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Q92847 | GHSR_HUMAN | Growth hormone secretagogue receptor type 1 (GHSR)

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
CHEMBL1956994 OBDepict Br F O N N O N CH 3 H N H 3 C CH 3 Ki = 0.01 nM 489.39 Cc1nc2ccc(Oc3ccc(Br)cc3F)nc2c(=O)n1C[C@H]1CCCN(C(C)C)C1 Homo sapiens CHEMBL1958783 assay format
CHEMBL1956993 OBDepict CH 3 N CH 3 H N CH 3 N O N O S N Ki = 0.01 nM 449.58 Cc1nc2ccc(Oc3ccc4ncsc4c3)nc2c(=O)n1C[C@H]1CCCN(C(C)C)C1 Homo sapiens CHEMBL1958783 assay format
CHEMBL178475 OBDepict H 3 C N H 3 C N O OH O NH 2 F F F Cl Cl IC50 = 0.02 nM 504.34 CCN(CC)CCN1C(=O)[C@@](O)(c2ccc(Cl)cc2Cl)c2c1cc(C(N)=O)cc2C(F)(F)F Homo sapiens CHEMBL831432 assay format
CHEMBL1957010 OBDepict Br F O N N N O N CH 3 H N H 3 C CH 3 Ki = 0.05 nM 490.38 Cc1nc2ncc(Oc3ccc(Br)cc3F)nc2c(=O)n1C[C@H]1CCCN(C(C)C)C1 Homo sapiens CHEMBL1958783 assay format
CHEMBL3319217 OBDepict CH 3 Cl NH O NH O N S S O O N N CH 3 IC50 = 0.078 nM 564.13 CCc1ccc(Cl)c(C(=O)NC(=O)Nc2nc3ccc(S(=O)(=O)CCCN4CCN(C)CC4)cc3s2)c1 Homo sapiens CHEMBL3373238 cell-based format
CHEMBL3915269 OBDepict CH 3 CH 3 H N H O NH O O NH H O N H Cl Ki = 0.1 nM 581.16 CC(C)C[C@@H]1NCCOc2ccccc2/C=CCNC(=O)[C@H](Cc2ccccc2Cl)NC(=O)C2(CCCC2)NC1=O Homo sapiens CHEMBL3880198 cell-based format
CHEMBL3969367 OBDepict O HN H HN O H H 3 C N CH 3 O O H NH H 3 C CH 3 Ki = 0.1 nM 506.65 CC(C)[C@@H]1NCCOc2ccccc2/C=CCNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](C)N(C)C1=O Homo sapiens CHEMBL3880198 cell-based format
CHEMBL3893048 OBDepict H 3 C H 3 C H H NH O N CH 3 O H H 3 C O HN H O HN O CH 3 Ki = 0.1 nM 552.72 CC[C@H](C)[C@@H]1NCCOc2ccccc2CCCNC(=O)[C@@H](Cc2ccc(OC)cc2)NC(=O)[C@@H](C)N(C)C1=O Homo sapiens CHEMBL3880198 cell-based format
CHEMBL3903118 OBDepict Cl Cl H NH O NH O H CH 3 N CH 3 O H HN O Ki = 0.1 nM 575.54 C[C@@H]1C(=O)N[C@H](Cc2ccc(Cl)c(Cl)c2)C(=O)NCCCc2ccccc2OCCN[C@@H](C2CC2)C(=O)N1C Homo sapiens CHEMBL3880198 cell-based format
CHEMBL3905791 OBDepict Cl Cl H HN O HN O H H 3 C N CH 3 O H NH O Ki = 0.1 nM 575.54 C[C@@H]1C(=O)N[C@H](Cc2ccc(Cl)cc2Cl)C(=O)NCCCc2ccccc2OCCN[C@@H](C2CC2)C(=O)N1C Homo sapiens CHEMBL3880198 cell-based format
CHEMBL3907891 OBDepict H 3 C CH 3 H H N H O HN H CH 3 O O HN H O N H Cl Ki = 0.1 nM 597.2 CC[C@H](C)[C@@H]1NC[C@@H](C)Oc2ccccc2CCCNC(=O)[C@H](Cc2cccc(Cl)c2)NC(=O)C2(CCCC2)NC1=O Homo sapiens CHEMBL3880198 cell-based format
