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P25024 | CXCR1_HUMAN | C-X-C chemokine receptor type 1 (CXCR1)

3D structures mapped by conservation among orthologs

[ Domain: "Family A G protein-coupled receptor-like" // 7tm_1_1 ]

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[ Alpha Fold Model ] (go)


Known binders annotated in ChEMBL

IC50 table Ki table

molecule_chembl_id structure assay_type relation values units mol_wt smiles organism assay_chembl_id bao_label
CHEMBL4442431 OBDepict H H 3 C _ N O S O O H 3 C O S O O F F F + Na IC50 = 0.1 nM 397.33 C[C@@H](C(=O)[N-]S(C)(=O)=O)c1ccc(OS(=O)(=O)C(F)(F)F)cc1.[Na+] Homo sapiens CHEMBL4309942 single protein format
CHEMBL191413 OBDepict CH 3 CH 3 CH 3 H N H O S O O CH 3 IC50 = 1.0 nM 283.39 CC(C)Cc1ccc([C@@H](C)C(=O)NS(C)(=O)=O)cc1 Homo sapiens CHEMBL2184854 single protein format
CHEMBL246108 OBDepict H 3 C NH H O O N H CH 3 CH 3 O OH N O CH 3 H 3 C Ki = 3.0 nM 425.49 CC[C@@H](Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O)c1cc(C(C)C)co1 Homo sapiens CHEMBL886376 cell-based format
CHEMBL516184 OBDepict CH 3 O N H H F H 3 C H O HN O HO N O H 3 C H 3 C Ki = 5.0 nM 415.42 Cc1coc([C@H](Nc2c(Nc3cccc(C(=O)N(C)C)c3O)c(=O)c2=O)[C@H](C)F)c1 Homo sapiens CHEMBL963306 single protein format
CHEMBL523984 OBDepict CH 3 O N H H F F CH 3 O HN O HO N O H 3 C H 3 C Ki = 6.0 nM 433.41 Cc1coc([C@H](Nc2c(Nc3cccc(C(=O)N(C)C)c3O)c(=O)c2=O)C(C)(F)F)c1 Homo sapiens CHEMBL963306 single protein format
CHEMBL491330 OBDepict CH 3 O N H H F F CH 3 O HN O HO N O H 3 C H 3 C Ki = 6.0 nM 433.41 Cc1ccc([C@H](Nc2c(Nc3cccc(C(=O)N(C)C)c3O)c(=O)c2=O)C(C)(F)F)o1 Homo sapiens CHEMBL963306 single protein format
CHEMBL473959 OBDepict CH 3 N CH 3 O HO N H O HN O H F F F O Ki = 6.0 nM 423.35 CN(C)C(=O)c1cccc(Nc2c(N[C@@H](c3ccco3)C(F)(F)F)c(=O)c2=O)c1O Homo sapiens CHEMBL963306 single protein format
CHEMBL245699 OBDepict CH 3 O N H H CH 3 O HN O HO N O H 3 C H 3 C Ki = 7.0 nM 411.46 CCc1coc([C@@H](CC)Nc2c(Nc3cccc(C(=O)N(C)C)c3O)c(=O)c2=O)c1 Homo sapiens CHEMBL886376 cell-based format
CHEMBL246108 OBDepict H 3 C NH H O O N H CH 3 CH 3 O OH N O CH 3 H 3 C IC50 = 7.3 nM 425.49 CC[C@@H](Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O)c1cc(C(C)C)co1 Homo sapiens CHEMBL886376 cell-based format
CHEMBL464013 OBDepict H 3 C HN H O N H 3 C S N HN HO N O F F F H 3 C CH 3 Ki = 7.5 nM 469.49 CC[C@@H](Nc1nsnc1Nc1ccc(C(F)(F)F)c(C(=O)N(C)C)c1O)c1ccc(C)o1 Homo sapiens CHEMBL963308 single protein format
