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Q7Z2W7 | TRPM8_HUMAN | Transient receptor potential cation channel subfamily M member 8 (TRPM8)

3D structures mapped by conservation among orthologs



[ Alpha Fold Model ] (go)


Known binders annotated in ChEMBL

IC50 table

molecule_chembl_id structure assay_type relation values units mol_wt smiles organism assay_chembl_id bao_label
CHEMBL1650511 OBDepict H N N N O F F F F F F IC50 = 0.413 nM 467.41 FC(F)(F)c1ccccc1-c1cc(C(F)(F)F)c2[nH]c(C3=NOC4(CCCCC4)C3)nc2c1 Homo sapiens CHEMBL1655535 cell-based format
CHEMBL3687372 OBDepict Cl F F N S O O O HO N CH 3 IC50 = 0.6 nM 557.02 Cc1c(N(Cc2ccc(C(F)(F)C3CC3)c(Cl)c2)S(=O)(=O)c2ccc(C(=O)O)cc2)ncc2ccccc12 Homo sapiens CHEMBL3705684 cell-based format
CHEMBL3687381 OBDepict F F F N S O O O _ O N + Na IC50 = 0.8 nM 588.58 O=C([O-])c1ccc(S(=O)(=O)N(Cc2ccc(C(F)(F)C3CC3)c(F)c2)c2ncc3ccccc3c2C2CC2)cc1.[Na+] Homo sapiens CHEMBL3705684 cell-based format
CHEMBL3682589 OBDepict HO O S N O O N O F F F IC50 = 0.9 nM 542.53 O=C(O)c1ccc(S(=O)(=O)N(Cc2ccc(OC(F)(F)F)cc2)c2ncc3ccccc3c2C2CC2)cc1 Homo sapiens CHEMBL3705684 cell-based format
CHEMBL3353600 OBDepict HO O S N O O N Cl F F F CH 3 CH 3 H 3 C IC50 = 0.96 nM 526.96 CC(C)(C)c1ccc(CN(c2ncc(C(F)(F)F)cc2Cl)S(=O)(=O)c2ccc(C(=O)O)cc2)cc1 Homo sapiens CHEMBL3383300 cell-based format
CHEMBL3687353 OBDepict Cl F F N S O O O HO N CH 3 IC50 = 1.0 nM 597.08 Cc1c(N(Cc2ccc(C(F)(F)C3CC3)c(Cl)c2)S(=O)(=O)c2ccc(C(=O)O)cc2)nc(C2CC2)c2ccccc12 Homo sapiens CHEMBL3705684 cell-based format
CHEMBL3687380 OBDepict HO O S N O O N CH 3 F F H 3 C IC50 = 1.0 nM 536.6 Cc1c(N(Cc2ccc(C(F)(F)C3(C)CC3)cc2)S(=O)(=O)c2ccc(C(=O)O)cc2)ncc2ccccc12 Homo sapiens CHEMBL3705684 cell-based format
CHEMBL3687356 OBDepict F F S N S O O O HO N IC50 = 1.1 nM 550.61 O=C(O)c1ccc(S(=O)(=O)N(Cc2cc3c(F)cc(F)cc3s2)c2ncc3ccccc3c2C2CC2)cc1 Homo sapiens CHEMBL3705684 cell-based format
CHEMBL3687365 OBDepict F F S N S O O O HO N CH 3 IC50 = 1.3 nM 524.57 Cc1c(N(Cc2cc3c(F)cc(F)cc3s2)S(=O)(=O)c2ccc(C(=O)O)cc2)ncc2ccccc12 Homo sapiens CHEMBL3705684 cell-based format
CHEMBL3682568 OBDepict HO O S N O O N CH 3 H 3 C H 3 C IC50 = 1.3 nM 500.62 Cc1c(N(Cc2ccc3c(c2)CCC3(C)C)S(=O)(=O)c2ccc(C(=O)O)cc2)ncc2ccccc12 Homo sapiens CHEMBL3705684 cell-based format
CHEMBL3687373 OBDepict CH 3 N N S O O O HO Cl F F IC50 = 1.4 nM 557.02 Cc1cc2ccccc2nc1N(Cc1ccc(C(F)(F)C2CC2)c(Cl)c1)S(=O)(=O)c1ccc(C(=O)O)cc1 Homo sapiens CHEMBL3705684 cell-based format
