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Q86TI2 | DPP9_HUMAN | Dipeptidyl peptidase 9 (DPP9)

3D structures mapped by conservation among orthologs

[ Domain: "8-bladed" // UNK_F_TYPE ]

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[ Domain: "8-bladed" // UNK_F_TYPE ]

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[ Domain: "8-bladed" // F_UNCLASSIFIED ]

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[ Domain: "alpha/beta-Hydrolases" // Hydrolase_4 ]

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[ Domain: pdbs with more than 2 multi-domains ]

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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
CHEMBL1215376 OBDepict NH 2 CH 3 N N N Cl Cl N H O N Ki = 0.19 nM 455.35 Cc1nc2nc(C(=O)NCCc3ccccn3)cn2c(-c2ccc(Cl)cc2Cl)c1CN Homo sapiens CHEMBL1218972 single protein format
CHEMBL1215374 OBDepict NH 2 CH 3 N N N Cl Cl O N H N CH 3 Ki = 0.28 nM 469.38 Cc1cccc(CNCC(=O)c2cn3c(-c4ccc(Cl)cc4Cl)c(CN)c(C)nc3n2)n1 Homo sapiens CHEMBL1218972 single protein format
CHEMBL1215375 OBDepict NH 2 CH 3 N N N Cl Cl N H O N Ki = 0.3 nM 455.35 Cc1nc2nc(C(=O)NCCc3cccnc3)cn2c(-c2ccc(Cl)cc2Cl)c1CN Homo sapiens CHEMBL1218972 single protein format
CHEMBL2441845 OBDepict NH 2 CH 3 N O N Cl Cl O OH Ki = 0.3 nM 394.26 Cc1nc2c(c(-c3ccc(Cl)cc3Cl)c1CN)C(=O)N(CCC(=O)O)C2 Homo sapiens CHEMBL2444438 single protein format
CHEMBL2063040 OBDepict H 2 N N H NH NH 2 H N O H B H OH HO HO IC50 = 0.31 nM 287.13 N=C(N)NCCC[C@H](N)C(=O)N1C[C@@H](O)C[C@H]1B(O)O Homo sapiens CHEMBL2066845 cell-based format
CHEMBL67089 OBDepict NH 2 N O H B HO HO Ki = 0.41 nM 171.99 NCC(=O)N1CCC[C@H]1B(O)O Homo sapiens CHEMBL1035669 cell-based format
CHEMBL2441839 OBDepict NH 2 CH 3 N O N Cl Cl H O Ki = 0.5 nM 406.31 Cc1nc2c(c(-c3ccc(Cl)cc3Cl)c1CN)C(=O)N(C[C@@H]1CCCO1)C2 Homo sapiens CHEMBL2444438 single protein format
CHEMBL63860 OBDepict HO B OH H N O H 2 N CH 3 H Ki = 0.53 nM 186.02 C[C@H](N)C(=O)N1CCC[C@H]1B(O)O Homo sapiens CHEMBL1035669 cell-based format
CHEMBL1215236 OBDepict H 2 N H 3 C N N N Cl Cl N O CH 3 N Ki = 0.55 nM 469.38 Cc1nc2nc(C(=O)N(C)CCc3ccccn3)cn2c(-c2ccc(Cl)cc2Cl)c1CN Homo sapiens CHEMBL1218972 single protein format