CHEMBL396573 OBDepict CH 3 N H H O O HN CH 3 O CH 3 HO N O H 3 C H 3 C Ki = 7.6 nM 439.51 CCC(C)c1coc([C@@H](CC)Nc2c(Nc3cccc(C(=O)N(C)C)c3O)c(=O)c2=O)c1 Homo sapiens CHEMBL886376 cell-based format
CHEMBL518857 OBDepict O O HN N H H OH F F F N O O H 3 C CH 3 O Ki = 8.0 nM 477.4 CN(C)C(=O)c1cccc(Nc2c(N[C@@H](c3ccc4c(c3)OCO4)C(F)(F)F)c(=O)c2=O)c1O Homo sapiens CHEMBL963306 single protein format
CHEMBL245501 OBDepict H 3 C NH H O CH 3 O N H O OH N O CH 3 H 3 C Ki = 9.0 nM 397.43 CC[C@@H](Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O)c1cc(C)co1 Homo sapiens CHEMBL886376 cell-based format
CHEMBL515262 OBDepict CH 3 O N H H F F F O HN O HO N O H 3 C H 3 C Ki = 9.0 nM 437.37 Cc1ccc([C@H](Nc2c(Nc3cccc(C(=O)N(C)C)c3O)c(=O)c2=O)C(F)(F)F)o1 Homo sapiens CHEMBL963306 single protein format
CHEMBL523645 OBDepict CH 3 O N H H F F F F F O HN O HO N O H 3 C H 3 C Ki = 10.0 nM 487.38 Cc1ccc([C@H](Nc2c(Nc3cccc(C(=O)N(C)C)c3O)c(=O)c2=O)C(F)(F)C(F)(F)F)o1 Homo sapiens CHEMBL963306 single protein format
CHEMBL247150 OBDepict CH 3 H 3 C O N H H O HN O HO N O H 3 C H 3 C Ki = 10.0 nM 437.5 CC(C)c1coc([C@H](Nc2c(Nc3cccc(C(=O)N(C)C)c3O)c(=O)c2=O)C2CC2)c1 Homo sapiens CHEMBL886376 cell-based format
CHEMBL394899 OBDepict H 3 C NH H O O N H CH 3 H 3 C CH 3 O OH N O CH 3 H 3 C Ki = 10.0 nM 439.51 CC[C@@H](Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O)c1cc(C(C)(C)C)co1 Homo sapiens CHEMBL886376 cell-based format
CHEMBL247149 OBDepict H 3 C CH 3 O N H H CH 3 CH 3 O HN O HO N O H 3 C H 3 C Ki = 11.0 nM 439.51 CC(C)c1coc([C@H](Nc2c(Nc3cccc(C(=O)N(C)C)c3O)c(=O)c2=O)C(C)C)c1 Homo sapiens CHEMBL886376 cell-based format
CHEMBL376414 OBDepict CH 3 O N H H CH 3 H 3 C CH 3 O HN O HO N O H 3 C H 3 C IC50 = 11.0 nM 425.49 Cc1ccc([C@H](Nc2c(Nc3cccc(C(=O)N(C)C)c3O)c(=O)c2=O)C(C)(C)C)o1 Homo sapiens CHEMBL912816 cell-based format
CHEMBL139 OBDepict OH O N H Cl Cl IC50 = 12.0 nM 296.15 O=C(O)Cc1ccccc1Nc1c(Cl)cccc1Cl Homo sapiens CHEMBL1055471 cell-based format
CHEMBL462155 OBDepict N N H 3 C O OH N H N S N HN H CH 3 CH 3 H 3 C O CH 3 Ki = 13.0 nM 468.58 Cc1ccc([C@H](Nc2nsnc2Nc2cccc(C(=O)N(C)CCC#N)c2O)C(C)(C)C)o1 Homo sapiens CHEMBL963308 single protein format
CHEMBL518201 OBDepict CH 3 NH H O N CH 3 S N NH OH N O CH 3 CH 3 Ki = 13.0 nM 401.49 CC[C@@H](Nc1nsnc1Nc1cccc(C(=O)N(C)C)c1O)c1ccc(C)o1 Homo sapiens CHEMBL963308 single protein format
CHEMBL247356 OBDepict H 3 C CH 3 O N H H CH 3 H 3 C CH 3 O HN O HO N O H 3 C H 3 C Ki = 14.0 nM 453.54 CC(C)c1coc([C@H](Nc2c(Nc3cccc(C(=O)N(C)C)c3O)c(=O)c2=O)C(C)(C)C)c1 Homo sapiens CHEMBL886376 cell-based format
