HOME LIGAND hPROTEOME OTHERS DOCUMENT

P27487 | DPP4_HUMAN | Dipeptidyl peptidase 4 (DPP4)

3D structures mapped by conservation among orthologs

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

download pymol session

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

download pymol session

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

download pymol session



[ 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
CHEMBL4113723 OBDepict H 3 C N N N O N N H 3 C H H 2 N O S N F IC50 = 0.05 nM 481.56 CC#CCn1c(N2CCC[C@@H](N)C2)nc2c1c(=O)n(Cc1nc3cc(F)ccc3s1)c(=O)n2C Homo sapiens CHEMBL3887953 single protein format
CHEMBL98869 OBDepict H NH 2 N O N H Cl Ki = 0.082 nM 309.84 N[C@@H](CCNCc1ccc(Cl)cc1)C(=O)N1CCCCC1 Homo sapiens CHEMBL856332 single protein format
CHEMBL186877 OBDepict CH 3 O O H 3 C N N N CH 3 H 3 C N Cl H 3 C CH 3 Cl IC50 = 0.1 nM 461.39 COc1cc(OC)cc(-c2nc(-c3ccc(Cl)cc3Cl)c(CN(C)C)c(N(C)C)n2)c1 Homo sapiens CHEMBL827095 single protein format
CHEMBL4111229 OBDepict H 3 C N N N O N N H 3 C H H 2 N O N S IC50 = 0.1 nM 463.57 CC#CCn1c(N2CCC[C@@H](N)C2)nc2c1c(=O)n(Cc1nc3ccccc3s1)c(=O)n2C Homo sapiens CHEMBL3887953 single protein format
CHEMBL34062 OBDepict NH 2 NH 2 N N Cl Cl O O CH 3 CH 3 IC50 = 0.1 nM 405.29 COc1cc(OC)cc(-c2nc(N)c(CN)c(-c3ccc(Cl)cc3Cl)n2)c1 Homo sapiens CHEMBL1912790 single protein format
CHEMBL4448186 OBDepict CH 3 N N N O N N CH 3 H NH 2 O O HO Cl IC50 = 0.1 nM 484.94 CC#CCn1c(N2CCC[C@@H](N)C2)nc2c1c(=O)n(Cc1ccc(Cl)cc1C(=O)O)c(=O)n2C Homo sapiens CHEMBL4368093 cell-based format
CHEMBL3806052 OBDepict F F H O H H 2 N H N N N N N IC50 = 0.12 nM 372.38 N[C@H]1C[C@@H](N2Cc3nn4nccnc4c3C2)CO[C@@H]1c1cc(F)ccc1F Homo sapiens CHEMBL3807661 single protein format
CHEMBL456420 OBDepict N N N H H HN N O H N IC50 = 0.13 nM 334.38 N#Cc1ccc(N[C@@H]2CNC(C(=O)N3CCC[C@H]3C#N)C2)cc1C#N Homo sapiens CHEMBL1022259 single protein format
CHEMBL370046 OBDepict N N N H H HN H N O H N IC50 = 0.13 nM 334.38 N#Cc1ccc(N[C@@H]2CN[C@H](C(=O)N3CCC[C@H]3C#N)C2)cc1C#N Homo sapiens CHEMBL876981 single protein format
CHEMBL194717 OBDepict N Cl N H H N H H N O H N IC50 = 0.13 nM 343.82 N#Cc1ccc(N[C@@H]2CN[C@H](C(=O)N3CCC[C@H]3C#N)C2)cc1Cl Homo sapiens CHEMBL876981 single protein format
CHEMBL3805966 OBDepict CH 3 N N N N H H H 2 N H F F F IC50 = 0.14 nM 401.44 Cc1cc2ncc3c(n2n1)CN([C@H]1CC[C@H](c2cc(F)c(F)cc2F)[C@@H](N)C1)C3 Homo sapiens CHEMBL3807661 single protein format