CHEMBL3907497 OBDepict CH 3 H 3 C H H NH O N H 3 C O H H 3 C O HN H O HN Ki = 0.1 nM 572.75 CC[C@H](C)[C@@H]1NCCOc2ccccc2CCCNC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@@H](C)N(C)C1=O Homo sapiens CHEMBL3880198 cell-based format
CHEMBL3920049 OBDepict Cl H HN O HN O H H 3 C N CH 3 O H NH O Ki = 0.1 nM 541.09 C[C@@H]1C(=O)N[C@H](Cc2ccc(Cl)cc2)C(=O)NCCCc2ccccc2OCCN[C@@H](C2CC2)C(=O)N1C Homo sapiens CHEMBL3880198 cell-based format
CHEMBL3922056 OBDepict H 3 C CH 3 H N H O N H O O NH H H O N H H Cl Ki = 0.1 nM 595.18 CCC(C)[C@H]1NCCOc2ccccc2[C@H]2C[C@@H]2CNC(=O)[C@H](Cc2cccc(Cl)c2)NC(=O)C2(CCCC2)NC1=O Homo sapiens CHEMBL3880198 cell-based format
CHEMBL3955437 OBDepict CH 3 CH 3 HN O N H H CH 3 O O NH O NH Cl Ki = 0.1 nM 597.2 CCC(C)C1NC[C@H](C)Oc2ccccc2CCCNC(=O)C(Cc2cccc(Cl)c2)NC(=O)C2(CCCC2)NC1=O Homo sapiens CHEMBL3880198 cell-based format
CHEMBL1957001 OBDepict CH 3 N CH 3 H N CH 3 N O N O S N Ki = 0.1 nM 449.58 Cc1nc2cnc(Oc3ccc4ncsc4c3)cc2c(=O)n1C[C@H]1CCCN(C(C)C)C1 Homo sapiens CHEMBL1958783 assay format
CHEMBL3918009 OBDepict Br H HN O HN O H H 3 C N CH 3 O H NH O Ki = 0.1 nM 585.54 C[C@@H]1C(=O)N[C@H](Cc2ccc(Br)cc2)C(=O)NCCCc2ccccc2OCCN[C@@H](C2CC2)C(=O)N1C Homo sapiens CHEMBL3880198 cell-based format
CHEMBL3940705 OBDepict F F F F F H HN O HN O H H 3 C N CH 3 O H NH O Ki = 0.1 nM 596.6 C[C@@H]1C(=O)N[C@H](Cc2c(F)c(F)c(F)c(F)c2F)C(=O)NCCCc2ccccc2OCCN[C@@H](C2CC2)C(=O)N1C Homo sapiens CHEMBL3880198 cell-based format
CHEMBL3939872 OBDepict O NH H NH O H CH 3 N CH 3 O O H HN CH 3 CH 3 H 3 C Ki = 0.1 nM 522.69 C[C@@H]1C(=O)N[C@H](Cc2ccccc2)C(=O)NCCCc2ccccc2OCCN[C@@H](C(C)(C)C)C(=O)N1C Homo sapiens CHEMBL3880198 cell-based format
CHEMBL3910300 OBDepict CH 3 H 3 C H H NH O N H 3 C O H H 3 C O HN H O HN Ki = 0.1 nM 572.75 CC[C@H](C)[C@@H]1NCCOc2ccccc2CCCNC(=O)[C@@H](Cc2cccc3ccccc23)NC(=O)[C@@H](C)N(C)C1=O Homo sapiens CHEMBL3880198 cell-based format
CHEMBL3913855 OBDepict CH 3 CH 3 H H HN O N CH 3 O H CH 3 O NH H O NH Ki = 0.1 nM 520.67 CC[C@H](C)[C@@H]1NCCOc2ccccc2/C=CCNC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](C)N(C)C1=O Homo sapiens CHEMBL3880198 cell-based format
CHEMBL3929593 OBDepict F H HN O HN O H H 3 C N CH 3 O H NH O Ki = 0.1 nM 522.62 C[C@@H]1C(=O)N[C@H](Cc2ccc(F)cc2)C(=O)NC/C=C/c2ccccc2OCCN[C@@H](C2CC2)C(=O)N1C Homo sapiens CHEMBL3880198 cell-based format
CHEMBL3955179 OBDepict Cl H NH O NH O N H O HN O Ki = 0.1 nM 579.14 O=C1NC/C=Cc2ccccc2OCCNC2(CCCC2)C(=O)NC2(CCCC2)C(=O)N[C@H]1Cc1cccc(Cl)c1 Homo sapiens CHEMBL3880198 cell-based format