CHEMBL455431 OBDepict H 3 C O N H H CH 3 CH 3 H 3 C N S N HN HO N O CH 3 H 3 C Ki = 14.0 nM 429.55 Cc1ccc([C@H](Nc2nsnc2Nc2cccc(C(=O)N(C)C)c2O)C(C)(C)C)o1 Homo sapiens CHEMBL963308 single protein format
CHEMBL462331 OBDepict N N H 3 C O OH N H N S N HN H CH 3 CH 3 H 3 C O Ki = 14.0 nM 454.56 CN(CCC#N)C(=O)c1cccc(Nc2nsnc2N[C@@H](c2ccco2)C(C)(C)C)c1O Homo sapiens CHEMBL963308 single protein format
CHEMBL464012 OBDepict CH 3 H 3 C NH H S N CH 3 S N NH OH N O CH 3 CH 3 Ki = 14.0 nM 431.59 Cc1ccc([C@H](Nc2nsnc2Nc2cccc(C(=O)N(C)C)c2O)C(C)C)s1 Homo sapiens CHEMBL963308 single protein format
CHEMBL246107 OBDepict H 3 C NH H O N H O O OH N N O CH 3 H 3 C O Ki = 14.0 nM 524.62 CC[C@@H](Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O)c1cc(CCCCN2CCOCC2)co1 Homo sapiens CHEMBL886376 cell-based format
CHEMBL510437 OBDepict CH 3 H 3 C NH H O N CH 3 S N NH OH N O CH 3 CH 3 Ki = 15.0 nM 415.52 Cc1ccc([C@H](Nc2nsnc2Nc2cccc(C(=O)N(C)C)c2O)C(C)C)o1 Homo sapiens CHEMBL963308 single protein format
CHEMBL508938 OBDepict CH 3 N CH 3 O OH N H N S N NH H H 3 C H 3 C CH 3 O Ki = 15.0 nM 415.52 CN(C)C(=O)c1cccc(Nc2nsnc2N[C@@H](c2ccco2)C(C)(C)C)c1O Homo sapiens CHEMBL963308 single protein format
CHEMBL462024 OBDepict CH 3 N CH 3 O HO HN N S N N H H Ki = 16.0 nM 409.52 CN(C)C(=O)c1cccc(Nc2nsnc2N[C@@H](c2ccccc2)C2CC2)c1O Homo sapiens CHEMBL963308 single protein format
CHEMBL442799 OBDepict H 3 C CH 3 O N H H F F F O HN O HO N O H 3 C H 3 C Ki = 16.0 nM 465.43 CC(C)c1coc([C@H](Nc2c(Nc3cccc(C(=O)N(C)C)c3O)c(=O)c2=O)C(F)(F)F)c1 Homo sapiens CHEMBL886376 cell-based format
CHEMBL514001 OBDepict CH 3 O N H H F H 3 C H O HN O HO N O H 3 C H 3 C Ki = 16.0 nM 415.42 Cc1ccc([C@H](Nc2c(Nc3cccc(C(=O)N(C)C)c3O)c(=O)c2=O)[C@H](C)F)o1 Homo sapiens CHEMBL963306 single protein format
CHEMBL216981 OBDepict H 3 C NH H O CH 3 O N H O OH N O CH 3 H 3 C Ki = 18.0 nM 397.43 CC[C@@H](Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O)c1ccc(C)o1 Homo sapiens CHEMBL886376 cell-based format
CHEMBL518696 OBDepict CH 3 O N H H H 3 C H 3 C CH 3 N S N NH OH N O O Ki = 18.0 nM 471.58 Cc1ccc([C@H](Nc2nsnc2Nc2cccc(C(=O)N3CCOCC3)c2O)C(C)(C)C)o1 Homo sapiens CHEMBL963308 single protein format
CHEMBL461816 OBDepict CH 3 NH H N F F S N NH OH N O CH 3 CH 3 Ki = 20.0 nM 433.48 CC[C@@H](Nc1nsnc1Nc1cccc(C(=O)N(C)C)c1O)c1cc(F)cc(F)c1 Homo sapiens CHEMBL963308 single protein format
CHEMBL491135 OBDepict Cl O NH H F F F O N H O HO N O CH 3 CH 3 Ki = 20.0 nM 457.79 CN(C)C(=O)c1cccc(Nc2c(N[C@@H](c3cc(Cl)co3)C(F)(F)F)c(=O)c2=O)c1O Homo sapiens CHEMBL963306 single protein format