CHEMBL3687374 OBDepict F F F N S O O O HO N CH 3 IC50 = 1.5 nM 540.56 Cc1c(N(Cc2ccc(C(F)(F)C3CC3)c(F)c2)S(=O)(=O)c2ccc(C(=O)O)cc2)ncc2ccccc12 Homo sapiens CHEMBL3705684 cell-based format
CHEMBL3687393 OBDepict CH 3 O CH 3 F F F Cl N S O O O HO N CH 3 IC50 = 1.6 nM 593.02 COC(C)(c1ccc(CN(c2ncc3ccccc3c2C)S(=O)(=O)c2ccc(C(=O)O)cc2)cc1Cl)C(F)(F)F Homo sapiens CHEMBL3705684 cell-based format
CHEMBL3687360 OBDepict HO O S N O O N CH 3 F F IC50 = 1.7 nM 536.6 Cc1c(N(Cc2ccc(C(F)(F)C3CCC3)cc2)S(=O)(=O)c2ccc(C(=O)O)cc2)ncc2ccccc12 Homo sapiens CHEMBL3705684 cell-based format
CHEMBL3682549 OBDepict HO O S N O O N CH 3 CH 3 CH 3 H 3 C IC50 = 1.8 nM 488.61 Cc1c(N(Cc2ccc(C(C)(C)C)cc2)S(=O)(=O)c2ccc(C(=O)O)cc2)ncc2ccccc12 Homo sapiens CHEMBL3705684 cell-based format
CHEMBL3974529 OBDepict HO O S N O O S CH 3 O F F F IC50 = 1.8 nM 521.54 Cc1c(N(Cc2ccc(OC(F)(F)F)cc2)S(=O)(=O)c2ccc(C(=O)O)cc2)sc2ccccc12 Homo sapiens CHEMBL3889098 cell-based format
CHEMBL3682543 OBDepict _ O O S N O O N CH 3 O F F F + Na IC50 = 1.9 nM 578.54 Cc1c(N(Cc2ccc(OC(F)(F)F)cc2)S(=O)(=O)c2ccc(C(=O)[O-])cc2)nc(C2CC2)c2ccccc12.[Na+] Homo sapiens CHEMBL3705684 cell-based format
CHEMBL3682590 OBDepict HO O S N O O N F F F O F F F IC50 = 2.0 nM 570.47 O=C(O)c1ccc(S(=O)(=O)N(Cc2ccc(OC(F)(F)F)cc2)c2ncc3ccccc3c2C(F)(F)F)cc1 Homo sapiens CHEMBL3705684 cell-based format
CHEMBL3687351 OBDepict HO O S N O O N CH 3 O F F F IC50 = 2.1 nM 542.54 Cc1c(N(C2CCc3cc(OC(F)(F)F)ccc32)S(=O)(=O)c2ccc(C(=O)O)cc2)ncc2ccccc12 Homo sapiens CHEMBL3705684 cell-based format
CHEMBL3687325 OBDepict HO O S N O O N N O F F F IC50 = 2.2 nM 543.52 O=C(O)c1ccc(S(=O)(=O)N(Cc2ccc(OC(F)(F)F)cn2)c2ncc3ccccc3c2C2CC2)cc1 Homo sapiens CHEMBL3705684 cell-based format
CHEMBL3687367 OBDepict HO O S N O O N CH 3 S Cl IC50 = 2.2 nM 523.04 Cc1c(N(Cc2cc3c(Cl)cccc3s2)S(=O)(=O)c2ccc(C(=O)O)cc2)ncc2ccccc12 Homo sapiens CHEMBL3705684 cell-based format
CHEMBL3687327 OBDepict HO O S N O O N Br O F F F IC50 = 2.3 nM 581.37 O=C(O)c1ccc(S(=O)(=O)N(Cc2ccc(OC(F)(F)F)cc2)c2ncc3ccccc3c2Br)cc1 Homo sapiens CHEMBL3705684 cell-based format
CHEMBL3682556 OBDepict CH 3 O N N CH 3 S O O O _ O O F F F + Na IC50 = 2.5 nM 568.51 COc1nc(N(Cc2ccc(OC(F)(F)F)cc2)S(=O)(=O)c2ccc(C(=O)[O-])cc2)c(C)c2ccccc12.[Na+] Homo sapiens CHEMBL3705684 cell-based format