CHEMBL1215167 OBDepict H 2 N H 3 C N N N Cl Cl N O CH 3 N Ki = 0.6 nM 455.35 Cc1nc2nc(C(=O)N(C)Cc3cccnc3)cn2c(-c2ccc(Cl)cc2Cl)c1CN Homo sapiens CHEMBL1218972 single protein format
CHEMBL67279 OBDepict CH 3 CH 3 NH 2 H N O H B HO HO Ki = 0.76 nM 214.07 CC(C)[C@H](N)C(=O)N1CCC[C@H]1B(O)O Homo sapiens CHEMBL1035669 cell-based format
CHEMBL2441955 OBDepict NH 2 CH 3 N O N Cl Cl N O Ki = 0.8 nM 447.37 Cc1nc2c(c(-c3ccc(Cl)cc3Cl)c1CN)C(=O)N(CC(=O)N1CCCCC1)C2 Homo sapiens CHEMBL2444438 single protein format
CHEMBL1215087 OBDepict NH 2 CH 3 N N N Cl Cl N O N S O O CH 3 Ki = 0.83 nM 497.41 Cc1nc2nc(C(=O)N3CCN(S(C)(=O)=O)CC3)cn2c(-c2ccc(Cl)cc2Cl)c1CN Homo sapiens CHEMBL1218972 single protein format
CHEMBL1215299 OBDepict H 2 N H 3 C N N N Cl Cl N O CH 3 N Ki = 0.86 nM 455.35 Cc1nc2nc(C(=O)N(C)Cc3ccncc3)cn2c(-c2ccc(Cl)cc2Cl)c1CN Homo sapiens CHEMBL1218972 single protein format
CHEMBL1215089 OBDepict H 2 N CH 3 N N N Cl Cl N H O N CH 3 N H 3 C Ki = 0.9 nM 444.33 Cc1cc(NC(=O)c2cn3c(-c4ccc(Cl)cc4Cl)c(CN)c(C)nc3n2)n(C)n1 Homo sapiens CHEMBL1218972 single protein format
CHEMBL2441844 OBDepict NH 2 CH 3 N O N Cl Cl O HO Ki = 0.9 nM 380.23 Cc1nc2c(c(-c3ccc(Cl)cc3Cl)c1CN)C(=O)N(CC(=O)O)C2 Homo sapiens CHEMBL2444438 single protein format
CHEMBL2441954 OBDepict NH 2 CH 3 N O N Cl Cl N O Ki = 0.9 nM 433.34 Cc1nc2c(c(-c3ccc(Cl)cc3Cl)c1CN)C(=O)N(CC(=O)N1CCCC1)C2 Homo sapiens CHEMBL2444438 single protein format
CHEMBL1215233 OBDepict NH 2 CH 3 N N N Cl Cl N H O N N CH 3 Ki = 0.9 nM 444.33 CCn1nccc1NC(=O)c1cn2c(-c3ccc(Cl)cc3Cl)c(CN)c(C)nc2n1 Homo sapiens CHEMBL1218972 single protein format
CHEMBL1215164 OBDepict NH 2 CH 3 N N N Cl Cl N O O CH 3 CH 3 Ki = 0.94 nM 434.33 Cc1nc2nc(C(=O)N3COCC3(C)C)cn2c(-c2ccc(Cl)cc2Cl)c1CN Homo sapiens CHEMBL1218972 single protein format
CHEMBL1214942 OBDepict NH 2 CH 3 N N N Cl Cl N O Ki = 1.0 nM 404.3 Cc1nc2nc(C(=O)N3CCCC3)cn2c(-c2ccc(Cl)cc2Cl)c1CN Homo sapiens CHEMBL1218972 single protein format
CHEMBL2441831 OBDepict NH 2 CH 3 N O N Cl N Cl N CH 3 Ki = 1.2 nM 402.29 Cc1nc2c(c(-c3ccc(Cl)cc3Cl)c1CN)C(=O)N(c1ccn(C)n1)C2 Homo sapiens CHEMBL2444438 single protein format
CHEMBL2441829 OBDepict NH 2 CH 3 N O N Cl Cl O H 3 C Ki = 1.3 nM 428.32 COc1ccc(N2Cc3nc(C)c(CN)c(-c4ccc(Cl)cc4Cl)c3C2=O)cc1 Homo sapiens CHEMBL2444438 single protein format