CHEMBL3913959 OBDepict CH 3 O HN S O N H O HO S Cl N O O CH 3 H 3 C IC50 = 20.0 nM 526.04 Cc1ccc(C(Nc2c(Nc3ccc(Cl)c(S(=O)(=O)N(C)C)c3O)c(=O)c2=O)C2CCCS2)o1 Homo sapiens CHEMBL3888716 assay format
CHEMBL464509 OBDepict CH 3 NH H N S N NH OH N O CH 3 CH 3 Ki = 21.0 nM 397.5 CC[C@@H](Nc1nsnc1Nc1cccc(C(=O)N(C)C)c1O)c1ccccc1 Homo sapiens CHEMBL963308 single protein format
CHEMBL556656 OBDepict H 3 C NH H O N H O OH N O H OH Ki = 21.0 nM 435.48 CC[C@@H](Nc1c(Nc2cccc(C(=O)N3CC[C@H](O)C3)c2O)c(=O)c1=O)c1ccccc1 Homo sapiens CHEMBL1055928 single protein format
CHEMBL403547 OBDepict _ O + S N HN HN HN H CH 3 CH 3 H 3 C O HO N O CH 3 H 3 C Ki = 21.0 nM 431.52 CN(C)C(=O)c1cccc(Nc2n[s+]([O-])nc2N[C@@H](c2ccco2)C(C)(C)C)c1O Homo sapiens CHEMBL927477 single protein format
CHEMBL523437 OBDepict H 3 C F F NH H O CH 3 O N H O OH N O CH 3 H 3 C Ki = 22.0 nM 447.44 CCC(F)(F)[C@@H](Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O)c1ccc(C)o1 Homo sapiens CHEMBL963306 single protein format
CHEMBL184637 OBDepict O N H HN Br HO OH IC50 = 22.0 nM 323.15 O=C(Nc1ccc(O)cc1O)Nc1ccccc1Br Homo sapiens CHEMBL828738 single protein format
CHEMBL239767 OBDepict O N H NH Br OH + N O _ O IC50 = 22.0 nM 352.14 O=C(Nc1ccc([N+](=O)[O-])cc1O)Nc1ccccc1Br Homo sapiens CHEMBL2184855 cell-based format
CHEMBL491487 OBDepict CH 3 O N H H F CH 3 H 3 C O HN O HO N O H 3 C H 3 C Ki = 24.0 nM 429.45 Cc1ccc([C@H](Nc2c(Nc3cccc(C(=O)N(C)C)c3O)c(=O)c2=O)C(C)(C)F)o1 Homo sapiens CHEMBL963306 single protein format
CHEMBL393900 OBDepict H 3 C NH H S CH 3 O N H O OH N O CH 3 H 3 C Ki = 24.0 nM 413.5 CC[C@@H](Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O)c1cc(C)cs1 Homo sapiens CHEMBL886376 cell-based format
CHEMBL523769 OBDepict H 3 C CH 3 O N H H F F CH 3 O HN O HO N O H 3 C H 3 C Ki = 25.0 nM 461.47 CC(C)c1coc([C@H](Nc2c(Nc3cccc(C(=O)N(C)C)c3O)c(=O)c2=O)C(C)(F)F)c1 Homo sapiens CHEMBL963306 single protein format
CHEMBL218115 OBDepict H 3 C NH H O O N H O OH N O CH 3 H 3 C IC50 = 26.0 nM 383.4 CC[C@@H](Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O)c1ccco1 Homo sapiens CHEMBL912816 cell-based format
CHEMBL246318 OBDepict CH 3 N H H O O HN CH 3 CH 3 O HO N O H 3 C H 3 C Ki = 30.0 nM 453.54 CCC(CC)c1coc([C@@H](CC)Nc2c(Nc3cccc(C(=O)N(C)C)c3O)c(=O)c2=O)c1 Homo sapiens CHEMBL886376 cell-based format
CHEMBL556862 OBDepict CH 3 NH H O N H O OH N O O HO Ki = 30.0 nM 463.49 CC[C@@H](Nc1c(Nc2cccc(C(=O)N3CCCC3C(=O)O)c2O)c(=O)c1=O)c1ccccc1 Homo sapiens CHEMBL1055928 single protein format