CHEMBL3687390 OBDepict CH 3 O CH 3 F F F F N S O O O HO N CH 3 IC50 = 2.6 nM 576.57 COC(C)(c1ccc(CN(c2ncc3ccccc3c2C)S(=O)(=O)c2ccc(C(=O)O)cc2)cc1F)C(F)(F)F Homo sapiens CHEMBL3705684 cell-based format
CHEMBL3682539 OBDepict _ O O S N O O N CH 3 O F F F + Na IC50 = 2.7 nM 538.48 Cc1c(N(Cc2ccc(OC(F)(F)F)cc2)S(=O)(=O)c2ccc(C(=O)[O-])cc2)ncc2ccccc12.[Na+] Homo sapiens CHEMBL3705684 cell-based format
CHEMBL3687396 OBDepict CH 3 H 3 C N N CH 3 S O O O HO O F F F IC50 = 2.8 nM 558.58 Cc1c(N(Cc2ccc(OC(F)(F)F)cc2)S(=O)(=O)c2ccc(C(=O)O)cc2)nc(C(C)C)c2ccccc12 Homo sapiens CHEMBL3705684 cell-based format
CHEMBL3687342 OBDepict F N S O O O HO N CH 3 IC50 = 2.9 nM 504.58 Cc1c(N(Cc2ccc(CC3CC3)c(F)c2)S(=O)(=O)c2ccc(C(=O)O)cc2)ncc2ccccc12 Homo sapiens CHEMBL3705684 cell-based format
CHEMBL3682578 OBDepict _ O O S N O O N CH 3 S + Na IC50 = 3.1 nM 510.57 Cc1c(N(Cc2cc3ccccc3s2)S(=O)(=O)c2ccc(C(=O)[O-])cc2)ncc2ccccc12.[Na+] Homo sapiens CHEMBL3705684 cell-based format
CHEMBL3682557 OBDepict _ O O S N O O N Cl O F F F + Na IC50 = 3.1 nM 558.9 O=C([O-])c1ccc(S(=O)(=O)N(Cc2ccc(OC(F)(F)F)cc2)c2ncc3ccccc3c2Cl)cc1.[Na+] Homo sapiens CHEMBL3705684 cell-based format
CHEMBL3682614 OBDepict HO O S N O O N CH 3 CH 3 O F F F IC50 = 3.1 nM 530.52 Cc1cccc2cnc(N(Cc3ccc(OC(F)(F)F)cc3)S(=O)(=O)c3ccc(C(=O)O)cc3)c(C)c12 Homo sapiens CHEMBL3705684 cell-based format
CHEMBL3687375 OBDepict CH 3 N N S O O O HO F F F IC50 = 3.1 nM 540.56 Cc1cc2ccccc2nc1N(Cc1ccc(C(F)(F)C2CC2)c(F)c1)S(=O)(=O)c1ccc(C(=O)O)cc1 Homo sapiens CHEMBL3705684 cell-based format
CHEMBL3353601 OBDepict HO O S N O O N Cl F F F CH 3 CH 3 F F F IC50 = 3.3 nM 580.93 CC(C)(c1ccc(CN(c2ncc(C(F)(F)F)cc2Cl)S(=O)(=O)c2ccc(C(=O)O)cc2)cc1)C(F)(F)F Homo sapiens CHEMBL3383300 cell-based format
CHEMBL3687394 OBDepict CH 3 O F F F N S O O O HO N CH 3 IC50 = 3.5 nM 570.59 COC1(C(F)(F)F)CCc2cc(CN(c3ncc4ccccc4c3C)S(=O)(=O)c3ccc(C(=O)O)cc3)ccc21 Homo sapiens CHEMBL3705684 cell-based format
CHEMBL3682540 OBDepict F O N F F F S O O O _ O N CH 3 + Na IC50 = 3.6 nM 556.47 Cc1c(N(Cc2ccc(OC(F)(F)F)c(F)c2)S(=O)(=O)c2ccc(C(=O)[O-])cc2)ncc2ccccc12.[Na+] Homo sapiens CHEMBL3705684 cell-based format
CHEMBL3682609 OBDepict HO O S N O O N CH 3 F F F F IC50 = 3.8 nM 558.55 Cc1c(N(Cc2ccc(F)c(C(F)(F)F)c2)S(=O)(=O)c2ccc(C(=O)O)cc2)nc(C2CC2)c2ccccc12 Homo sapiens CHEMBL3705684 cell-based format
