)S(=O)C | 10.1038/s41467-023-40064-9 | |||
7227 | 2492 | None | 34 | Human | Binding | pAC50 | = | 7.2 | 7.2 | -6 | 21 | ChEMBL | 386 | 4 | 0 | 4 | 4.9 | CN1CCCCC1CCN1c2ccccc2Sc2c1cc(cc2)S(=O)C | 10.1038/s41467-023-40064-9 | |||
CHEMBL1088 | 2492 | None | 34 | Human | Binding | pAC50 | = | 7.2 | 7.2 | -6 | 21 | ChEMBL | 386 | 4 | 0 | 4 | 4.9 | CN1CCCCC1CCN1c2ccccc2Sc2c1cc(cc2)S(=O)C | 10.1038/s41467-023-40064-9 | |||
DB00933 | 2492 | None | 34 | Human | Binding | pAC50 | = | 7.2 | 7.2 | -6 | 21 | ChEMBL | 386 | 4 | 0 | 4 | 4.9 | CN1CCCCC1CCN1c2ccccc2Sc2c1cc(cc2)S(=O)C | 10.1038/s41467-023-40064-9 | |||
2771 | 197264 | None | 50 | Human | Binding | pAC50 | = | 5.1 | 5.1 | -120 | 26 | ChEMBL | 324 | 5 | 0 | 3 | 3.8 | CN(C)CCCC1(c2ccc(F)cc2)OCc2cc(C#N)ccc21 | 10.1038/s41467-023-40064-9 | |||
CHEMBL1200781 | 197264 | None | 50 | Human | Binding | pAC50 | = | 5.1 | 5.1 | -120 | 26 | ChEMBL | 324 | 5 | 0 | 3 | 3.8 | CN(C)CCCC1(c2ccc(F)cc2)OCc2cc(C#N)ccc21 | 10.1038/s41467-023-40064-9 | |||
CHEMBL549 | 197264 | None | 50 | Human | Binding | pAC50 | = | 5.1 | 5.1 | -120 | 26 | ChEMBL | 324 | 5 | 0 | 3 | 3.8 | CN(C)CCCC1(c2ccc(F)cc2)OCc2cc(C#N)ccc21 | 10.1038/s41467-023-40064-9 | |||
135409453 | 3773 | None | 26 | Human | Binding | pAC50 | = | 6.1 | 6.1 | - | 19 | ChEMBL | 301 | 7 | 3 | 3 | 2.6 | CCCCCN=C(N/N=C/c1c[nH]c2c1cc(OC)cc2)N | 10.1038/s41467-023-40064-9 | |||
226 | 3773 | None | 26 | Human | Binding | pAC50 | = | 6.1 | 6.1 | - | 19 | ChEMBL | 301 | 7 | 3 | 3 | 2.6 | CCCCCN=C(N/N=C/c1c[nH]c2c1cc(OC)cc2)N | 10.1038/s41467-023-40064-9 | |||
CHEMBL76370 | 3773 | None | 26 | Human | Binding | pAC50 | = | 6.1 | 6.1 | - | 19 | ChEMBL | 301 | 7 | 3 | 3 | 2.6 | CCCCCN=C(N/N=C/c1c[nH]c2c1cc(OC)cc2)N | 10.1038/s41467-023-40064-9 | |||
2446 | 154743 | None | 46 | Human | Binding | pAC50 | = | 5.1 | 5.1 | - | 1 | ChEMBL | 343 | 7 | 2 | 4 | 2.1 | CCN(CC)CCNC(=O)c1cc(Br)c(N)cc1OC | 10.1038/s41467-023-40064-9 | |||
2446.0 | 154743 | None | 46 | Human | Binding | pAC50 | = | 5.1 | 5.1 | - | 1 | ChEMBL | 343 | 7 | 2 | 4 | 2.1 | CCN(CC)CCNC(=O)c1cc(Br)c(N)cc1OC | 10.1038/s41467-023-40064-9 | |||
CHEMBL399510 | 154743 | None | 46 | Human | Binding | pAC50 | = | 5.1 | 5.1 | - | 1 | ChEMBL | 343 | 7 | 2 | 4 | 2.1 | CCN(CC)CCNC(=O)c1cc(Br)c(N)cc1OC | 10.1038/s41467-023-40064-9 | |||
DB09018 | 154743 | None | 46 | Human | Binding | pAC50 | = | 5.1 | 5.1 | - | 1 | ChEMBL | 343 | 7 | 2 | 4 | 2.1 | CCN(CC)CCNC(=O)c1cc(Br)c(N)cc1OC | 10.1038/s41467-023-40064-9 | |||
681 | 1465 | None | 47 | Human | Binding | pAC50 | = | 6.1 | 6.1 | -154 | 38 | ChEMBL | 153 | 2 | 3 | 3 | 0.6 | NCCc1ccc(c(c1)O)O | 10.1038/s41467-023-40064-9 | |||
681.0 | 1465 | None | 47 | Human | Binding | pAC50 | = | 6.1 | 6.1 | -154 | 38 | ChEMBL | 153 | 2 | 3 | 3 | 0.6 | NCCc1ccc(c(c1)O)O | 10.1038/s41467-023-40064-9 | |||
940 | 1465 | None | 47 | Human | Binding | pAC50 | = | 6.1 | 6.1 | -154 | 38 | ChEMBL | 153 | 2 | 3 | 3 | 0.6 | NCCc1ccc(c(c1)O)O | 10.1038/s41467-023-40064-9 | |||
947 | 1465 | None | 47 | Human | Binding | pAC50 | = | 6.1 | 6.1 | -154 | 38 | ChEMBL | 153 | 2 | 3 | 3 | 0.6 | NCCc1ccc(c(c1)O)O | 10.1038/s41467-023-40064-9 | |||
CHEMBL59 | 1465 | None | 47 | Human | Binding | pAC50 | = | 6.1 | 6.1 | -154 | 38 | ChEMBL | 153 | 2 | 3 | 3 | 0.6 | NCCc1ccc(c(c1)O)O | 10.1038/s41467-023-40064-9 | |||
DB00988 | 1465 | None | 47 | Human | Binding | pAC50 | = | 6.1 | 6.1 | -154 | 38 | ChEMBL | 153 | 2 | 3 | 3 | 0.6 | NCCc1ccc(c(c1)O)O | 10.1038/s41467-023-40064-9 | |||
3103 | 41672 | None | 36 | Human | Binding | pAC50 | = | 5.1 | 5.1 | - | 4 | ChEMBL | 281 | 4 | 0 | 2 | 3.9 | CN1CCC(OC(c2ccccc2)c2ccccc2)CC1 | 10.1038/s41467-023-40064-9 | |||
3103.0 | 41672 | None | 36 | Human | Binding | pAC50 | = | 5.1 | 5.1 | - | 4 | ChEMBL | 281 | 4 | 0 | 2 | 3.9 | CN1CCC(OC(c2ccccc2)c2ccccc2)CC1 | 10.1038/s41467-023-40064-9 | |||
CHEMBL1492 | 41672 | None | 36 | Human | Binding | pAC50 | = | 5.1 | 5.1 | - | 4 | ChEMBL | 281 | 4 | 0 | 2 | 3.9 | CN1CCC(OC(c2ccccc2)c2ccccc2)CC1 | 10.1038/s41467-023-40064-9 | |||
DB01146 | 41672 | None | 36 | Human | Binding | pAC50 | = | 5.1 | 5.1 | - | 4 | ChEMBL | 281 | 4 | 0 | 2 | 3.9 | CN1CCC(OC(c2ccccc2)c2ccccc2)CC1 | 10.1038/s41467-023-40064-9 | |||
135398745 | 2914 | None | 65 | Human | Binding | pAC50 | = | 7.1 | 7.1 | -26 | 65 | ChEMBL | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | 10.1038/s41467-023-40064-9 | |||
135398745.0 | 2914 | None | 65 | Human | Binding | pAC50 | = | 7.1 | 7.1 | -26 | 65 | ChEMBL | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | 10.1038/s41467-023-40064-9 | |||
47 | 2914 | None | 65 | Human | Binding | pAC50 | = | 7.1 | 7.1 | -26 | 65 | ChEMBL | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | 10.1038/s41467-023-40064-9 | |||
CHEMBL715 | 2914 | None | 65 | Human | Binding | pAC50 | = | 7.1 | 7.1 | -26 | 65 | ChEMBL | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | 10.1038/s41467-023-40064-9 | |||
DB00334 | 2914 | None | 65 | Human | Binding | pAC50 | = | 7.1 | 7.1 | -26 | 65 | ChEMBL | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | 10.1038/s41467-023-40064-9 | |||
212 | 3806 | None | 35 | Human | Binding | pAC50 | = | 7.1 | 7.1 | -6 | 25 | 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 | None | 35 | Human | Binding | pAC50 | = | 7.1 | 7.1 | -6 | 25 | 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 | None | 35 | Human | Binding | pAC50 | = | 7.1 | 7.1 | -6 | 25 | 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 | |||
941651.0 | 3806 | None | 35 | Human | Binding | pAC50 | = | 7.1 | 7.1 | -6 | 25 | 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 | None | 35 | Human | Binding | pAC50 | = | 7.1 | 7.1 | -6 | 25 | 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 | None | 35 | Human | Binding | pAC50 | = | 7.1 | 7.1 | -6 | 25 | 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 | |||
242 | 470 | None | 70 | Human | Binding | pAC50 | = | 5.1 | 5.1 | -281 | 51 | 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 | None | 70 | Human | Binding | pAC50 | = | 5.1 | 5.1 | -281 | 51 | 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 | None | 70 | Human | Binding | pAC50 | = | 5.1 | 5.1 | -281 | 51 | ChEMBL | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | 10.1038/s41467-023-40064-9 | |||
60795.0 | 470 | None | 70 | Human | Binding | pAC50 | = | 5.1 | 5.1 | -281 | 51 | 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 | None | 70 | Human | Binding | pAC50 | = | 5.1 | 5.1 | -281 | 51 | 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 | None | 70 | Human | Binding | pAC50 | = | 5.1 | 5.1 | -281 | 51 | ChEMBL | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | 10.1038/s41467-023-40064-9 | |||
3952 | 1888 | None | 32 | Human | Binding | pAC50 | = | 5.1 | 5.1 | - | 12 | ChEMBL | 230 | 2 | 2 | 2 | 1.6 | NC(=N/N=C\c1c(Cl)cccc1Cl)N | 10.1038/s41467-023-40064-9 | |||
5353646 | 1888 | None | 32 | Human | Binding | pAC50 | = | 5.1 | 5.1 | - | 12 | ChEMBL | 230 | 2 | 2 | 2 | 1.6 | NC(=N/N=C\c1c(Cl)cccc1Cl)N | 10.1038/s41467-023-40064-9 | |||
5353646.0 | 1888 | None | 32 | Human | Binding | pAC50 | = | 5.1 | 5.1 | - | 12 | ChEMBL | 230 | 2 | 2 | 2 | 1.6 | NC(=N/N=C\c1c(Cl)cccc1Cl)N | 10.1038/s41467-023-40064-9 | |||
5443 | 1888 | None | 32 | Human | Binding | pAC50 | = | 5.1 | 5.1 | - | 12 | ChEMBL | 230 | 2 | 2 | 2 | 1.6 | NC(=N/N=C\c1c(Cl)cccc1Cl)N | 10.1038/s41467-023-40064-9 | |||
5702063 | 1888 | None | 32 | Human | Binding | pAC50 | = | 5.1 | 5.1 | - | 12 | ChEMBL | 230 | 2 | 2 | 2 | 1.6 | NC(=N/N=C\c1c(Cl)cccc1Cl)N | 10.1038/s41467-023-40064-9 | |||
5702063.0 | 1888 | None | 32 | Human | Binding | pAC50 | = | 5.1 | 5.1 | - | 12 | ChEMBL | 230 | 2 | 2 | 2 | 1.6 | NC(=N/N=C\c1c(Cl)cccc1Cl)N | 10.1038/s41467-023-40064-9 | |||