CHEMBL491506 OBDepict CH 3 N H 3 C O OH N H O NH O H F F CH 3 O H 3 C Ki = 30.0 nM 433.41 Cc1ccoc1[C@H](Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O)C(C)(F)F Homo sapiens CHEMBL963306 single protein format
CHEMBL3952996 OBDepict H 3 C N N S O O Cl HO HN O N H O O S H 3 C IC50 = 30.0 nM 581.12 Cc1ccc(C(Nc2c(Nc3ccc(Cl)c(S(=O)(=O)N4CCN(C)CC4)c3O)c(=O)c2=O)C2CCCS2)o1 Homo sapiens CHEMBL3888716 assay format
CHEMBL3426944 OBDepict F HN O N S B O OH OH F F F IC50 = 31.0 nM 466.22 O=C(Nc1ccc(F)cc1)c1ccc(SCc2cc(OC(F)(F)F)ccc2B(O)O)nc1 Homo sapiens CHEMBL3427961 cell-based format
CHEMBL384889 OBDepict H 3 C CH 3 N H H O CH 3 O HN O HO N O H 3 C H 3 C IC50 = 34.0 nM 411.46 Cc1ccc([C@H](Nc2c(Nc3cccc(C(=O)N(C)C)c3O)c(=O)c2=O)C(C)C)o1 Homo sapiens CHEMBL912816 cell-based format
CHEMBL246106 OBDepict CH 3 O N H H CH 3 O HN O HO N O H 3 C H 3 C Ki = 34.0 nM 439.51 CCCCc1coc([C@@H](CC)Nc2c(Nc3cccc(C(=O)N(C)C)c3O)c(=O)c2=O)c1 Homo sapiens CHEMBL886376 cell-based format
CHEMBL462156 OBDepict N N H 3 C O OH N H N S N HN H CH 3 CH 3 H 3 C O H 3 C CH 3 Ki = 34.0 nM 496.64 CC(C)c1coc([C@H](Nc2nsnc2Nc2cccc(C(=O)N(C)CCC#N)c2O)C(C)(C)C)c1 Homo sapiens CHEMBL963308 single protein format
CHEMBL491134 OBDepict Cl O HN H F F F O N H O OH N O H 3 C H 3 C Ki = 34.0 nM 457.79 CN(C)C(=O)c1cccc(Nc2c(N[C@@H](c3ccc(Cl)o3)C(F)(F)F)c(=O)c2=O)c1O Homo sapiens CHEMBL963306 single protein format
CHEMBL455209 OBDepict H 3 C N H H O N CH 3 S N NH OH N O CH 3 CH 3 Ki = 35.0 nM 401.49 CC[C@@H](Nc1nsnc1Nc1cccc(C(=O)N(C)C)c1O)c1cc(C)co1 Homo sapiens CHEMBL963308 single protein format
CHEMBL216981 OBDepict H 3 C NH H O CH 3 O N H O OH N O CH 3 H 3 C IC50 = 36.0 nM 397.43 CC[C@@H](Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O)c1ccc(C)o1 Homo sapiens CHEMBL912816 cell-based format
CHEMBL517430 OBDepict CH 3 N CH 3 O OH N H N S N NH F F F Ki = 36.0 nM 437.45 CN(C)C(=O)c1cccc(Nc2nsnc2NC(c2ccccc2)C(F)(F)F)c1O Homo sapiens CHEMBL963308 single protein format
CHEMBL403206 OBDepict _ O + S HN N NH NH H H 3 C H 3 C CH 3 O OH H 3 C N O CH 3 CH 3 Ki = 38.0 nM 445.55 Cc1ccc([C@H](Nc2n[s+]([O-])nc2Nc2cccc(C(=O)N(C)C)c2O)C(C)(C)C)o1 Homo sapiens CHEMBL927477 single protein format
CHEMBL518802 OBDepict H 3 C O N H H CH 3 CH 3 H 3 C N S N HN HO N O F F F CH 3 H 3 C Ki = 38.0 nM 497.54 Cc1ccc([C@H](Nc2nsnc2Nc2ccc(C(F)(F)F)c(C(=O)N(C)C)c2O)C(C)(C)C)o1 Homo sapiens CHEMBL963308 single protein format
CHEMBL254370 OBDepict H 3 C NH H O N H O OH N O CH 3 H 3 C Ki = 40.0 nM 393.44 CC[C@@H](Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O)c1ccccc1 Homo sapiens CHEMBL963306 single protein format