CHEMBL3687364 OBDepict HO O S N O O N CH 3 F F F IC50 = 3.9 nM 554.59 Cc1c(N(Cc2ccc(CC3(C(F)(F)F)CC3)cc2)S(=O)(=O)c2ccc(C(=O)O)cc2)ncc2ccccc12 Homo sapiens CHEMBL3705684 cell-based format
CHEMBL3687323 OBDepict H 3 C O N N S O O O HO O F F F IC50 = 3.9 nM 532.5 COc1c(N(Cc2ccc(OC(F)(F)F)cc2)S(=O)(=O)c2ccc(C(=O)O)cc2)ncc2ccccc12 Homo sapiens CHEMBL3705684 cell-based format
CHEMBL3687370 OBDepict HO O S N O O N CH 3 S Cl IC50 = 3.9 nM 523.04 Cc1c(N(Cc2cc3cccc(Cl)c3s2)S(=O)(=O)c2ccc(C(=O)O)cc2)ncc2ccccc12 Homo sapiens CHEMBL3705684 cell-based format
CHEMBL3687354 OBDepict CH 3 N N S O O O HO F F IC50 = 4.0 nM 522.57 Cc1cc2ccccc2nc1N(Cc1ccc(C(F)(F)C2CC2)cc1)S(=O)(=O)c1ccc(C(=O)O)cc1 Homo sapiens CHEMBL3705684 cell-based format
CHEMBL2324349 OBDepict HO O S N O O S CH 3 F F F F IC50 = 4.0 nM 523.53 Cc1c(N(Cc2ccc(F)c(C(F)(F)F)c2)S(=O)(=O)c2ccc(C(=O)O)cc2)sc2ccccc12 Homo sapiens CHEMBL2327963 single protein format
CHEMBL1289953 OBDepict NH 2 N O S O CH 3 IC50 = 4.0 nM 394.54 Cc1cccc(COc2ccccc2C(=O)N(CCCN)Cc2cccs2)c1 Homo sapiens CHEMBL2327963 single protein format
CHEMBL4647674 OBDepict F N O N O H H N H Cl IC50 = 4.1 nM 459.91 O=C1[C@@H]2Cc3c([nH]c4ccccc34)[C@@H](c3ccc(Cl)cc3)N2C(=O)N1Cc1ccc(F)cc1 Homo sapiens CHEMBL4626854 cell-based format
CHEMBL3687358 OBDepict HO O S N O O N O F F F IC50 = 4.3 nM 568.57 O=C(O)c1ccc(S(=O)(=O)N(c2ncc3ccccc3c2C2CC2)C2CCc3cc(OC(F)(F)F)ccc32)cc1 Homo sapiens CHEMBL3705684 cell-based format
CHEMBL3682610 OBDepict CH 3 N N S O O O OH Cl O F F F IC50 = 4.3 nM 550.94 Cc1cc2cccc(Cl)c2nc1N(Cc1ccc(OC(F)(F)F)cc1)S(=O)(=O)c1ccc(C(=O)O)cc1 Homo sapiens CHEMBL3705684 cell-based format
CHEMBL3687347 OBDepict HO O S N O O N CH 3 F IC50 = 4.4 nM 490.56 Cc1c(N(Cc2cc(F)c3c(c2)CCC3)S(=O)(=O)c2ccc(C(=O)O)cc2)ncc2ccccc12 Homo sapiens CHEMBL3705684 cell-based format
CHEMBL3687362 OBDepict HO O S N O O N CH 3 F F IC50 = 4.6 nM 522.57 Cc1c(N(Cc2ccc(C(F)(F)C3CC3)cc2)S(=O)(=O)c2ccc(C(=O)O)cc2)ncc2ccccc12 Homo sapiens CHEMBL3705684 cell-based format
CHEMBL3682550 OBDepict HO O S N O O N CH 3 IC50 = 4.6 nM 486.59 Cc1c(N(Cc2ccc(CC3CC3)cc2)S(=O)(=O)c2ccc(C(=O)O)cc2)ncc2ccccc12 Homo sapiens CHEMBL3705684 cell-based format
CHEMBL3687368 OBDepict HO O S N O O N CH 3 S Cl IC50 = 4.6 nM 523.04 Cc1c(N(Cc2sc3ccccc3c2Cl)S(=O)(=O)c2ccc(C(=O)O)cc2)ncc2ccccc12 Homo sapiens CHEMBL3705684 cell-based format
CHEMBL3682545 OBDepict CH 3 O CH 3 F F F N S O O O HO N H 3 C IC50 = 4.7 nM 572.61 CCOC(C)(c1ccc(CN(c2ncc3ccccc3c2C)S(=O)(=O)c2ccc(C(=O)O)cc2)cc1)C(F)(F)F Homo sapiens CHEMBL3705684 cell-based format
