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P30968 | GNRHR_HUMAN | Gonadotropin-releasing hormone receptor (GNRHR)

3D structures mapped by conservation among orthologs



[ 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
CHEMBL441676 OBDepict O HN H O OH N H 3 C CH 3 NH O Cl CH 3 N S N IC50 = 0.1 nM 538.03 Cc1cc(-c2c(O)nc3cc(Cl)c(C(=O)Nc4cnsn4)cc3c2OCC[C@H]2CC(=O)N2)cc(C)c1C Homo sapiens CHEMBL831490 cell-based format
CHEMBL466731 OBDepict CH 3 O F O N CH 3 N O NH 2 H F S O O CH 3 Ki = 0.2 nM 555.6 COc1cccc(-c2c(C)n(Cc3c(F)cccc3S(C)(=O)=O)c(=O)n(C[C@H](N)c3ccccc3)c2=O)c1F Homo sapiens CHEMBL956658 single protein format
CHEMBL261979 OBDepict H 3 C H 3 C N H H 3 C H NH H 3 C H 3 C N O N H 3 C O IC50 = 0.2 nM 592.83 Cc1cc(C)cc(-c2[nH]c3ccc(C(C)(C)C(=O)N4CC5CCC4CC5)cc3c2[C@H](C)CNCCc2ccc(=O)n(C)c2)c1 Homo sapiens CHEMBL685985 single protein format
CHEMBL4159155 OBDepict CH 3 O NH 2 F N O O N CH 3 F O F F CH 3 IC50 = 0.29 nM 543.52 COc1ccc(F)cc1C(N)Cn1c(=O)c(-c2cccc(OC)c2F)c(C)n(Cc2c(F)cccc2F)c1=O Homo sapiens CHEMBL4146975 cell-based format
CHEMBL256109 OBDepict CH 3 O Cl O N H 3 C N O N H H 3 C H F F F F Ki = 0.3 nM 568.01 COc1cccc(-c2c(C)n(Cc3c(F)cccc3C(F)(F)F)c(=O)n(C[C@H](C)NC3CCCC3)c2=O)c1Cl Homo sapiens CHEMBL923765 single protein format
CHEMBL86912 OBDepict H 3 C H 3 C N H CH 3 H HN CH 3 CH 3 N O N OH IC50 = 0.3 nM 578.8 Cc1cc(C)cc(-c2[nH]c3ccc(C(C)(C)C(=O)N4CC5CCC4CC5)cc3c2[C@H](C)CNCCc2ccc(O)nc2)c1 Homo sapiens CHEMBL685985 single protein format
CHEMBL112400 OBDepict H 3 C H 3 C N H CH 3 H HN CH 3 CH 3 N O + N _ O IC50 = 0.3 nM 578.8 Cc1cc(C)cc(-c2[nH]c3ccc(C(C)(C)C(=O)N4CC5CCC4CC5)cc3c2[C@H](C)CNCCc2cc[n+]([O-])cc2)c1 Homo sapiens CHEMBL685986 single protein format
CHEMBL48192 OBDepict O N H Cl N N O N OH H NH CH 3 CH 3 CH 3 IC50 = 0.3 nM 546.07 Cc1cc(-c2c(O)nc3cc(Cl)c(C(=O)Nc4ccncn4)cc3c2OCC[C@@H]2CCCCN2)cc(C)c1C Homo sapiens CHEMBL684407 single protein format
CHEMBL364167 OBDepict O N H H O OH N CH 3 CH 3 NH O Cl CH 3 N S N IC50 = 0.3 nM 552.06 Cc1cc(-c2c(O)nc3cc(Cl)c(C(=O)Nc4cnsn4)cc3c2OCC[C@H]2CCC(=O)N2)cc(C)c1C Homo sapiens CHEMBL831490 cell-based format
CHEMBL169238 OBDepict H 3 C H 3 C N H H 3 C H N H H 3 C H 3 C N O N O IC50 = 0.3 nM 588.8 Cc1cc(C)cc(-c2[nH]c3ccc(C(C)(C)C(=O)N4C5CCC4CC5)cc3c2[C@H](C)CNCCc2ccc3ocnc3c2)c1 Homo sapiens CHEMBL685984 single protein format
CHEMBL324654 OBDepict H 3 C H 3 C N H H 3 C H NH H 3 C H 3 C N O + N H 3 C _ O IC50 = 0.3 nM 592.83 Cc1cc(C)cc(-c2[nH]c3ccc(C(C)(C)C(=O)N4CC5CCC4CC5)cc3c2[C@H](C)CNCCc2cc[n+]([O-])c(C)c2)c1 Homo sapiens CHEMBL685986 single protein format