CHEMBL1331786 | 1888 | None | 32 | Human | Binding | pAC50 | = | 5.1 | 5.1 | - | 12 | ChEMBL | 230 | 2 | 2 | 2 | 1.6 | NC(=N/N=C\c1c(Cl)cccc1Cl)N | 10.1038/s41467-023-40064-9 | |||
CHEMBL420 | 1888 | None | 32 | Human | Binding | pAC50 | = | 5.1 | 5.1 | - | 12 | ChEMBL | 230 | 2 | 2 | 2 | 1.6 | NC(=N/N=C\c1c(Cl)cccc1Cl)N | 10.1038/s41467-023-40064-9 | |||
DB00629 | 1888 | None | 32 | Human | Binding | pAC50 | = | 5.1 | 5.1 | - | 12 | ChEMBL | 230 | 2 | 2 | 2 | 1.6 | NC(=N/N=C\c1c(Cl)cccc1Cl)N | 10.1038/s41467-023-40064-9 | |||
2389 | 3331 | None | 72 | Human | Binding | pAC50 | = | 7.1 | 7.1 | -478 | 67 | 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 | None | 72 | Human | Binding | pAC50 | = | 7.1 | 7.1 | -478 | 67 | ChEMBL | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | 10.1038/s41467-023-40064-9 | |||
5073.0 | 3331 | None | 72 | Human | Binding | pAC50 | = | 7.1 | 7.1 | -478 | 67 | 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 | None | 72 | Human | Binding | pAC50 | = | 7.1 | 7.1 | -478 | 67 | 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 | None | 72 | Human | Binding | pAC50 | = | 7.1 | 7.1 | -478 | 67 | 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 | None | 72 | Human | Binding | pAC50 | = | 7.1 | 7.1 | -478 | 67 | ChEMBL | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | 10.1038/s41467-023-40064-9 | |||
129893322 | 28626 | None | 43 | Human | Binding | pAC50 | = | 5.1 | 5.1 | - | 0 | ChEMBL | 253 | 2 | 5 | 2 | 2.2 | CC(C)NC(=N)NC(=N)Nc1ccc(Cl)cc1 | 10.1038/s41467-023-40064-9 | |||
4923 | 28626 | None | 43 | Human | Binding | pAC50 | = | 5.1 | 5.1 | - | 0 | ChEMBL | 253 | 2 | 5 | 2 | 2.2 | CC(C)NC(=N)NC(=N)Nc1ccc(Cl)cc1 | 10.1038/s41467-023-40064-9 | |||
5353897 | 28626 | None | 43 | Human | Binding | pAC50 | = | 5.1 | 5.1 | - | 0 | ChEMBL | 253 | 2 | 5 | 2 | 2.2 | CC(C)NC(=N)NC(=N)Nc1ccc(Cl)cc1 | 10.1038/s41467-023-40064-9 | |||
6178111 | 28626 | None | 43 | Human | Binding | pAC50 | = | 5.1 | 5.1 | - | 0 | ChEMBL | 253 | 2 | 5 | 2 | 2.2 | CC(C)NC(=N)NC(=N)Nc1ccc(Cl)cc1 | 10.1038/s41467-023-40064-9 | |||
CHEMBL1377 | 28626 | None | 43 | Human | Binding | pAC50 | = | 5.1 | 5.1 | - | 0 | ChEMBL | 253 | 2 | 5 | 2 | 2.2 | CC(C)NC(=N)NC(=N)Nc1ccc(Cl)cc1 | 10.1038/s41467-023-40064-9 | |||
2337 | 3256 | None | 51 | Human | Binding | pAC50 | = | 6.1 | 6.1 | -53 | 62 | ChEMBL | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | 10.1038/s41467-023-40064-9 | |||
50 | 3256 | None | 51 | Human | Binding | pAC50 | = | 6.1 | 6.1 | -53 | 62 | ChEMBL | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | 10.1038/s41467-023-40064-9 | |||
5002 | 3256 | None | 51 | Human | Binding | pAC50 | = | 6.1 | 6.1 | -53 | 62 | ChEMBL | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | 10.1038/s41467-023-40064-9 | |||
5002.0 | 3256 | None | 51 | Human | Binding | pAC50 | = | 6.1 | 6.1 | -53 | 62 | ChEMBL | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | 10.1038/s41467-023-40064-9 | |||
CHEMBL716 | 3256 | None | 51 | Human | Binding | pAC50 | = | 6.1 | 6.1 | -53 | 62 | ChEMBL | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | 10.1038/s41467-023-40064-9 | |||
DB01224 | 3256 | None | 51 | Human | Binding | pAC50 | = | 6.1 | 6.1 | -53 | 62 | ChEMBL | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | 10.1038/s41467-023-40064-9 | |||
1209 | 1658 | None | 52 | Human | Binding | pAC50 | = | 5.1 | 5.1 | - | 31 | ChEMBL | 309 | 6 | 1 | 2 | 4.4 | CNCCC(c1ccccc1)Oc1ccc(cc1)C(F)(F)F | 10.1038/s41467-023-40064-9 | |||
203 | 1658 | None | 52 | Human | Binding | pAC50 | = | 5.1 | 5.1 | - | 31 | ChEMBL | 309 | 6 | 1 | 2 | 4.4 | CNCCC(c1ccccc1)Oc1ccc(cc1)C(F)(F)F | 10.1038/s41467-023-40064-9 | |||
3386 | 1658 | None | 52 | Human | Binding | pAC50 | = | 5.1 | 5.1 | - | 31 | ChEMBL | 309 | 6 | 1 | 2 | 4.4 | CNCCC(c1ccccc1)Oc1ccc(cc1)C(F)(F)F | 10.1038/s41467-023-40064-9 | |||
CHEMBL41 | 1658 | None | 52 | Human | Binding | pAC50 | = | 5.1 | 5.1 | - | 31 | ChEMBL | 309 | 6 | 1 | 2 | 4.4 | CNCCC(c1ccccc1)Oc1ccc(cc1)C(F)(F)F | 10.1038/s41467-023-40064-9 | |||
DB00472 | 1658 | None | 52 | Human | Binding | pAC50 | = | 5.1 | 5.1 | - | 31 | ChEMBL | 309 | 6 | 1 | 2 | 4.4 | CNCCC(c1ccccc1)Oc1ccc(cc1)C(F)(F)F | 10.1038/s41467-023-40064-9 | |||
5591 | 157623 | None | 57 | Human | Binding | pAC50 | = | 5.1 | 5.1 | - | 2 | ChEMBL | 441 | 5 | 2 | 6 | 4.4 | Cc1c(C)c2c(c(C)c1O)CCC(C)(COc1ccc(CC3SC(=O)NC3=O)cc1)O2 | 10.1038/s41467-023-40064-9 | |||
CHEMBL408 | 157623 | None | 57 | Human | Binding | pAC50 | = | 5.1 | 5.1 | - | 2 | ChEMBL | 441 | 5 | 2 | 6 | 4.4 | Cc1c(C)c2c(c(C)c1O)CCC(C)(COc1ccc(CC3SC(=O)NC3=O)cc1)O2 | 10.1038/s41467-023-40064-9 | |||
3280 | 48463 | None | 17 | Human | Binding | pAC50 | = | 5.1 | 5.1 | - | 0 | ChEMBL | 395 | 10 | 0 | 5 | 5.4 | CCOc1ccc(Cc2nccc3cc(OCC)c(OCC)cc23)cc1OCC | 10.1038/s41467-023-40064-9 | |||
CHEMBL1555736 | 48463 | None | 17 | Human | Binding | pAC50 | = | 5.1 | 5.1 | - | 0 | ChEMBL | 395 | 10 | 0 | 5 | 5.4 | CCOc1ccc(Cc2nccc3cc(OCC)c(OCC)cc23)cc1OCC | 10.1038/s41467-023-40064-9 | |||
4209 | 3163 | None | 48 | Human | Binding | pAC50 | = | 5.1 | 5.1 | - | 35 | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1038/s41467-023-40064-9 | |||
4893 | 3163 | None | 48 | Human | Binding | pAC50 | = | 5.1 | 5.1 | - | 35 | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1038/s41467-023-40064-9 | |||
4893.0 | 3163 | None | 48 | Human | Binding | pAC50 | = | 5.1 | 5.1 | - | 35 | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1038/s41467-023-40064-9 | |||
503 | 3163 | None | 48 | Human | Binding | pAC50 | = | 5.1 | 5.1 | - | 35 | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1038/s41467-023-40064-9 | |||
5385 | 3163 | None | 48 | Human | Binding | pAC50 | = | 5.1 | 5.1 | - | 35 | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1038/s41467-023-40064-9 | |||
CHEMBL2 | 3163 | None | 48 | Human | Binding | pAC50 | = | 5.1 | 5.1 | - | 35 | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1038/s41467-023-40064-9 | |||
DB00457 | 3163 | None | 48 | Human | Binding | pAC50 | = | 5.1 | 5.1 | - | 35 | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1038/s41467-023-40064-9 | |||
3053 | 207592 | None | 64 | Human | Binding | pAC50 | = | 5.1 | 5.1 | - | 0 | ChEMBL | 393 | 16 | 5 | 8 | -2.7 | O=C(O)CN(CCN(CC(=O)O)CC(=O)O)CCN(CC(=O)O)CC(=O)O | 10.1038/s41467-023-40064-9 | |||
CHEMBL780 | 207592 | None | 64 | Human | Binding | pAC50 | = | 5.1 | 5.1 | - | 0 | ChEMBL | 393 | 16 | 5 | 8 | -2.7 | O=C(O)CN(CCN(CC(=O)O)CC(=O)O)CCN(CC(=O)O)CC(=O)O | 10.1038/s41467-023-40064-9 | |||
5205 | 78216 | None | 42 | Human | Binding | pAC50 | = | 7.1 | 7.1 | - | 0 | ChEMBL | 261 | 0 | 0 | 1 | 3.8 | CN1CCC2=C(C1)c1ccccc1Cc1ccccc12 | 10.1038/s41467-023-40064-9 | |||
CHEMBL2104895 | 78216 | None | 42 | Human | Binding | pAC50 | = | 7.1 | 7.1 | - | 0 | ChEMBL | 261 | 0 | 0 | 1 | 3.8 | CN1CCC2=C(C1)c1ccccc1Cc1ccccc12 | 10.1038/s41467-023-40064-9 | |||
16119814 | 56359 | None | 20 | Human | Binding | pAC50 | = | 5.1 | 5.1 | - | 0 | ChEMBL | 1093 | 23 | 16 | 18 | -3.3 | CC[C@H](C)C[C@H](C)CCCCCCCCC(=O)N[C@H]1C[C@@H](O)[C@@H](NCCN)NC(=O)[C@@H]2[C@@H](O)CCN2C(=O)[C@H]([C@H](O)CCN)NC(=O)[C@H]([C@H](O)[C@@H](O)c2ccc(O)cc2)NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@H]([C@@H](C)O)NC1=O | 10.1038/s41467-023-40064-9 | |||
CHEMBL1630575 | 56359 | None | 20 | Human | Binding | pAC50 | = | 5.1 | 5.1 | - | 0 | ChEMBL | 1093 | 23 | 16 | 18 | -3.3 | CC[C@H](C)C[C@H](C)CCCCCCCCC(=O)N[C@H]1C[C@@H](O)[C@@H](NCCN)NC(=O)[C@@H]2[C@@H](O)CCN2C(=O)[C@H]([C@H](O)CCN)NC(=O)[C@H]([C@H](O)[C@@H](O)c2ccc(O)cc2)NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@H]([C@@H](C)O)NC1=O | 10.1038/s41467-023-40064-9 | |||
443869 | 78170 | None | 28 | Human | Binding | pAC50 | = | 5.1 | 5.1 | - | 0 | ChEMBL | 491 | 7 | 1 | 8 | 3.8 | COC(=O)C1=C(C)NC(C)=C(C(=O)O[C@H]2CCN(Cc3ccccc3)C2)[C@H]1c1cccc([N+](=O)[O-])c1 | 10.1038/s41467-023-40064-9 | |||