CHEMBL3682566 OBDepict HO O S N O O N CH 3 IC50 = 4.7 nM 486.59 Cc1c(N(Cc2ccc3c(c2)CCCC3)S(=O)(=O)c2ccc(C(=O)O)cc2)ncc2ccccc12 Homo sapiens CHEMBL3705684 cell-based format
CHEMBL3682584 OBDepict CH 3 O CH 3 F F F N S O O O HO N CH 3 IC50 = 4.7 nM 558.58 COC(C)(c1ccc(CN(c2ncc3ccccc3c2C)S(=O)(=O)c2ccc(C(=O)O)cc2)cc1)C(F)(F)F Homo sapiens CHEMBL3705684 cell-based format
CHEMBL3682553 OBDepict _ O O S N O O N CH 3 F F F F + Na IC50 = 4.9 nM 540.47 Cc1c(N(Cc2ccc(F)c(C(F)(F)F)c2)S(=O)(=O)c2ccc(C(=O)[O-])cc2)ncc2ccccc12.[Na+] Homo sapiens CHEMBL3705684 cell-based format
CHEMBL3687391 OBDepict H 3 C O CH 3 F F F F N S O O O OH N CH 3 IC50 = 5.0 nM 590.6 CCOC(C)(c1ccc(CN(c2ncc3ccccc3c2C)S(=O)(=O)c2ccc(C(=O)O)cc2)cc1F)C(F)(F)F Homo sapiens CHEMBL3705684 cell-based format
CHEMBL4237618 OBDepict O N H N H H N O F F F F F IC50 = 5.0 nM 409.31 O=C(N[C@@H](c1ccc(C(F)(F)F)c(F)c1)c1ncccc1F)c1ccc(=O)[nH]c1 Homo sapiens CHEMBL4236562 cell-based format
CHEMBL3682546 OBDepict CH 3 N N S O O O OH O F F F IC50 = 5.0 nM 516.5 Cc1cc2ccccc2nc1N(Cc1ccc(OC(F)(F)F)cc1)S(=O)(=O)c1ccc(C(=O)O)cc1 Homo sapiens CHEMBL3705684 cell-based format
CHEMBL3639814 OBDepict _ O O S N O O N CH 3 O H 3 C H 3 C + Na IC50 = 5.3 nM 524.57 Cc1c(N(Cc2ccc3c(c2)OCC3(C)C)S(=O)(=O)c2ccc(C(=O)[O-])cc2)ncc2ccccc12.[Na+] Homo sapiens CHEMBL3705684 cell-based format
CHEMBL3687371 OBDepict Cl S N S O O O HO N CH 3 IC50 = 5.4 nM 523.04 Cc1c(N(Cc2cc3cc(Cl)ccc3s2)S(=O)(=O)c2ccc(C(=O)O)cc2)ncc2ccccc12 Homo sapiens CHEMBL3705684 cell-based format
CHEMBL3687398 OBDepict H 3 C CH 3 N N S O O O HO O F F F IC50 = 5.6 nM 544.55 CC(C)c1c(N(Cc2ccc(OC(F)(F)F)cc2)S(=O)(=O)c2ccc(C(=O)O)cc2)ncc2ccccc12 Homo sapiens CHEMBL3705684 cell-based format
CHEMBL4251427 OBDepict O N H N H H N O F F F F F F IC50 = 6.0 nM 441.33 O=C(N[C@@H](c1ccc(C(F)(F)F)cc1)c1ncccc1C(F)(F)F)c1ccc(=O)[nH]c1 Homo sapiens CHEMBL4236562 cell-based format
CHEMBL3687366 OBDepict F F S N S O O O HO N CH 3 IC50 = 6.0 nM 524.57 Cc1c(N(Cc2cc3cc(F)cc(F)c3s2)S(=O)(=O)c2ccc(C(=O)O)cc2)ncc2ccccc12 Homo sapiens CHEMBL3705684 cell-based format
CHEMBL3353610 OBDepict HO O S N O O S CH 3 F F F F IC50 = 6.2 nM 523.53 Cc1c(N(Cc2ccc(C(F)(F)F)c(F)c2)S(=O)(=O)c2ccc(C(=O)O)cc2)sc2ccccc12 Homo sapiens CHEMBL3383300 cell-based format