CHEMBL362371 OBDepict O HN Cl N S N N O OH H N H CH 3 CH 3 CH 3 IC50 = 0.32 nM 524.05 Cc1cc(-c2c(O)nc3cc(Cl)c(C(=O)Nc4cnsn4)cc3c2OCC[C@@H]2CCN2)cc(C)c1C Homo sapiens CHEMBL831490 cell-based format
CHEMBL4165983 OBDepict CH 3 O F O N H 3 C N O H 2 N F F Cl IC50 = 0.38 nM 529.95 COc1cccc(-c2c(C)n(Cc3c(F)cccc3F)c(=O)n(CC(N)c3ccccc3Cl)c2=O)c1F Homo sapiens CHEMBL4146975 cell-based format
CHEMBL263004 OBDepict H 3 C H 3 C N H H 3 C H N H H 3 C H 3 C N O O N IC50 = 0.4 nM 588.8 Cc1cc(C)cc(-c2[nH]c3ccc(C(C)(C)C(=O)N4C5CCC4CC5)cc3c2[C@H](C)CNCCc2ccc3ncoc3c2)c1 Homo sapiens CHEMBL685984 single protein format
CHEMBL113574 OBDepict H 3 C H 3 C N H CH 3 H NH CH 3 CH 3 N O CH 3 N H 3 C IC50 = 0.4 nM 590.86 Cc1cc(C)cc(-c2[nH]c3ccc(C(C)(C)C(=O)N4CC5CCC4CC5)cc3c2[C@H](C)CNCCc2cc(C)nc(C)c2)c1 Homo sapiens CHEMBL685986 single protein format
CHEMBL166649 OBDepict H 3 C H 3 C N H CH 3 H N H CH 3 CH 3 N O N H N N IC50 = 0.4 nM 588.8 Cc1cc(C)cc(-c2[nH]c3ccc(C(C)(C)C(=O)N4C5CCC4CC5)cc3c2[C@H](C)CNCCc2c[nH]c3ncnc-3c2)c1 Homo sapiens CHEMBL685984 single protein format
CHEMBL379198 OBDepict CH 3 O O N O S N CH 3 N H O H 3 C IC50 = 0.4 nM 593.75 CCOC(=O)c1cn(Cc2ccccc2)c2sc(-c3ccc(NC(=O)CC)cc3)c(CN(C)Cc3ccccc3)c2c1=O Homo sapiens CHEMBL871108 cell-based format
CHEMBL86758 OBDepict H 3 C H 3 C N H H 3 C H NH H 3 C H 3 C N O N H 3 C O IC50 = 0.4 nM 596.86 Cc1cc(C)cc(-c2[nH]c3ccc(C(C)(C)C(=O)N4CC5CCC4CC5)cc3c2[C@H](C)CNCCC2CCC(=O)N(C)C2)c1 Homo sapiens CHEMBL685985 single protein format
CHEMBL339636 OBDepict O N H N N O N OH H N H CH 3 CH 3 CH 3 IC50 = 0.4 nM 483.57 Cc1cc(-c2c(O)nc3ccc(C(=O)Nc4ccncn4)cc3c2OCC[C@@H]2CCN2)cc(C)c1C Homo sapiens CHEMBL684239 single protein format
CHEMBL325091 OBDepict HO N N H H 3 C H N H H 3 C H 3 C N O CH 3 CH 3 IC50 = 0.4 nM 592.83 Cc1cc(C)cc(-c2[nH]c3ccc(C(C)(C)C(=O)N4CC5CCC4CC5)cc3c2[C@H](C)CNCCc2ccnc(CO)c2)c1 Homo sapiens CHEMBL685986 single protein format
CHEMBL315326 OBDepict H 3 C H 3 C N H CH 3 H HN CH 3 CH 3 N O H H N IC50 = 0.4 nM 576.83 Cc1cc(C)cc(-c2[nH]c3ccc(C(C)(C)C(=O)N4C[C@@H]5CC[C@H]4C5)cc3c2[C@H](C)CNCCCCc2ccncc2)c1 Homo sapiens CHEMBL685985 single protein format
CHEMBL168539 OBDepict H 3 C H 3 C N H H 3 C H N H H 3 C H 3 C N O N N H IC50 = 0.4 nM 587.81 Cc1cc(C)cc(-c2[nH]c3ccc(C(C)(C)C(=O)N4C5CCC4CC5)cc3c2[C@H](C)CNCCc2ccc3[nH]cnc3c2)c1 Homo sapiens CHEMBL685984 single protein format
CHEMBL210514 OBDepict CH 3 O N N H N H N O O H 3 C O N O O CH 3 H 3 C H 3 C Ki = 0.4 nM 565.67 COc1nc(NCCCN2CCOCC2)nc(OC)c1NC(=O)c1ccc(Oc2cc3c(cc2C)CCC3(C)C)o1 Homo sapiens CHEMBL871297 single protein format
