| Rank | Compound | SMILES | ΔG / kcal M-1 | pIC50 | |
|---|---|---|---|---|---|
| 501 | BEN-DND-1e24cf73-7 |
|
Cc1ncc(n1c2cccc(c2)OC)NC(=O)Cc3cccc(c3)Cl | −2.9 ± 0.2 | 2.1 ± 0.2 |
| 502 | BAR-COM-ebf5acce-3 |
|
CC[C@H](CN(c1cnccc1C)C(=O)Cc2cccc(c2)Cl)O | −2.9 ± 0.2 | 2.1 ± 0.1 |
| 503 | EDJ-MED-c8e7a002-16 |
|
c1cc(cc(c1)Cl)CC(=O)Nc2c3cnccc3[nH]n2 | −2.9 ± 0.1 | 2.08 ± 0.09 |
| 504 | BAR-COM-ebf5acce-13 |
|
Cc1ccncc1N(CC2(COC2)C#N)C(=O)Cc3cccc(c3)Cl | −2.8 ± 0.2 | 2.1 ± 0.1 |
| 505 | JIN-POS-6dc588a4-5 |
|
c1ccc2c(c1)c(c[nH]2)NC(=O)Cc3cccc(c3)Cl | −2.8 ± 0.1 | 2.06 ± 0.10 |
| 506 | JOH-UNI-ee5ed7c8-11 |
|
c1ccc2c(c1)cnc(c2NC(=O)Cc3cccc(c3)Cl)CC(F)(F)F | −2.7 ± 0.2 | 2.0 ± 0.1 |
| 507 | EDJ-MED-c8e7a002-10 |
|
c1cc(cc(c1)Cl)CC(=O)Nc2c3ccc(cc3n[nH]2)F | −2.6 ± 0.1 | 1.92 ± 0.08 |
| 508 | EDJ-MED-6e43a462-11 |
|
c1cc(cc(c1)Cl)CC(=O)Nc2cnc3n2CCCC3 | −2.6 ± 0.2 | 1.9 ± 0.1 |
| 509 | BAR-COM-ebf5acce-9 |
|
Cc1ccncc1N(C[C@@]2(C[C@@]2(C)N)C)C(=O)Cc3cccc(c3)Cl | −2.6 ± 0.2 | 1.9 ± 0.2 |
| 510 | EDJ-MED-b24713dc-4 |
|
Cc1cccn2c1ncc2NC(=O)Cc3cccc(c3)Cl | −2.5 ± 0.2 | 1.8 ± 0.1 |
| 511 | RUB-POS-1325a9ea-24 |
|
CC1(C(c2ccccc2N1)NC(=O)Cc3cccc(c3)Cl)C | −2.4 ± 0.1 | 1.78 ± 0.09 |
| 512 | JAN-GHE-83b26c96-2 |
|
CC(c1cccc(c1)Cl)C(=O)Nc2cnccc2NC(=O)C | −2.4 ± 0.1 | 1.8 ± 0.1 |
| 513 | ADA-UCB-6c2cb422-10 |
|
COc1ccccc1CN[C@@H](c2cccc(c2)Cl)C(=O)Nc3cc(=O)[nH]c4c3cccc4 | −2.4 ± 0.2 | 1.8 ± 0.2 |
| 514 | MAK-UNK-f203cb68-2 |
|
CC(c1cccc(c1)Cl)C(=O)Nc2cnccc2Cc3ccncc3NC(=O)C | −2.4 ± 0.2 | 1.7 ± 0.2 |
| 515 | EDJ-MED-b24713dc-3 |
|
Cc1ccc2ncc(n2c1)NC(=O)Cc3cccc(c3)Cl | −2.3 ± 0.2 | 1.7 ± 0.1 |
| 516 | JOH-UNI-3fc3434e-11 |
|
c1ccc2c(c1)cnc(c2NC(=O)Cc3cccc(c3)Cl)CC(F)(F)F | −2.3 ± 0.2 | 1.7 ± 0.1 |
| 517 | BEN-DND-1e24cf73-2 |
|
Cc1ccccc1n2cncc2NC(=O)Cc3cccc(c3)Cl | −2.3 ± 0.2 | 1.7 ± 0.1 |
| 518 | EDJ-MED-6e43a462-13 |
|
CN(C)c1ccc2ncc(n2c1)NC(=O)Cc3cccc(c3)Cl | −2.2 ± 0.2 | 1.6 ± 0.1 |
| 519 | MIC-UNK-5a93dd5f-6 |
|
CC(=O)N(C)C1CCN(CC1)C(c2cccc(c2)Cl)C(=O)Nc3cncc4c3cccc4 | −2.2 ± 0.2 | 1.6 ± 0.1 |
| 520 | EDJ-MED-c8e7a002-11 |
|
c1ccc2c(c1)c(n[nH]2)NC(=O)Cc3cccc(c3)Cl | −2.0 ± 0.1 | 1.43 ± 0.08 |
| 521 | EDJ-MED-6e43a462-3 |
|
COc1cccc2n1c(cn2)NC(=O)Cc3cccc(c3)Cl | −1.6 ± 0.2 | 1.2 ± 0.1 |
| 522 | EDJ-MED-c8e7a002-15 |
|
c1cc(cc(c1)Cl)CC(=O)Nc2c3c(ccnc3Br)[nH]n2 | −1.3 ± 0.1 | 0.96 ± 0.10 |
| 523 | BAR-COM-ebf5acce-6 |
|
Cc1ccncc1N(C[C@@H](C(C)(C)O)N)C(=O)Cc2cccc(c2)Cl | −1.3 ± 0.3 | 0.9 ± 0.2 |
| 524 | NAU-LAT-a5c7d7cb-10 |
|
c1ccc2c(c1)c(n[nH]2)NC(=O)Cc3cccc(c3)Cl | −1.0 ± 0.1 | 0.7 ± 0.1 |
| 525 | MIC-UNK-5a93dd5f-11 |
|
c1ccc2c(c1)cncc2NC(=O)C(c3cccc(c3)Cl)N4CCC(CC4)N5CCCCC5 | −0.9 ± 0.3 | 0.7 ± 0.2 |
| 526 | EDJ-MED-b24713dc-2 |
|
Cc1cccc2n1c(cn2)NC(=O)Cc3cccc(c3)Cl | −0.8 ± 0.1 | 0.6 ± 0.1 |
| 527 | BEN-DND-02317c5c-9 |
|
c1ccn2c(c1)cnc2NC(=O)Cc3cccc(c3)Cl | −0.5 ± 0.1 | 0.34 ± 0.10 |