CHEMBL445437 OBDepict N Cl N H H HN N O H N IC50 = 0.15 nM 343.82 N#Cc1ccc(N[C@@H]2CNC(C(=O)N3CCC[C@H]3C#N)C2)cc1Cl Homo sapiens CHEMBL1022259 single protein format
CHEMBL3644459 OBDepict F F S H NH 2 H N N N H O NH 2 IC50 = 0.17 nM 379.44 NC(=O)c1[nH]nc2c1CN([C@H]1CSC(c3cc(F)ccc3F)[C@@H](N)C1)C2 Homo sapiens CHEMBL3705729 assay format
CHEMBL4465482 OBDepict CH 3 N N N O N N CH 3 H NH 2 O Cl O HO IC50 = 0.18 nM 484.94 CC#CCn1c(N2CCC[C@@H](N)C2)nc2c1c(=O)n(Cc1cc(Cl)ccc1C(=O)O)c(=O)n2C Homo sapiens CHEMBL4368093 cell-based format
CHEMBL1203953 OBDepict F H N N N O N NH 2 H F F F F F F ClH IC50 = 0.18 nM 551.89 Cl.N[C@@H](CC(=O)N1CCn2c(nnc2C(F)(F)F)[C@H]1Cc1ccc(F)cc1)Cc1cc(F)c(F)cc1F Homo sapiens CHEMBL944056 single protein format
CHEMBL370540 OBDepict N H N O H HN H N H + N O _ O IC50 = 0.18 nM 329.36 N#C[C@@H]1CCCN1C(=O)[C@@H]1C[C@H](Nc2ccc([N+](=O)[O-])cc2)CN1 Homo sapiens CHEMBL876981 single protein format
CHEMBL371143 OBDepict N N H H N H H N O H N IC50 = 0.19 nM 309.37 N#Cc1ccc(N[C@@H]2CN[C@H](C(=O)N3CCC[C@H]3C#N)C2)cc1 Homo sapiens CHEMBL876981 single protein format
CHEMBL2147704 OBDepict O N H NH S H N N N N N N IC50 = 0.2 nM 414.54 O=C([C@@H]1C[C@H](N2CCN(c3nnnn3-c3ccccc3)CC2)CN1)N1CCSC1 Homo sapiens CHEMBL2149800 single protein format
CHEMBL4109453 OBDepict H 3 C N N N O N N H 3 C H H 2 N O S N Cl IC50 = 0.2 nM 498.01 CC#CCn1c(N2CCC[C@@H](N)C2)nc2c1c(=O)n(Cc1nc3cc(Cl)ccc3s1)c(=O)n2C Homo sapiens CHEMBL3887953 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 = 0.2 nM 497.41 Cc1nc2nc(C(=O)N3CC[C@H](NS(C)(=O)=O)C3)cn2c(-c2ccc(Cl)cc2Cl)c1CN Homo sapiens CHEMBL1218970 single protein format
CHEMBL402163 OBDepict F NH 2 H H O N N Cl S O O CH 3 OH O F F F IC50 = 0.21 nM 567.99 CS(=O)(=O)c1ccc(-c2noc([C@@H](CC3CC3)[C@H](N)C(F)=C3CCCC3)n2)c(Cl)c1.O=C(O)C(F)(F)F Homo sapiens CHEMBL933456 assay format
CHEMBL4461587 OBDepict CH 3 N N N O N N CH 3 H NH 2 O O HO Br IC50 = 0.22 nM 529.4 CC#CCn1c(N2CCC[C@@H](N)C2)nc2c1c(=O)n(Cc1ccc(Br)cc1C(=O)O)c(=O)n2C Homo sapiens CHEMBL4368093 cell-based format
CHEMBL3805629 OBDepict CH 3 N N N N N H H H 2 N H F F F IC50 = 0.23 nM 402.42 Cc1nc2ncc3c(n2n1)CN([C@H]1CC[C@H](c2cc(F)c(F)cc2F)[C@@H](N)C1)C3 Homo sapiens CHEMBL3807661 single protein format