CHEMBL120432 OBDepict O HN Cl N O N N H O H NH CH 3 H 3 C H 3 C Ki = 0.4 nM 518.02 Cc1cc(-c2c(OCC[C@@H]3CCN3)c3cc(C(=O)Nc4ccncn4)c(Cl)cc3[nH]c2=O)cc(C)c1C Homo sapiens CHEMBL874135 single protein format
CHEMBL71561 OBDepict O HN Cl N N N O OH H NH CH 3 CH 3 CH 3 IC50 = 0.44 nM 518.02 Cc1cc(-c2c(O)nc3cc(Cl)c(C(=O)Nc4ncccn4)cc3c2OCC[C@@H]2CCN2)cc(C)c1C Homo sapiens CHEMBL684347 single protein format
CHEMBL120432 OBDepict O HN Cl N O N N H O H NH CH 3 H 3 C H 3 C IC50 = 0.44 nM 518.02 Cc1cc(-c2c(OCC[C@@H]3CCN3)c3cc(C(=O)Nc4ccncn4)c(Cl)cc3[nH]c2=O)cc(C)c1C Homo sapiens CHEMBL684238 single protein format
CHEMBL192955 OBDepict CH 3 O Cl N O N O NH 2 H F F F F Ki = 0.45 nM 547.94 COc1cccc(-c2cn(Cc3c(F)cccc3C(F)(F)F)c(=O)n(C[C@H](N)c3ccccc3)c2=O)c1Cl Homo sapiens CHEMBL828277 single protein format
CHEMBL295948 OBDepict CH 3 H 3 C HO N O Cl H HN HN O H H 3 C N N IC50 = 0.5 nM 546.07 Cc1cc(C)cc(-c2c(O)nc3cc(Cl)c(C(=O)Nc4ccncn4)cc3c2OCC[C@@H]2CCC[C@H](C)N2)c1 Homo sapiens CHEMBL684407 single protein format
CHEMBL300295 OBDepict CH 3 H 3 C HO N O Cl H HN HN O H H 3 C N N IC50 = 0.5 nM 546.07 Cc1cc(C)cc(-c2c(O)nc3cc(Cl)c(C(=O)Nc4ccncn4)cc3c2OCC[C@@H]2CCC[C@@H](C)N2)c1 Homo sapiens CHEMBL684407 single protein format
CHEMBL468551 OBDepict CH 3 O F O N H 3 C N O H 2 N H F F F F Ki = 0.5 nM 545.51 COc1cccc(-c2c(C)n(Cc3c(F)cccc3C(F)(F)F)c(=O)n(C[C@H](N)c3ccccc3)c2=O)c1F Homo sapiens CHEMBL956658 single protein format
CHEMBL426780 OBDepict CH 3 O F O N H 3 C N O N H 3 C H CH 3 F F N Ki = 0.5 nM 538.57 COc1cccc(-c2c(C)n(Cc3c(F)cccc3F)c(=O)n(C[C@H](C)N(C)Cc3ccccn3)c2=O)c1F Homo sapiens CHEMBL827890 single protein format
CHEMBL433594 OBDepict HO N O Cl CH 3 H 3 C H 3 C HN O H NH N S N IC50 = 0.55 nM 552.1 Cc1cc(-c2c(O)nc3cc(Cl)c(C(=O)Nc4cnsn4)cc3c2OCC[C@@H]2CCCCN2)cc(C)c1C Homo sapiens CHEMBL831490 cell-based format
CHEMBL179691 OBDepict CH 3 O F O N H 3 C N O H 2 N H F F Ki = 0.56 nM 495.5 COc1cccc(-c2c(C)n(Cc3c(F)cccc3F)c(=O)n(C[C@H](N)c3ccccc3)c2=O)c1F Homo sapiens CHEMBL827890 single protein format
CHEMBL4159247 OBDepict CH 3 O F O N CH 3 N O HN H H 3 C F O OH IC50 = 0.58 nM 577.63 COc1cccc(-c2c(C)n(Cc3c(C)cccc3F)c(=O)n(C[C@H](NCCCC(=O)O)c3ccccc3)c2=O)c1F Homo sapiens CHEMBL4146975 cell-based format
CHEMBL314260 OBDepict H 3 C H 3 C N H H 3 C H NH H 3 C H 3 C N O N IC50 = 0.6 nM 562.8 Cc1cc(C)cc(-c2[nH]c3ccc(C(C)(C)C(=O)N4CC5CCC4CC5)cc3c2[C@H](C)CNCCc2ccncc2)c1 Homo sapiens CHEMBL685985 single protein format
CHEMBL185785 OBDepict O N H Cl N S N N O HO O O CH 3 H 3 C H 3 C IC50 = 0.6 nM 541.03 Cc1cc(-c2c(O)nc3cc(Cl)c(C(=O)Nc4cnsn4)cc3c2OCCC2OCCO2)cc(C)c1C Homo sapiens CHEMBL831490 cell-based format