CHEMBL2103761 | 78170 | None | 28 | Human | Binding | pAC50 | = | 5.1 | 5.1 | - | 0 | ChEMBL | 491 | 7 | 1 | 8 | 3.8 | COC(=O)C1=C(C)NC(C)=C(C(=O)O[C@H]2CCN(Cc3ccccc3)C2)[C@H]1c1cccc([N+](=O)[O-])c1 | 10.1038/s41467-023-40064-9 | |||
1353 | 1911 | None | 63 | Human | Binding | pAC50 | = | 8 | 8.0 | -38 | 85 | 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 | None | 63 | Human | Binding | pAC50 | = | 8 | 8.0 | -38 | 85 | ChEMBL | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | 10.1038/s41467-023-40064-9 | |||
3559.0 | 1911 | None | 63 | Human | Binding | pAC50 | = | 8 | 8.0 | -38 | 85 | 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 | None | 63 | Human | Binding | pAC50 | = | 8 | 8.0 | -38 | 85 | 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 | None | 63 | Human | Binding | pAC50 | = | 8 | 8.0 | -38 | 85 | 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 | None | 63 | Human | Binding | pAC50 | = | 8 | 8.0 | -38 | 85 | ChEMBL | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | 10.1038/s41467-023-40064-9 | |||
2600 | 3779 | None | 53 | Human | Binding | pAC50 | = | 5.0 | 5.0 | -7 | 13 | 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 | None | 53 | Human | Binding | pAC50 | = | 5.0 | 5.0 | -7 | 13 | 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 | None | 53 | Human | Binding | pAC50 | = | 5.0 | 5.0 | -7 | 13 | 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 | None | 53 | Human | Binding | pAC50 | = | 5.0 | 5.0 | -7 | 13 | 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 | None | 53 | Human | Binding | pAC50 | = | 5.0 | 5.0 | -7 | 13 | 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 | |||
180 | 401 | None | 38 | Human | Binding | pAC50 | = | 7.0 | 7.0 | -109 | 39 | ChEMBL | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | 10.1038/s41467-023-40064-9 | |||
200 | 401 | None | 38 | Human | Binding | pAC50 | = | 7.0 | 7.0 | -109 | 39 | ChEMBL | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | 10.1038/s41467-023-40064-9 | |||
2160 | 401 | None | 38 | Human | Binding | pAC50 | = | 7.0 | 7.0 | -109 | 39 | ChEMBL | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | 10.1038/s41467-023-40064-9 | |||
2160.0 | 401 | None | 38 | Human | Binding | pAC50 | = | 7.0 | 7.0 | -109 | 39 | ChEMBL | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | 10.1038/s41467-023-40064-9 | |||
CHEMBL629 | 401 | None | 38 | Human | Binding | pAC50 | = | 7.0 | 7.0 | -109 | 39 | ChEMBL | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | 10.1038/s41467-023-40064-9 | |||
DB00321 | 401 | None | 38 | Human | Binding | pAC50 | = | 7.0 | 7.0 | -109 | 39 | ChEMBL | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | 10.1038/s41467-023-40064-9 | |||
2580 | 78426 | None | 10 | Human | Binding | pAC50 | = | 7.0 | 7.0 | - | 2 | ChEMBL | 446 | 6 | 1 | 4 | 4.1 | NC(=O)C1(N2CCCCC2)CCN(CCCN2c3ccccc3CCc3ccccc32)CC1 | 10.1038/s41467-023-40064-9 | |||
CHEMBL2110775 | 78426 | None | 10 | Human | Binding | pAC50 | = | 7.0 | 7.0 | - | 2 | ChEMBL | 446 | 6 | 1 | 4 | 4.1 | NC(=O)C1(N2CCCCC2)CCN(CCCN2c3ccccc3CCc3ccccc32)CC1 | 10.1038/s41467-023-40064-9 | |||
4756 | 16656 | None | 34 | Human | Binding | pAC50 | = | 5.0 | 5.0 | - | 0 | ChEMBL | 213 | 2 | 2 | 5 | 2.7 | Nc1ccc(/N=N/c2ccccc2)c(N)n1 | 10.1038/s41467-023-40064-9 | |||
CHEMBL1201022 | 16656 | None | 34 | Human | Binding | pAC50 | = | 5.0 | 5.0 | - | 0 | ChEMBL | 213 | 2 | 2 | 5 | 2.7 | Nc1ccc(/N=N/c2ccccc2)c(N)n1 | 10.1038/s41467-023-40064-9 | |||
CHEMBL1242 | 16656 | None | 34 | Human | Binding | pAC50 | = | 5.0 | 5.0 | - | 0 | ChEMBL | 213 | 2 | 2 | 5 | 2.7 | Nc1ccc(/N=N/c2ccccc2)c(N)n1 | 10.1038/s41467-023-40064-9 | |||
1153 | 1628 | None | 36 | Human | Binding | pAC50 | = | 7.0 | 7.0 | -32 | 10 | ChEMBL | 305 | 1 | 4 | 4 | 2.7 | Oc1ccc(cc1)C1CNCCc2c1cc(O)c(c2Cl)O | 10.1038/s41467-023-40064-9 | |||
12668023 | 1628 | None | 36 | Human | Binding | pAC50 | = | 7.0 | 7.0 | -32 | 10 | ChEMBL | 305 | 1 | 4 | 4 | 2.7 | Oc1ccc(cc1)C1CNCCc2c1cc(O)c(c2Cl)O | 10.1038/s41467-023-40064-9 | |||
30026874 | 1628 | None | 36 | Human | Binding | pAC50 | = | 7.0 | 7.0 | -32 | 10 | ChEMBL | 305 | 1 | 4 | 4 | 2.7 | Oc1ccc(cc1)C1CNCCc2c1cc(O)c(c2Cl)O | 10.1038/s41467-023-40064-9 | |||
30026875 | 1628 | None | 36 | Human | Binding | pAC50 | = | 7.0 | 7.0 | -32 | 10 | ChEMBL | 305 | 1 | 4 | 4 | 2.7 | Oc1ccc(cc1)C1CNCCc2c1cc(O)c(c2Cl)O | 10.1038/s41467-023-40064-9 | |||
3341 | 1628 | None | 36 | Human | Binding | pAC50 | = | 7.0 | 7.0 | -32 | 10 | ChEMBL | 305 | 1 | 4 | 4 | 2.7 | Oc1ccc(cc1)C1CNCCc2c1cc(O)c(c2Cl)O | 10.1038/s41467-023-40064-9 | |||
3341.0 | 1628 | None | 36 | Human | Binding | pAC50 | = | 7.0 | 7.0 | -32 | 10 | ChEMBL | 305 | 1 | 4 | 4 | 2.7 | Oc1ccc(cc1)C1CNCCc2c1cc(O)c(c2Cl)O | 10.1038/s41467-023-40064-9 | |||
6603851 | 1628 | None | 36 | Human | Binding | pAC50 | = | 7.0 | 7.0 | -32 | 10 | ChEMBL | 305 | 1 | 4 | 4 | 2.7 | Oc1ccc(cc1)C1CNCCc2c1cc(O)c(c2Cl)O | 10.1038/s41467-023-40064-9 | |||
933 | 1628 | None | 36 | Human | Binding | pAC50 | = | 7.0 | 7.0 | -32 | 10 | ChEMBL | 305 | 1 | 4 | 4 | 2.7 | Oc1ccc(cc1)C1CNCCc2c1cc(O)c(c2Cl)O | 10.1038/s41467-023-40064-9 | |||
939 | 1628 | None | 36 | Human | Binding | pAC50 | = | 7.0 | 7.0 | -32 | 10 | ChEMBL | 305 | 1 | 4 | 4 | 2.7 | Oc1ccc(cc1)C1CNCCc2c1cc(O)c(c2Cl)O | 10.1038/s41467-023-40064-9 | |||
985 | 1628 | None | 36 | Human | Binding | pAC50 | = | 7.0 | 7.0 | -32 | 10 | ChEMBL | 305 | 1 | 4 | 4 | 2.7 | Oc1ccc(cc1)C1CNCCc2c1cc(O)c(c2Cl)O | 10.1038/s41467-023-40064-9 | |||
CHEMBL1160786 | 1628 | None | 36 | Human | Binding | pAC50 | = | 7.0 | 7.0 | -32 | 10 | ChEMBL | 305 | 1 | 4 | 4 | 2.7 | Oc1ccc(cc1)C1CNCCc2c1cc(O)c(c2Cl)O | 10.1038/s41467-023-40064-9 | |||
CHEMBL1161520 | 1628 | None | 36 | Human | Binding | pAC50 | = | 7.0 | 7.0 | -32 | 10 | ChEMBL | 305 | 1 | 4 | 4 | 2.7 | Oc1ccc(cc1)C1CNCCc2c1cc(O)c(c2Cl)O | 10.1038/s41467-023-40064-9 | |||
CHEMBL588 | 1628 | None | 36 | Human | Binding | pAC50 | = | 7.0 | 7.0 | -32 | 10 | ChEMBL | 305 | 1 | 4 | 4 | 2.7 | Oc1ccc(cc1)C1CNCCc2c1cc(O)c(c2Cl)O | 10.1038/s41467-023-40064-9 | |||
DB00800 | 1628 | None | 36 | Human | Binding | pAC50 | = | 7.0 | 7.0 | -32 | 10 | ChEMBL | 305 | 1 | 4 | 4 | 2.7 | Oc1ccc(cc1)C1CNCCc2c1cc(O)c(c2Cl)O | 10.1038/s41467-023-40064-9 | |||
1353 | 1911 | None | 63 | Human | Binding | pAC50 | = | 7.0 | 7.0 | -38 | 85 | 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 | None | 63 | Human | Binding | pAC50 | = | 7.0 | 7.0 | -38 | 85 | ChEMBL | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | 10.1038/s41467-023-40064-9 | |||
3559.0 | 1911 | None | 63 | Human | Binding | pAC50 | = | 7.0 | 7.0 | -38 | 85 | 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 | None | 63 | Human | Binding | pAC50 | = | 7.0 | 7.0 | -38 | 85 | 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 | None | 63 | Human | Binding | pAC50 | = | 7.0 | 7.0 | -38 | 85 | 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 | None | 63 | Human | Binding | pAC50 | = | 7.0 | 7.0 | -38 | 85 | ChEMBL | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | 10.1038/s41467-023-40064-9 | |||
135409453 | 3773 | None | 26 | Human | Binding | pAC50 | = | 6.0 | 6.0 | - | 19 | ChEMBL | 301 | 7 | 3 | 3 | 2.6 | CCCCCN=C(N/N=C/c1c[nH]c2c1cc(OC)cc2)N | 10.1038/s41467-023-40064-9 | |||
226 | 3773 | None | 26 | Human | Binding | pAC50 | = | 6.0 | 6.0 | - | 19 | ChEMBL | 301 | 7 | 3 | 3 | 2.6 | CCCCCN=C(N/N=C/c1c[nH]c2c1cc(OC)cc2)N | 10.1038/s41467-023-40064-9 | |||
CHEMBL76370 | 3773 | None | 26 | Human | Binding | pAC50 | = | 6.0 | 6.0 | - | 19 | ChEMBL | 301 | 7 | 3 | 3 | 2.6 | CCCCCN=C(N/N=C/c1c[nH]c2c1cc(OC)cc2)N | 10.1038/s41467-023-40064-9 | |||
3783 | 14010 | None | 16 | Human | Binding | pAC50 | = | 5.0 | 5.0 | - | 0 | ChEMBL | 301 | 7 | 3 | 4 | 2.9 | CC(COc1ccccc1)NC(C)C(O)c1ccc(O)cc1 | 10.1038/s41467-023-40064-9 | |||