CHEMBL464301 OBDepict CH 3 N CH 3 O HO N H O HN O H F F F Ki = 40.0 nM 433.39 CN(C)C(=O)c1cccc(Nc2c(N[C@@H](c3ccccc3)C(F)(F)F)c(=O)c2=O)c1O Homo sapiens CHEMBL963306 single protein format
CHEMBL562286 OBDepict H 3 C NH H O N H O OH N O N CH 3 Ki = 41.0 nM 448.52 CC[C@@H](Nc1c(Nc2cccc(C(=O)N3CCN(C)CC3)c2O)c(=O)c1=O)c1ccccc1 Homo sapiens CHEMBL1055928 single protein format
CHEMBL3904195 OBDepict CH 3 O O N CH 3 O HO N H O HN O H O S H 3 C IC50 = 42.0 nM 513.57 COC(=O)CN(C)C(=O)c1cccc(Nc2c(N[C@@H](c3ccc(C)o3)C3CCCS3)c(=O)c2=O)c1O Homo sapiens CHEMBL3888716 assay format
CHEMBL464302 OBDepict H 3 C N CH 3 O OH N H N S N HN CH 3 H CH 3 CH 3 H 3 C Ki = 43.0 nM 363.49 C[C@H](Nc1nsnc1Nc1cccc(C(=O)N(C)C)c1O)C(C)(C)C Homo sapiens CHEMBL963308 single protein format
CHEMBL472749 OBDepict H 3 C N H 3 C O OH N H O N H O H F H 3 C H O Ki = 43.0 nM 401.39 C[C@H](F)[C@@H](Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O)c1ccco1 Homo sapiens CHEMBL963306 single protein format
CHEMBL518355 OBDepict CH 3 N CH 3 O HO HN N S N N H H H 3 C H 3 C CH 3 Ki = 44.0 nM 465.62 CN(C)C(=O)c1cccc(Nc2nsnc2N[C@@H](c2ccc3c(c2)CCC3)C(C)(C)C)c1O Homo sapiens CHEMBL963308 single protein format
CHEMBL253495 OBDepict CH 3 N CH 3 O HO HN N S N N H O O H H 3 C H 3 C CH 3 O O Ki = 46.0 nM 501.57 CN(C)C(=O)c1cccc(NC2=NS(=O)(=O)N=C2N[C@@H](c2ccc3c(c2)OCO3)C(C)(C)C)c1O Homo sapiens CHEMBL927477 single protein format
CHEMBL246941 OBDepict CH 3 CH 3 O N H H 3 C H O HN O HO N O H 3 C H 3 C Ki = 50.0 nM 411.46 CC(C)c1coc([C@@H](C)Nc2c(Nc3cccc(C(=O)N(C)C)c3O)c(=O)c2=O)c1 Homo sapiens CHEMBL886376 cell-based format
CHEMBL254943 OBDepict _ O + S N N H NH N H H OH O H 3 C CH 3 N O H 3 C H 3 C CH 3 CH 3 Ki = 50.0 nM 445.55 Cc1cc([C@H](Nc2n[s+]([O-])nc2Nc2cccc(C(=O)N(C)C)c2O)C(C)C)oc1C Homo sapiens CHEMBL927477 single protein format
CHEMBL522959 OBDepict CH 3 N CH 3 O HO HN N S N N H H H 3 C H 3 C CH 3 O O Ki = 52.0 nM 469.57 CN(C)C(=O)c1cccc(Nc2nsnc2N[C@@H](c2ccc3c(c2)OCO3)C(C)(C)C)c1O Homo sapiens CHEMBL963308 single protein format
CHEMBL455430 OBDepict H 3 C O N H H F F F N S N HN HO N O CH 3 H 3 C Ki = 53.0 nM 441.44 Cc1ccc([C@H](Nc2nsnc2Nc2cccc(C(=O)N(C)C)c2O)C(F)(F)F)o1 Homo sapiens CHEMBL963308 single protein format
CHEMBL246731 OBDepict H 3 C NH H O O N H O OH N O CH 3 H 3 C Ki = 53.0 nM 451.52 CC[C@@H](Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O)c1cc(C2CCCC2)co1 Homo sapiens CHEMBL886376 cell-based format
CHEMBL563875 OBDepict H 3 C NH H S O N H O OH N N O CH 3 H 3 C Ki = 54.0 nM 424.48 CC[C@@H](Nc1c(Nc2cc(C#N)cc(C(=O)N(C)C)c2O)c(=O)c1=O)c1cccs1 Homo sapiens CHEMBL1055928 single protein format