CHEMBL3961108 OBDepict CH 3 H HN O N CH 3 O H CH 3 O NH H O NH Ki = 0.1 nM 506.65 CCC[C@@H]1NCCOc2ccccc2/C=CCNC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](C)N(C)C1=O Homo sapiens CHEMBL3880198 cell-based format
CHEMBL3934367 OBDepict Cl H HN O HN O H H 3 C N CH 3 O H NH O Ki = 0.1 nM 539.08 C[C@@H]1C(=O)N[C@H](Cc2ccc(Cl)cc2)C(=O)NC/C=Cc2ccccc2OCCN[C@@H](C2CC2)C(=O)N1C Homo sapiens CHEMBL3880198 cell-based format
CHEMBL3895776 OBDepict H 3 C H 3 C H H NH O N CH 3 O H H 3 C O HN H O HN F Ki = 0.1 nM 540.68 CC[C@H](C)[C@@H]1NCCOc2ccccc2CCCNC(=O)[C@@H](Cc2ccc(F)cc2)NC(=O)[C@@H](C)N(C)C1=O Homo sapiens CHEMBL3880198 cell-based format
CHEMBL3914259 OBDepict H 3 C CH 3 H H N H O HN H CH 3 O O HN H O N H Cl Ki = 0.1 nM 597.2 CC[C@H](C)[C@@H]1NC[C@H](C)Oc2ccccc2CCCNC(=O)[C@H](Cc2cccc(Cl)c2)NC(=O)C2(CCCC2)NC1=O Homo sapiens CHEMBL3880198 cell-based format
CHEMBL3959816 OBDepict H 3 C H 3 C H H NH O N CH 3 O H H 3 C O HN H O HN Cl Ki = 0.1 nM 557.14 CC[C@H](C)[C@@H]1NCCOc2ccccc2CCCNC(=O)[C@@H](Cc2cccc(Cl)c2)NC(=O)[C@@H](C)N(C)C1=O Homo sapiens CHEMBL3880198 cell-based format
CHEMBL3898794 OBDepict H 3 C H 3 C H H NH O N CH 3 O H H 3 C O HN H O HN Cl Ki = 0.1 nM 557.14 CC[C@H](C)[C@@H]1NCCOc2ccccc2CCCNC(=O)[C@@H](Cc2ccccc2Cl)NC(=O)[C@@H](C)N(C)C1=O Homo sapiens CHEMBL3880198 cell-based format
CHEMBL3984338 OBDepict F F F H NH O NH O H CH 3 N CH 3 O H HN O Ki = 0.1 nM 560.62 C[C@@H]1C(=O)N[C@H](Cc2cc(F)c(F)c(F)c2)C(=O)NCCCc2ccccc2OCCN[C@@H](C2CC2)C(=O)N1C Homo sapiens CHEMBL3880198 cell-based format
CHEMBL3918046 OBDepict CH 3 CH 3 H N H O NH O O NH H O N H Cl Ki = 0.1 nM 581.16 CC(C)C[C@@H]1NCCOc2ccccc2/C=CCNC(=O)[C@H](Cc2cccc(Cl)c2)NC(=O)C2(CCCC2)NC1=O Homo sapiens CHEMBL3880198 cell-based format
CHEMBL3218645 OBDepict Cl N O N H H 3 C N CH 3 CH 3 IC50 = 0.12 nM 486.06 Cc1ccccc1-c1nc2ccc(-c3ccc(Cl)cc3)cc2c(=O)n1C[C@H]1CCCN(C(C)C)C1 Homo sapiens CHEMBL3227232 cell-based format
CHEMBL1956990 OBDepict Br F O N N O N CH 3 H N H 3 C CH 3 Ki = 0.16 nM 489.39 Cc1nc2ncc(Oc3ccc(Br)cc3F)cc2c(=O)n1C[C@H]1CCCN(C(C)C)C1 Homo sapiens CHEMBL1958783 assay format
CHEMBL1956991 OBDepict Cl F O N N O N CH 3 H N H 3 C CH 3 Ki = 0.2 nM 444.94 Cc1nc2ccc(Oc3ccc(Cl)cc3F)nc2c(=O)n1C[C@H]1CCCN(C(C)C)C1 Homo sapiens CHEMBL1958783 assay format
CHEMBL1956999 OBDepict Cl F O N N O N CH 3 H N H 3 C CH 3 Ki = 0.2 nM 444.94 Cc1nc2cnc(Oc3ccc(Cl)cc3F)cc2c(=O)n1C[C@H]1CCCN(C(C)C)C1 Homo sapiens CHEMBL1958783 assay format
CHEMBL383522 OBDepict H 2 N N N NH 2 O NH + N O _ O IC50 = 0.2 nM 456.51 Nc1nc(N)c(-c2ccc(NCc3ccc([N+](=O)[O-])cc3)cc2)c(COCc2ccccc2)n1 Homo sapiens CHEMBL861405 cell-based format