CHEMBL1197051 | 14010 | None | 16 | Human | Binding | pAC50 | = | 5.0 | 5.0 | - | 0 | ChEMBL | 301 | 7 | 3 | 4 | 2.9 | CC(COc1ccccc1)NC(C)C(O)c1ccc(O)cc1 | 10.1038/s41467-023-40064-9 | |||
6075 | 150196 | None | 34 | Human | Binding | pAC50 | = | 5.0 | 5.0 | - | 16 | ChEMBL | 310 | 2 | 0 | 3 | 4.6 | CN1CCCC(CN2c3ccccc3Sc3ccccc32)C1 | 10.1038/s41467-023-40064-9 | |||
CHEMBL395110 | 150196 | None | 34 | Human | Binding | pAC50 | = | 5.0 | 5.0 | - | 16 | ChEMBL | 310 | 2 | 0 | 3 | 4.6 | CN1CCCC(CN2c3ccccc3Sc3ccccc32)C1 | 10.1038/s41467-023-40064-9 | |||
4735 | 197545 | None | 57 | Human | Binding | pAC50 | = | 5.0 | 5.0 | - | 10 | ChEMBL | 340 | 10 | 4 | 4 | 2.9 | N=C(N)c1ccc(OCCCCCOc2ccc(C(=N)N)cc2)cc1 | 10.1038/s41467-023-40064-9 | |||
CHEMBL361506 | 197545 | None | 57 | Human | Binding | pAC50 | = | 5.0 | 5.0 | - | 10 | ChEMBL | 340 | 10 | 4 | 4 | 2.9 | N=C(N)c1ccc(OCCCCCOc2ccc(C(=N)N)cc2)cc1 | 10.1038/s41467-023-40064-9 | |||
CHEMBL55 | 197545 | None | 57 | Human | Binding | pAC50 | = | 5.0 | 5.0 | - | 10 | ChEMBL | 340 | 10 | 4 | 4 | 2.9 | N=C(N)c1ccc(OCCCCCOc2ccc(C(=N)N)cc2)cc1 | 10.1038/s41467-023-40064-9 | |||
4034 | 55838 | None | 37 | Human | Binding | pAC50 | = | 5.0 | 5.0 | - | 1 | ChEMBL | 390 | 5 | 0 | 2 | 5.6 | Cc1cccc(CN2CCN(C(c3ccccc3)c3ccc(Cl)cc3)CC2)c1 | 10.1038/s41467-023-40064-9 | |||
4034.0 | 55838 | None | 37 | Human | Binding | pAC50 | = | 5.0 | 5.0 | - | 1 | ChEMBL | 390 | 5 | 0 | 2 | 5.6 | Cc1cccc(CN2CCN(C(c3ccccc3)c3ccc(Cl)cc3)CC2)c1 | 10.1038/s41467-023-40064-9 | |||
CHEMBL1623 | 55838 | None | 37 | Human | Binding | pAC50 | = | 5.0 | 5.0 | - | 1 | ChEMBL | 390 | 5 | 0 | 2 | 5.6 | Cc1cccc(CN2CCN(C(c3ccccc3)c3ccc(Cl)cc3)CC2)c1 | 10.1038/s41467-023-40064-9 | |||
DB00737 | 55838 | None | 37 | Human | Binding | pAC50 | = | 5.0 | 5.0 | - | 1 | ChEMBL | 390 | 5 | 0 | 2 | 5.6 | Cc1cccc(CN2CCN(C(c3ccccc3)c3ccc(Cl)cc3)CC2)c1 | 10.1038/s41467-023-40064-9 | |||
2247 | 505 | None | 55 | Human | Binding | pAC50 | = | 6 | 6.0 | -61 | 41 | ChEMBL | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | 10.1038/s41467-023-40064-9 | |||
249 | 505 | None | 55 | Human | Binding | pAC50 | = | 6 | 6.0 | -61 | 41 | ChEMBL | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | 10.1038/s41467-023-40064-9 | |||
2603 | 505 | None | 55 | Human | Binding | pAC50 | = | 6 | 6.0 | -61 | 41 | ChEMBL | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | 10.1038/s41467-023-40064-9 | |||
CHEMBL296419 | 505 | None | 55 | Human | Binding | pAC50 | = | 6 | 6.0 | -61 | 41 | ChEMBL | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | 10.1038/s41467-023-40064-9 | |||
DB00637 | 505 | None | 55 | Human | Binding | pAC50 | = | 6 | 6.0 | -61 | 41 | ChEMBL | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | 10.1038/s41467-023-40064-9 | |||
146025821 | 169774 | None | 0 | Human | Binding | pEC50 | = | 9.4 | 9.4 | - | 0 | ChEMBL | 379 | 3 | 0 | 5 | 3.9 | CCc1cc2c(c(OC(C)=O)c1OC(C)=O)-c1cccc3c1[C@@H](C2)N(C)CC3 | 10.1021/acsmedchemlett.9b00575 | |||
CHEMBL4437552 | 169774 | None | 0 | Human | Binding | pEC50 | = | 9.4 | 9.4 | - | 0 | ChEMBL | 379 | 3 | 0 | 5 | 3.9 | CCc1cc2c(c(OC(C)=O)c1OC(C)=O)-c1cccc3c1[C@@H](C2)N(C)CC3 | 10.1021/acsmedchemlett.9b00575 | |||
146025821 | 169774 | None | 0 | Human | Binding | pEC50 | = | 9.4 | 9.4 | - | 0 | ChEMBL | 379 | 3 | 0 | 5 | 3.9 | CCc1cc2c(c(OC(C)=O)c1OC(C)=O)-c1cccc3c1[C@@H](C2)N(C)CC3 | 10.1021/acsmedchemlett.9b00575 | |||
CHEMBL4437552 | 169774 | None | 0 | Human | Binding | pEC50 | = | 9.4 | 9.4 | - | 0 | ChEMBL | 379 | 3 | 0 | 5 | 3.9 | CCc1cc2c(c(OC(C)=O)c1OC(C)=O)-c1cccc3c1[C@@H](C2)N(C)CC3 | 10.1021/acsmedchemlett.9b00575 | |||
146025817 | 176121 | None | 0 | Human | Binding | pEC50 | = | 9.1 | 9.1 | - | 0 | ChEMBL | 309 | 2 | 0 | 3 | 3.8 | COc1ccc2c(c1OC)-c1ccc(C)c3c1[C@@H](C2)N(C)CC3 | 10.1021/acsmedchemlett.9b00575 | |||
CHEMBL4589737 | 176121 | None | 0 | Human | Binding | pEC50 | = | 9.1 | 9.1 | - | 0 | ChEMBL | 309 | 2 | 0 | 3 | 3.8 | COc1ccc2c(c1OC)-c1ccc(C)c3c1[C@@H](C2)N(C)CC3 | 10.1021/acsmedchemlett.9b00575 | |||
146025817 | 176121 | None | 0 | Human | Binding | pEC50 | = | 9.1 | 9.1 | - | 0 | ChEMBL | 309 | 2 | 0 | 3 | 3.8 | COc1ccc2c(c1OC)-c1ccc(C)c3c1[C@@H](C2)N(C)CC3 | 10.1021/acsmedchemlett.9b00575 | |||
CHEMBL4589737 | 176121 | None | 0 | Human | Binding | pEC50 | = | 9.1 | 9.1 | - | 0 | ChEMBL | 309 | 2 | 0 | 3 | 3.8 | COc1ccc2c(c1OC)-c1ccc(C)c3c1[C@@H](C2)N(C)CC3 | 10.1021/acsmedchemlett.9b00575 | |||
146192964 | 174814 | None | 0 | Human | Binding | pEC50 | = | 8.0 | 8.0 | - | 0 | ChEMBL | 469 | 5 | 1 | 4 | 5.2 | C[C@H]1c2cccc(-c3cnn(C4CC4)c3)c2C[C@H](CO)N1C(=O)Cc1c(Cl)cccc1Cl | 10.1021/acs.jmedchem.1c01887 | |||
CHEMBL4559891 | 174814 | None | 0 | Human | Binding | pEC50 | = | 8.0 | 8.0 | - | 0 | ChEMBL | 469 | 5 | 1 | 4 | 5.2 | C[C@H]1c2cccc(-c3cnn(C4CC4)c3)c2C[C@H](CO)N1C(=O)Cc1c(Cl)cccc1Cl | 10.1021/acs.jmedchem.1c01887 | |||
681 | 1465 | None | 47 | Human | Binding | pEC50 | = | 7 | 7.0 | -154 | 38 | ChEMBL | 153 | 2 | 3 | 3 | 0.6 | NCCc1ccc(c(c1)O)O | 10.1021/jm00018a002 | |||
681.0 | 1465 | None | 47 | Human | Binding | pEC50 | = | 7 | 7.0 | -154 | 38 | ChEMBL | 153 | 2 | 3 | 3 | 0.6 | NCCc1ccc(c(c1)O)O | 10.1021/jm00018a002 | |||
940 | 1465 | None | 47 | Human | Binding | pEC50 | = | 7 | 7.0 | -154 | 38 | ChEMBL | 153 | 2 | 3 | 3 | 0.6 | NCCc1ccc(c(c1)O)O | 10.1021/jm00018a002 | |||
947 | 1465 | None | 47 | Human | Binding | pEC50 | = | 7 | 7.0 | -154 | 38 | ChEMBL | 153 | 2 | 3 | 3 | 0.6 | NCCc1ccc(c(c1)O)O | 10.1021/jm00018a002 | |||
CHEMBL59 | 1465 | None | 47 | Human | Binding | pEC50 | = | 7 | 7.0 | -154 | 38 | ChEMBL | 153 | 2 | 3 | 3 | 0.6 | NCCc1ccc(c(c1)O)O | 10.1021/jm00018a002 | |||
DB00988 | 1465 | None | 47 | Human | Binding | pEC50 | = | 7 | 7.0 | -154 | 38 | ChEMBL | 153 | 2 | 3 | 3 | 0.6 | NCCc1ccc(c(c1)O)O | 10.1021/jm00018a002 | |||
6852376 | 91633 | None | 9 | Rat | Binding | pEC50 | = | 7 | 7.0 | -4 | 5 | ChEMBL | 255 | 1 | 3 | 3 | 2.4 | Oc1cc2c(cc1O)[C@@H](c1ccccc1)CNCC2 | 10.1021/jm00041a025 | |||
CHEMBL1467585 | 91633 | None | 9 | Rat | Binding | pEC50 | = | 7 | 7.0 | -4 | 5 | ChEMBL | 255 | 1 | 3 | 3 | 2.4 | Oc1cc2c(cc1O)[C@@H](c1ccccc1)CNCC2 | 10.1021/jm00041a025 | |||
CHEMBL24077 | 91633 | None | 9 | Rat | Binding | pEC50 | = | 7 | 7.0 | -4 | 5 | ChEMBL | 255 | 1 | 3 | 3 | 2.4 | Oc1cc2c(cc1O)[C@@H](c1ccccc1)CNCC2 | 10.1021/jm00041a025 | |||
CHEMBL503958 | 91633 | None | 9 | Rat | Binding | pEC50 | = | 7 | 7.0 | -4 | 5 | ChEMBL | 255 | 1 | 3 | 3 | 2.4 | Oc1cc2c(cc1O)[C@@H](c1ccccc1)CNCC2 | 10.1021/jm00041a025 | |||
11938 | 2412 | None | 8 | Human | Binding | pEC50 | = | 7.9 | 7.9 | - | 0 | ChEMBL | 443 | 4 | 1 | 4 | 4.4 | C[C@H]1c2cccc(c3cn(C)nc3)c2C[C@H](CO)N1C(=O)Cc1c(Cl)cccc1Cl | 10.1021/acs.jmedchem.1c01887 | |||
146192952 | 2412 | None | 8 | Human | Binding | pEC50 | = | 7.9 | 7.9 | - | 0 | ChEMBL | 443 | 4 | 1 | 4 | 4.4 | C[C@H]1c2cccc(c3cn(C)nc3)c2C[C@H](CO)N1C(=O)Cc1c(Cl)cccc1Cl | 10.1021/acs.jmedchem.1c01887 | |||
CHEMBL4468760 | 2412 | None | 8 | Human | Binding | pEC50 | = | 7.9 | 7.9 | - | 0 | ChEMBL | 443 | 4 | 1 | 4 | 4.4 | C[C@H]1c2cccc(c3cn(C)nc3)c2C[C@H](CO)N1C(=O)Cc1c(Cl)cccc1Cl | 10.1021/acs.jmedchem.1c01887 | |||
75201901 | 166520 | None | 21 | Human | Binding | pEC50 | = | 7.0 | 7.0 | -1 | 24 | ChEMBL | 356 | 3 | 0 | 6 | 4.9 | Cc1cc(Oc2nccc3occc23)ccc1-c1c(C)ncc2nccn12 | 10.1021/acs.jmedchem.9b00351 | |||
CHEMBL4277264 | 166520 | None | 21 | Human | Binding | pEC50 | = | 7.0 | 7.0 | -1 | 24 | ChEMBL | 356 | 3 | 0 | 6 | 4.9 | Cc1cc(Oc2nccc3occc23)ccc1-c1c(C)ncc2nccn12 | 10.1021/acs.jmedchem.9b00351 | |||
130442471 | 176188 | None | 0 | Human | Binding | pEC50 | = | 6.0 | 6.0 | - | 0 | ChEMBL | 331 | 3 | 1 | 5 | 4.9 | Cc1cc(Oc2nccc3occc23)ccc1-c1cc(N)cnc1C | 10.1021/acs.jmedchem.9b00351 | |||