CHEMBL421160 OBDepict H 3 C H 3 C N H H 3 C H NH H 3 C H 3 C N O N IC50 = 0.6 nM 562.8 Cc1cc(C)cc(-c2[nH]c3ccc(C(C)(C)C(=O)N4CC5CCC4CC5)cc3c2[C@H](C)CNCCc2cccnc2)c1 Homo sapiens CHEMBL685985 single protein format
CHEMBL184819 OBDepict O N H Cl N N O N OH O CH 3 CH 3 CH 3 IC50 = 0.6 nM 533.03 Cc1cc(-c2c(O)nc3cc(Cl)c(C(=O)Nc4ccncn4)cc3c2OCCC2CCCO2)cc(C)c1C Homo sapiens CHEMBL831490 cell-based format
CHEMBL185986 OBDepict HO N O Cl CH 3 H 3 C H 3 C N H O N N S N IC50 = 0.6 nM 578.14 Cc1cc(-c2c(O)nc3cc(Cl)c(C(=O)Nc4cnsn4)cc3c2OCCC2CC3CCN2CC3)cc(C)c1C Homo sapiens CHEMBL831490 cell-based format
CHEMBL170159 OBDepict H 3 C H 3 C N H CH 3 H N H CH 3 CH 3 N O N IC50 = 0.6 nM 598.84 Cc1cc(C)cc(-c2[nH]c3ccc(C(C)(C)C(=O)N4C5CCC4CC5)cc3c2[C@H](C)CNCCc2cccc3cnccc23)c1 Homo sapiens CHEMBL685984 single protein format
CHEMBL48879 OBDepict O N H Cl N N O N HO H HN H 3 C CH 3 H 3 C H H 3 C IC50 = 0.6 nM 560.1 Cc1cc(-c2c(O)nc3cc(Cl)c(C(=O)Nc4ccncn4)cc3c2OCC[C@@H]2CCC[C@H](C)N2)cc(C)c1C Homo sapiens CHEMBL684407 single protein format
CHEMBL170606 OBDepict H 3 C H 3 C N H H 3 C H N H H 3 C H 3 C N O N N N H IC50 = 0.6 nM 588.8 Cc1cc(C)cc(-c2[nH]c3ccc(C(C)(C)C(=O)N4C5CCC4CC5)cc3c2[C@H](C)CNCCc2ccc3[nH]nnc3c2)c1 Homo sapiens CHEMBL685984 single protein format
CHEMBL115703 OBDepict CH 3 O F CH 3 N O N O N H F F CH 3 CH 3 Ki = 0.6 nM 515.58 COc1cccc(-c2c(C)n(Cc3c(F)cccc3F)c(=O)n(C[C@@H](C3CCCC3)N(C)C)c2=O)c1F Homo sapiens CHEMBL685307 cell-based format
CHEMBL259906 OBDepict CH 3 O F O N H 3 C N O N H H 3 C H F F F F Ki = 0.61 nM 551.56 COc1cccc(-c2c(C)n(Cc3c(F)cccc3C(F)(F)F)c(=O)n(C[C@H](C)NC3CCCC3)c2=O)c1F Homo sapiens CHEMBL923765 single protein format
CHEMBL360143 OBDepict F O N H 3 C N O H 2 N H F Cl Ki = 0.61 nM 481.93 Cc1c(-c2ccccc2F)c(=O)n(C[C@H](N)c2ccccc2)c(=O)n1Cc1c(F)cccc1Cl Homo sapiens CHEMBL827890 single protein format
CHEMBL434936 OBDepict CH 3 O F N O N O NH 2 H F F F F Ki = 0.64 nM 531.48 COc1cccc(-c2cn(Cc3c(F)cccc3C(F)(F)F)c(=O)n(C[C@H](N)c3ccccc3)c2=O)c1F Homo sapiens CHEMBL828277 single protein format
CHEMBL75347 OBDepict OH O F F F F O N H 3 C N O H 2 N H F Cl Ki = 0.7 nM 595.95 Cc1c(-c2ccccc2F)c(=O)n(C[C@H](N)c2ccccc2)c(=O)n1Cc1c(F)cccc1Cl.O=C(O)C(F)(F)F Homo sapiens CHEMBL687592 cell-based format
CHEMBL408746 OBDepict H 3 C H 3 C N H CH 3 N H H 3 C CH 3 N O N N Ki = 0.7 nM 577.82 Cc1cc(C)cc(-c2[nH]c3ccc(C(C)(C)C(=O)N4C5CCC4CC5)cc3c2C(C)CNCCCCc2ccnnc2)c1 Homo sapiens CHEMBL921115 single protein format
CHEMBL48674 OBDepict O N H Cl N N O N HO H N H IC50 = 0.7 nM 544.06 O=C(Nc1ccncn1)c1cc2c(OCC[C@@H]3CCCCN3)c(-c3ccc4c(c3)CCC4)c(O)nc2cc1Cl Homo sapiens CHEMBL684240 single protein format