CHEMBL401939 OBDepict H 3 C NH H O Br O N H O OH N O CH 3 H 3 C IC50 = 55.0 nM 462.3 CC[C@@H](Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O)c1cc(Br)co1 Homo sapiens CHEMBL927215 single protein format
CHEMBL218387 OBDepict N N N H NH Br OH S Cl N O O H 3 C H 3 C IC50 = 55.0 nM 472.75 CN(C)S(=O)(=O)c1c(Cl)ccc(N/C(=N/C#N)Nc2ccccc2Br)c1O Homo sapiens CHEMBL908414 cell-based format
CHEMBL216603 OBDepict H 3 C O N H H O HN O HO N O H 3 C H 3 C IC50 = 55.0 nM 409.44 Cc1ccc([C@H](Nc2c(Nc3cccc(C(=O)N(C)C)c3O)c(=O)c2=O)C2CC2)o1 Homo sapiens CHEMBL912816 cell-based format
CHEMBL253921 OBDepict CH 3 N CH 3 O OH N H N S N NH O O H H 3 C H 3 C CH 3 O Ki = 61.0 nM 447.52 CN(C)C(=O)c1cccc(NC2=NS(=O)(=O)N=C2N[C@@H](c2ccco2)C(C)(C)C)c1O Homo sapiens CHEMBL927477 single protein format
CHEMBL254942 OBDepict H 3 C N H H O N H + S N NH CH 3 H 3 C _ O OH N O CH 3 CH 3 Ki = 61.0 nM 445.55 CC[C@@H](Nc1n[s+]([O-])nc1Nc1cccc(C(=O)N(C)C)c1O)c1cc(C(C)C)co1 Homo sapiens CHEMBL927477 single protein format
CHEMBL253714 OBDepict H 3 C NH H O Cl O N H O OH N O CH 3 H 3 C IC50 = 62.0 nM 417.85 CC[C@@H](Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O)c1cc(Cl)co1 Homo sapiens CHEMBL927215 single protein format
CHEMBL252851 OBDepict H 3 C N H O O N H O OH N O CH 3 H 3 C IC50 = 67.0 nM 383.4 CCC(Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O)c1ccco1 Homo sapiens CHEMBL927215 single protein format
CHEMBL518030 OBDepict CH 3 N CH 3 O HO N H N S N N H H H 3 C H 3 C CH 3 O Ki = 76.0 nM 465.58 CN(C)C(=O)c1cccc(Nc2nsnc2N[C@@H](c2cc3ccccc3o2)C(C)(C)C)c1O Homo sapiens CHEMBL963308 single protein format
CHEMBL3951994 OBDepict CH 3 O N H S O HN O HO N O H 3 C H 3 C IC50 = 77.0 nM 455.54 Cc1ccc(C(Nc2c(Nc3cccc(C(=O)N(C)C)c3O)c(=O)c2=O)C2CCCS2)o1 Homo sapiens CHEMBL3888716 assay format
CHEMBL490689 OBDepict F N H H H 3 C CH 3 H 3 C N S N HN HO N O CH 3 CH 3 Ki = 78.0 nM 443.55 CN(C)C(=O)c1cccc(Nc2nsnc2N[C@@H](c2cccc(F)c2)C(C)(C)C)c1O Homo sapiens CHEMBL963308 single protein format
CHEMBL385715 OBDepict H 3 C NH H S O N H O OH N O CH 3 H 3 C IC50 = 81.0 nM 399.47 CC[C@@H](Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O)c1cccs1 Homo sapiens CHEMBL912816 cell-based format
CHEMBL3909470 OBDepict CH 3 O N H H S O HN O HO N O H 3 C F F F IC50 = 85.0 nM 523.53 Cc1ccc([C@H](Nc2c(Nc3cccc(C(=O)N(C)CC(F)(F)F)c3O)c(=O)c2=O)C2CCCS2)o1 Homo sapiens CHEMBL3888716 assay format