CHEMBL3687328 OBDepict H 3 C N N S O O O HO O F F F IC50 = 6.2 nM 530.52 CCc1c(N(Cc2ccc(OC(F)(F)F)cc2)S(=O)(=O)c2ccc(C(=O)O)cc2)ncc2ccccc12 Homo sapiens CHEMBL3705684 cell-based format
CHEMBL4649088 OBDepict H N N O H H NH O IC50 = 6.57 nM 345.4 O=C1N[C@H](Cc2ccccc2)C(=O)N2Cc3[nH]c4ccccc4c3C[C@@H]12 Homo sapiens CHEMBL4626854 cell-based format
CHEMBL3687352 OBDepict HO O S N O O N CH 3 IC50 = 6.9 nM 486.59 Cc1cc2ccccc2nc1N(Cc1ccc2c(c1)CCCC2)S(=O)(=O)c1ccc(C(=O)O)cc1 Homo sapiens CHEMBL3705684 cell-based format
CHEMBL3687402 OBDepict H 3 C CH 3 N N S O O O HO O F F F IC50 = 6.9 nM 584.62 CC(C)c1nc(N(Cc2ccc(OC(F)(F)F)cc2)S(=O)(=O)c2ccc(C(=O)O)cc2)c(C2CC2)c2ccccc12 Homo sapiens CHEMBL3705684 cell-based format
CHEMBL3687343 OBDepict F N S O O O HO N CH 3 IC50 = 7.1 nM 504.58 Cc1c(N(Cc2ccc(CC3CC3)cc2F)S(=O)(=O)c2ccc(C(=O)O)cc2)ncc2ccccc12 Homo sapiens CHEMBL3705684 cell-based format
CHEMBL3687399 OBDepict CH 3 O N N CH 3 S O O O HO O F F F IC50 = 7.2 nM 560.55 CCOc1nc(N(Cc2ccc(OC(F)(F)F)cc2)S(=O)(=O)c2ccc(C(=O)O)cc2)c(C)c2ccccc12 Homo sapiens CHEMBL3705684 cell-based format
CHEMBL3682582 OBDepict _ O O S N O O N CH 3 CH 3 O F F F + Na IC50 = 7.6 nM 552.51 Cc1nc(N(Cc2ccc(OC(F)(F)F)cc2)S(=O)(=O)c2ccc(C(=O)[O-])cc2)c(C)c2ccccc12.[Na+] Homo sapiens CHEMBL3705684 cell-based format
CHEMBL4648953 OBDepict F H N N H O N H O F F F IC50 = 7.67 nM 479.43 O=C1[C@@H]2Cc3c([nH]c4ccccc34)[C@H](c3ccc(F)cc3)N2C(=O)N1c1cccc(C(F)(F)F)c1 Homo sapiens CHEMBL4626854 cell-based format
CHEMBL3687355 OBDepict CH 3 N N S O O O HO IC50 = 7.7 nM 486.59 Cc1cc2ccccc2nc1N(Cc1ccc(CC2CC2)cc1)S(=O)(=O)c1ccc(C(=O)O)cc1 Homo sapiens CHEMBL3705684 cell-based format
CHEMBL3353602 OBDepict HO O S N O O N Cl F F F CH 3 IC50 = 8.0 nM 524.95 CC1(c2ccc(CN(c3ncc(C(F)(F)F)cc3Cl)S(=O)(=O)c3ccc(C(=O)O)cc3)cc2)CC1 Homo sapiens CHEMBL3383300 cell-based format
CHEMBL4247840 OBDepict OH N H O H N F F F F F F IC50 = 8.0 nM 440.34 O=C(N[C@@H](c1ccc(C(F)(F)F)cc1)c1ncccc1C(F)(F)F)c1ccc(O)cc1 Homo sapiens CHEMBL4236562 cell-based format
CHEMBL3687385 OBDepict CH 3 N N CH 3 S O O O HO O F F F IC50 = 8.1 nM 544.55 CCc1nc(N(Cc2ccc(OC(F)(F)F)cc2)S(=O)(=O)c2ccc(C(=O)O)cc2)c(C)c2ccccc12 Homo sapiens CHEMBL3705684 cell-based format
CHEMBL3682567 OBDepict HO O S N O O N CH 3 IC50 = 8.1 nM 472.57 Cc1c(N(Cc2ccc3c(c2)CCC3)S(=O)(=O)c2ccc(C(=O)O)cc2)ncc2ccccc12 Homo sapiens CHEMBL3705684 cell-based format