CHEMBL49230 OBDepict O N H Cl N N O N HO H HN CH 3 H 3 C IC50 = 0.7 nM 532.04 Cc1ccc(-c2c(O)nc3cc(Cl)c(C(=O)Nc4ccncn4)cc3c2OCC[C@@H]2CCCCN2)cc1C Homo sapiens CHEMBL684240 single protein format
CHEMBL321258 OBDepict N N N H H 3 C H N H H 3 C H 3 C N O CH 3 CH 3 IC50 = 0.7 nM 587.81 Cc1cc(C)cc(-c2[nH]c3ccc(C(C)(C)C(=O)N4CC5CCC4CC5)cc3c2[C@H](C)CNCCc2ccnc(C#N)c2)c1 Homo sapiens CHEMBL685986 single protein format
CHEMBL424991 OBDepict OH N O Cl CH 3 CH 3 CH 3 NH O N H O N S N IC50 = 0.7 nM 554.07 Cc1cc(-c2c(O)nc3cc(Cl)c(C(=O)Nc4cnsn4)cc3c2OCCC2COCCN2)cc(C)c1C Homo sapiens CHEMBL831490 cell-based format
CHEMBL327704 OBDepict H 3 C H 3 C N H H 3 C H N H H 3 C H 3 C N O N IC50 = 0.7 nM 576.83 Cc1cc(C)cc(-c2[nH]c3ccc(C(C)(C)C(=O)N4C5CCC4CC5)cc3c2[C@H](C)CNCCCCc2ccncc2)c1 Homo sapiens CHEMBL685984 single protein format
CHEMBL87099 OBDepict H 3 C CH 3 N H CH 3 H HN H 3 C H 3 C N O CH 3 CH 3 N IC50 = 0.7 nM 564.82 Cc1cc(C)cc(-c2[nH]c3ccc(C(C)(C)C(=O)N4CC(C)(C)C4)cc3c2[C@H](C)CNCCCCc2ccncc2)c1 Homo sapiens CHEMBL685985 single protein format
CHEMBL4170478 OBDepict CH 3 O F O N CH 3 N O NH 2 F F CH 3 F IC50 = 0.74 nM 527.52 COc1cccc(-c2c(C)n(Cc3c(F)cccc3F)c(=O)n(CC(N)c3cc(C)cc(F)c3)c2=O)c1F Homo sapiens CHEMBL4146975 cell-based format
CHEMBL87785 OBDepict H 3 C H 3 C N H CH 3 H N H CH 3 CH 3 N O N IC50 = 0.8 nM 548.78 Cc1cc(C)cc(-c2[nH]c3ccc(C(C)(C)C(=O)N4C5CCC4CC5)cc3c2[C@H](C)CNCCc2ccncc2)c1 Homo sapiens CHEMBL685985 single protein format
CHEMBL333614 OBDepict H 3 C H 3 C N H CH 3 H N H CH 3 CH 3 N O CH 3 N IC50 = 0.8 nM 576.83 Cc1cc(C)cc(-c2[nH]c3ccc(C(C)(C)C(=O)N4CC5CCC4CC5)cc3c2[C@H](C)CNCCc2ccncc2C)c1 Homo sapiens CHEMBL685986 single protein format
CHEMBL86805 OBDepict H 3 C H 3 C N H H 3 C H N H H 3 C H 3 C N O N IC50 = 0.8 nM 590.86 Cc1cc(C)cc(-c2[nH]c3ccc(C(C)(C)C(=O)N4C5CCCC4CC5)cc3c2[C@H](C)CNCCCCc2ccncc2)c1 Homo sapiens CHEMBL685985 single protein format
CHEMBL362544 OBDepict O N H Cl N N O N OH H N H CH 3 CH 3 CH 3 IC50 = 0.8 nM 532.04 Cc1cc(-c2c(O)nc3cc(Cl)c(C(=O)Nc4ccncn4)cc3c2OCC[C@@H]2CCCN2)cc(C)c1C Homo sapiens CHEMBL831490 cell-based format
CHEMBL112378 OBDepict H 3 C H 3 C N H CH 3 H HN CH 3 CH 3 N O CH 3 + N _ O IC50 = 0.8 nM 592.83 Cc1cc(C)cc(-c2[nH]c3ccc(C(C)(C)C(=O)N4CC5CCC4CC5)cc3c2[C@H](C)CNCCc2cc[n+]([O-])cc2C)c1 Homo sapiens CHEMBL685986 single protein format
CHEMBL364914 OBDepict CH 3 O F N O N O NH 2 H F S O O CH 3 Ki = 0.9 nM 541.58 COc1cccc(-c2cn(Cc3c(F)cccc3S(C)(=O)=O)c(=O)n(C[C@H](N)c3ccccc3)c2=O)c1F Homo sapiens CHEMBL828277 single protein format