CHEMBL3935902 OBDepict CH 3 O O N H O HO N H O HN O O S H 3 C IC50 = 89.0 nM 513.57 COC(=O)CNCC(=O)c1cccc(Nc2c(NC(c3ccc(C)o3)C3CCCS3)c(=O)c2=O)c1O Homo sapiens CHEMBL3888716 assay format
CHEMBL253498 OBDepict H 3 C N H O Br O N H O OH N O CH 3 H 3 C IC50 = 93.0 nM 462.3 CCC(Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O)c1cc(Br)co1 Homo sapiens CHEMBL927215 single protein format
CHEMBL404249 OBDepict H 3 C N H O CH 3 O N H O OH N O CH 3 H 3 C IC50 = 99.0 nM 397.43 CCC(Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O)c1ccc(C)o1 Homo sapiens CHEMBL927215 single protein format
CHEMBL253497 OBDepict H 3 C N H O Cl O N H O OH N O CH 3 H 3 C IC50 = 100.0 nM 417.85 CCC(Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O)c1cc(Cl)co1 Homo sapiens CHEMBL927215 single protein format
CHEMBL218665 OBDepict N N N H HN Br HO S N O O H 3 C H 3 C F F F IC50 = 100.0 nM 506.3 CN(C)S(=O)(=O)c1c(C(F)(F)F)ccc(N/C(=N/C#N)Nc2ccccc2Br)c1O Homo sapiens CHEMBL908414 cell-based format
CHEMBL473145 OBDepict CH 3 N CH 3 O HO N H O HN O H O F F F Ki = 100.0 nM 437.37 CN(C)C(=O)c1cccc(Nc2c(N[C@H](CC(F)(F)F)c3ccco3)c(=O)c2=O)c1O Homo sapiens CHEMBL963306 single protein format
CHEMBL523807 OBDepict O O HN N H H OH F F F O N O Cl Cl H 3 C CH 3 Ki = 103.0 nM 492.24 CN(C)C(=O)c1cccc(Nc2c(N[C@@H](c3cc(Cl)c(Cl)o3)C(F)(F)F)c(=O)c2=O)c1O Homo sapiens CHEMBL963306 single protein format
CHEMBL221481 OBDepict N N HN N H Br OH S CH 3 HN O O N CH 3 CH 3 O IC50 = 104.0 nM 579.52 CCC(CC)(NS(=O)(=O)c1c(C)ccc(N/C(=N/C#N)Nc2ccccc2Br)c1O)N1CCOCC1 Homo sapiens CHEMBL908414 cell-based format
CHEMBL401940 OBDepict H 3 C NH H S O N H O OH N O CH 3 H 3 C IC50 = 104.0 nM 399.47 CC[C@@H](Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O)c1ccsc1 Homo sapiens CHEMBL927215 single protein format
CHEMBL3901913 OBDepict CH 3 O O H N O HO N H O HN O O S H 3 C IC50 = 108.0 nM 539.61 COC(=O)[C@H]1CCCN1C(=O)c1cccc(Nc2c(NC(c3ccc(C)o3)C3CCCS3)c(=O)c2=O)c1O Homo sapiens CHEMBL3888716 assay format
CHEMBL3956601 OBDepict CH 3 O N H S O HN O HO Cl N O H 3 C H 3 C IC50 = 113.0 nM 489.98 Cc1ccc(C(Nc2c(Nc3ccc(Cl)c(C(=O)N(C)C)c3O)c(=O)c2=O)C2CCCS2)o1 Homo sapiens CHEMBL3888716 assay format
CHEMBL3704573 OBDepict CH 3 N N S O O Cl HO N H O NH O H H 3 C O O H 3 C IC50 = 115.0 nM 565.05 Cc1ccc([C@H](Nc2c(Nc3ccc(Cl)c(S(=O)(=O)N4CCN(C)CC4)c3O)c(=O)c2=O)C2(C)COC2)o1 Homo sapiens CHEMBL3706377 cell-based format
CHEMBL3701196 OBDepict CH 3 O HN H 3 C O O N H O HO S Cl N O O CH 3 H 3 C IC50 = 117.0 nM 509.97 Cc1ccc(C(Nc2c(Nc3ccc(Cl)c(S(=O)(=O)N(C)C)c3O)c(=O)c2=O)C2(C)COC2)o1 Homo sapiens CHEMBL3706377 cell-based format