CHEMBL3687386 OBDepict HO O S N O O N CH 3 CH 3 O F F F IC50 = 8.2 nM 570.59 Cc1c(N(Cc2ccc(OC(F)(F)F)cc2)S(=O)(=O)c2ccc(C(=O)O)cc2)nc(C2CC2)c2c(C)cccc12 Homo sapiens CHEMBL3705684 cell-based format
CHEMBL3682569 OBDepict HO O S N O O N CH 3 CH 3 CH 3 IC50 = 8.3 nM 500.62 Cc1c(N(Cc2ccc3c(c2)CC(C)(C)C3)S(=O)(=O)c2ccc(C(=O)O)cc2)ncc2ccccc12 Homo sapiens CHEMBL3705684 cell-based format
CHEMBL3353597 OBDepict Cl N N S F F F O O O OH O F F F IC50 = 8.3 nM 554.85 O=C(O)c1ccc(S(=O)(=O)N(Cc2ccc(OC(F)(F)F)cc2)c2ncc(C(F)(F)F)cc2Cl)cc1 Homo sapiens CHEMBL3383300 cell-based format
CHEMBL3687412 OBDepict NH 2 O S N O O N O F F F IC50 = 8.5 nM 541.55 NC(=O)c1ccc(S(=O)(=O)N(Cc2ccc(OC(F)(F)F)cc2)c2ncc3ccccc3c2C2CC2)cc1 Homo sapiens CHEMBL3705684 cell-based format
CHEMBL3682555 OBDepict HO O S N O O N CH 3 IC50 = 8.6 nM 482.56 Cc1c(N(Cc2ccc3ccccc3c2)S(=O)(=O)c2ccc(C(=O)O)cc2)ncc2ccccc12 Homo sapiens CHEMBL3705684 cell-based format
CHEMBL3687363 OBDepict HO O S N O O N CH 3 O F F F IC50 = 8.8 nM 530.52 Cc1c(N(Cc2ccc(COC(F)(F)F)cc2)S(=O)(=O)c2ccc(C(=O)O)cc2)ncc2ccccc12 Homo sapiens CHEMBL3705684 cell-based format
CHEMBL2443061 OBDepict O N N H O O H HO Cl F F F IC50 = 8.9 nM 456.85 O=C(Nc1ccc(OC(F)(F)F)cc1)N1CCC2(CC1)C[C@@H](O)c1cccc(Cl)c1O2 Homo sapiens CHEMBL2444600 cell-based format
CHEMBL3353594 OBDepict HO O S N O O N Cl F F F F F F IC50 = 8.9 nM 538.85 O=C(O)c1ccc(S(=O)(=O)N(Cc2ccc(C(F)(F)F)cc2)c2ncc(C(F)(F)F)cc2Cl)cc1 Homo sapiens CHEMBL3383300 cell-based format
CHEMBL4243837 OBDepict F N N H H O F O N H F F F O IC50 = 9.0 nM 425.31 O=C(N[C@@H](c1ccc(OC(F)(F)F)c(F)c1)c1ncccc1F)c1ccc(=O)[nH]c1 Homo sapiens CHEMBL4236562 cell-based format
CHEMBL3687397 OBDepict HO O S N O O N CH 3 O F F F IC50 = 9.2 nM 584.62 Cc1c(N(Cc2ccc(OC(F)(F)F)cc2)S(=O)(=O)c2ccc(C(=O)O)cc2)nc(C2CCCC2)c2ccccc12 Homo sapiens CHEMBL3705684 cell-based format
CHEMBL2443079 OBDepict O N N H O O H HO F F F F IC50 = 9.5 nM 440.39 O=C(Nc1ccc(OC(F)(F)F)cc1)N1CCC2(CC1)C[C@@H](O)c1cccc(F)c1O2 Homo sapiens CHEMBL2444600 cell-based format
CHEMBL3687379 OBDepict HO O S N O O N CH 3 F F F IC50 = 9.6 nM 540.56 Cc1cc2ccccc2nc1N(Cc1ccc(F)c(C(F)(F)C2CC2)c1)S(=O)(=O)c1ccc(C(=O)O)cc1 Homo sapiens CHEMBL3705684 cell-based format
CHEMBL3682580 OBDepict F N S O O O HO N CH 3 IC50 = 10.0 nM 526.59 Cc1c(N(Cc2ccc(-c3ccccc3F)cc2)S(=O)(=O)c2ccc(C(=O)O)cc2)ncc2ccccc12 Homo sapiens CHEMBL3705684 cell-based format