CHEMBL363663 OBDepict O HN Cl N S N N O OH H O CH 3 CH 3 CH 3 IC50 = 0.9 nM 525.03 Cc1cc(-c2c(O)nc3cc(Cl)c(C(=O)Nc4cnsn4)cc3c2OCC[C@H]2CCO2)cc(C)c1C Homo sapiens CHEMBL831490 cell-based format
CHEMBL52278 OBDepict CH 3 H 3 C HO N O Cl H HN HN O N N IC50 = 0.9 nM 532.04 Cc1cc(C)cc(-c2c(O)nc3cc(Cl)c(C(=O)Nc4ccncn4)cc3c2OCC[C@@H]2CCCCN2)c1 Homo sapiens CHEMBL684407 single protein format
CHEMBL114438 OBDepict H 3 C H 3 C N H H 3 C H NH H 3 C H 3 C N O N H 3 C IC50 = 0.9 nM 576.83 Cc1cc(C)cc(-c2[nH]c3ccc(C(C)(C)C(=O)N4CC5CCC4CC5)cc3c2[C@H](C)CNCCc2ccnc(C)c2)c1 Homo sapiens CHEMBL685986 single protein format
CHEMBL45883 OBDepict CH 3 H 3 C HO N O Cl HN HN O N N IC50 = 0.9 nM 532.04 Cc1cc(C)cc(-c2c(O)nc3cc(Cl)c(C(=O)Nc4cnccn4)cc3c2OCCC2CCCCN2)c1 Homo sapiens CHEMBL684240 single protein format
CHEMBL192912 OBDepict CH 3 O Cl N O N O NH 2 H F F Ki = 1.0 nM 497.93 COc1cccc(-c2cn(Cc3c(F)cccc3F)c(=O)n(C[C@H](N)c3ccccc3)c2=O)c1Cl Homo sapiens CHEMBL828277 single protein format
CHEMBL411526 OBDepict CH 3 HN NH N N O O CH 3 N H CH 3 O O CH 3 H 3 C H 3 C O CH 3 H 3 C Ki = 1.0 nM 523.63 CNCCNc1nc(OC)c(NC(=O)c2ccc(Cc3cc4c(cc3C)C(C)(C)OC4(C)C)o2)c(OC)n1 Homo sapiens CHEMBL921115 single protein format
CHEMBL314860 OBDepict H 3 C O N N H CH 3 H N H CH 3 CH 3 N O H 3 C CH 3 IC50 = 1.0 nM 592.83 COc1ccc(CCNC[C@@H](C)c2c(-c3cc(C)cc(C)c3)[nH]c3ccc(C(C)(C)C(=O)N4CC5CCC4CC5)cc23)cn1 Homo sapiens CHEMBL685985 single protein format
CHEMBL265288 OBDepict H 3 C H 3 C N H CH 3 H N H CH 3 CH 3 N O N IC50 = 1.0 nM 590.86 Cc1cc(C)cc(-c2[nH]c3ccc(C(C)(C)C(=O)N4CC5CCC4CC5)cc3c2[C@H](C)CNCCCCc2ccncc2)c1 Homo sapiens CHEMBL685985 single protein format
CHEMBL45784 OBDepict O HN Cl N N O N HO H HN Cl Cl IC50 = 1.0 nM 572.88 O=C(Nc1ccncn1)c1cc2c(OCC[C@@H]3CCCCN3)c(-c3ccc(Cl)c(Cl)c3)c(O)nc2cc1Cl Homo sapiens CHEMBL684240 single protein format
CHEMBL315325 OBDepict H 3 C H 3 C N H CH 3 H HN CH 3 CH 3 N O H H N IC50 = 1.0 nM 576.83 Cc1cc(C)cc(-c2[nH]c3ccc(C(C)(C)C(=O)N4C[C@H]5CC[C@@H]4C5)cc3c2[C@H](C)CNCCCCc2ccncc2)c1 Homo sapiens CHEMBL685985 single protein format
CHEMBL23969 OBDepict CH 3 O F O N CH 3 N O N H CH 3 H F F N Ki = 1.1 nM 524.54 COc1cccc(-c2c(C)n(Cc3c(F)cccc3F)c(=O)n(C[C@@H](C)NCc3ccccn3)c2=O)c1F Homo sapiens CHEMBL689131 cell-based format
CHEMBL502341 OBDepict CH 3 O F O N CH 3 N O HN H F Cl O OH Ki = 1.1 nM 598.05 COc1cccc(-c2c(C)n(Cc3c(F)cccc3Cl)c(=O)n(C[C@H](NCCCC(=O)O)c3ccccc3)c2=O)c1F Homo sapiens CHEMBL1008930 cell-based format
CHEMBL46177 OBDepict Cl Cl HO N O Cl H N H N H O N N IC50 = 1.1 nM 572.88 O=C(Nc1ccncn1)c1cc2c(OCC[C@@H]3CCCCN3)c(-c3cc(Cl)cc(Cl)c3)c(O)nc2cc1Cl Homo sapiens CHEMBL684240 single protein format