CHEMBL3586033 OBDepict H 3 C N CH 3 H H N N H N H O H O O O IC50 = 0.23 nM 566.7 CC(C)N1[C@@H]2C=C(c3cnc(NCc4ccc5c(c4)OCC5)c(C(=O)NC[C@H]4COc5ccccc5O4)c3)C[C@H]1CC2 Homo sapiens CHEMBL3588724 single protein format
CHEMBL13817 OBDepict O N N H H O O H 2 N CH 3 CH 3 N S O O CH 3 Ki = 0.24 nM 528.68 CC(C)(N)C(=O)N[C@H](COCc1ccccc1)C(=O)N1CCC2(CC1)CN(S(C)(=O)=O)c1ccccc12 Homo sapiens CHEMBL685177 single protein format
CHEMBL180349 OBDepict H 3 C N H 3 C N O OH O NH 2 F F F Cl Cl IC50 = 0.24 nM 504.34 CCN(CC)CCN1C(=O)[C@@](O)(c2cc(Cl)ccc2Cl)c2c1cc(C(N)=O)cc2C(F)(F)F Homo sapiens CHEMBL831432 assay format
CHEMBL1957007 OBDepict CH 3 N CH 3 H N CH 3 N O N N O S N Ki = 0.26 nM 450.57 Cc1nc2ncc(Oc3ccc4ncsc4c3)nc2c(=O)n1C[C@H]1CCCN(C(C)C)C1 Homo sapiens CHEMBL1958783 assay format
CHEMBL1957009 OBDepict H 3 C N CH 3 H N H 3 C N O N N O Ki = 0.27 nM 469.59 Cc1nc2ncc(Oc3ccc(-c4ccccc4)cc3)nc2c(=O)n1C[C@H]1CCCN(C(C)C)C1 Homo sapiens CHEMBL1958783 assay format
CHEMBL3218647 OBDepict Cl N N N O N H 3 C N CH 3 CH 3 IC50 = 0.28 nM 476.02 Cc1ccccc1-c1nc2cn(-c3ccc(Cl)cc3)nc2c(=O)n1CC1CCCN(C(C)C)C1 Homo sapiens CHEMBL3227232 cell-based format
CHEMBL1957000 OBDepict CH 3 N H 3 C H N H 3 C N O N O O O Ki = 0.3 nM 436.51 Cc1nc2cnc(Oc3ccc4c(c3)OCO4)cc2c(=O)n1C[C@H]1CCCN(C(C)C)C1 Homo sapiens CHEMBL1958783 assay format
CHEMBL3593636 OBDepict CH 3 O Cl HN O HN N H H N O O H 3 C O IC50 = 0.3 nM 589.09 COc1ccc(CNC(=O)c2cc(C3=C[C@@H]4CC[C@H](C3)N(C(C)=O)C4)cnc2NCc2ccc3c(c2)OCO3)cc1Cl Homo sapiens CHEMBL3595016 cell-based format
CHEMBL425594 OBDepict H 2 N N N NH 2 O N H S O O CH 3 IC50 = 0.3 nM 489.6 CS(=O)(=O)c1ccc(CNc2ccc(-c3c(N)nc(N)nc3COCc3ccccc3)cc2)cc1 Homo sapiens CHEMBL861405 cell-based format
CHEMBL3319220 OBDepict H 3 C O Cl N H O N H O N S S O O N N H 3 C IC50 = 0.31 nM 580.13 CCOc1ccc(Cl)c(C(=O)NC(=O)Nc2nc3ccc(S(=O)(=O)CCCN4CCN(C)CC4)cc3s2)c1 Homo sapiens CHEMBL3373238 cell-based format
CHEMBL3319219 OBDepict CH 3 N N S O O S N HN N H O O Cl IC50 = 0.33 nM 576.14 CN1CCN(CCCS(=O)(=O)c2ccc3nc(NC(=O)NC(=O)c4cc(C5CC5)ccc4Cl)sc3c2)CC1 Homo sapiens CHEMBL3373238 cell-based format
CHEMBL331801 OBDepict O N HN H O O H 2 N CH 3 CH 3 N O N CH 3 H 3 C CH 3 F F Ki = 0.34 nM 583.68 CC(C)(N)C(=O)N[C@H](COCc1ccc(F)c(F)c1)C(=O)N1CCC2=NN(C(C)(C)C)C(=O)C2(Cc2ccccc2)C1 Homo sapiens CHEMBL696853 single protein format
