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Q6V1X1 | DPP8_HUMAN | Dipeptidyl peptidase 8 (DPP8)

3D structures mapped by conservation among orthologs

[ 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
CHEMBL1215374 OBDepict NH 2 CH 3 N N N Cl Cl O N H N CH 3 Ki = 0.086 nM 469.38 Cc1cccc(CNCC(=O)c2cn3c(-c4ccc(Cl)cc4Cl)c(CN)c(C)nc3n2)n1 Homo sapiens CHEMBL1218971 single protein format
CHEMBL1215376 OBDepict NH 2 CH 3 N N N Cl Cl N H O N Ki = 0.27 nM 455.35 Cc1nc2nc(C(=O)NCCc3ccccn3)cn2c(-c2ccc(Cl)cc2Cl)c1CN Homo sapiens CHEMBL1218971 single protein format
CHEMBL1215167 OBDepict H 2 N H 3 C N N N Cl Cl N O CH 3 N Ki = 0.4 nM 455.35 Cc1nc2nc(C(=O)N(C)Cc3cccnc3)cn2c(-c2ccc(Cl)cc2Cl)c1CN Homo sapiens CHEMBL1218971 single protein format
CHEMBL1215087 OBDepict NH 2 CH 3 N N N Cl Cl N O N S O O CH 3 Ki = 0.42 nM 497.41 Cc1nc2nc(C(=O)N3CCN(S(C)(=O)=O)CC3)cn2c(-c2ccc(Cl)cc2Cl)c1CN Homo sapiens CHEMBL1218971 single protein format
CHEMBL1215448 OBDepict NH 2 CH 3 N N N Cl Cl N H O N Ki = 0.58 nM 455.35 Cc1nc2nc(C(=O)NCCc3ccncc3)cn2c(-c2ccc(Cl)cc2Cl)c1CN Homo sapiens CHEMBL1218971 single protein format
CHEMBL1215375 OBDepict NH 2 CH 3 N N N Cl Cl N H O N Ki = 0.6 nM 455.35 Cc1nc2nc(C(=O)NCCc3cccnc3)cn2c(-c2ccc(Cl)cc2Cl)c1CN Homo sapiens CHEMBL1218971 single protein format
CHEMBL1215302 OBDepict NH 2 CH 3 N N N Cl Cl N H O S N N Ki = 0.65 nM 510.41 Cc1nc2nc(C(=O)Nc3nc(-c4cccnc4)cs3)cn2c(-c2ccc(Cl)cc2Cl)c1CN Homo sapiens CHEMBL1218971 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 = 0.7 nM 444.33 Cc1cc(NC(=O)c2cn3c(-c4ccc(Cl)cc4Cl)c(CN)c(C)nc3n2)n(C)n1 Homo sapiens CHEMBL1218971 single protein format
CHEMBL2441846 OBDepict CH 3 N O H 3 C N O N CH 3 Cl NH 2 Cl Ki = 0.8 nM 435.36 CCN(CC)C(=O)CN1Cc2nc(C)c(CN)c(-c3ccc(Cl)cc3Cl)c2C1=O Homo sapiens CHEMBL2444440 single protein format
CHEMBL1215236 OBDepict H 2 N H 3 C N N N Cl Cl N O CH 3 N Ki = 0.95 nM 469.38 Cc1nc2nc(C(=O)N(C)CCc3ccccn3)cn2c(-c2ccc(Cl)cc2Cl)c1CN Homo sapiens CHEMBL1218971 single protein format
CHEMBL2441955 OBDepict NH 2 CH 3 N O N Cl Cl N O Ki = 1.0 nM 447.37 Cc1nc2c(c(-c3ccc(Cl)cc3Cl)c1CN)C(=O)N(CC(=O)N1CCCCC1)C2 Homo sapiens CHEMBL2444440 single protein format
CHEMBL2441844 OBDepict NH 2 CH 3 N O N Cl Cl O HO Ki = 1.0 nM 380.23 Cc1nc2c(c(-c3ccc(Cl)cc3Cl)c1CN)C(=O)N(CC(=O)O)C2 Homo sapiens CHEMBL2444440 single protein format
CHEMBL1215299 OBDepict H 2 N H 3 C N N N Cl Cl N O CH 3 N Ki = 1.1 nM 455.35 Cc1nc2nc(C(=O)N(C)Cc3ccncc3)cn2c(-c2ccc(Cl)cc2Cl)c1CN Homo sapiens CHEMBL1218971 single protein format