CHEMBL4251467 OBDepict O N H N H N O OH F F F F F F IC50 = 10.0 nM 469.34 O=C(O)c1ccc(C(=O)N[C@@H](c2ccc(C(F)(F)F)cc2)c2ncccc2C(F)(F)F)nc1 Homo sapiens CHEMBL4236562 cell-based format
CHEMBL3687413 OBDepict H 2 N O S N O O N F F F O F F F IC50 = 10.0 nM 569.48 NC(=O)c1ccc(S(=O)(=O)N(Cc2ccc(OC(F)(F)F)cc2)c2ncc3ccccc3c2C(F)(F)F)cc1 Homo sapiens CHEMBL3705684 cell-based format
CHEMBL3687403 OBDepict HO O S N O O N O F F F IC50 = 10.0 nM 582.6 O=C(O)c1ccc(S(=O)(=O)N(Cc2ccc(OC(F)(F)F)cc2)c2nc(C3CC3)c3ccccc3c2C2CC2)cc1 Homo sapiens CHEMBL3705684 cell-based format
CHEMBL3235983 OBDepict O N HN H CH 3 H F F F F F F F IC50 = 10.0 nM 434.36 C[C@H](NC(=O)N1CCc2ccccc2[C@H]1c1ccc(C(F)(F)F)c(F)c1)C(F)(F)F Homo sapiens CHEMBL3239164 single protein format
CHEMBL4248077 OBDepict O N H N H H N O F F F F IC50 = 10.0 nM 391.32 O=C(N[C@@H](c1ccc(C(F)(F)F)cc1)c1ncccc1F)c1ccc(=O)[nH]c1 Homo sapiens CHEMBL4236562 cell-based format
CHEMBL3682577 OBDepict HO O S N O O N CH 3 O H 3 C H 3 C IC50 = 10.0 nM 502.59 Cc1c(N(Cc2ccc3c(c2)COC3(C)C)S(=O)(=O)c2ccc(C(=O)O)cc2)ncc2ccccc12 Homo sapiens CHEMBL3705684 cell-based format
CHEMBL3687378 OBDepict HO O S N O O N CH 3 F F F IC50 = 11.0 nM 540.56 Cc1c(N(Cc2ccc(F)c(C(F)(F)C3CC3)c2)S(=O)(=O)c2ccc(C(=O)O)cc2)ncc2ccccc12 Homo sapiens CHEMBL3705684 cell-based format
CHEMBL3353609 OBDepict Cl N Cl N S O O O HO F F F IC50 = 11.0 nM 505.3 O=C(O)c1ccc(S(=O)(=O)N(Cc2ccc(C(F)(F)F)cc2)c2ncc(Cl)cc2Cl)cc1 Homo sapiens CHEMBL3383300 cell-based format
CHEMBL3687369 OBDepict Cl S N S O O O HO N CH 3 IC50 = 11.0 nM 523.04 Cc1c(N(Cc2cc3ccc(Cl)cc3s2)S(=O)(=O)c2ccc(C(=O)O)cc2)ncc2ccccc12 Homo sapiens CHEMBL3705684 cell-based format
CHEMBL3682615 OBDepict CH 3 N N S Cl O O O _ O O F F F + Na IC50 = 11.0 nM 572.92 Cc1cc2c(Cl)cccc2nc1N(Cc1ccc(OC(F)(F)F)cc1)S(=O)(=O)c1ccc(C(=O)[O-])cc1.[Na+] Homo sapiens CHEMBL3705684 cell-based format
CHEMBL3682570 OBDepict _ O O S N O O N CH 3 S F F F F + Na IC50 = 11.0 nM 546.5 Cc1c(N(Cc2cc(F)c(C(F)(F)F)s2)S(=O)(=O)c2ccc(C(=O)[O-])cc2)ncc2ccccc12.[Na+] Homo sapiens CHEMBL3705684 cell-based format
CHEMBL3682585 OBDepict CH 3 N N CH 3 S O O O HO O F F F IC50 = 11.0 nM 558.58 CCCc1nc(N(Cc2ccc(OC(F)(F)F)cc2)S(=O)(=O)c2ccc(C(=O)O)cc2)c(C)c2ccccc12 Homo sapiens CHEMBL3705684 cell-based format
CHEMBL3235984 OBDepict O N HN H CH 3 H N F F F F F F F IC50 = 12.0 nM 435.34 C[C@H](NC(=O)N1CCc2cccnc2[C@H]1c1ccc(C(F)(F)F)c(F)c1)C(F)(F)F Homo sapiens CHEMBL3239164 single protein format