CHEMBL416651 OBDepict O N H HN N Cl N N O HO H HN H 3 C CH 3 IC50 = 1.1 nM 547.06 Cc1cc(C)cc(-c2c(O)nc3cc(Cl)c(NC(=O)Nc4cnccn4)cc3c2OCC[C@@H]2CCCCN2)c1 Homo sapiens CHEMBL684240 single protein format
CHEMBL189164 OBDepict Cl N O N O H 2 N H F F F F Ki = 1.2 nM 517.91 N[C@@H](Cn1c(=O)c(-c2ccccc2Cl)cn(Cc2c(F)cccc2C(F)(F)F)c1=O)c1ccccc1 Homo sapiens CHEMBL828277 single protein format
CHEMBL116071 OBDepict CH 3 O F CH 3 N O N O N H H F F H 3 C CH 3 H 3 C Ki = 1.2 nM 489.54 CN[C@H](CC(C)C)Cn1c(=O)c(-c2cccc(OC)c2F)c(C)n(Cc2c(F)cccc2F)c1=O Homo sapiens CHEMBL685307 cell-based format
CHEMBL316362 OBDepict H 3 C H 3 C N H CH 3 H HN CH 3 CH 3 N O H H N IC50 = 1.2 nM 548.78 Cc1cc(C)cc(-c2[nH]c3ccc(C(C)(C)C(=O)N4C[C@H]5CC[C@@H]4C5)cc3c2[C@H](C)CNCCc2ccncc2)c1 Homo sapiens CHEMBL685985 single protein format
CHEMBL4167067 OBDepict H 3 C O F O N H 3 C N O H 2 N F F Cl Cl IC50 = 1.21 nM 564.39 COc1cccc(-c2c(C)n(Cc3c(F)cccc3F)c(=O)n(CC(N)c3cc(Cl)cc(Cl)c3)c2=O)c1F Homo sapiens CHEMBL4146975 cell-based format
CHEMBL371613 OBDepict Cl N O N O NH 2 H F S O O CH 3 Ki = 1.3 nM 528.01 CS(=O)(=O)c1cccc(F)c1Cn1cc(-c2ccccc2Cl)c(=O)n(C[C@H](N)c2ccccc2)c1=O Homo sapiens CHEMBL828277 single protein format
CHEMBL313946 OBDepict H 3 C CH 3 N H H 3 C H N H H 3 C CH 3 N O CH 3 H 3 C N IC50 = 1.3 nM 592.87 Cc1cc(C)cc(-c2[nH]c3ccc(C(C)(C)C(=O)N4CCC(C)(C)CC4)cc3c2[C@H](C)CNCCCCc2ccncc2)c1 Homo sapiens CHEMBL685985 single protein format
CHEMBL192171 OBDepict CH 3 O F N O N O NH 2 H F Cl Ki = 1.4 nM 497.93 COc1cccc(-c2cn(Cc3c(F)cccc3Cl)c(=O)n(C[C@H](N)c3ccccc3)c2=O)c1F Homo sapiens CHEMBL828277 single protein format
CHEMBL48616 OBDepict H 3 C H 3 C N H N H CH 3 CH 3 N O N IC50 = 1.4 nM 562.8 Cc1cc(C)cc(-c2[nH]c3ccc(C(C)(C)C(=O)N4C5CCC4CC5)cc3c2CCNCCCCc2ccncc2)c1 Homo sapiens CHEMBL685985 single protein format
CHEMBL185738 OBDepict O N CH 3 H O OH N CH 3 CH 3 N H O Cl CH 3 N S N IC50 = 1.4 nM 566.08 Cc1cc(-c2c(O)nc3cc(Cl)c(C(=O)Nc4cnsn4)cc3c2OCC[C@H]2CCC(=O)N2C)cc(C)c1C Homo sapiens CHEMBL831490 cell-based format
CHEMBL460480 OBDepict CH 3 N O N H N O N N N H H 3 C H 3 C CH 3 IC50 = 1.7 nM 486.62 CCn1cc(CN2CCN(c3cccc4[nH]c(-c5ccc(C(C)(C)C)cc5)nc34)CC2)c(=O)[nH]c1=O Homo sapiens CHEMBL954319 single protein format
CHEMBL190929 OBDepict H 3 C O F N O N O H 2 N H F F F F Ki = 1.8 nM 545.51 CCOc1cccc(-c2cn(Cc3c(F)cccc3C(F)(F)F)c(=O)n(C[C@H](N)c3ccccc3)c2=O)c1F Homo sapiens CHEMBL828277 single protein format
CHEMBL180076 OBDepict CH 3 O F O N CH 3 N O HN H CH 3 F F Ki = 1.8 nM 509.53 CN[C@@H](Cn1c(=O)c(-c2cccc(OC)c2F)c(C)n(Cc2c(F)cccc2F)c1=O)c1ccccc1 Homo sapiens CHEMBL827890 single protein format