CHEMBL1215017 OBDepict H 3 C O H N O N N N CH 3 Cl NH 2 Cl Ki = 1.3 nM 448.35 COC[C@H]1CCCN1C(=O)c1cn2c(-c3ccc(Cl)cc3Cl)c(CN)c(C)nc2n1 Homo sapiens CHEMBL1218972 single protein format
CHEMBL2441846 OBDepict CH 3 N O H 3 C N O N CH 3 Cl NH 2 Cl Ki = 1.3 nM 435.36 CCN(CC)C(=O)CN1Cc2nc(C)c(CN)c(-c3ccc(Cl)cc3Cl)c2C1=O Homo sapiens CHEMBL2444438 single protein format
CHEMBL1214877 OBDepict CH 3 N O H 3 C N N N CH 3 NH 2 Cl Cl Ki = 1.4 nM 406.32 CCN(CC)C(=O)c1cn2c(-c3ccc(Cl)cc3Cl)c(CN)c(C)nc2n1 Homo sapiens CHEMBL1218972 single protein format
CHEMBL1214944 OBDepict H 2 N H 3 C N N N Cl Cl N H O O Ki = 1.5 nM 434.33 Cc1nc2nc(C(=O)NC3CCOCC3)cn2c(-c2ccc(Cl)cc2Cl)c1CN Homo sapiens CHEMBL1218972 single protein format
CHEMBL2441953 OBDepict H 3 C N CH 3 O N O N CH 3 Cl NH 2 Cl Ki = 1.8 nM 435.36 CCCN(C)C(=O)CN1Cc2nc(C)c(CN)c(-c3ccc(Cl)cc3Cl)c2C1=O Homo sapiens CHEMBL2444438 single protein format
CHEMBL2441836 OBDepict CH 3 O N O N CH 3 Cl NH 2 Cl Ki = 1.9 nM 380.28 COCCN1Cc2nc(C)c(CN)c(-c3ccc(Cl)cc3Cl)c2C1=O Homo sapiens CHEMBL2444438 single protein format
CHEMBL1215016 OBDepict NH 2 CH 3 N N N Cl Cl N O N H O Ki = 1.9 nM 433.3 Cc1nc2nc(C(=O)N3CCNC(=O)C3)cn2c(-c2ccc(Cl)cc2Cl)c1CN Homo sapiens CHEMBL1218972 single protein format
CHEMBL1215302 OBDepict NH 2 CH 3 N N N Cl Cl N H O S N N Ki = 1.9 nM 510.41 Cc1nc2nc(C(=O)Nc3nc(-c4cccnc4)cs3)cn2c(-c2ccc(Cl)cc2Cl)c1CN Homo sapiens CHEMBL1218972 single protein format
CHEMBL67279 OBDepict CH 3 CH 3 NH 2 H N O H B HO HO IC50 = 2.0 nM 214.07 CC(C)[C@H](N)C(=O)N1CCC[C@H]1B(O)O Homo sapiens CHEMBL902273 single protein format
CHEMBL1215088 OBDepict NH 2 CH 3 N N N Cl Cl N O H 3 C S O O CH 3 Ki = 2.0 nM 470.38 Cc1nc2nc(C(=O)N(C)CCS(C)(=O)=O)cn2c(-c2ccc(Cl)cc2Cl)c1CN Homo sapiens CHEMBL1218972 single protein format
CHEMBL195189 OBDepict CH 3 CH 3 NH 2 H N O H B HO HO IC50 = 2.0 nM 214.07 CC(C)[C@H](N)C(=O)N1CCC[C@@H]1B(O)O Homo sapiens CHEMBL880437 single protein format
CHEMBL1215448 OBDepict NH 2 CH 3 N N N Cl Cl N H O N Ki = 2.1 nM 455.35 Cc1nc2nc(C(=O)NCCc3ccncc3)cn2c(-c2ccc(Cl)cc2Cl)c1CN Homo sapiens CHEMBL1218972 single protein format
CHEMBL2063033 OBDepict OH B OH H N H HO O H NH IC50 = 2.1 nM 228.06 O=C([C@@H]1CCCN1)N1C[C@@H](O)C[C@H]1B(O)O Homo sapiens CHEMBL2066845 cell-based format
CHEMBL1214943 OBDepict NH 2 CH 3 N N N Cl Cl N O O Ki = 2.2 nM 420.3 Cc1nc2nc(C(=O)N3CCOCC3)cn2c(-c2ccc(Cl)cc2Cl)c1CN Homo sapiens CHEMBL1218972 single protein format