CHEMBL3806041 OBDepict F F H F H NH 2 H N N N N N IC50 = 0.24 nM 428.46 N[C@H]1C[C@@H](N2Cc3cnc4nnc(C5CC5)n4c3C2)CC[C@@H]1c1cc(F)c(F)cc1F Homo sapiens CHEMBL3807661 single protein format
CHEMBL195420 OBDepict N N N H H N H H N O H N IC50 = 0.25 nM 310.36 N#Cc1ccc(N[C@@H]2CN[C@H](C(=O)N3CCC[C@H]3C#N)C2)nc1 Homo sapiens CHEMBL876981 single protein format
CHEMBL2147703 OBDepict O N H NH S H N N N N IC50 = 0.26 nM 412.56 O=C([C@@H]1C[C@H](N2CCN(c3nccn3-c3ccccc3)CC2)CN1)N1CCSC1 Homo sapiens CHEMBL2149800 single protein format
CHEMBL1910126 OBDepict NH 2 CH 3 N N Cl O Cl N H O N Ki = 0.26 nM 470.36 Cc1nc2c(c(-c3ccc(Cl)cc3Cl)c1CN)CN(CC(=O)NCc1cccnc1)C2=O Homo sapiens CHEMBL1912807 single protein format
CHEMBL1910117 OBDepict NH 2 CH 3 N N Cl O Cl N O H 3 C H 3 C Ki = 0.27 nM 407.3 Cc1nc2c(c(-c3ccc(Cl)cc3Cl)c1CN)CN(CC(=O)N(C)C)C2=O Homo sapiens CHEMBL1912807 single protein format
CHEMBL433811 OBDepict N H N O H NH H N H O O H 3 C H 3 C IC50 = 0.28 nM 344.42 COc1ccc(N[C@@H]2CN[C@H](C(=O)N3CCC[C@H]3C#N)C2)cc1OC Homo sapiens CHEMBL876981 single protein format
CHEMBL217702 OBDepict O N H H N N O N H 2 N H F F F IC50 = 0.29 nM 421.42 N[C@@H](CC(=O)N1CCCNC(=O)[C@H]1Cc1cnccn1)Cc1cc(F)c(F)cc1F Homo sapiens CHEMBL907105 single protein format
CHEMBL1910119 OBDepict NH 2 CH 3 N N Cl O Cl N O O H 2 N Ki = 0.29 nM 490.39 Cc1nc2c(c(-c3ccc(Cl)cc3Cl)c1CN)CN(CC(=O)N1CCC(C(N)=O)CC1)C2=O Homo sapiens CHEMBL1912807 single protein format
CHEMBL195189 OBDepict CH 3 CH 3 NH 2 H N O H B HO HO IC50 = 0.3 nM 214.07 CC(C)[C@H](N)C(=O)N1CCC[C@@H]1B(O)O Homo sapiens CHEMBL881764 single protein format
CHEMBL2147712 OBDepict F N N N CH 3 N H HN H N O S IC50 = 0.3 nM 444.58 Cc1cc(N2CCN([C@@H]3CN[C@H](C(=O)N4CCSC4)C3)CC2)n(-c2cccc(F)c2)n1 Homo sapiens CHEMBL2149800 single protein format
CHEMBL3736137 OBDepict F F H O H H 2 N H N N H N N H S O O N N H IC50 = 0.3 nM 465.49 N[C@H]1C[C@@H](N2Cc3[nH]nc(NS(=O)(=O)c4c[nH]cn4)c3C2)CO[C@@H]1c1cc(F)ccc1F Homo sapiens CHEMBL3737789 cell-based format
CHEMBL305170 OBDepict CH 3 CH 3 NH 2 H N O H B HO HO IC50 = 0.3 nM 214.07 CC(C)[C@@H](N)C(=O)N1CCC[C@H]1B(O)O Homo sapiens CHEMBL880567 single protein format
CHEMBL2063040 OBDepict H 2 N N H NH NH 2 H N O H B H OH HO HO IC50 = 0.3 nM 287.13 N=C(N)NCCC[C@H](N)C(=O)N1C[C@@H](O)C[C@H]1B(O)O Homo sapiens CHEMBL2066843 cell-based format