CHEMBL4591207 | 176188 | None | 0 | Human | Binding | pEC50 | = | 6.0 | 6.0 | - | 0 | ChEMBL | 331 | 3 | 1 | 5 | 4.9 | Cc1cc(Oc2nccc3occc23)ccc1-c1cc(N)cnc1C | 10.1021/acs.jmedchem.9b00351 | |||
75201961 | 169733 | None | 0 | Human | Binding | pEC50 | = | 6.0 | 6.0 | - | 0 | ChEMBL | 331 | 3 | 0 | 5 | 5.0 | Cc1cc(Oc2nccc3occc23)ccc1-c1c(C)cnnc1C | 10.1021/acsmedchemlett.9b00050 | |||
CHEMBL4437012 | 169733 | None | 0 | Human | Binding | pEC50 | = | 6.0 | 6.0 | - | 0 | ChEMBL | 331 | 3 | 0 | 5 | 5.0 | Cc1cc(Oc2nccc3occc23)ccc1-c1c(C)cnnc1C | 10.1021/acsmedchemlett.9b00050 | |||
130442471 | 176188 | None | 0 | Human | Binding | pEC50 | = | 6.0 | 6.0 | - | 0 | ChEMBL | 331 | 3 | 1 | 5 | 4.9 | Cc1cc(Oc2nccc3occc23)ccc1-c1cc(N)cnc1C | 10.1021/acs.jmedchem.9b00351 | |||
CHEMBL4591207 | 176188 | None | 0 | Human | Binding | pEC50 | = | 6.0 | 6.0 | - | 0 | ChEMBL | 331 | 3 | 1 | 5 | 4.9 | Cc1cc(Oc2nccc3occc23)ccc1-c1cc(N)cnc1C | 10.1021/acs.jmedchem.9b00351 | |||
75201901 | 166520 | None | 21 | Human | Binding | pEC50 | = | 6.9 | 6.9 | -1 | 24 | ChEMBL | 356 | 3 | 0 | 6 | 4.9 | Cc1cc(Oc2nccc3occc23)ccc1-c1c(C)ncc2nccn12 | 10.1021/acs.jmedchem.9b00351 | |||
CHEMBL4277264 | 166520 | None | 21 | Human | Binding | pEC50 | = | 6.9 | 6.9 | -1 | 24 | ChEMBL | 356 | 3 | 0 | 6 | 4.9 | Cc1cc(Oc2nccc3occc23)ccc1-c1c(C)ncc2nccn12 | 10.1021/acs.jmedchem.9b00351 | |||
4901726 | 180905 | None | 6 | Human | Binding | pEC50 | = | 5.9 | 5.9 | - | 0 | ChEMBL | 419 | 2 | 0 | 5 | 4.9 | Cn1c2ccccc2c(=O)c2c(=O)n(-c3cccc(Cl)c3)c(C3CCCCC3)nc21 | 10.1016/j.bmcl.2020.127696 | |||
CHEMBL4756486 | 180905 | None | 6 | Human | Binding | pEC50 | = | 5.9 | 5.9 | - | 0 | ChEMBL | 419 | 2 | 0 | 5 | 4.9 | Cn1c2ccccc2c(=O)c2c(=O)n(-c3cccc(Cl)c3)c(C3CCCCC3)nc21 | 10.1016/j.bmcl.2020.127696 | |||
12668019 | 10241 | None | 5 | Human | Binding | pEC50 | = | 7.9 | 7.9 | 204 | 3 | ChEMBL | 289 | 1 | 3 | 3 | 3.0 | Oc1cc2c(c(Cl)c1O)CCNC[C@@H]2c1ccccc1 | 10.1021/acs.jmedchem.8b00435 | |||
CHEMBL1160787 | 10241 | None | 5 | Human | Binding | pEC50 | = | 7.9 | 7.9 | 204 | 3 | ChEMBL | 289 | 1 | 3 | 3 | 3.0 | Oc1cc2c(c(Cl)c1O)CCNC[C@@H]2c1ccccc1 | 10.1021/acs.jmedchem.8b00435 | |||
6603820 | 95827 | None | 16 | Human | Binding | pEC50 | = | 7.9 | 7.9 | -4 | 13 | ChEMBL | 267 | 0 | 3 | 3 | 2.6 | Oc1cc2c(cc1O)[C@H]1c3ccccc3CN[C@@H]1CC2 | 10.1021/jm00018a002 | |||
CHEMBL25856 | 95827 | None | 16 | Human | Binding | pEC50 | = | 7.9 | 7.9 | -4 | 13 | ChEMBL | 267 | 0 | 3 | 3 | 2.6 | Oc1cc2c(cc1O)[C@H]1c3ccccc3CN[C@@H]1CC2 | 10.1021/jm00018a002 | |||
146025820 | 173325 | None | 0 | Human | Binding | pEC50 | = | 7.8 | 7.8 | - | 0 | ChEMBL | 365 | 2 | 0 | 5 | 3.6 | CC(=O)Oc1c(C)cc2c(c1OC(C)=O)-c1cccc3c1[C@@H](C2)N(C)CC3 | 10.1021/acsmedchemlett.9b00575 | |||
CHEMBL4523054 | 173325 | None | 0 | Human | Binding | pEC50 | = | 7.8 | 7.8 | - | 0 | ChEMBL | 365 | 2 | 0 | 5 | 3.6 | CC(=O)Oc1c(C)cc2c(c1OC(C)=O)-c1cccc3c1[C@@H](C2)N(C)CC3 | 10.1021/acsmedchemlett.9b00575 | |||
681 | 1465 | None | 47 | Human | Binding | pEC50 | = | 5.9 | 5.9 | -154 | 38 | ChEMBL | 153 | 2 | 3 | 3 | 0.6 | NCCc1ccc(c(c1)O)O | 10.1021/acsmedchemlett.9b00050 | |||
681.0 | 1465 | None | 47 | Human | Binding | pEC50 | = | 5.9 | 5.9 | -154 | 38 | ChEMBL | 153 | 2 | 3 | 3 | 0.6 | NCCc1ccc(c(c1)O)O | 10.1021/acsmedchemlett.9b00050 | |||
940 | 1465 | None | 47 | Human | Binding | pEC50 | = | 5.9 | 5.9 | -154 | 38 | ChEMBL | 153 | 2 | 3 | 3 | 0.6 | NCCc1ccc(c(c1)O)O | 10.1021/acsmedchemlett.9b00050 | |||
947 | 1465 | None | 47 | Human | Binding | pEC50 | = | 5.9 | 5.9 | -154 | 38 | ChEMBL | 153 | 2 | 3 | 3 | 0.6 | NCCc1ccc(c(c1)O)O | 10.1021/acsmedchemlett.9b00050 | |||
CHEMBL59 | 1465 | None | 47 | Human | Binding | pEC50 | = | 5.9 | 5.9 | -154 | 38 | ChEMBL | 153 | 2 | 3 | 3 | 0.6 | NCCc1ccc(c(c1)O)O | 10.1021/acsmedchemlett.9b00050 | |||
DB00988 | 1465 | None | 47 | Human | Binding | pEC50 | = | 5.9 | 5.9 | -154 | 38 | ChEMBL | 153 | 2 | 3 | 3 | 0.6 | NCCc1ccc(c(c1)O)O | 10.1021/acsmedchemlett.9b00050 | |||
85090318 | 179551 | None | 0 | Human | Binding | pEC50 | = | 5.9 | 5.9 | - | 0 | ChEMBL | 413 | 3 | 0 | 5 | 4.7 | Cc1ccc(-n2c(CC3CCCCC3)nc3c(c(=O)c4ccccc4n3C)c2=O)cc1 | 10.1016/j.bmcl.2020.127696 | |||
CHEMBL4740497 | 179551 | None | 0 | Human | Binding | pEC50 | = | 5.9 | 5.9 | - | 0 | ChEMBL | 413 | 3 | 0 | 5 | 4.7 | Cc1ccc(-n2c(CC3CCCCC3)nc3c(c(=O)c4ccccc4n3C)c2=O)cc1 | 10.1016/j.bmcl.2020.127696 | |||
146192966 | 175420 | None | 0 | Human | Binding | pEC50 | = | 7.8 | 7.8 | - | 0 | ChEMBL | 457 | 5 | 1 | 4 | 4.9 | CCn1cc(-c2cccc3c2C[C@H](CO)N(C(=O)Cc2c(Cl)cccc2Cl)[C@H]3C)cn1 | 10.1021/acs.jmedchem.1c01887 | |||
CHEMBL4573538 | 175420 | None | 0 | Human | Binding | pEC50 | = | 7.8 | 7.8 | - | 0 | ChEMBL | 457 | 5 | 1 | 4 | 4.9 | CCn1cc(-c2cccc3c2C[C@H](CO)N(C(=O)Cc2c(Cl)cccc2Cl)[C@H]3C)cn1 | 10.1021/acs.jmedchem.1c01887 | |||
85090319 | 180716 | None | 0 | Human | Binding | pEC50 | = | 6.8 | 6.8 | - | 0 | ChEMBL | 401 | 3 | 0 | 6 | 3.9 | COc1ccc(-n2c(C3CCCC3)nc3c(c(=O)c4ccccc4n3C)c2=O)cc1 | 10.1016/j.bmcl.2020.127696 | |||
CHEMBL4754602 | 180716 | None | 0 | Human | Binding | pEC50 | = | 6.8 | 6.8 | - | 0 | ChEMBL | 401 | 3 | 0 | 6 | 3.9 | COc1ccc(-n2c(C3CCCC3)nc3c(c(=O)c4ccccc4n3C)c2=O)cc1 | 10.1016/j.bmcl.2020.127696 | |||
85090338 | 180867 | None | 0 | Human | Binding | pEC50 | = | 6.8 | 6.8 | - | 0 | ChEMBL | 389 | 4 | 0 | 6 | 3.4 | COc1ccc(-n2c(CC(C)C)nc3c(c(=O)c4ccccc4n3C)c2=O)cc1 | 10.1016/j.bmcl.2020.127696 | |||
CHEMBL4756163 | 180867 | None | 0 | Human | Binding | pEC50 | = | 6.8 | 6.8 | - | 0 | ChEMBL | 389 | 4 | 0 | 6 | 3.4 | COc1ccc(-n2c(CC(C)C)nc3c(c(=O)c4ccccc4n3C)c2=O)cc1 | 10.1016/j.bmcl.2020.127696 | |||
85090320 | 182669 | None | 0 | Human | Binding | pEC50 | = | 5.8 | 5.8 | - | 0 | ChEMBL | 433 | 3 | 0 | 5 | 5.0 | Cn1c2ccccc2c(=O)c2c(=O)n(-c3ccc(Cl)cc3)c(CC3CCCCC3)nc21 | 10.1016/j.bmcl.2020.127696 | |||
CHEMBL4787728 | 182669 | None | 0 | Human | Binding | pEC50 | = | 5.8 | 5.8 | - | 0 | ChEMBL | 433 | 3 | 0 | 5 | 5.0 | Cn1c2ccccc2c(=O)c2c(=O)n(-c3ccc(Cl)cc3)c(CC3CCCCC3)nc21 | 10.1016/j.bmcl.2020.127696 | |||
85090337 | 183387 | None | 0 | Human | Binding | pEC50 | = | 5.8 | 5.8 | - | 0 | ChEMBL | 433 | 3 | 0 | 5 | 5.0 | Cn1c2ccccc2c(=O)c2c(=O)n(-c3cccc(Cl)c3)c(CC3CCCCC3)nc21 | 10.1016/j.bmcl.2020.127696 | |||
CHEMBL4796761 | 183387 | None | 0 | Human | Binding | pEC50 | = | 5.8 | 5.8 | - | 0 | ChEMBL | 433 | 3 | 0 | 5 | 5.0 | Cn1c2ccccc2c(=O)c2c(=O)n(-c3cccc(Cl)c3)c(CC3CCCCC3)nc21 | 10.1016/j.bmcl.2020.127696 | |||
11938 | 2412 | None | 8 | Mouse | Binding | pEC50 | = | 6.8 | 6.8 | - | 0 | ChEMBL | 443 | 4 | 1 | 4 | 4.4 | C[C@H]1c2cccc(c3cn(C)nc3)c2C[C@H](CO)N1C(=O)Cc1c(Cl)cccc1Cl | 10.1021/acs.jmedchem.1c01887 | |||
146192952 | 2412 | None | 8 | Mouse | Binding | pEC50 | = | 6.8 | 6.8 | - | 0 | ChEMBL | 443 | 4 | 1 | 4 | 4.4 | C[C@H]1c2cccc(c3cn(C)nc3)c2C[C@H](CO)N1C(=O)Cc1c(Cl)cccc1Cl | 10.1021/acs.jmedchem.1c01887 | |||
CHEMBL4468760 | 2412 | None | 8 | Mouse | Binding | pEC50 | = | 6.8 | 6.8 | - | 0 | ChEMBL | 443 | 4 | 1 | 4 | 4.4 | C[C@H]1c2cccc(c3cn(C)nc3)c2C[C@H](CO)N1C(=O)Cc1c(Cl)cccc1Cl | 10.1021/acs.jmedchem.1c01887 | |||
85090325 | 179855 | None | 0 | Human | Binding | pEC50 | = | 6.8 | 6.8 | - | 0 | ChEMBL | 405 | 2 | 0 | 5 | 4.5 | Cn1c2ccccc2c(=O)c2c(=O)n(-c3cccc(Cl)c3)c(C3CCCC3)nc21 | 10.1016/j.bmcl.2020.127696 | |||
CHEMBL4744261 | 179855 | None | 0 | Human | Binding | pEC50 | = | 6.8 | 6.8 | - | 0 | ChEMBL | 405 | 2 | 0 | 5 | 4.5 | Cn1c2ccccc2c(=O)c2c(=O)n(-c3cccc(Cl)c3)c(C3CCCC3)nc21 | 10.1016/j.bmcl.2020.127696 | |||
85090334 | 180731 | None | 0 | Human | Binding | pEC50 | = | 5.8 | 5.8 | - | 0 | ChEMBL | 399 | 3 | 0 | 5 | 4.4 | Cn1c2ccccc2c(=O)c2c(=O)n(-c3ccccc3)c(CC3CCCCC3)nc21 | 10.1016/j.bmcl.2020.127696 | |||
CHEMBL4754761 | 180731 | None | 0 | Human | Binding | pEC50 | = | 5.8 | 5.8 | - | 0 | ChEMBL | 399 | 3 | 0 | 5 | 4.4 | Cn1c2ccccc2c(=O)c2c(=O)n(-c3ccccc3)c(CC3CCCCC3)nc21 | 10.1016/j.bmcl.2020.127696 | |||