CHEMBL1215018 OBDepict NH 2 CH 3 N N N Cl Cl N O H N H S O O CH 3 Ki = 2.2 nM 497.41 Cc1nc2nc(C(=O)N3CC[C@H](NS(C)(=O)=O)C3)cn2c(-c2ccc(Cl)cc2Cl)c1CN Homo sapiens CHEMBL1218972 single protein format
CHEMBL2441837 OBDepict H 3 C O N CH 3 H O N CH 3 Cl NH 2 Cl Ki = 2.3 nM 394.3 COC[C@H](C)N1Cc2nc(C)c(CN)c(-c3ccc(Cl)cc3Cl)c2C1=O Homo sapiens CHEMBL2444438 single protein format
CHEMBL2441830 OBDepict NH 2 CH 3 N O N Cl Cl O CH 3 Ki = 2.3 nM 428.32 COc1ccccc1N1Cc2nc(C)c(CN)c(-c3ccc(Cl)cc3Cl)c2C1=O Homo sapiens CHEMBL2444438 single protein format
CHEMBL1215163 OBDepict NH 2 CH 3 N N N Cl Cl N H O N O Ki = 2.5 nM 431.28 Cc1nc2nc(C(=O)NCc3ncco3)cn2c(-c2ccc(Cl)cc2Cl)c1CN Homo sapiens CHEMBL1218972 single protein format
CHEMBL1215166 OBDepict NH 2 CH 3 N N N Cl Cl N H O N O Ki = 2.5 nM 417.26 Cc1nc2nc(C(=O)Nc3ccon3)cn2c(-c2ccc(Cl)cc2Cl)c1CN Homo sapiens CHEMBL1218972 single protein format
CHEMBL494497 OBDepict OH O NH 2 H N O H B OH HO Ki = 2.6 nM 244.06 N[C@@H](CCC(=O)O)C(=O)N1CCC[C@H]1B(O)O Homo sapiens CHEMBL1035669 cell-based format
CHEMBL2441847 OBDepict CH 3 N O H 3 C N O N CH 3 Cl NH 2 Cl Ki = 2.8 nM 449.38 CCN(CC)C(=O)CCN1Cc2nc(C)c(CN)c(-c3ccc(Cl)cc3Cl)c2C1=O Homo sapiens CHEMBL2444438 single protein format
CHEMBL63860 OBDepict HO B OH H N O H 2 N CH 3 H IC50 = 2.8 nM 186.02 C[C@H](N)C(=O)N1CCC[C@H]1B(O)O Homo sapiens CHEMBL2066845 cell-based format
CHEMBL2441841 OBDepict NH 2 CH 3 N O N Cl Cl H N S O O Ki = 2.9 nM 509.46 Cc1nc2c(c(-c3ccc(Cl)cc3Cl)c1CN)C(=O)N(C[C@@H]1CCCN1S(=O)(=O)C1CC1)C2 Homo sapiens CHEMBL2444438 single protein format
CHEMBL94278 OBDepict N H N O H 2 N H Ki = 3.0 nM 221.3 N#C[C@@H]1CCCN1C(=O)[C@@H](N)C1CCCC1 Homo sapiens CHEMBL912989 single protein format
CHEMBL2441838 OBDepict NH 2 CH 3 N O N Cl Cl H O Ki = 3.1 nM 406.31 Cc1nc2c(c(-c3ccc(Cl)cc3Cl)c1CN)C(=O)N(C[C@H]1CCCO1)C2 Homo sapiens CHEMBL2444438 single protein format
CHEMBL2441952 OBDepict NH 2 CH 3 N O N Cl Cl N O H 3 C CH 3 Ki = 3.2 nM 407.3 Cc1nc2c(c(-c3ccc(Cl)cc3Cl)c1CN)C(=O)N(CC(=O)N(C)C)C2 Homo sapiens CHEMBL2444438 single protein format
CHEMBL2441951 OBDepict CH 3 N H O N O N CH 3 Cl NH 2 Cl Ki = 3.3 nM 393.27 CNC(=O)CN1Cc2nc(C)c(CN)c(-c3ccc(Cl)cc3Cl)c2C1=O Homo sapiens CHEMBL2444438 single protein format