CHEMBL1215164 OBDepict NH 2 CH 3 N N N Cl Cl N O O CH 3 CH 3 Ki = 1.1 nM 434.33 Cc1nc2nc(C(=O)N3COCC3(C)C)cn2c(-c2ccc(Cl)cc2Cl)c1CN Homo sapiens CHEMBL1218971 single protein format
CHEMBL2063040 OBDepict H 2 N N H NH NH 2 H N O H B H OH HO HO IC50 = 1.2 nM 287.13 N=C(N)NCCC[C@H](N)C(=O)N1C[C@@H](O)C[C@H]1B(O)O Homo sapiens CHEMBL2066844 cell-based format
CHEMBL1215301 OBDepict NH 2 CH 3 N N N Cl Cl N O H 3 C O Ki = 1.2 nM 444.32 Cc1nc2nc(C(=O)N(C)Cc3ccco3)cn2c(-c2ccc(Cl)cc2Cl)c1CN Homo sapiens CHEMBL1218971 single protein format
CHEMBL1215233 OBDepict NH 2 CH 3 N N N Cl Cl N H O N N CH 3 Ki = 1.3 nM 444.33 CCn1nccc1NC(=O)c1cn2c(-c3ccc(Cl)cc3Cl)c(CN)c(C)nc2n1 Homo sapiens CHEMBL1218971 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 CHEMBL1218971 single protein format
CHEMBL2441839 OBDepict NH 2 CH 3 N O N Cl Cl H O Ki = 1.4 nM 406.31 Cc1nc2c(c(-c3ccc(Cl)cc3Cl)c1CN)C(=O)N(C[C@@H]1CCCO1)C2 Homo sapiens CHEMBL2444440 single protein format
CHEMBL1215300 OBDepict NH 2 CH 3 N N N Cl Cl N H O O Ki = 1.4 nM 430.3 Cc1nc2nc(C(=O)NCc3ccco3)cn2c(-c2ccc(Cl)cc2Cl)c1CN Homo sapiens CHEMBL1218971 single protein format
CHEMBL2441954 OBDepict NH 2 CH 3 N O N Cl Cl N O Ki = 1.4 nM 433.34 Cc1nc2c(c(-c3ccc(Cl)cc3Cl)c1CN)C(=O)N(CC(=O)N1CCCC1)C2 Homo sapiens CHEMBL2444440 single protein format
CHEMBL67279 OBDepict CH 3 CH 3 NH 2 H N O H B HO HO Ki = 1.5 nM 214.07 CC(C)[C@H](N)C(=O)N1CCC[C@H]1B(O)O Homo sapiens CHEMBL1035670 cell-based format
CHEMBL2441837 OBDepict H 3 C O N CH 3 H O N CH 3 Cl NH 2 Cl Ki = 1.7 nM 394.3 COC[C@H](C)N1Cc2nc(C)c(CN)c(-c3ccc(Cl)cc3Cl)c2C1=O Homo sapiens CHEMBL2444440 single protein format
CHEMBL1215166 OBDepict NH 2 CH 3 N N N Cl Cl N H O N O Ki = 1.7 nM 417.26 Cc1nc2nc(C(=O)Nc3ccon3)cn2c(-c2ccc(Cl)cc2Cl)c1CN Homo sapiens CHEMBL1218971 single protein format
CHEMBL1214877 OBDepict CH 3 N O H 3 C N N N CH 3 NH 2 Cl Cl Ki = 1.7 nM 406.32 CCN(CC)C(=O)c1cn2c(-c3ccc(Cl)cc3Cl)c(CN)c(C)nc2n1 Homo sapiens CHEMBL1218971 single protein format
CHEMBL2441845 OBDepict NH 2 CH 3 N O N Cl Cl O OH Ki = 1.8 nM 394.26 Cc1nc2c(c(-c3ccc(Cl)cc3Cl)c1CN)C(=O)N(CCC(=O)O)C2 Homo sapiens CHEMBL2444440 single protein format
CHEMBL142703 OBDepict N H N O HN OH IC50 = 1.85 nM 303.41 N#C[C@@H]1CCCN1C(=O)CNC12CC3CC(CC(O)(C3)C1)C2 Homo sapiens CHEMBL4841115 single protein format
CHEMBL2441953 OBDepict H 3 C N CH 3 O N O N CH 3 Cl NH 2 Cl Ki = 2.0 nM 435.36 CCCN(C)C(=O)CN1Cc2nc(C)c(CN)c(-c3ccc(Cl)cc3Cl)c2C1=O Homo sapiens CHEMBL2444440 single protein format