132016545 | 173179 | None | 0 | Human | Binding | pEC50 | = | 6.8 | 6.8 | - | 0 | ChEMBL | 333 | 2 | 0 | 1 | 4.7 | C[C@H]1c2ccccc2CCN1C(=O)Cc1c(Cl)cccc1Cl | 10.1021/acs.jmedchem.8b01767 | |||
CHEMBL4519818 | 173179 | None | 0 | Human | Binding | pEC50 | = | 6.8 | 6.8 | - | 0 | ChEMBL | 333 | 2 | 0 | 1 | 4.7 | C[C@H]1c2ccccc2CCN1C(=O)Cc1c(Cl)cccc1Cl | 10.1021/acs.jmedchem.8b01767 | |||
9796958 | 146666 | None | 0 | Human | Binding | pEC50 | = | 5.8 | 5.8 | -28 | 4 | ChEMBL | 315 | 2 | 3 | 4 | 3.7 | CCCc1cc2c(s1)CN[C@H]1CCc3cc(O)c(O)cc3[C@H]21 | 10.1021/jm00018a002 | |||
CHEMBL2115374 | 146666 | None | 0 | Human | Binding | pEC50 | = | 5.8 | 5.8 | -28 | 4 | ChEMBL | 315 | 2 | 3 | 4 | 3.7 | CCCc1cc2c(s1)CN[C@H]1CCc3cc(O)c(O)cc3[C@H]21 | 10.1021/jm00018a002 | |||
CHEMBL39230 | 146666 | None | 0 | Human | Binding | pEC50 | = | 5.8 | 5.8 | -28 | 4 | ChEMBL | 315 | 2 | 3 | 4 | 3.7 | CCCc1cc2c(s1)CN[C@H]1CCc3cc(O)c(O)cc3[C@H]21 | 10.1021/jm00018a002 | |||
CHEMBL544814 | 146666 | None | 0 | Human | Binding | pEC50 | = | 5.8 | 5.8 | -28 | 4 | ChEMBL | 315 | 2 | 3 | 4 | 3.7 | CCCc1cc2c(s1)CN[C@H]1CCc3cc(O)c(O)cc3[C@H]21 | 10.1021/jm00018a002 | |||
130442473 | 167433 | None | 0 | Human | Binding | pEC50 | = | 6.8 | 6.8 | - | 1 | ChEMBL | 341 | 3 | 0 | 5 | 5.2 | Cc1cc(Oc2nccc3occc23)ccc1-c1cccc2nccn12 | 10.1021/acs.jmedchem.9b00351 | |||
CHEMBL4294397 | 167433 | None | 0 | Human | Binding | pEC50 | = | 6.8 | 6.8 | - | 1 | ChEMBL | 341 | 3 | 0 | 5 | 5.2 | Cc1cc(Oc2nccc3occc23)ccc1-c1cccc2nccn12 | 10.1021/acs.jmedchem.9b00351 | |||
130442473 | 167433 | None | 0 | Human | Binding | pEC50 | = | 6.8 | 6.8 | - | 1 | ChEMBL | 341 | 3 | 0 | 5 | 5.2 | Cc1cc(Oc2nccc3occc23)ccc1-c1cccc2nccn12 | 10.1021/acs.jmedchem.9b00351 | |||
CHEMBL4294397 | 167433 | None | 0 | Human | Binding | pEC50 | = | 6.8 | 6.8 | - | 1 | ChEMBL | 341 | 3 | 0 | 5 | 5.2 | Cc1cc(Oc2nccc3occc23)ccc1-c1cccc2nccn12 | 10.1021/acs.jmedchem.9b00351 | |||
85090335 | 181220 | None | 0 | Human | Binding | pEC50 | = | 6.8 | 6.8 | - | 0 | ChEMBL | 359 | 3 | 0 | 5 | 3.4 | CC(C)Cc1nc2c(c(=O)c3ccccc3n2C)c(=O)n1-c1ccccc1 | 10.1016/j.bmcl.2020.127696 | |||
CHEMBL4760355 | 181220 | None | 0 | Human | Binding | pEC50 | = | 6.8 | 6.8 | - | 0 | ChEMBL | 359 | 3 | 0 | 5 | 3.4 | CC(C)Cc1nc2c(c(=O)c3ccccc3n2C)c(=O)n1-c1ccccc1 | 10.1016/j.bmcl.2020.127696 | |||
85090330 | 181179 | None | 0 | Human | Binding | pEC50 | = | 5.8 | 5.8 | - | 0 | ChEMBL | 463 | 4 | 0 | 6 | 5.0 | COc1ccc(-n2c(CC3CCCCC3)nc3c(c(=O)c4ccccc4n3C)c2=O)cc1Cl | 10.1016/j.bmcl.2020.127696 | |||
CHEMBL4759814 | 181179 | None | 0 | Human | Binding | pEC50 | = | 5.8 | 5.8 | - | 0 | ChEMBL | 463 | 4 | 0 | 6 | 5.0 | COc1ccc(-n2c(CC3CCCCC3)nc3c(c(=O)c4ccccc4n3C)c2=O)cc1Cl | 10.1016/j.bmcl.2020.127696 | |||
167715 | 2876 | None | 8 | Human | Binding | pEC50 | = | 5.7 | 5.7 | -194 | 5 | ChEMBL | 295 | 2 | 2 | 3 | 3.6 | CCCN1CCc2c3[C@H]1Cc1ccc(c(c1c3ccc2)O)O | 10.1021/acsmedchemlett.9b00575 | |||
969 | 2876 | None | 8 | Human | Binding | pEC50 | = | 5.7 | 5.7 | -194 | 5 | ChEMBL | 295 | 2 | 2 | 3 | 3.6 | CCCN1CCc2c3[C@H]1Cc1ccc(c(c1c3ccc2)O)O | 10.1021/acsmedchemlett.9b00575 | |||
CHEMBL225230 | 2876 | None | 8 | Human | Binding | pEC50 | = | 5.7 | 5.7 | -194 | 5 | ChEMBL | 295 | 2 | 2 | 3 | 3.6 | CCCN1CCc2c3[C@H]1Cc1ccc(c(c1c3ccc2)O)O | 10.1021/acsmedchemlett.9b00575 | |||
24133757 | 171703 | None | 0 | Human | Binding | pEC50 | = | 5.7 | 5.7 | - | 0 | ChEMBL | 340 | 1 | 1 | 2 | 5.2 | CC1c2ccsc2CCN1C(=O)Nc1c(Cl)cccc1Cl | 10.1021/acs.jmedchem.8b01767 | |||
CHEMBL4465320 | 171703 | None | 0 | Human | Binding | pEC50 | = | 5.7 | 5.7 | - | 0 | ChEMBL | 340 | 1 | 1 | 2 | 5.2 | CC1c2ccsc2CCN1C(=O)Nc1c(Cl)cccc1Cl | 10.1021/acs.jmedchem.8b01767 | |||
167715 | 2876 | None | 8 | Human | Binding | pEC50 | = | 5.7 | 5.7 | -194 | 5 | ChEMBL | 295 | 2 | 2 | 3 | 3.6 | CCCN1CCc2c3[C@H]1Cc1ccc(c(c1c3ccc2)O)O | 10.1021/acsmedchemlett.9b00575 | |||
969 | 2876 | None | 8 | Human | Binding | pEC50 | = | 5.7 | 5.7 | -194 | 5 | ChEMBL | 295 | 2 | 2 | 3 | 3.6 | CCCN1CCc2c3[C@H]1Cc1ccc(c(c1c3ccc2)O)O | 10.1021/acsmedchemlett.9b00575 | |||
CHEMBL225230 | 2876 | None | 8 | Human | Binding | pEC50 | = | 5.7 | 5.7 | -194 | 5 | ChEMBL | 295 | 2 | 2 | 3 | 3.6 | CCCN1CCc2c3[C@H]1Cc1ccc(c(c1c3ccc2)O)O | 10.1021/acsmedchemlett.9b00575 | |||
133642 | 172054 | None | 7 | Human | Binding | pEC50 | = | 5.7 | 5.7 | - | 0 | ChEMBL | 307 | 2 | 0 | 3 | 3.9 | CCCN1CCc2cccc3c2[C@H]1Cc1ccc2c(c1-3)OCO2 | 10.1021/acsmedchemlett.9b00575 | |||
CHEMBL4470553 | 172054 | None | 7 | Human | Binding | pEC50 | = | 5.7 | 5.7 | - | 0 | ChEMBL | 307 | 2 | 0 | 3 | 3.9 | CCCN1CCc2cccc3c2[C@H]1Cc1ccc2c(c1-3)OCO2 | 10.1021/acsmedchemlett.9b00575 | |||
133642 | 172054 | None | 7 | Human | Binding | pEC50 | = | 5.7 | 5.7 | - | 0 | ChEMBL | 307 | 2 | 0 | 3 | 3.9 | CCCN1CCc2cccc3c2[C@H]1Cc1ccc2c(c1-3)OCO2 | 10.1021/acsmedchemlett.9b00575 | |||
CHEMBL4470553 | 172054 | None | 7 | Human | Binding | pEC50 | = | 5.7 | 5.7 | - | 0 | ChEMBL | 307 | 2 | 0 | 3 | 3.9 | CCCN1CCc2cccc3c2[C@H]1Cc1ccc2c(c1-3)OCO2 | 10.1021/acsmedchemlett.9b00575 | |||
10742 | 3617 | None | 24 | Human | Binding | pEC50 | = | 8.7 | 8.7 | -2 | 7 | ChEMBL | 329 | 3 | 2 | 3 | 3.9 | C=CCN1CCc2c(C(C1)c1ccccc1)cc(c(c2Cl)O)O | 10.1021/acs.jmedchem.8b00435 | |||
1225 | 3617 | None | 24 | Human | Binding | pEC50 | = | 8.7 | 8.7 | -2 | 7 | ChEMBL | 329 | 3 | 2 | 3 | 3.9 | C=CCN1CCc2c(C(C1)c1ccccc1)cc(c(c2Cl)O)O | 10.1021/acs.jmedchem.8b00435 | |||
CHEMBL35354 | 3617 | None | 24 | Human | Binding | pEC50 | = | 8.7 | 8.7 | -2 | 7 | ChEMBL | 329 | 3 | 2 | 3 | 3.9 | C=CCN1CCc2c(C(C1)c1ccccc1)cc(c(c2Cl)O)O | 10.1021/acs.jmedchem.8b00435 | |||
10020353 | 13894 | None | 19 | Human | Binding | pEC50 | = | 8.6 | 8.6 | - | 0 | ChEMBL | 343 | 3 | 2 | 3 | 4.2 | C=CCN1CCc2c(cc(O)c(O)c2Cl)C(c2cccc(C)c2)C1 | 10.1021/acs.jmedchem.8b00435 | |||
CHEMBL1196161 | 13894 | None | 19 | Human | Binding | pEC50 | = | 8.6 | 8.6 | - | 0 | ChEMBL | 343 | 3 | 2 | 3 | 4.2 | C=CCN1CCc2c(cc(O)c(O)c2Cl)C(c2cccc(C)c2)C1 | 10.1021/acs.jmedchem.8b00435 | |||
CHEMBL556024 | 13894 | None | 19 | Human | Binding | pEC50 | = | 8.6 | 8.6 | - | 0 | ChEMBL | 343 | 3 | 2 | 3 | 4.2 | C=CCN1CCc2c(cc(O)c(O)c2Cl)C(c2cccc(C)c2)C1 | 10.1021/acs.jmedchem.8b00435 | |||
85090328 | 181141 | None | 0 | Human | Binding | pEC50 | = | 6.7 | 6.7 | - | 0 | ChEMBL | 385 | 2 | 0 | 5 | 4.2 | Cc1ccc(-n2c(C3CCCC3)nc3c(c(=O)c4ccccc4n3C)c2=O)cc1 | 10.1016/j.bmcl.2020.127696 | |||
CHEMBL4759339 | 181141 | None | 0 | Human | Binding | pEC50 | = | 6.7 | 6.7 | - | 0 | ChEMBL | 385 | 2 | 0 | 5 | 4.2 | Cc1ccc(-n2c(C3CCCC3)nc3c(c(=O)c4ccccc4n3C)c2=O)cc1 | 10.1016/j.bmcl.2020.127696 | |||
146025701 | 170674 | None | 0 | Human | Binding | pEC50 | = | 6.7 | 6.7 | - | 0 | ChEMBL | 357 | 3 | 1 | 7 | 4.2 | Cc1ncc2nccn2c1-c1ccc(Oc2nccc3occc23)cc1N | 10.1021/acs.jmedchem.9b00351 | |||
CHEMBL4450338 | 170674 | None | 0 | Human | Binding | pEC50 | = | 6.7 | 6.7 | - | 0 | ChEMBL | 357 | 3 | 1 | 7 | 4.2 | Cc1ncc2nccn2c1-c1ccc(Oc2nccc3occc23)cc1N | 10.1021/acs.jmedchem.9b00351 | |||
146025713 | 171714 | None | 0 | Human | Binding | pEC50 | = | 7.7 | 7.7 | - | 0 | ChEMBL | 372 | 3 | 0 | 6 | 5.4 | Cc1cc(Oc2nccc3ccsc23)ccc1-c1c(C)ncc2nccn12 | 10.1021/acs.jmedchem.9b00351 | |||
CHEMBL4465393 | 171714 | None | 0 | Human | Binding | pEC50 | = | 7.7 | 7.7 | - | 0 | ChEMBL | 372 | 3 | 0 | 6 | 5.4 | Cc1cc(Oc2nccc3ccsc23)ccc1-c1c(C)ncc2nccn12 | 10.1021/acs.jmedchem.9b00351 | |||
146025701 | 170674 | None | 0 | Human | Binding | pEC50 | = | 6.7 | 6.7 | - | 0 | ChEMBL | 357 | 3 | 1 | 7 | 4.2 | Cc1ncc2nccn2c1-c1ccc(Oc2nccc3occc23)cc1N | 10.1021/acs.jmedchem.9b00351 | |||
CHEMBL4450338 | 170674 | None | 0 | Human | Binding | pEC50 | = | 6.7 | 6.7 | - | 0 | ChEMBL | 357 | 3 | 1 | 7 | 4.2 | Cc1ncc2nccn2c1-c1ccc(Oc2nccc3occc23)cc1N | 10.1021/acs.jmedchem.9b00351 | |||