CHEMBL1923617 OBDepict H 3 C H 3 C H H NH O N CH 3 O H H 3 C O HN H O HN Cl Ki = 0.35 nM 557.14 CC[C@H](C)[C@@H]1NCCOc2ccccc2CCCNC(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@@H](C)N(C)C1=O Homo sapiens CHEMBL1925646 single protein format
CHEMBL1923629 OBDepict F H N H O NH O H H 3 C N H 3 C O H HN O H H 3 C Ki = 0.38 nM 580.75 C[C@@H]1CN[C@@H](C2CCCCC2)C(=O)N(C)[C@H](C)C(=O)N[C@H](Cc2ccc(F)cc2)C(=O)NCCCc2ccccc2O1 Homo sapiens CHEMBL1925646 single protein format
CHEMBL3593632 OBDepict CH 3 N O H H N HN HN O H O O O IC50 = 0.39 nM 580.69 CC(=O)N1C[C@@H]2C=C(c3cnc(NCc4ccc5c(c4)OCC5)c(C(=O)NC[C@H]4COc5ccccc5O4)c3)C[C@H]1CC2 Homo sapiens CHEMBL3595016 cell-based format
CHEMBL377514 OBDepict O N H N NH 2 N H 2 N H 3 C CH 3 N H S O O CH 3 IC50 = 0.4 nM 558.71 Cc1cc(C)cc(CNC(=O)CCc2nc(N)nc(N)c2-c2ccc(NCc3ccc(S(C)(=O)=O)cc3)cc2)c1 Homo sapiens CHEMBL870659 single protein format
CHEMBL3319407 OBDepict N N Cl HN O HN O N S S O O N CH 3 IC50 = 0.4 nM 587.13 CN1CCC(S(=O)(=O)c2ccc3nc(NC(=O)NC(=O)c4cc(N5CCCC5)c(C#N)cc4Cl)sc3c2)CC1 Homo sapiens CHEMBL3373238 cell-based format
CHEMBL208424 OBDepict CH 3 CH 3 O N NH 2 N H 2 N N H S O O CH 3 IC50 = 0.4 nM 467.6 CC(C)=CCOCc1nc(N)nc(N)c1-c1ccc(NCc2ccc(S(C)(=O)=O)cc2)cc1 Homo sapiens CHEMBL870659 single protein format
CHEMBL1956997 OBDepict H 3 C N CH 3 H N H 3 C N O N O Ki = 0.4 nM 468.6 Cc1nc2ccc(Oc3ccc(-c4ccccc4)cc3)nc2c(=O)n1C[C@H]1CCCN(C(C)C)C1 Homo sapiens CHEMBL1958783 assay format
CHEMBL3593635 OBDepict CH 3 O Cl HN O HN N H H N O O H 3 C IC50 = 0.42 nM 587.12 COc1ccc(CNC(=O)c2cc(C3=C[C@@H]4CC[C@H](C3)N(C(C)=O)C4)cnc2NCc2ccc3c(c2)OCC3)cc1Cl Homo sapiens CHEMBL3595016 cell-based format
CHEMBL3319400 OBDepict H 3 C N H 3 C S O O S N N H N H O O Cl N IC50 = 0.43 nM 574.13 CCN(CC)CCCS(=O)(=O)c1ccc2nc(NC(=O)NC(=O)c3cc(-n4cccc4)ccc3Cl)sc2c1 Homo sapiens CHEMBL3373238 cell-based format
CHEMBL3593815 OBDepict O NH N NH HO H 3 C CH 3 CH 3 F F O O IC50 = 0.44 nM 507.54 Cc1ccc(CNC(=O)c2cc(C#CC(C)(C)O)cnc2NCc2ccc3c(c2)OCO3)cc1C(F)F Homo sapiens CHEMBL3595016 cell-based format
CHEMBL4761419 OBDepict N N H O NH O H N N N N H O CH 3 Ki = 0.45 nM 575.67 COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)CNC(=O)CC#N)cc1 Homo sapiens CHEMBL4670384 cell-based format
CHEMBL1957003 OBDepict H 3 C N CH 3 H N CH 3 N O N O N N H 3 C Ki = 0.5 nM 446.56 Cc1nc2cnc(Oc3ccc4c(c3)ncn4C)cc2c(=O)n1C[C@H]1CCCN(C(C)C)C1 Homo sapiens CHEMBL1958783 assay format
CHEMBL3319399 OBDepict H 3 C N N S O O S N N H N H O O Cl N CH 3 IC50 = 0.57 nM 589.14 CN1CCN(CCCS(=O)(=O)c2ccc3nc(NC(=O)NC(=O)c4cc5c(ccn5C)cc4Cl)sc3c2)CC1 Homo sapiens CHEMBL3373238 cell-based format