CHEMBL63860 OBDepict HO B OH H N O H 2 N CH 3 H Ki = 2.0 nM 186.02 C[C@H](N)C(=O)N1CCC[C@H]1B(O)O Homo sapiens CHEMBL1035670 cell-based format
CHEMBL1215018 OBDepict NH 2 CH 3 N N N Cl Cl N O H N H S O O CH 3 Ki = 2.0 nM 497.41 Cc1nc2nc(C(=O)N3CC[C@H](NS(C)(=O)=O)C3)cn2c(-c2ccc(Cl)cc2Cl)c1CN Homo sapiens CHEMBL1218971 single protein format
CHEMBL1214942 OBDepict NH 2 CH 3 N N N Cl Cl N O Ki = 2.2 nM 404.3 Cc1nc2nc(C(=O)N3CCCC3)cn2c(-c2ccc(Cl)cc2Cl)c1CN Homo sapiens CHEMBL1218971 single protein format
CHEMBL1215373 OBDepict NH 2 CH 3 N N N Cl Cl N H O N N H Ki = 2.2 nM 444.33 Cc1nc2nc(C(=O)NCCc3c[nH]cn3)cn2c(-c2ccc(Cl)cc2Cl)c1CN Homo sapiens CHEMBL1218971 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 = 2.2 nM 470.38 Cc1nc2nc(C(=O)N(C)CCS(C)(=O)=O)cn2c(-c2ccc(Cl)cc2Cl)c1CN Homo sapiens CHEMBL1218971 single protein format
CHEMBL1214944 OBDepict H 2 N H 3 C N N N Cl Cl N H O O Ki = 2.2 nM 434.33 Cc1nc2nc(C(=O)NC3CCOCC3)cn2c(-c2ccc(Cl)cc2Cl)c1CN Homo sapiens CHEMBL1218971 single protein format
CHEMBL1215090 OBDepict NH 2 CH 3 N N N Cl Cl N H O S N H 3 C Ki = 2.3 nM 447.35 Cc1csc(NC(=O)c2cn3c(-c4ccc(Cl)cc4Cl)c(CN)c(C)nc3n2)n1 Homo sapiens CHEMBL1218971 single protein format
CHEMBL1214943 OBDepict NH 2 CH 3 N N N Cl Cl N O O Ki = 2.4 nM 420.3 Cc1nc2nc(C(=O)N3CCOCC3)cn2c(-c2ccc(Cl)cc2Cl)c1CN Homo sapiens CHEMBL1218971 single protein format
CHEMBL1215235 OBDepict NH 2 CH 3 N N N Cl Cl N H O S Ki = 2.5 nM 446.36 Cc1nc2nc(C(=O)NCc3cccs3)cn2c(-c2ccc(Cl)cc2Cl)c1CN Homo sapiens CHEMBL1218971 single protein format
CHEMBL2441829 OBDepict NH 2 CH 3 N O N Cl Cl O H 3 C Ki = 2.8 nM 428.32 COc1ccc(N2Cc3nc(C)c(CN)c(-c4ccc(Cl)cc4Cl)c3C2=O)cc1 Homo sapiens CHEMBL2444440 single protein format
CHEMBL1215016 OBDepict NH 2 CH 3 N N N Cl Cl N O N H O Ki = 2.8 nM 433.3 Cc1nc2nc(C(=O)N3CCNC(=O)C3)cn2c(-c2ccc(Cl)cc2Cl)c1CN Homo sapiens CHEMBL1218971 single protein format
CHEMBL1215163 OBDepict NH 2 CH 3 N N N Cl Cl N H O N O Ki = 2.9 nM 431.28 Cc1nc2nc(C(=O)NCc3ncco3)cn2c(-c2ccc(Cl)cc2Cl)c1CN Homo sapiens CHEMBL1218971 single protein format
CHEMBL67089 OBDepict NH 2 N O H B HO HO Ki = 3.1 nM 171.99 NCC(=O)N1CCC[C@H]1B(O)O Homo sapiens CHEMBL1035670 cell-based format
CHEMBL2441848 OBDepict CH 3 N O H 3 C N CH 3 H O N CH 3 Cl NH 2 Cl Ki = 3.8 nM 449.38 CCN(CC)C(=O)[C@@H](C)N1Cc2nc(C)c(CN)c(-c3ccc(Cl)cc3Cl)c2C1=O Homo sapiens CHEMBL2444440 single protein format