CHEMBL1215373 OBDepict NH 2 CH 3 N N N Cl Cl N H O N N H Ki = 3.3 nM 444.33 Cc1nc2nc(C(=O)NCCc3c[nH]cn3)cn2c(-c2ccc(Cl)cc2Cl)c1CN Homo sapiens CHEMBL1218972 single protein format
CHEMBL2441828 OBDepict NH 2 CH 3 N O N Cl Cl Ki = 3.4 nM 398.29 Cc1nc2c(c(-c3ccc(Cl)cc3Cl)c1CN)C(=O)N(c1ccccc1)C2 Homo sapiens CHEMBL2444438 single protein format
CHEMBL1215234 OBDepict NH 2 CH 3 N N N Cl Cl N H O N CH 3 N Ki = 3.5 nM 430.3 Cc1nc2nc(C(=O)Nc3ccnn3C)cn2c(-c2ccc(Cl)cc2Cl)c1CN Homo sapiens CHEMBL1218972 single protein format
CHEMBL1215090 OBDepict NH 2 CH 3 N N N Cl Cl N H O S N H 3 C Ki = 3.5 nM 447.35 Cc1csc(NC(=O)c2cn3c(-c4ccc(Cl)cc4Cl)c(CN)c(C)nc3n2)n1 Homo sapiens CHEMBL1218972 single protein format
CHEMBL1215300 OBDepict NH 2 CH 3 N N N Cl Cl N H O O Ki = 3.5 nM 430.3 Cc1nc2nc(C(=O)NCc3ccco3)cn2c(-c2ccc(Cl)cc2Cl)c1CN Homo sapiens CHEMBL1218972 single protein format
CHEMBL2063024 OBDepict HO B OH H N H HO O H 2 N CH 3 H IC50 = 3.5 nM 202.02 C[C@H](N)C(=O)N1C[C@@H](O)C[C@H]1B(O)O Homo sapiens CHEMBL2066845 cell-based format
CHEMBL2441833 OBDepict NH 2 CH 3 N O N Cl Cl N N CH 3 Ki = 3.7 nM 416.31 Cc1nc2c(c(-c3ccc(Cl)cc3Cl)c1CN)C(=O)N(Cc1ccn(C)n1)C2 Homo sapiens CHEMBL2444438 single protein format
CHEMBL2441835 OBDepict NH 2 CH 3 N O N Cl Cl N O H 3 C Ki = 4.3 nM 417.3 Cc1cc(CN2Cc3nc(C)c(CN)c(-c4ccc(Cl)cc4Cl)c3C2=O)no1 Homo sapiens CHEMBL2444438 single protein format
CHEMBL472128 OBDepict N H N H N O + N H 2 N H _ N N H IC50 = 4.6 nM 391.48 N#C[C@@H]1C[C@H](N=[N+]=[N-])CN1C(=O)[C@@H](N)CCCCNc1ccc2ccccc2c1 Homo sapiens CHEMBL938685 single protein format
CHEMBL194852 OBDepict CH 3 H 2 N H N O H B HO HO IC50 = 4.6 nM 228.1 CCCC[C@H](N)C(=O)N1CCC[C@@H]1B(O)O Homo sapiens CHEMBL880437 single protein format
CHEMBL1214876 OBDepict CH 3 O O N N N CH 3 NH 2 Cl Cl Ki = 5.2 nM 379.25 CCOC(=O)c1cn2c(-c3ccc(Cl)cc3Cl)c(CN)c(C)nc2n1 Homo sapiens CHEMBL1218972 single protein format
CHEMBL2441950 OBDepict NH 2 CH 3 N O N Cl Cl O H 2 N Ki = 5.4 nM 379.25 Cc1nc2c(c(-c3ccc(Cl)cc3Cl)c1CN)C(=O)N(CC(N)=O)C2 Homo sapiens CHEMBL2444438 single protein format
CHEMBL1215235 OBDepict NH 2 CH 3 N N N Cl Cl N H O S Ki = 5.6 nM 446.36 Cc1nc2nc(C(=O)NCc3cccs3)cn2c(-c2ccc(Cl)cc2Cl)c1CN Homo sapiens CHEMBL1218972 single protein format