CHEMBL240509 OBDepict H 3 C O N N H N NH H O N H HN IC50 = 0.6 nM 564.73 COc1ccc(CN2C([C@@H](Cc3c[nH]c4ccccc34)NC(=O)C3CCNCC3)=NNC2CCc2ccccc2)cc1 Homo sapiens CHEMBL900990 cell-based format
CHEMBL1957005 OBDepict Cl F O N N N O N CH 3 H N H 3 C CH 3 Ki = 0.6 nM 445.93 Cc1nc2ncc(Oc3ccc(Cl)cc3F)nc2c(=O)n1C[C@H]1CCCN(C(C)C)C1 Homo sapiens CHEMBL1958783 assay format
CHEMBL13817 OBDepict O N N H H O O H 2 N CH 3 CH 3 N S O O CH 3 IC50 = 0.63 nM 528.68 CC(C)(N)C(=O)N[C@H](COCc1ccccc1)C(=O)N1CCC2(CC1)CN(S(C)(=O)=O)c1ccccc12 Homo sapiens CHEMBL685178 single protein format
CHEMBL3581030 OBDepict CH 3 O N N N N H H O N N H IC50 = 0.7 nM 556.67 COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)c2ccccn2)cc1 Homo sapiens CHEMBL3583164 cell-based format
CHEMBL400175 OBDepict CH 3 O N N N HN H N O H N IC50 = 0.7 nM 542.64 COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@H](NC(=O)c2ccccn2)c2c[nH]c3ccccc23)cc1 Homo sapiens CHEMBL944882 cell-based format
CHEMBL205451 OBDepict H 2 N N N NH 2 O NH + N O _ O IC50 = 0.8 nM 456.51 Nc1nc(N)c(-c2ccc(CNc3ccc([N+](=O)[O-])cc3)cc2)c(COCc2ccccc2)n1 Homo sapiens CHEMBL861405 cell-based format
CHEMBL3645257 OBDepict OH HN O H N N N N NH H H O CH 3 O H 3 C Ki = 0.8 nM 566.66 COc1ccc(Cn2c([C@@H](Cc3ccccc3)NC(C)=O)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)CO)cc1 Homo sapiens CHEMBL3802020 cell-based format
CHEMBL391588 OBDepict H 3 C O O H 3 C N N H N NH H O N H HN IC50 = 0.9 nM 594.76 COc1ccc(CN2C([C@@H](Cc3c[nH]c4ccccc34)NC(=O)C3CCNCC3)=NNC2CCc2ccccc2)c(OC)c1 Homo sapiens CHEMBL900990 cell-based format
CHEMBL1923640 OBDepict F H N H O HN O H H 3 C N CH 3 O H NH O H Ki = 0.9 nM 550.68 C[C@@H]1C(=O)N[C@H](Cc2ccc(F)cc2)C(=O)NCCCc2cccc3c2O[C@H](CC3)CN[C@@H](C2CC2)C(=O)N1C Homo sapiens CHEMBL1925646 single protein format
CHEMBL1956992 OBDepict CH 3 N H 3 C H N H 3 C N O N O O O Ki = 0.9 nM 436.51 Cc1nc2ccc(Oc3ccc4c(c3)OCO4)nc2c(=O)n1C[C@H]1CCCN(C(C)C)C1 Homo sapiens CHEMBL1958783 assay format
CHEMBL3218912 OBDepict H 3 C O N N N O N H 3 C N H N H O IC50 = 0.91 nM 528.66 CCOc1cccc(-n2cc3nc(-c4cccnc4C)n(C[C@H]4CCCN(C[C@H]5CCCO5)C4)c(=O)c3n2)c1 Homo sapiens CHEMBL3227232 cell-based format
CHEMBL3319406 OBDepict H 3 C N S O O S N N H N H O O Cl N IC50 = 0.92 nM 562.12 CN1CCC(S(=O)(=O)c2ccc3nc(NC(=O)NC(=O)c4cc(N5CCCC5)ccc4Cl)sc3c2)CC1 Homo sapiens CHEMBL3373238 cell-based format
CHEMBL3586032 OBDepict H 3 C N O H H N N H N H O H O O O IC50 = 0.96 nM 566.66 CC(=O)N1[C@@H]2C=C(c3cnc(NCc4ccc5c(c4)OCC5)c(C(=O)NC[C@H]4COc5ccccc5O4)c3)C[C@H]1CC2 Homo sapiens CHEMBL3588724 single protein format