CHEMBL2441841 OBDepict NH 2 CH 3 N O N Cl Cl H N S O O Ki = 3.8 nM 509.46 Cc1nc2c(c(-c3ccc(Cl)cc3Cl)c1CN)C(=O)N(C[C@@H]1CCCN1S(=O)(=O)C1CC1)C2 Homo sapiens CHEMBL2444440 single protein format
CHEMBL2441830 OBDepict NH 2 CH 3 N O N Cl Cl O CH 3 Ki = 3.8 nM 428.32 COc1ccccc1N1Cc2nc(C)c(CN)c(-c3ccc(Cl)cc3Cl)c2C1=O Homo sapiens CHEMBL2444440 single protein format
CHEMBL1214876 OBDepict CH 3 O O N N N CH 3 NH 2 Cl Cl Ki = 3.9 nM 379.25 CCOC(=O)c1cn2c(-c3ccc(Cl)cc3Cl)c(CN)c(C)nc2n1 Homo sapiens CHEMBL1218971 single protein format
CHEMBL2441847 OBDepict CH 3 N O H 3 C N O N CH 3 Cl NH 2 Cl Ki = 3.9 nM 449.38 CCN(CC)C(=O)CCN1Cc2nc(C)c(CN)c(-c3ccc(Cl)cc3Cl)c2C1=O Homo sapiens CHEMBL2444440 single protein format
CHEMBL2441838 OBDepict NH 2 CH 3 N O N Cl Cl H O Ki = 3.9 nM 406.31 Cc1nc2c(c(-c3ccc(Cl)cc3Cl)c1CN)C(=O)N(C[C@H]1CCCO1)C2 Homo sapiens CHEMBL2444440 single protein format
CHEMBL94278 OBDepict N H N O H 2 N H Ki = 4.0 nM 221.3 N#C[C@@H]1CCCN1C(=O)[C@@H](N)C1CCCC1 Homo sapiens CHEMBL912988 single protein format
CHEMBL1215165 OBDepict NH 2 CH 3 N N N Cl Cl N H O N N H 3 C Ki = 4.1 nM 430.3 Cc1nc2nc(C(=O)Nc3ccn(C)n3)cn2c(-c2ccc(Cl)cc2Cl)c1CN Homo sapiens CHEMBL1218971 single protein format
CHEMBL2441951 OBDepict CH 3 N H O N O N CH 3 Cl NH 2 Cl Ki = 4.3 nM 393.27 CNC(=O)CN1Cc2nc(C)c(CN)c(-c3ccc(Cl)cc3Cl)c2C1=O Homo sapiens CHEMBL2444440 single protein format
CHEMBL1215234 OBDepict NH 2 CH 3 N N N Cl Cl N H O N CH 3 N Ki = 4.5 nM 430.3 Cc1nc2nc(C(=O)Nc3ccnn3C)cn2c(-c2ccc(Cl)cc2Cl)c1CN Homo sapiens CHEMBL1218971 single protein format
CHEMBL2441952 OBDepict NH 2 CH 3 N O N Cl Cl N O H 3 C CH 3 Ki = 4.9 nM 407.3 Cc1nc2c(c(-c3ccc(Cl)cc3Cl)c1CN)C(=O)N(CC(=O)N(C)C)C2 Homo sapiens CHEMBL2444440 single protein format
CHEMBL2441833 OBDepict NH 2 CH 3 N O N Cl Cl N N CH 3 Ki = 5.2 nM 416.31 Cc1nc2c(c(-c3ccc(Cl)cc3Cl)c1CN)C(=O)N(Cc1ccn(C)n1)C2 Homo sapiens CHEMBL2444440 single protein format
CHEMBL2441828 OBDepict NH 2 CH 3 N O N Cl Cl Ki = 5.2 nM 398.29 Cc1nc2c(c(-c3ccc(Cl)cc3Cl)c1CN)C(=O)N(c1ccccc1)C2 Homo sapiens CHEMBL2444440 single protein format
CHEMBL2441836 OBDepict CH 3 O N O N CH 3 Cl NH 2 Cl Ki = 5.4 nM 380.28 COCCN1Cc2nc(C)c(CN)c(-c3ccc(Cl)cc3Cl)c2C1=O Homo sapiens CHEMBL2444440 single protein format
CHEMBL2441831 OBDepict NH 2 CH 3 N O N Cl N Cl N CH 3 Ki = 5.5 nM 402.29 Cc1nc2c(c(-c3ccc(Cl)cc3Cl)c1CN)C(=O)N(c1ccn(C)n1)C2 Homo sapiens CHEMBL2444440 single protein format
CHEMBL2063033 OBDepict OH B OH H N H HO O H NH IC50 = 5.9 nM 228.06 O=C([C@@H]1CCCN1)N1C[C@@H](O)C[C@H]1B(O)O Homo sapiens CHEMBL2066844 cell-based format