CHEMBL1215088 OBDepict NH 2 CH 3 N N N Cl Cl N O H 3 C S O O CH 3 Ki = 0.3 nM 470.38 Cc1nc2nc(C(=O)N(C)CCS(C)(=O)=O)cn2c(-c2ccc(Cl)cc2Cl)c1CN Homo sapiens CHEMBL1218970 single protein format
CHEMBL2441846 OBDepict CH 3 N O H 3 C N O N CH 3 Cl NH 2 Cl Ki = 0.3 nM 435.36 CCN(CC)C(=O)CN1Cc2nc(C)c(CN)c(-c3ccc(Cl)cc3Cl)c2C1=O Homo sapiens CHEMBL2444439 single protein format
CHEMBL1910123 OBDepict NH 2 CH 3 N N Cl O Cl N O Ki = 0.3 nM 433.34 Cc1nc2c(c(-c3ccc(Cl)cc3Cl)c1CN)CN(CC(=O)N1CCCC1)C2=O Homo sapiens CHEMBL1912807 single protein format
CHEMBL1910124 OBDepict NH 2 CH 3 N N Cl O Cl N O O Ki = 0.31 nM 449.34 Cc1nc2c(c(-c3ccc(Cl)cc3Cl)c1CN)CN(CC(=O)N1CCOCC1)C2=O Homo sapiens CHEMBL1912807 single protein format
CHEMBL2147709 OBDepict O N H NH S H N N N N F F F IC50 = 0.32 nM 480.56 O=C([C@@H]1C[C@H](N2CCN(c3cc(C(F)(F)F)nn3-c3ccccc3)CC2)CN1)N1CCSC1 Homo sapiens CHEMBL2149800 single protein format
CHEMBL195063 OBDepict N H N O H NH H N H O H 3 C IC50 = 0.33 nM 314.39 COc1ccc(N[C@@H]2CN[C@H](C(=O)N3CCC[C@H]3C#N)C2)cc1 Homo sapiens CHEMBL876981 single protein format
CHEMBL1651766 OBDepict N N N N O S H NH 2 IC50 = 0.33 nM 365.46 N#Cc1ccccc1Cn1c(N2CCC[C@@H](N)C2)nc2ccsc2c1=O Homo sapiens CHEMBL1663348 single protein format
CHEMBL1819089 OBDepict N N F N O N N CH 3 H 3 C H NH 2 O ClH IC50 = 0.34 nM 446.91 Cl.Cn1c(=O)c2c(cc(N3CCC[C@@H](N)C3)n2Cc2cc(F)ccc2C#N)n(C)c1=O Homo sapiens CHEMBL1821018 single protein format
CHEMBL3686733 OBDepict HO B OH H N S H 2 N CH 3 H IC50 = 0.35 nM 202.09 C[C@H](N)C(=S)N1CCC[C@H]1B(O)O Homo sapiens CHEMBL3706075 single protein format
CHEMBL2058971 OBDepict O N H NH S H N N N F F F IC50 = 0.37 nM 465.55 O=C([C@@H]1C[C@H](N2CCN(c3cc(C(F)(F)F)nc4ccccc34)CC2)CN1)N1CCSC1 Homo sapiens CHEMBL2060146 single protein format
CHEMBL2147777 OBDepict O N H HN S H N N N N CH 3 IC50 = 0.37 nM 426.59 Cc1cc(N2CCN([C@@H]3CN[C@H](C(=O)N4CCSC4)C3)CC2)n(-c2ccccc2)n1 Homo sapiens CHEMBL2149800 single protein format
CHEMBL1910116 OBDepict H 3 C NH O N O N CH 3 Cl NH 2 Cl Ki = 0.37 nM 393.27 CNC(=O)CN1Cc2c(nc(C)c(CN)c2-c2ccc(Cl)cc2Cl)C1=O Homo sapiens CHEMBL1912807 single protein format
CHEMBL3675618 OBDepict CH 3 N N N O N N H NH 2 N N N H 3 C IC50 = 0.38 nM 483.58 CC#CCn1c(N2CCC[C@@H](N)C2)nc2c1C(=O)N(Cc1nc(C)c3ccccc3n1)C1=NCCN12 Homo sapiens CHEMBL3705186 single protein format