CHEMBL1215165 OBDepict NH 2 CH 3 N N N Cl Cl N H O N N H 3 C Ki = 5.8 nM 430.3 Cc1nc2nc(C(=O)Nc3ccn(C)n3)cn2c(-c2ccc(Cl)cc2Cl)c1CN Homo sapiens CHEMBL1218972 single protein format
CHEMBL471547 OBDepict CH 3 CH 3 H NH 2 H N O H H N N + N _ N IC50 = 6.3 nM 250.31 CC[C@@H](C)[C@H](N)C(=O)N1C[C@@H](N=[N+]=[N-])C[C@H]1C#N Homo sapiens CHEMBL938685 single protein format
CHEMBL2063031 OBDepict HO B HO H N H OH O H 2 N H CH 3 CH 3 CH 3 IC50 = 6.4 nM 244.1 CC(C)(C)[C@H](N)C(=O)N1C[C@@H](O)C[C@H]1B(O)O Homo sapiens CHEMBL2066845 cell-based format
CHEMBL194428 OBDepict NH 2 NH 2 H N O H B OH HO IC50 = 6.7 nM 215.06 NCC[C@H](N)C(=O)N1CCC[C@@H]1B(O)O Homo sapiens CHEMBL880437 single protein format
CHEMBL2441848 OBDepict CH 3 N O H 3 C N CH 3 H O N CH 3 Cl NH 2 Cl Ki = 6.8 nM 449.38 CCN(CC)C(=O)[C@@H](C)N1Cc2nc(C)c(CN)c(-c3ccc(Cl)cc3Cl)c2C1=O Homo sapiens CHEMBL2444438 single protein format
CHEMBL2441834 OBDepict NH 2 CH 3 N O N Cl Cl N O Ki = 7.3 nM 403.27 Cc1nc2c(c(-c3ccc(Cl)cc3Cl)c1CN)C(=O)N(Cc1ncco1)C2 Homo sapiens CHEMBL2444438 single protein format
CHEMBL2063035 OBDepict O N H N H H B H HO H OH HO OH IC50 = 9.3 nM 244.06 O=C([C@@H]1C[C@@H](O)CN1)N1C[C@@H](O)C[C@H]1B(O)O Homo sapiens CHEMBL2066845 cell-based format
CHEMBL2063037 OBDepict O N H N H H B H HO H OH HO OH IC50 = 9.5 nM 244.06 O=C([C@@H]1C[C@H](O)CN1)N1C[C@@H](O)C[C@H]1B(O)O Homo sapiens CHEMBL2066845 cell-based format
CHEMBL3085037 OBDepict N N O H H N H N O H N Ki = 10.0 nM 353.43 N#Cc1ccc(O[C@H]2CC[C@H](NCC(=O)N3CCC[C@H]3C#N)CC2)nc1 Homo sapiens CHEMBL912989 single protein format
CHEMBL2063026 OBDepict HO B OH H N H F O H 2 N CH 3 H IC50 = 11.0 nM 204.01 C[C@H](N)C(=O)N1C[C@H](F)C[C@H]1B(O)O Homo sapiens CHEMBL2066845 cell-based format
CHEMBL2063032 OBDepict HO B HO H N H OH O H 2 N H CH 3 CH 3 CH 3 IC50 = 14.0 nM 244.1 CC(C)(C)[C@H](N)C(=O)N1C[C@H](O)C[C@H]1B(O)O Homo sapiens CHEMBL2066845 cell-based format
CHEMBL1929394 OBDepict N H N O HN CH 3 CH 3 N H O CH 3 N CH 3 N N ClH IC50 = 21.0 nM 510.04 Cc1nc2cc(-c3ccccc3)nn2c(C)c1C(=O)NCC(C)(C)NCC(=O)N1CCC[C@H]1C#N.Cl Homo sapiens CHEMBL1932592 cell-based format
CHEMBL471731 OBDepict _ N + N N H N H O N H 2 N H H 2 N IC50 = 25.0 nM 265.32 N#C[C@@H]1C[C@H](N=[N+]=[N-])CN1C(=O)[C@@H](N)CCCCN Homo sapiens CHEMBL938685 single protein format