CHEMBL473807 OBDepict H N N N CH 3 CH 3 H 3 C N N N N H H O O IC50 = 1.8 nM 509.61 CC(C)(C)c1ccc(-c2nc3c(N4CCN(Cc5cnc6[nH]c(=O)c(=O)[nH]c6c5)CC4)cccc3[nH]2)cc1 Homo sapiens CHEMBL1010963 single protein format
CHEMBL47895 OBDepict O N H HN N Cl N N O HO H HN H 3 C CH 3 IC50 = 1.8 nM 547.06 Cc1cc(C)cc(-c2c(O)nc3cc(Cl)c(NC(=O)Nc4ccncn4)cc3c2OCC[C@@H]2CCCCN2)c1 Homo sapiens CHEMBL684240 single protein format
CHEMBL295641 OBDepict CH 3 N O N H N H CH 3 CH 3 N IC50 = 1.9 nM 578.85 CCN(C(=O)c1ccc2[nH]c(-c3cc(C)cc(C)c3)c(CCNCCCCc3ccncc3)c2c1)C1CCCCCCC1 Homo sapiens CHEMBL684348 single protein format
CHEMBL363759 OBDepict Cl S O N H 3 C N O H 2 N H F F Ki = 2.0 nM 487.96 Cc1c(-c2ccc(Cl)s2)c(=O)n(C[C@H](N)c2ccccc2)c(=O)n1Cc1c(F)cccc1F Homo sapiens CHEMBL829039 cell-based format
CHEMBL368511 OBDepict CH 3 O F N O N O N O H 2 N H F Br Ki = 2.0 nM 559.37 COc1cccc(-n2c(=O)n(Cc3c(F)cccc3Br)c(=O)n(C[C@H](N)c3ccccc3)c2=O)c1F Homo sapiens CHEMBL829791 cell-based format
CHEMBL46312 OBDepict CH 3 CH 3 OH N O N H Cl H NH O N N IC50 = 2.0 nM 532.04 Cc1cc(C)cc(-c2c(O)nc3cc(Cl)c(NC(=O)c4cnccn4)cc3c2OCC[C@@H]2CCCCN2)c1 Homo sapiens CHEMBL684240 single protein format
CHEMBL211098 OBDepict CH 3 O O N O S N CH 3 N H O H 3 C IC50 = 2.0 nM 579.72 CCOC(=O)c1cn(Cc2ccccc2)c2sc(-c3ccc(NC(C)=O)cc3)c(CN(C)Cc3ccccc3)c2c1=O Homo sapiens CHEMBL871108 cell-based format
CHEMBL506877 OBDepict CH 3 O F O N CH 3 N O HN H F F O OH Ki = 2.1 nM 581.59 COc1cccc(-c2c(C)n(Cc3c(F)cccc3F)c(=O)n(C[C@H](NCCCC(=O)O)c3ccccc3)c2=O)c1F Homo sapiens CHEMBL1008930 cell-based format
CHEMBL359894 OBDepict CH 3 O O N H 3 C N O H 2 N H F F Ki = 2.3 nM 477.51 COc1cccc(-c2c(C)n(Cc3c(F)cccc3F)c(=O)n(C[C@H](N)c3ccccc3)c2=O)c1 Homo sapiens CHEMBL827890 single protein format
CHEMBL539167 OBDepict CH 3 O Cl N N O N O NH 2 H F F F F Ki = 2.3 nM 548.92 COc1cccc(-c2nn(Cc3c(F)cccc3C(F)(F)F)c(=O)n(C[C@H](N)c3ccccc3)c2=O)c1Cl Homo sapiens CHEMBL956658 single protein format
CHEMBL2113012 OBDepict CH 3 O N N O N O H 2 N H F F Ki = 2.3 nM 466.49 COc1cccc(N2CN(Cc3c(F)cccc3F)C(=O)N(C[C@H](N)c3ccccc3)C2=O)c1 Homo sapiens CHEMBL839629 cell-based format
CHEMBL4163619 OBDepict CH 3 O F CH 3 N O N O NH 2 H F F O IC50 = 2.3 nM 485.46 COc1cccc(-c2c(C)n(Cc3c(F)cccc3F)c(=O)n(C[C@H](N)c3ccco3)c2=O)c1F Homo sapiens CHEMBL4146975 cell-based format
CHEMBL297269 OBDepict O HN N H Cl N O OH H NH CH 3 CH 3 IC50 = 2.3 nM 509.05 Cc1cc(C)cc(-c2c(O)nc3cc(Cl)c(NC(=O)NC4CC4)cc3c2OCC[C@@H]2CCCCN2)c1 Homo sapiens CHEMBL684240 single protein format