CHEMBL4068446 OBDepict NH 2 N CH 3 CH 3 CH 3 S N O HO ClH ClH IC50 = 0.38 nM 504.48 Cc1ccc(-c2c(CN)c(CC(C)C)nc3ccc(-c4nc(C(=O)O)cs4)cc23)cc1.Cl.Cl Homo sapiens CHEMBL4036397 assay format
CHEMBL564249 OBDepict Cl H 2 N H N O H HN O S O O CH 3 IC50 = 0.38 nM 478.01 CS(=O)(=O)c1cccc(C(=O)NC[C@@H]2CCCN2C(=O)C[C@H](N)Cc2cccc(Cl)c2)c1 Homo sapiens CHEMBL1058857 single protein format
CHEMBL2058762 OBDepict N N N H N N H HN H N O S IC50 = 0.39 nM 411.54 N#Cc1ccc2[nH]c(N3CCN([C@@H]4CN[C@H](C(=O)N5CCSC5)C4)CC3)nc2c1 Homo sapiens CHEMBL2060146 single protein format
CHEMBL2441841 OBDepict NH 2 CH 3 N O N Cl Cl H N S O O Ki = 0.4 nM 509.46 Cc1nc2c(c(-c3ccc(Cl)cc3Cl)c1CN)C(=O)N(C[C@@H]1CCCN1S(=O)(=O)C1CC1)C2 Homo sapiens CHEMBL2444439 single protein format
CHEMBL1910125 OBDepict H 2 N H 3 C N N Cl O Cl N H O N H 3 C N Ki = 0.4 nM 459.34 Cc1nc2c(c(-c3ccc(Cl)cc3Cl)c1CN)CN(CC(=O)Nc1ccnn1C)C2=O Homo sapiens CHEMBL1912807 single protein format
CHEMBL67089 OBDepict NH 2 N O H B HO HO Ki = 0.4 nM 171.99 NCC(=O)N1CCC[C@H]1B(O)O Homo sapiens CHEMBL1035671 assay format
CHEMBL2441954 OBDepict NH 2 CH 3 N O N Cl Cl N O Ki = 0.4 nM 433.34 Cc1nc2c(c(-c3ccc(Cl)cc3Cl)c1CN)C(=O)N(CC(=O)N1CCCC1)C2 Homo sapiens CHEMBL2444439 single protein format
CHEMBL2441953 OBDepict H 3 C N CH 3 O N O N CH 3 Cl NH 2 Cl Ki = 0.4 nM 435.36 CCCN(C)C(=O)CN1Cc2nc(C)c(CN)c(-c3ccc(Cl)cc3Cl)c2C1=O Homo sapiens CHEMBL2444439 single protein format
CHEMBL557176 OBDepict O N H 2 N H N N N N F F F F F F ClH IC50 = 0.4 nM 534.89 Cl.N[C@@H](CC(=O)N1CCn2c(nnc2C(F)(F)F)C1Cc1ccccn1)Cc1cc(F)c(F)cc1F Homo sapiens CHEMBL944056 single protein format
CHEMBL3735843 OBDepict F F H O H H 2 N H N N H N S O O IC50 = 0.4 nM 460.51 N[C@H]1C[C@@H](N2Cc3[nH]nc(S(=O)(=O)c4ccccc4)c3C2)CO[C@@H]1c1cc(F)ccc1F Homo sapiens CHEMBL3737789 cell-based format
CHEMBL3697942 OBDepict F F N H NH 2 F H 3 C H H N N N S O O H 3 C IC50 = 0.4 nM 457.52 C[C@H](F)CN1C[C@H](N2Cc3cn(S(C)(=O)=O)nc3C2)C[C@H](N)C1c1cc(F)ccc1F Homo sapiens CHEMBL3705360 assay format
CHEMBL2425893 OBDepict H 3 C N N O N O H H 2 N N Cl IC50 = 0.4 nM 437.93 CC#CCn1c(N2CCC[C@@H](N)C2)cc(=O)n(Cc2ccc3ccc(Cl)cc3n2)c1=O Homo sapiens CHEMBL2429190 single protein format
CHEMBL207068 OBDepict N H N O H N H H O Br O O Ki = 0.41 nM 422.28 N#C[C@@H]1CCCN1C(=O)[C@@H]1CC[C@H](COc2cc(Br)c3c(c2)OCO3)N1 Homo sapiens CHEMBL871249 single protein format