CHEMBL1929395 OBDepict N H N O HN CH 3 CH 3 NH O CH 3 N CH 3 N N H 3 C ClH IC50 = 28.0 nM 447.97 Cc1cc2nc(C)c(C(=O)NCC(C)(C)NCC(=O)N3CCC[C@H]3C#N)c(C)n2n1.Cl Homo sapiens CHEMBL1932592 cell-based format
CHEMBL1929392 OBDepict N H N O NH H 3 C H 3 C N H O N CH 3 N N ClH IC50 = 30.0 nM 496.02 Cc1c(C(=O)NCC(C)(C)NCC(=O)N2CCC[C@H]2C#N)cnc2cc(-c3ccccc3)nn12.Cl Homo sapiens CHEMBL1932592 cell-based format
CHEMBL3330051 OBDepict N H N H F O H 2 N H H 3 C IC50 = 30.0 nM 289.35 Cc1ccccc1C[C@@H](N)CC(=O)N1C[C@@H](F)C[C@H]1C#N Homo sapiens CHEMBL3370158 assay format
CHEMBL391466 OBDepict O N H NH S H N N + N O _ O IC50 = 30.2 nM 391.5 O=C([C@@H]1C[C@H](N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CN1)N1CCSC1 Homo sapiens CHEMBL2060149 single protein format
CHEMBL2063029 OBDepict OH O NH 2 H N O H B H HO OH HO IC50 = 35.0 nM 260.05 N[C@@H](CCC(=O)O)C(=O)N1C[C@@H](O)C[C@H]1B(O)O Homo sapiens CHEMBL2066845 cell-based format
CHEMBL471546 OBDepict CH 3 CH 3 H NH 2 H N O H H N N + N _ N IC50 = 35.0 nM 250.31 CC[C@H](C)[C@H](N)C(=O)N1C[C@@H](N=[N+]=[N-])C[C@H]1C#N Homo sapiens CHEMBL938685 single protein format
CHEMBL1082347 OBDepict H 3 C O H H H H NH N O H N ClH IC50 = 37.0 nM 327.86 CO[C@H]1C[C@@H]2C[C@@H](NCC(=O)N3CCC[C@H]3C#N)C[C@@H]2C1.Cl Homo sapiens CHEMBL1120125 single protein format
CHEMBL1082348 OBDepict H 3 C O H H H H NH N O H N ClH IC50 = 37.0 nM 327.86 CO[C@@H]1C[C@@H]2C[C@@H](NCC(=O)N3CCC[C@H]3C#N)C[C@@H]2C1.Cl Homo sapiens CHEMBL1120125 single protein format
CHEMBL209940 OBDepict N Cl O H N H H N O H N Ki = 39.0 nM 358.83 N#Cc1ccc(OC[C@H]2CC[C@@H](C(=O)N3CCC[C@H]3C#N)N2)c(Cl)c1 Homo sapiens CHEMBL854228 single protein format
CHEMBL3330057 OBDepict N H N H F O H 2 N H Cl Cl IC50 = 40.0 nM 344.22 N#C[C@@H]1C[C@H](F)CN1C(=O)C[C@H](N)Cc1ccc(Cl)cc1Cl Homo sapiens CHEMBL3370158 assay format
CHEMBL2063039 OBDepict OH O NH 2 H N O H B H HO OH HO IC50 = 40.0 nM 274.08 N[C@@H](CCCC(=O)O)C(=O)N1C[C@H](O)C[C@H]1B(O)O Homo sapiens CHEMBL2066845 cell-based format
CHEMBL1929390 OBDepict N H N O HN CH 3 CH 3 NH O N OH N N H 3 C ClH IC50 = 45.0 nM 435.92 Cc1cc2ncc(C(=O)NCC(C)(C)NCC(=O)N3CCC[C@H]3C#N)c(O)n2n1.Cl Homo sapiens CHEMBL1932592 cell-based format
CHEMBL379999 OBDepict N H N O H N H H O Cl O HO Ki = 49.0 nM 377.83 N#C[C@@H]1CCCN1C(=O)[C@@H]1CC[C@H](COc2ccc(C(=O)O)cc2Cl)N1 Homo sapiens CHEMBL854228 single protein format