CHEMBL204325 OBDepict NH 2 N N H 2 N O N H F F S O O F F F IC50 = 1.0 nM 579.55 Nc1nc(N)c(-c2ccc(NCc3cc(F)c(S(=O)(=O)C(F)(F)F)c(F)c3)cc2)c(COCc2ccccc2)n1 Homo sapiens CHEMBL861405 cell-based format
CHEMBL3218650 OBDepict H 3 C O N H N N O N CH 3 N Cl IC50 = 1.1 nM 492.02 COCCN1CCC[C@@H](Cn2c(-c3ccccc3C)nc3cn(-c4ccc(Cl)cc4)nc3c2=O)C1 Homo sapiens CHEMBL3227232 cell-based format
CHEMBL3218651 OBDepict F N N N O N H 3 C N CH 3 CH 3 IC50 = 1.1 nM 459.57 Cc1ccccc1-c1nc2cn(-c3ccc(F)cc3)nc2c(=O)n1CC1CCCN(C(C)C)C1 Homo sapiens CHEMBL3227232 cell-based format
CHEMBL250974 OBDepict CH 3 O O CH 3 N N N HN H N O H N IC50 = 1.1 nM 572.67 COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@H](NC(=O)c2ccccn2)c2c[nH]c3ccccc23)c(OC)c1 Homo sapiens CHEMBL944882 cell-based format
CHEMBL205470 OBDepict NH 2 N N H 2 N O HN O CH 3 IC50 = 1.2 nM 453.55 CC(=O)c1ccc(CNc2ccc(-c3c(N)nc(N)nc3COCc3ccccc3)cc2)cc1 Homo sapiens CHEMBL861405 cell-based format
CHEMBL3319215 OBDepict H 3 C N N S O O S N N H N H O O Cl IC50 = 1.3 nM 536.08 CN1CCN(CCCS(=O)(=O)c2ccc3nc(NC(=O)NC(=O)c4ccccc4Cl)sc3c2)CC1 Homo sapiens CHEMBL3373238 cell-based format
CHEMBL206820 OBDepict H 2 N N N NH 2 N H N H F S O O CH 3 IC50 = 1.5 nM 492.58 CS(=O)(=O)c1ccc(CNc2ccc(-c3c(N)nc(N)nc3CNc3ccc(F)cc3)cc2)cc1 Homo sapiens CHEMBL870659 single protein format
CHEMBL205521 OBDepict H 2 N N N NH 2 O N H N Cl IC50 = 1.5 nM 446.94 Nc1nc(N)c(-c2ccc(NCc3ccnc(Cl)c3)cc2)c(COCc2ccccc2)n1 Homo sapiens CHEMBL861405 cell-based format
CHEMBL3218646 OBDepict Cl S N O N H 3 C N CH 3 CH 3 IC50 = 1.5 nM 492.09 Cc1ccccc1-c1nc2cc(-c3ccc(Cl)cc3)sc2c(=O)n1CC1CCCN(C(C)C)C1 Homo sapiens CHEMBL3227232 cell-based format
CHEMBL1957006 OBDepict CH 3 N H 3 C H N H 3 C N O N N O O O Ki = 1.5 nM 437.5 Cc1nc2ncc(Oc3ccc4c(c3)OCO4)nc2c(=O)n1C[C@H]1CCCN(C(C)C)C1 Homo sapiens CHEMBL1958783 assay format
CHEMBL3218885 OBDepict Cl N N N O N H 3 C N CH 3 CH 3 IC50 = 1.6 nM 476.02 Cc1ccccc1-c1nc2cn(-c3cccc(Cl)c3)nc2c(=O)n1CC1CCCN(C(C)C)C1 Homo sapiens CHEMBL3227232 cell-based format
CHEMBL361804 OBDepict H 3 C N H 3 C N O OH O NH 2 F F F Cl Cl IC50 = 1.6 nM 504.34 CCN(CC)CCN1C(=O)[C@@](O)(c2cccc(Cl)c2Cl)c2c1cc(C(N)=O)cc2C(F)(F)F Homo sapiens CHEMBL831432 assay format
CHEMBL3218904 OBDepict CH 3 O N N N O N CH 3 N H N IC50 = 1.6 nM 498.63 COc1cccc(-n2cc3nc(-c4cccnc4C)n(C[C@H]4CCCN(CC5CCC5)C4)c(=O)c3n2)c1 Homo sapiens CHEMBL3227232 cell-based format