CHEMBL93208 OBDepict H NH 2 N O CH 3 CH 3 S H N Ki = 0.41 nM 227.33 CCC(C)[C@H](N)C(=O)N1CSC[C@H]1C#N Homo sapiens CHEMBL664933 single protein format
CHEMBL2058758 OBDepict N N S N N H HN H N O S IC50 = 0.42 nM 428.59 N#Cc1ccc2sc(N3CCN([C@@H]4CN[C@H](C(=O)N5CCSC5)C4)CC3)nc2c1 Homo sapiens CHEMBL2060146 single protein format
CHEMBL1910118 OBDepict CH 3 N O H 3 C N O N CH 3 Cl NH 2 Cl Ki = 0.43 nM 435.36 CCN(CC)C(=O)CN1Cc2c(nc(C)c(CN)c2-c2ccc(Cl)cc2Cl)C1=O Homo sapiens CHEMBL1912807 single protein format
CHEMBL539352 OBDepict H 3 C O N N N O N H 2 N H F F F F F F ClH IC50 = 0.43 nM 563.93 COc1ccc(CC2c3nnc(C(F)(F)F)n3CCN2C(=O)C[C@H](N)Cc2cc(F)c(F)cc2F)cc1.Cl Homo sapiens CHEMBL944056 single protein format
CHEMBL4588692 OBDepict H 3 C N N N O N N CH 3 H H 2 N O O O OH CH 3 IC50 = 0.44 nM 480.53 CC#CCn1c(N2CCC[C@@H](N)C2)nc2c1c(=O)n(Cc1cc(OC)ccc1C(=O)O)c(=O)n2C Homo sapiens CHEMBL4368093 cell-based format
CHEMBL379725 OBDepict N H N O H N H H O N Cl O HO Ki = 0.45 nM 378.82 N#C[C@@H]1CCCN1C(=O)[C@@H]1CC[C@H](COc2ncc(C(=O)O)cc2Cl)N1 Homo sapiens CHEMBL871249 single protein format
CHEMBL1910121 OBDepict NH 2 CH 3 N N Cl O Cl N O N S O O CH 3 Ki = 0.46 nM 526.45 Cc1nc2c(c(-c3ccc(Cl)cc3Cl)c1CN)CN(CC(=O)N1CCN(S(C)(=O)=O)CC1)C2=O Homo sapiens CHEMBL1912807 single protein format
CHEMBL3644460 OBDepict N N H N N H S H NH 2 F F IC50 = 0.46 nM 361.42 N#Cc1[nH]nc2c1CN([C@H]1CSC(c3cc(F)ccc3F)[C@@H](N)C1)C2 Homo sapiens CHEMBL3705729 assay format
CHEMBL540888 OBDepict O N H 2 N H N N N F F F F F F F ClH IC50 = 0.46 nM 551.89 Cl.N[C@@H](CC(=O)N1CCn2c(nnc2C(F)(F)F)C1Cc1ccccc1F)Cc1cc(F)c(F)cc1F Homo sapiens CHEMBL944056 single protein format
CHEMBL2147070 OBDepict F Cl N N N O N H 3 C H NH 2 O HO ClH IC50 = 0.48 nM 520.39 Cl.Cn1c(=O)c2c(nc(N3CCC[C@@H](N)C3)n2Cc2cc(F)ccc2Cl)c2ccc(C(=O)O)cc21 Homo sapiens CHEMBL2149434 single protein format
CHEMBL216178 OBDepict O N H H N N O H 2 N H F F F IC50 = 0.49 nM 420.44 N[C@@H](CC(=O)N1CCCNC(=O)[C@H]1Cc1ccccn1)Cc1cc(F)c(F)cc1F Homo sapiens CHEMBL907105 single protein format
CHEMBL1215087 OBDepict NH 2 CH 3 N N N Cl Cl N O N S O O CH 3 Ki = 0.5 nM 497.41 Cc1nc2nc(C(=O)N3CCN(S(C)(=O)=O)CC3)cn2c(-c2ccc(Cl)cc2Cl)c1CN Homo sapiens CHEMBL1218970 single protein format
CHEMBL93060 OBDepict N H N S O H 2 N Ki = 0.5 nM 239.34 N#C[C@@H]1CSCN1C(=O)C(N)C1CCCC1 Homo sapiens CHEMBL664933 single protein format