CHEMBL2441835 OBDepict NH 2 CH 3 N O N Cl Cl N O H 3 C Ki = 6.0 nM 417.3 Cc1cc(CN2Cc3nc(C)c(CN)c(-c4ccc(Cl)cc4Cl)c3C2=O)no1 Homo sapiens CHEMBL2444440 single protein format
CHEMBL2441832 OBDepict H 2 N H 3 C N O N Cl Cl Ki = 6.4 nM 412.32 Cc1nc2c(c(-c3ccc(Cl)cc3Cl)c1CN)C(=O)N(Cc1ccccc1)C2 Homo sapiens CHEMBL2444440 single protein format
CHEMBL2441834 OBDepict NH 2 CH 3 N O N Cl Cl N O Ki = 8.9 nM 403.27 Cc1nc2c(c(-c3ccc(Cl)cc3Cl)c1CN)C(=O)N(Cc1ncco1)C2 Homo sapiens CHEMBL2444440 single protein format
CHEMBL2063024 OBDepict HO B OH H N H HO O H 2 N CH 3 H IC50 = 9.2 nM 202.02 C[C@H](N)C(=O)N1C[C@@H](O)C[C@H]1B(O)O Homo sapiens CHEMBL2066844 cell-based format
CHEMBL471547 OBDepict CH 3 CH 3 H NH 2 H N O H H N N + N _ N IC50 = 11.0 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 CHEMBL938684 single protein format
CHEMBL494497 OBDepict OH O NH 2 H N O H B OH HO Ki = 11.0 nM 244.06 N[C@@H](CCC(=O)O)C(=O)N1CCC[C@H]1B(O)O Homo sapiens CHEMBL1035670 cell-based format
CHEMBL1814633 OBDepict H NH 2 N O N O N F F IC50 = 12.0 nM 504.58 N[C@@H](CC(=O)N1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1)C(=O)N1Cc2ccccc2C1 Homo sapiens CHEMBL1816906 single protein format
CHEMBL1929394 OBDepict N H N O HN CH 3 CH 3 N H O CH 3 N CH 3 N N ClH IC50 = 12.0 nM 510.04 Cc1nc2cc(-c3ccccc3)nn2c(C)c1C(=O)NCC(C)(C)NCC(=O)N1CCC[C@H]1C#N.Cl Homo sapiens CHEMBL1932591 cell-based format
CHEMBL391466 OBDepict O N H NH S H N N + N O _ O IC50 = 12.2 nM 391.5 O=C([C@@H]1C[C@H](N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CN1)N1CCSC1 Homo sapiens CHEMBL2060148 single protein format
CHEMBL1215015 OBDepict NH 2 CH 3 N N N Cl Cl N H O N Ki = 13.0 nM 461.4 Cc1nc2nc(C(=O)NCCN3CCCCC3)cn2c(-c2ccc(Cl)cc2Cl)c1CN Homo sapiens CHEMBL1218971 single protein format
CHEMBL2441950 OBDepict NH 2 CH 3 N O N Cl Cl O H 2 N Ki = 13.0 nM 379.25 Cc1nc2c(c(-c3ccc(Cl)cc3Cl)c1CN)C(=O)N(CC(N)=O)C2 Homo sapiens CHEMBL2444440 single protein format
CHEMBL63860 OBDepict HO B OH H N O H 2 N CH 3 H IC50 = 13.0 nM 186.02 C[C@H](N)C(=O)N1CCC[C@H]1B(O)O Homo sapiens CHEMBL2066844 cell-based format
CHEMBL472128 OBDepict N H N H N O + N H 2 N H _ N N H IC50 = 13.8 nM 391.48 N#C[C@@H]1C[C@H](N=[N+]=[N-])CN1C(=O)[C@@H](N)CCCCNc1ccc2ccccc2c1 Homo sapiens CHEMBL938684 single protein format
CHEMBL367368 OBDepict NH 2 N O N O N F F IC50 = 14.0 nM 504.58 NC(CC(=O)N1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1)C(=O)N1Cc2ccccc2C1 Homo sapiens CHEMBL833039 single protein format