146025713 | 171714 | None | 0 | Human | Binding | pEC50 | = | 7.7 | 7.7 | - | 0 | ChEMBL | 372 | 3 | 0 | 6 | 5.4 | Cc1cc(Oc2nccc3ccsc23)ccc1-c1c(C)ncc2nccn12 | 10.1021/acs.jmedchem.9b00351 | |||
CHEMBL4465393 | 171714 | None | 0 | Human | Binding | pEC50 | = | 7.7 | 7.7 | - | 0 | ChEMBL | 372 | 3 | 0 | 6 | 5.4 | Cc1cc(Oc2nccc3ccsc23)ccc1-c1c(C)ncc2nccn12 | 10.1021/acs.jmedchem.9b00351 | |||
130442480 | 175374 | None | 0 | Human | Binding | pEC50 | = | 6.6 | 6.6 | -1 | 24 | ChEMBL | 410 | 3 | 0 | 6 | 5.7 | Cc1ncc2nccn2c1-c1ccc(Oc2nccc3occc23)cc1C(F)(F)F | 10.1021/acs.jmedchem.9b00351 | |||
CHEMBL4572614 | 175374 | None | 0 | Human | Binding | pEC50 | = | 6.6 | 6.6 | -1 | 24 | ChEMBL | 410 | 3 | 0 | 6 | 5.7 | Cc1ncc2nccn2c1-c1ccc(Oc2nccc3occc23)cc1C(F)(F)F | 10.1021/acs.jmedchem.9b00351 | |||
130442480 | 175374 | None | 0 | Human | Binding | pEC50 | = | 6.6 | 6.6 | -1 | 24 | ChEMBL | 410 | 3 | 0 | 6 | 5.7 | Cc1ncc2nccn2c1-c1ccc(Oc2nccc3occc23)cc1C(F)(F)F | 10.1021/acs.jmedchem.9b00351 | |||
CHEMBL4572614 | 175374 | None | 0 | Human | Binding | pEC50 | = | 6.6 | 6.6 | -1 | 24 | ChEMBL | 410 | 3 | 0 | 6 | 5.7 | Cc1ncc2nccn2c1-c1ccc(Oc2nccc3occc23)cc1C(F)(F)F | 10.1021/acs.jmedchem.9b00351 | |||
146025816 | 170081 | None | 0 | Human | Binding | pEC50 | = | 6.6 | 6.6 | - | 0 | ChEMBL | 323 | 3 | 0 | 3 | 4.0 | CCc1ccc2c3c1CCN(C)[C@H]3Cc1ccc(OC)c(OC)c1-2 | 10.1021/acsmedchemlett.9b00575 | |||
CHEMBL4442011 | 170081 | None | 0 | Human | Binding | pEC50 | = | 6.6 | 6.6 | - | 0 | ChEMBL | 323 | 3 | 0 | 3 | 4.0 | CCc1ccc2c3c1CCN(C)[C@H]3Cc1ccc(OC)c(OC)c1-2 | 10.1021/acsmedchemlett.9b00575 | |||
1242 | 3613 | None | 17 | Human | Binding | pEC50 | = | 6.6 | 6.6 | -5 | 17 | ChEMBL | 255 | 1 | 3 | 3 | 2.4 | Oc1cc2CCNCC(c2cc1O)c1ccccc1 | nan | |||
935 | 3613 | None | 17 | Human | Binding | pEC50 | = | 6.6 | 6.6 | -5 | 17 | ChEMBL | 255 | 1 | 3 | 3 | 2.4 | Oc1cc2CCNCC(c2cc1O)c1ccccc1 | nan | |||
CHEMBL286080 | 3613 | None | 17 | Human | Binding | pEC50 | = | 6.6 | 6.6 | -5 | 17 | ChEMBL | 255 | 1 | 3 | 3 | 2.4 | Oc1cc2CCNCC(c2cc1O)c1ccccc1 | nan | |||
146192967 | 191221 | None | 0 | Human | Binding | pEC50 | = | 7.6 | 7.6 | - | 0 | ChEMBL | 485 | 5 | 1 | 5 | 4.5 | C[C@H]1c2cccc(-c3cnn(C4COC4)c3)c2C[C@H](CO)N1C(=O)Cc1c(Cl)cccc1Cl | 10.1021/acs.jmedchem.1c01887 | |||
CHEMBL5187909 | 191221 | None | 0 | Human | Binding | pEC50 | = | 7.6 | 7.6 | - | 0 | ChEMBL | 485 | 5 | 1 | 5 | 4.5 | C[C@H]1c2cccc(-c3cnn(C4COC4)c3)c2C[C@H](CO)N1C(=O)Cc1c(Cl)cccc1Cl | 10.1021/acs.jmedchem.1c01887 | |||
146025816 | 170081 | None | 0 | Human | Binding | pEC50 | = | 6.6 | 6.6 | - | 0 | ChEMBL | 323 | 3 | 0 | 3 | 4.0 | CCc1ccc2c3c1CCN(C)[C@H]3Cc1ccc(OC)c(OC)c1-2 | 10.1021/acsmedchemlett.9b00575 | |||
CHEMBL4442011 | 170081 | None | 0 | Human | Binding | pEC50 | = | 6.6 | 6.6 | - | 0 | ChEMBL | 323 | 3 | 0 | 3 | 4.0 | CCc1ccc2c3c1CCN(C)[C@H]3Cc1ccc(OC)c(OC)c1-2 | 10.1021/acsmedchemlett.9b00575 | |||
130442590 | 169902 | None | 0 | Human | Binding | pEC50 | = | 5.6 | 5.6 | - | 0 | ChEMBL | 356 | 3 | 0 | 6 | 4.9 | Cc1cc(Oc2nccc3occc23)ccc1-c1c(C)nc2cnccn12 | 10.1021/acs.jmedchem.9b00351 | |||
CHEMBL4439333 | 169902 | None | 0 | Human | Binding | pEC50 | = | 5.6 | 5.6 | - | 0 | ChEMBL | 356 | 3 | 0 | 6 | 4.9 | Cc1cc(Oc2nccc3occc23)ccc1-c1c(C)nc2cnccn12 | 10.1021/acs.jmedchem.9b00351 | |||
130442590 | 169902 | None | 0 | Human | Binding | pEC50 | = | 5.6 | 5.6 | - | 0 | ChEMBL | 356 | 3 | 0 | 6 | 4.9 | Cc1cc(Oc2nccc3occc23)ccc1-c1c(C)nc2cnccn12 | 10.1021/acs.jmedchem.9b00351 | |||
CHEMBL4439333 | 169902 | None | 0 | Human | Binding | pEC50 | = | 5.6 | 5.6 | - | 0 | ChEMBL | 356 | 3 | 0 | 6 | 4.9 | Cc1cc(Oc2nccc3occc23)ccc1-c1c(C)nc2cnccn12 | 10.1021/acs.jmedchem.9b00351 | |||
130442572 | 172011 | None | 0 | Human | Binding | pEC50 | = | 6.6 | 6.6 | -3 | 24 | ChEMBL | 395 | 3 | 0 | 5 | 6.0 | FC(F)(F)c1cc(Oc2nccc3occc23)ccc1-c1cccc2nccn12 | 10.1021/acs.jmedchem.9b00351 | |||
CHEMBL4469848 | 172011 | None | 0 | Human | Binding | pEC50 | = | 6.6 | 6.6 | -3 | 24 | ChEMBL | 395 | 3 | 0 | 5 | 6.0 | FC(F)(F)c1cc(Oc2nccc3occc23)ccc1-c1cccc2nccn12 | 10.1021/acs.jmedchem.9b00351 | |||
130442572 | 172011 | None | 0 | Human | Binding | pEC50 | = | 6.6 | 6.6 | -3 | 24 | ChEMBL | 395 | 3 | 0 | 5 | 6.0 | FC(F)(F)c1cc(Oc2nccc3occc23)ccc1-c1cccc2nccn12 | 10.1021/acs.jmedchem.9b00351 | |||
CHEMBL4469848 | 172011 | None | 0 | Human | Binding | pEC50 | = | 6.6 | 6.6 | -3 | 24 | ChEMBL | 395 | 3 | 0 | 5 | 6.0 | FC(F)(F)c1cc(Oc2nccc3occc23)ccc1-c1cccc2nccn12 | 10.1021/acs.jmedchem.9b00351 | |||
6603703 | 208 | None | 8 | Human | Binding | pEC50 | = | 8.5 | 8.5 | -2 | 12 | ChEMBL | 329 | 2 | 3 | 4 | 3.3 | NC[C@@H]1O[C@@H](Cc2c1ccc(c2O)O)C12CC3CC(C2)CC(C1)C3 | 10.1021/jm00018a002 | |||
9637 | 208 | None | 8 | Human | Binding | pEC50 | = | 8.5 | 8.5 | -2 | 12 | ChEMBL | 329 | 2 | 3 | 4 | 3.3 | NC[C@@H]1O[C@@H](Cc2c1ccc(c2O)O)C12CC3CC(C2)CC(C1)C3 | 10.1021/jm00018a002 | |||
CHEMBL291143 | 208 | None | 8 | Human | Binding | pEC50 | = | 8.5 | 8.5 | -2 | 12 | ChEMBL | 329 | 2 | 3 | 4 | 3.3 | NC[C@@H]1O[C@@H](Cc2c1ccc(c2O)O)C12CC3CC(C2)CC(C1)C3 | 10.1021/jm00018a002 | |||
1153 | 1628 | None | 36 | Human | Binding | pEC50 | = | 7.5 | 7.5 | -32 | 10 | ChEMBL | 305 | 1 | 4 | 4 | 2.7 | Oc1ccc(cc1)C1CNCCc2c1cc(O)c(c2Cl)O | 10.1021/acs.jmedchem.8b00435 | |||
12668023 | 1628 | None | 36 | Human | Binding | pEC50 | = | 7.5 | 7.5 | -32 | 10 | ChEMBL | 305 | 1 | 4 | 4 | 2.7 | Oc1ccc(cc1)C1CNCCc2c1cc(O)c(c2Cl)O | 10.1021/acs.jmedchem.8b00435 | |||
30026874 | 1628 | None | 36 | Human | Binding | pEC50 | = | 7.5 | 7.5 | -32 | 10 | ChEMBL | 305 | 1 | 4 | 4 | 2.7 | Oc1ccc(cc1)C1CNCCc2c1cc(O)c(c2Cl)O | 10.1021/acs.jmedchem.8b00435 | |||
30026875 | 1628 | None | 36 | Human | Binding | pEC50 | = | 7.5 | 7.5 | -32 | 10 | ChEMBL | 305 | 1 | 4 | 4 | 2.7 | Oc1ccc(cc1)C1CNCCc2c1cc(O)c(c2Cl)O | 10.1021/acs.jmedchem.8b00435 | |||
3341 | 1628 | None | 36 | Human | Binding | pEC50 | = | 7.5 | 7.5 | -32 | 10 | ChEMBL | 305 | 1 | 4 | 4 | 2.7 | Oc1ccc(cc1)C1CNCCc2c1cc(O)c(c2Cl)O | 10.1021/acs.jmedchem.8b00435 | |||
3341.0 | 1628 | None | 36 | Human | Binding | pEC50 | = | 7.5 | 7.5 | -32 | 10 | ChEMBL | 305 | 1 | 4 | 4 | 2.7 | Oc1ccc(cc1)C1CNCCc2c1cc(O)c(c2Cl)O | 10.1021/acs.jmedchem.8b00435 | |||
6603851 | 1628 | None | 36 | Human | Binding | pEC50 | = | 7.5 | 7.5 | -32 | 10 | ChEMBL | 305 | 1 | 4 | 4 | 2.7 | Oc1ccc(cc1)C1CNCCc2c1cc(O)c(c2Cl)O | 10.1021/acs.jmedchem.8b00435 | |||
933 | 1628 | None | 36 | Human | Binding | pEC50 | = | 7.5 | 7.5 | -32 | 10 | ChEMBL | 305 | 1 | 4 | 4 | 2.7 | Oc1ccc(cc1)C1CNCCc2c1cc(O)c(c2Cl)O | 10.1021/acs.jmedchem.8b00435 | |||
939 | 1628 | None | 36 | Human | Binding | pEC50 | = | 7.5 | 7.5 | -32 | 10 | ChEMBL | 305 | 1 | 4 | 4 | 2.7 | Oc1ccc(cc1)C1CNCCc2c1cc(O)c(c2Cl)O | 10.1021/acs.jmedchem.8b00435 | |||
985 | 1628 | None | 36 | Human | Binding | pEC50 | = | 7.5 | 7.5 | -32 | 10 | ChEMBL | 305 | 1 | 4 | 4 | 2.7 | Oc1ccc(cc1)C1CNCCc2c1cc(O)c(c2Cl)O | 10.1021/acs.jmedchem.8b00435 | |||
CHEMBL1160786 | 1628 | None | 36 | Human | Binding | pEC50 | = | 7.5 | 7.5 | -32 | 10 | ChEMBL | 305 | 1 | 4 | 4 | 2.7 | Oc1ccc(cc1)C1CNCCc2c1cc(O)c(c2Cl)O | 10.1021/acs.jmedchem.8b00435 | |||
CHEMBL1161520 | 1628 | None | 36 | Human | Binding | pEC50 | = | 7.5 | 7.5 | -32 | 10 | ChEMBL | 305 | 1 | 4 | 4 | 2.7 | Oc1ccc(cc1)C1CNCCc2c1cc(O)c(c2Cl)O | 10.1021/acs.jmedchem.8b00435 | |||
CHEMBL588 | 1628 | None | 36 | Human | Binding | pEC50 | = | 7.5 | 7.5 | -32 | 10 | ChEMBL | 305 | 1 | 4 | 4 | 2.7 | Oc1ccc(cc1)C1CNCCc2c1cc(O)c(c2Cl)O | 10.1021/acs.jmedchem.8b00435 | |||
DB00800 | 1628 | None | 36 | Human | Binding | pEC50 | = | 7.5 | 7.5 | -32 | 10 | ChEMBL | 305 | 1 | 4 | 4 | 2.7 | Oc1ccc(cc1)C1CNCCc2c1cc(O)c(c2Cl)O | 10.1021/acs.jmedchem.8b00435 | |||