CHEMBL3218890 OBDepict CH 3 O N N N O N CH 3 N H N H 3 C H 3 C IC50 = 1.7 nM 472.59 COc1cccc(-n2cc3nc(-c4cccnc4C)n(C[C@H]4CCCN(C(C)C)C4)c(=O)c3n2)c1 Homo sapiens CHEMBL3227232 cell-based format
CHEMBL3218900 OBDepict H 3 C O N CH 3 H H N N O N CH 3 N N O CH 3 IC50 = 1.7 nM 502.62 COC[C@H](C)N1CCC[C@H](Cn2c(-c3cccnc3C)nc3cn(-c4cccc(OC)c4)nc3c2=O)C1 Homo sapiens CHEMBL3227232 cell-based format
CHEMBL1956987 OBDepict H 3 C N CH 3 H N H 3 C N O N O Ki = 1.7 nM 468.6 Cc1nc2ncc(Oc3ccc(-c4ccccc4)cc3)cc2c(=O)n1C[C@H]1CCCN(C(C)C)C1 Homo sapiens CHEMBL1958783 assay format
CHEMBL3218886 OBDepict CH 3 O N N N O N CH 3 N H 3 C CH 3 IC50 = 1.8 nM 471.61 COc1cccc(-n2cc3nc(-c4ccccc4C)n(CC4CCCN(C(C)C)C4)c(=O)c3n2)c1 Homo sapiens CHEMBL3227232 cell-based format
CHEMBL249639 OBDepict H 3 C O N N N NH H N O N H N H IC50 = 1.9 nM 581.68 COc1ccc(Cn2c(CCc3c[nH]c4ccccc34)nnc2[C@H](NC(=O)c2ccccn2)c2c[nH]c3ccccc23)cc1 Homo sapiens CHEMBL944882 cell-based format
CHEMBL1957008 OBDepict CH 3 N H 3 C H N CH 3 N O N N O N F Ki = 1.9 nM 462.53 Cc1nc2ncc(Oc3ccc(F)c4cccnc34)nc2c(=O)n1C[C@H]1CCCN(C(C)C)C1 Homo sapiens CHEMBL1958783 assay format
CHEMBL3581042 OBDepict CH 3 O N N N N H H O N N H O H 3 C IC50 = 2.0 nM 586.7 COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)c2cccc(OC)n2)cc1 Homo sapiens CHEMBL3583164 cell-based format
CHEMBL205711 OBDepict O N H N NH 2 N NH 2 Cl HN S O O CH 3 IC50 = 2.0 nM 565.1 CS(=O)(=O)c1ccc(CNc2ccc(-c3c(N)nc(N)nc3CCC(=O)NCc3cccc(Cl)c3)cc2)cc1 Homo sapiens CHEMBL870659 single protein format
CHEMBL3581039 OBDepict CH 3 O N N N N H H O N N H F IC50 = 2.0 nM 574.66 COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)c2cccc(F)n2)cc1 Homo sapiens CHEMBL3583164 cell-based format
CHEMBL1079108 OBDepict O N H N H CH 3 CH 3 S HN O O H 2 N CH 3 CH 3 IC50 = 2.0 nM 530.69 CC(C)(N)Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)NC(C)(C)c3cccc4ccccc34)cc2)cc1 Homo sapiens CHEMBL1106715 single protein format
CHEMBL390308 OBDepict CH 3 N H 3 C HN O HN O O Cl H 3 C CH 3 IC50 = 2.0 nM 472.03 CCN(CC)c1ccc(NC(=O)C2(NC(=O)OCC(C)C)CCc3cccc(Cl)c3C2)cc1 Homo sapiens CHEMBL914477 single protein format
CHEMBL1956988 OBDepict F O N N O N CH 3 H N H 3 C CH 3 Ki = 2.0 nM 410.49 Cc1nc2ccc(Oc3ccc(F)cc3)nc2c(=O)n1C[C@H]1CCCN(C(C)C)C1 Homo sapiens CHEMBL1958783 assay format
CHEMBL360227 OBDepict H 3 C N H 3 C N O OH O NH 2 F F F Cl IC50 = 2.1 nM 469.89 CCN(CC)CCN1C(=O)[C@@](O)(c2ccccc2Cl)c2c1cc(C(N)=O)cc2C(F)(F)F Homo sapiens CHEMBL831432 assay format