CHEMBL365322 OBDepict OH B OH HN H 3 C H O H 2 N H CH 3 CH 3 Ki = 50.0 nM 188.04 CC(C)[C@H](N)C(=O)N[C@@H](C)B(O)O Homo sapiens CHEMBL1035669 cell-based format
CHEMBL210805 OBDepict N H N O H N H H O Cl S O O CH 3 Ki = 50.0 nM 411.91 CS(=O)(=O)c1ccc(OC[C@H]2CC[C@@H](C(=O)N3CCC[C@H]3C#N)N2)c(Cl)c1 Homo sapiens CHEMBL854228 single protein format
CHEMBL1929393 OBDepict N H N O NH H 3 C H 3 C N H O H 3 C N CH 3 N N CH 3 CH 3 CH 3 ClH IC50 = 53.0 nM 490.05 Cc1nc2cc(C(C)(C)C)nn2c(C)c1C(=O)NCC(C)(C)NCC(=O)N1CCC[C@H]1C#N.Cl Homo sapiens CHEMBL1932592 cell-based format
CHEMBL362018 OBDepict N H N O H 2 N H N O N F F IC50 = 53.0 nM 481.55 N#C[C@@H]1CCCN1C(=O)[C@@H](N)CC(=O)N1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 Homo sapiens CHEMBL1246391 cell-based format
CHEMBL1814633 OBDepict H NH 2 N O N O N F F IC50 = 53.0 nM 504.58 N[C@@H](CC(=O)N1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1)C(=O)N1Cc2ccccc2C1 Homo sapiens CHEMBL1816913 single protein format
CHEMBL1929387 OBDepict N H N O NH H 3 C H 3 C HN O N N N CH 3 ClH IC50 = 60.0 nM 419.92 Cc1cc2ncc(C(=O)NCC(C)(C)NCC(=O)N3CCC[C@H]3C#N)cn2n1.Cl Homo sapiens CHEMBL1932592 cell-based format
CHEMBL436744 OBDepict N H N O H N H H O CH 3 H 3 C O OH Ki = 60.0 nM 385.46 CC(C)c1cc(C(=O)O)ccc1OC[C@H]1CC[C@@H](C(=O)N2CCC[C@H]2C#N)N1 Homo sapiens CHEMBL854228 single protein format
CHEMBL1929388 OBDepict N H N O HN CH 3 CH 3 NH O N CH 3 N N H 3 C ClH IC50 = 64.0 nM 433.94 Cc1cc2ncc(C(=O)NCC(C)(C)NCC(=O)N3CCC[C@H]3C#N)c(C)n2n1.Cl Homo sapiens CHEMBL1932592 cell-based format
CHEMBL194249 OBDepict CH 3 B N H H OH HO O NH 2 H H 3 C IC50 = 65.0 nM 244.14 CCCC[C@@H](NC(=O)[C@@H](N)CCCC)B(O)O Homo sapiens CHEMBL880437 single protein format
CHEMBL1929391 OBDepict N H N O NH H 3 C H 3 C N H O N CH 3 N N H 3 C CH 3 H 3 C ClH IC50 = 66.0 nM 476.03 Cc1c(C(=O)NCC(C)(C)NCC(=O)N2CCC[C@H]2C#N)cnc2cc(C(C)(C)C)nn12.Cl Homo sapiens CHEMBL1932592 cell-based format
CHEMBL481669 OBDepict N Cl N H H H N H N O H H F N IC50 = 66.0 nM 387.85 N#Cc1ccc(N2C[C@H]3[C@H](NCC(=O)N4C[C@@H](F)C[C@H]4C#N)[C@H]3C2)c(Cl)c1 Homo sapiens CHEMBL988356 single protein format
CHEMBL142703 OBDepict N H N O HN OH Ki = 68.0 nM 303.41 N#C[C@@H]1CCCN1C(=O)CNC12CC3CC(CC(O)(C3)C1)C2 Homo sapiens CHEMBL912989 single protein format