75201901 | 166520 | None | 21 | Human | Binding | pEC50 | = | 6.5 | 6.5 | -1 | 24 | ChEMBL | 356 | 3 | 0 | 6 | 4.9 | Cc1cc(Oc2nccc3occc23)ccc1-c1c(C)ncc2nccn12 | 10.1021/acsmedchemlett.9b00050 | |||
CHEMBL4277264 | 166520 | None | 21 | Human | Binding | pEC50 | = | 6.5 | 6.5 | -1 | 24 | ChEMBL | 356 | 3 | 0 | 6 | 4.9 | Cc1cc(Oc2nccc3occc23)ccc1-c1c(C)ncc2nccn12 | 10.1021/acsmedchemlett.9b00050 | |||
2030130 | 20986 | None | 17 | Human | Binding | pEC50 | = | 6.5 | 6.5 | - | 0 | ChEMBL | 385 | 2 | 0 | 5 | 4.3 | Cn1c2ccccc2c(=O)c2c(=O)n(-c3ccccc3)c(C3CCCCC3)nc21 | 10.1016/j.bmcl.2020.127696 | |||
CHEMBL1311333 | 20986 | None | 17 | Human | Binding | pEC50 | = | 6.5 | 6.5 | - | 0 | ChEMBL | 385 | 2 | 0 | 5 | 4.3 | Cn1c2ccccc2c(=O)c2c(=O)n(-c3ccccc3)c(C3CCCCC3)nc21 | 10.1016/j.bmcl.2020.127696 | |||
85090324 | 180798 | None | 0 | Human | Binding | pEC50 | = | 6.5 | 6.5 | - | 0 | ChEMBL | 405 | 2 | 0 | 5 | 4.5 | Cn1c2ccccc2c(=O)c2c(=O)n(-c3ccc(Cl)cc3)c(C3CCCC3)nc21 | 10.1016/j.bmcl.2020.127696 | |||
CHEMBL4755481 | 180798 | None | 0 | Human | Binding | pEC50 | = | 6.5 | 6.5 | - | 0 | ChEMBL | 405 | 2 | 0 | 5 | 4.5 | Cn1c2ccccc2c(=O)c2c(=O)n(-c3ccc(Cl)cc3)c(C3CCCC3)nc21 | 10.1016/j.bmcl.2020.127696 | |||
76284418 | 182424 | None | 0 | Human | Binding | pEC50 | = | 6.5 | 6.5 | - | 0 | ChEMBL | 371 | 2 | 0 | 5 | 3.9 | Cn1c2ccccc2c(=O)c2c(=O)n(-c3ccccc3)c(C3CCCC3)nc21 | 10.1016/j.bmcl.2020.127696 | |||
CHEMBL4784295 | 182424 | None | 0 | Human | Binding | pEC50 | = | 6.5 | 6.5 | - | 0 | ChEMBL | 371 | 2 | 0 | 5 | 3.9 | Cn1c2ccccc2c(=O)c2c(=O)n(-c3ccccc3)c(C3CCCC3)nc21 | 10.1016/j.bmcl.2020.127696 | |||
75202022 | 170913 | None | 5 | Human | Binding | pEC50 | = | 7.5 | 7.5 | - | 1 | ChEMBL | 363 | 3 | 1 | 6 | 3.3 | Cc1cc(Oc2nccc3occc23)ccc1-c1c(C)c(=O)[nH]c(=O)n1C | 10.1021/acsmedchemlett.9b00050 | |||
CHEMBL4453318 | 170913 | None | 5 | Human | Binding | pEC50 | = | 7.5 | 7.5 | - | 1 | ChEMBL | 363 | 3 | 1 | 6 | 3.3 | Cc1cc(Oc2nccc3occc23)ccc1-c1c(C)c(=O)[nH]c(=O)n1C | 10.1021/acsmedchemlett.9b00050 | |||
146025815 | 169882 | None | 0 | Human | Binding | pEC50 | = | 7.4 | 7.4 | - | 0 | ChEMBL | 323 | 3 | 0 | 3 | 4.0 | CCc1ccc2c3c1CCN(C)[C@@H]3Cc1ccc(OC)c(OC)c1-2 | 10.1021/acsmedchemlett.9b00575 | |||
CHEMBL4439029 | 169882 | None | 0 | Human | Binding | pEC50 | = | 7.4 | 7.4 | - | 0 | ChEMBL | 323 | 3 | 0 | 3 | 4.0 | CCc1ccc2c3c1CCN(C)[C@@H]3Cc1ccc(OC)c(OC)c1-2 | 10.1021/acsmedchemlett.9b00575 | |||
1218 | 3616 | None | 23 | Human | Binding | pEC50 | = | 6.4 | 6.4 | -11 | 7 | ChEMBL | 289 | 1 | 3 | 3 | 3.0 | Oc1c(O)cc2c(c1Cl)CCNCC2c1ccccc1 | 10.1021/acsmedchemlett.9b00050 | |||
938 | 3616 | None | 23 | Human | Binding | pEC50 | = | 6.4 | 6.4 | -11 | 7 | ChEMBL | 289 | 1 | 3 | 3 | 3.0 | Oc1c(O)cc2c(c1Cl)CCNCC2c1ccccc1 | 10.1021/acsmedchemlett.9b00050 | |||
CHEMBL353335 | 3616 | None | 23 | Human | Binding | pEC50 | = | 6.4 | 6.4 | -11 | 7 | ChEMBL | 289 | 1 | 3 | 3 | 3.0 | Oc1c(O)cc2c(c1Cl)CCNCC2c1ccccc1 | 10.1021/acsmedchemlett.9b00050 | |||
146025815 | 169882 | None | 0 | Human | Binding | pEC50 | = | 7.4 | 7.4 | - | 0 | ChEMBL | 323 | 3 | 0 | 3 | 4.0 | CCc1ccc2c3c1CCN(C)[C@@H]3Cc1ccc(OC)c(OC)c1-2 | 10.1021/acsmedchemlett.9b00575 | |||
CHEMBL4439029 | 169882 | None | 0 | Human | Binding | pEC50 | = | 7.4 | 7.4 | - | 0 | ChEMBL | 323 | 3 | 0 | 3 | 4.0 | CCc1ccc2c3c1CCN(C)[C@@H]3Cc1ccc(OC)c(OC)c1-2 | 10.1021/acsmedchemlett.9b00575 | |||
85090321 | 182919 | None | 0 | Human | Binding | pEC50 | = | 6.4 | 6.4 | - | 0 | ChEMBL | 373 | 3 | 0 | 5 | 3.7 | Cc1ccc(-n2c(CC(C)C)nc3c(c(=O)c4ccccc4n3C)c2=O)cc1 | 10.1016/j.bmcl.2020.127696 | |||
CHEMBL4790909 | 182919 | None | 0 | Human | Binding | pEC50 | = | 6.4 | 6.4 | - | 0 | ChEMBL | 373 | 3 | 0 | 5 | 3.7 | Cc1ccc(-n2c(CC(C)C)nc3c(c(=O)c4ccccc4n3C)c2=O)cc1 | 10.1016/j.bmcl.2020.127696 | |||
85090323 | 182028 | None | 0 | Human | Binding | pEC50 | = | 6.4 | 6.4 | - | 0 | ChEMBL | 393 | 3 | 0 | 5 | 4.1 | CC(C)Cc1nc2c(c(=O)c3ccccc3n2C)c(=O)n1-c1ccc(Cl)cc1 | 10.1016/j.bmcl.2020.127696 | |||
CHEMBL4779641 | 182028 | None | 0 | Human | Binding | pEC50 | = | 6.4 | 6.4 | - | 0 | ChEMBL | 393 | 3 | 0 | 5 | 4.1 | CC(C)Cc1nc2c(c(=O)c3ccccc3n2C)c(=O)n1-c1ccc(Cl)cc1 | 10.1016/j.bmcl.2020.127696 | |||
146266 | 100752 | None | 5 | Human | Binding | pEC50 | = | 7.4 | 7.4 | -2 | 4 | ChEMBL | 273 | 1 | 2 | 2 | 3.3 | Oc1cc2c(cc1Cl)CCNCC2c1ccccc1 | 10.1021/acs.jmedchem.9b00412 | |||
CHEMBL292418 | 100752 | None | 5 | Human | Binding | pEC50 | = | 7.4 | 7.4 | -2 | 4 | ChEMBL | 273 | 1 | 2 | 2 | 3.3 | Oc1cc2c(cc1Cl)CCNCC2c1ccccc1 | 10.1021/acs.jmedchem.9b00412 | |||
CHEMBL540857 | 100752 | None | 5 | Human | Binding | pEC50 | = | 7.4 | 7.4 | -2 | 4 | ChEMBL | 273 | 1 | 2 | 2 | 3.3 | Oc1cc2c(cc1Cl)CCNCC2c1ccccc1 | 10.1021/acs.jmedchem.9b00412 | |||
146025823 | 169680 | None | 0 | Human | Binding | pEC50 | = | 7.4 | 7.4 | - | 0 | ChEMBL | 457 | 4 | 0 | 6 | 5.0 | COc1cccc(-c2cc3c(c(OC(C)=O)c2OC(C)=O)-c2cccc4c2[C@@H](C3)N(C)CC4)c1 | 10.1021/acsmedchemlett.9b00575 | |||
CHEMBL4435882 | 169680 | None | 0 | Human | Binding | pEC50 | = | 7.4 | 7.4 | - | 0 | ChEMBL | 457 | 4 | 0 | 6 | 5.0 | COc1cccc(-c2cc3c(c(OC(C)=O)c2OC(C)=O)-c2cccc4c2[C@@H](C3)N(C)CC4)c1 | 10.1021/acsmedchemlett.9b00575 | |||
146025823 | 169680 | None | 0 | Human | Binding | pEC50 | = | 7.4 | 7.4 | - | 0 | ChEMBL | 457 | 4 | 0 | 6 | 5.0 | COc1cccc(-c2cc3c(c(OC(C)=O)c2OC(C)=O)-c2cccc4c2[C@@H](C3)N(C)CC4)c1 | 10.1021/acsmedchemlett.9b00575 | |||
CHEMBL4435882 | 169680 | None | 0 | Human | Binding | pEC50 | = | 7.4 | 7.4 | - | 0 | ChEMBL | 457 | 4 | 0 | 6 | 5.0 | COc1cccc(-c2cc3c(c(OC(C)=O)c2OC(C)=O)-c2cccc4c2[C@@H](C3)N(C)CC4)c1 | 10.1021/acsmedchemlett.9b00575 | |||
85090322 | 179565 | None | 0 | Human | Binding | pEC50 | = | 6.4 | 6.4 | - | 0 | ChEMBL | 415 | 3 | 0 | 6 | 4.3 | COc1ccc(-n2c(C3CCCCC3)nc3c(c(=O)c4ccccc4n3C)c2=O)cc1 | 10.1016/j.bmcl.2020.127696 | |||
CHEMBL4740678 | 179565 | None | 0 | Human | Binding | pEC50 | = | 6.4 | 6.4 | - | 0 | ChEMBL | 415 | 3 | 0 | 6 | 4.3 | COc1ccc(-n2c(C3CCCCC3)nc3c(c(=O)c4ccccc4n3C)c2=O)cc1 | 10.1016/j.bmcl.2020.127696 | |||
75201899 | 172019 | None | 0 | Human | Binding | pEC50 | = | 6.3 | 6.3 | - | 1 | ChEMBL | 351 | 3 | 1 | 5 | 4.1 | Cc1n[nH]c(=O)c(C)c1-c1ccc(Oc2nccc3occc23)cc1F | 10.1021/acsmedchemlett.9b00050 | |||
CHEMBL4469983 | 172019 | None | 0 | Human | Binding | pEC50 | = | 6.3 | 6.3 | - | 1 | ChEMBL | 351 | 3 | 1 | 5 | 4.1 | Cc1n[nH]c(=O)c(C)c1-c1ccc(Oc2nccc3occc23)cc1F | 10.1021/acsmedchemlett.9b00050 | |||
228 | 445 | None | 20 | Human | Binding | pEC50 | = | 6.3 | 6.3 | -35 | 24 | ChEMBL | 267 | 0 | 2 | 3 | 2.9 | CN1CCc2c3[C@H]1Cc1ccc(c(c1c3ccc2)O)O | 10.1021/acsmedchemlett.9b00575 | |||
33 | 445 | None | 20 | Human | Binding | pEC50 | = | 6.3 | 6.3 | -35 | 24 | ChEMBL | 267 | 0 | 2 | 3 | 2.9 | CN1CCc2c3[C@H]1Cc1ccc(c(c1c3ccc2)O)O | 10.1021/acsmedchemlett.9b00575 | |||
6005 | 445 | None | 20 | Human | Binding | pEC50 | = | 6.3 | 6.3 | -35 | 24 | ChEMBL | 267 | 0 | 2 | 3 | 2.9 | CN1CCc2c3[C@H]1Cc1ccc(c(c1c3ccc2)O)O | 10.1021/acsmedchemlett.9b00575 | |||
6005.0 | 445 | None | 20 | Human | Binding | pEC50 | = | 6.3 | 6.3 | -35 | 24 | ChEMBL | 267 | 0 | 2 | 3 | 2.9 | CN1CCc2c3[C@H]1Cc1ccc(c(c1c3ccc2)O)O | 10.1021/acsmedchemlett.9b00575 | |||
CHEMBL53 | 445 | None | 20 | Human | Binding | pEC50 | = | 6.3 | 6.3 | -35 | 24 | ChEMBL | 267 | 0 | 2 | 3 | 2.9 | CN1CCc2c3[C@H]1Cc1ccc(c(c1c3ccc2)O)O | 10.1021/acsmedchemlett.9b00575 | |||
DB00714 | 445 | None | 20 | Human | Binding | pEC50 | = | 6.3 | 6.3 | -35 | 24 | ChEMBL | 267 | 0 | 2 | 3 | 2.9 | CN1CCc2c3[C@H]1Cc1ccc(c(c1c3ccc2)O)O | 10.1021/acsmedchemlett.9b00575 | |||
3033200 | 174631 | None | 2 | Human | Binding | pEC50 | = | 5.3 | 5.3 | - | 0 | ChEMBL | 379 | 4 | 0 | 5 | 4.1 | CCCN1CCc2cccc3c2[C@H]1Cc1ccc(OC(C)=O)c(OC(C)=O)c1-3 | 10.1021/acsmedchemlett.9b00575 | |||
CHEMBL4555547 | 174631 | None | 2 | Human | Binding | pEC50 | = | 5.3 | 5.3 | - | 0 |