CHEMBL195189 OBDepict CH 3 CH 3 NH 2 H N O H B HO HO IC50 = 15.0 nM 214.07 CC(C)[C@H](N)C(=O)N1CCC[C@@H]1B(O)O Homo sapiens CHEMBL880436 single protein format
CHEMBL362018 OBDepict N H N O H 2 N H N O N F F IC50 = 16.0 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 CHEMBL833039 single protein format
CHEMBL2063031 OBDepict HO B HO H N H OH O H 2 N H CH 3 CH 3 CH 3 IC50 = 17.0 nM 244.1 CC(C)(C)[C@H](N)C(=O)N1C[C@@H](O)C[C@H]1B(O)O Homo sapiens CHEMBL2066844 cell-based format
CHEMBL67279 OBDepict CH 3 CH 3 NH 2 H N O H B HO HO IC50 = 17.0 nM 214.07 CC(C)[C@H](N)C(=O)N1CCC[C@H]1B(O)O Homo sapiens CHEMBL902272 single protein format
CHEMBL179289 OBDepict N H N O H 2 N H N O IC50 = 19.0 nM 326.4 N#C[C@@H]1CCCN1C(=O)[C@@H](N)CC(=O)N1CCc2ccccc2C1 Homo sapiens CHEMBL833039 single protein format
CHEMBL369883 OBDepict N H N O NH 2 H N O O O H 3 C CH 3 IC50 = 19.0 nM 386.45 COc1cc2c(cc1OC)CN(C(=O)C[C@H](N)C(=O)N1CCC[C@H]1C#N)CC2 Homo sapiens CHEMBL828523 single protein format
CHEMBL2063037 OBDepict O N H N H H B H HO H OH HO OH IC50 = 19.0 nM 244.06 O=C([C@@H]1C[C@H](O)CN1)N1C[C@@H](O)C[C@H]1B(O)O Homo sapiens CHEMBL2066844 cell-based format
CHEMBL471747 OBDepict _ N + N N H N H O N NH 2 H N H O O IC50 = 21.0 nM 399.46 N#C[C@@H]1C[C@H](N=[N+]=[N-])CN1C(=O)[C@@H](N)CCCCNC(=O)OCc1ccccc1 Homo sapiens CHEMBL938684 single protein format
CHEMBL2063026 OBDepict HO B OH H N H F O H 2 N CH 3 H IC50 = 23.0 nM 204.01 C[C@H](N)C(=O)N1C[C@H](F)C[C@H]1B(O)O Homo sapiens CHEMBL2066844 cell-based format
CHEMBL1082348 OBDepict H 3 C O H H H H NH N O H N ClH IC50 = 23.0 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 CHEMBL1120124 single protein format
CHEMBL440021 OBDepict H NH 2 N O IC50 = 24.0 nM 258.36 N[C@H](C(=O)N1Cc2ccccc2C1)C1CCCCC1 Homo sapiens CHEMBL833039 single protein format
CHEMBL2063035 OBDepict O N H N H H B H HO H OH HO OH IC50 = 27.0 nM 244.06 O=C([C@@H]1C[C@@H](O)CN1)N1C[C@@H](O)C[C@H]1B(O)O Homo sapiens CHEMBL2066844 cell-based format
CHEMBL307636 OBDepict N H N O H 2 N H IC50 = 27.0 nM 235.33 N#C[C@@H]1CCCN1C(=O)[C@@H](N)C1CCCCC1 Homo sapiens CHEMBL833039 single protein format
CHEMBL364922 OBDepict N + N N N O H 2 N H N O H N IC50 = 28.0 nM 382.45 N#Cc1ccc[n+](N2CCN(C(=O)C[C@H](N)C(=O)N3CCC[C@H]3C#N)CC2)c1 Homo sapiens CHEMBL828523 single protein format
CHEMBL1814753 OBDepict O N H 2 N H N N O O ClH IC50 = 29.0 nM 519.05 Cl.N[C@@H](CC(=O)N1CCN(C(=O)c2cccc(-c3ccccc3)c2)CC1)C(=O)N1Cc2ccccc2C1 Homo sapiens CHEMBL1816906 single protein format
CHEMBL194852 OBDepict CH 3 H 2 N H N O H B HO HO IC50 = 30.0 nM 228.1 CCCC[C@H](N)C(=O)N1CCC[C@@H]1B(O)O Homo sapiens CHEMBL880436 single protein format
CHEMBL3799388 OBDepict OH O F F F CH 3 N O H 2 N H N O N F F IC50 = 37.0 nM 584.59 CC1CCN(C(=O)[C@@H](N)CC(=O)N2CCN(C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)C1.O=C(O)C(F)(F)F Homo sapiens CHEMBL3802982 cell-based format
CHEMBL241253 OBDepict N N N N H HN H N O S IC50 = 40.0 nM 372.5 N#Cc1ccc(N2CCN([C@@H]3CN[C@H](C(=O)N4CCSC4)C3)CC2)nc1 Homo sapiens CHEMBL2149804 cell-based format
CHEMBL2063032 OBDepict HO B HO H N H OH O H 2 N H CH 3 CH 3 CH 3 IC50 = 43.0 nM 244.1 CC(C)(C)[C@H](N)C(=O)N1C[C@H](O)C[C@H]1B(O)O Homo sapiens CHEMBL2066844 cell-based format
CHEMBL487872 OBDepict O N H 2 N H HN IC50 = 43.0 nM 373.5 N[C@@H](CCCCNc1ccc2ccccc2c1)C(=O)N1Cc2ccccc2C1 Homo sapiens CHEMBL938680 single protein format
CHEMBL1929392 OBDepict N H N O NH H 3 C H 3 C N H O N CH 3 N N ClH IC50 = 43.0 nM 496.02 Cc1c(C(=O)NCC(C)(C)NCC(=O)N2CCC[C@H]2C#N)cnc2cc(-c3ccccc3)nn12.Cl Homo sapiens CHEMBL1932591 cell-based 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 = 45.0 nM 447.97 Cc1cc2nc(C)c(C(=O)NCC(C)(C)NCC(=O)N3CCC[C@H]3C#N)c(C)n2n1.Cl Homo sapiens CHEMBL1932591 cell-based format
CHEMBL4176189 OBDepict CH 3 H 3 C H 2 N H N O B OH HO IC50 = 51.0 nM 214.07 CC(C)[C@H](N)C(=O)N1CCCC1B(O)O Homo sapiens CHEMBL4132760 single protein format
CHEMBL510594 OBDepict CH 3 CH 3 NH 2 H N O S H B HO HO IC50 = 51.0 nM 232.11 CC(C)[C@H](N)C(=O)N1CSC[C@H]1B(O)O Homo sapiens CHEMBL938684 single protein format
CHEMBL2063029 OBDepict OH O NH 2 H N O H B H HO OH HO IC50 = 54.0 nM 260.05 N[C@@H](CCC(=O)O)C(=O)N1C[C@@H](O)C[C@H]1B(O)O Homo sapiens CHEMBL2066844 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 = 58.0 nM 435.92 Cc1cc2ncc(C(=O)NCC(C)(C)NCC(=O)N3CCC[C@H]3C#N)c(O)n2n1.Cl Homo sapiens CHEMBL1932591 cell-based format
CHEMBL1910125 OBDepict H 2 N H 3 C N N Cl O Cl N H O N H 3 C N Ki = 60.0 nM 459.34 Cc1nc2c(c(-c3ccc(Cl)cc3Cl)c1CN)CN(CC(=O)Nc1ccnn1C)C2=O Homo sapiens CHEMBL1912808 single protein format
CHEMBL3216066 OBDepict O N H 2 N H N N O ClH ClH IC50 = 63.0 nM 515.49 Cl.Cl.N[C@@H](CC(=O)N1CCN(Cc2ccc3ccccc3c2)CC1)C(=O)N1Cc2ccccc2C1 Homo sapiens CHEMBL1816906 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 = 68.0 nM 419.92 Cc1cc2ncc(C(=O)NCC(C)(C)NCC(=O)N3CCC[C@H]3C#N)cn2n1.Cl Homo sapiens CHEMBL1932591 cell-based format