CHEMBL1229820 OBDepict F H N H H 2 N H O O CH 3 CH 3 IC50 = 0.5 nM 370.47 COc1cc2c(cc1OC)[C@@H]1C[C@H](N)[C@@H](c3cccc(CF)c3)CN1CC2 Homo sapiens CHEMBL3074800 single protein format
CHEMBL2058756 OBDepict N N O N N H HN H N O S IC50 = 0.5 nM 412.52 N#Cc1ccc2oc(N3CCN([C@@H]4CN[C@H](C(=O)N5CCSC5)C4)CC3)nc2c1 Homo sapiens CHEMBL2060146 single protein format
CHEMBL591279 OBDepict F H N NH 2 H O O CH 3 CH 3 IC50 = 0.5 nM 370.47 COc1cc2c(cc1OC)[C@@H]1CC(N)[C@@H](c3cccc(CF)c3)CN1CC2 Homo sapiens CHEMBL1071791 single protein format
CHEMBL3654424 OBDepict F F H O H H 2 N H N N N CH 3 S O O CH 3 IC50 = 0.5 nM 466.55 Cc1c2c(nn1S(=O)(=O)C1(C)CC1)CN([C@H]1CCO[C@H](c3cc(F)ccc3F)[C@@H](N)C1)C2 Homo sapiens CHEMBL3706292 assay format
CHEMBL1951432 OBDepict N N N N N O H NH 2 H 3 C CH 3 N IC50 = 0.5 nM 467.58 CC(C)=CCn1c(N2CCC[C@H](N)C2)c(C#N)c2ncn(Cc3nccc4ccccc34)c(=O)c21 Homo sapiens CHEMBL1954392 single protein format
CHEMBL536536 OBDepict F OH N N N O N H 2 N H F F F F F F ClH IC50 = 0.5 nM 567.89 Cl.N[C@@H](CC(=O)N1CCn2c(nnc2C(F)(F)F)C1C(O)c1ccc(F)cc1)Cc1cc(F)c(F)cc1F Homo sapiens CHEMBL944056 single protein format
CHEMBL3805154 OBDepict CH 3 N HO N N N H O H NH 2 H F F F IC50 = 0.5 nM 419.41 Cc1cc(O)n2nc3c(c2n1)CN([C@H]1CO[C@H](c2cc(F)c(F)cc2F)[C@@H](N)C1)C3 Homo sapiens CHEMBL3807661 single protein format
CHEMBL3805751 OBDepict CH 3 N N N N H O H NH 2 H F F F IC50 = 0.5 nM 403.41 Cc1ccn2nc3c(c2n1)CN([C@H]1CO[C@H](c2cc(F)c(F)cc2F)[C@@H](N)C1)C3 Homo sapiens CHEMBL3807661 single protein format
CHEMBL3644456 OBDepict F F F S H H 2 N H N N N S O O H 3 C IC50 = 0.5 nM 432.49 CS(=O)(=O)n1cc2c(n1)CN([C@H]1CSC(c3cc(F)cc(F)c3F)[C@@H](N)C1)C2 Homo sapiens CHEMBL3705729 assay format
CHEMBL2425059 OBDepict F F H F H H 2 N H N N N F F F IC50 = 0.5 nM 416.37 N[C@H]1C[C@@H](N2Cc3cnc(C(F)(F)F)nc3C2)CC[C@@H]1c1cc(F)c(F)cc1F Homo sapiens CHEMBL2429421 single protein format
CHEMBL1951598 OBDepict H 3 C O O N O O N N CH 3 N N H 3 C CH 3 H NH 2 IC50 = 0.5 nM 504.59 COc1cccc(C(=O)Cn2c(=O)c3c(c(C#N)c(N4CCC[C@H](N)C4)n3CC=C(C)C)n(C)c2=O)c1 Homo sapiens CHEMBL1954392 single protein format
CHEMBL2058975 OBDepict N N N N H NH H N O S IC50 = 0.51 nM 422.56 N#Cc1cnc(N2CCN([C@@H]3CN[C@H](C(=O)N4CCSC4)C3)CC2)c2ccccc12 Homo sapiens CHEMBL2060146 single protein format
CHEMBL195335 OBDepict N H N O H HN H N H IC50 = 0.53 nM 284.36 N#C[C@@H]1CCCN1C(=O)[C@@H]1C[C@H](Nc2ccccc2)CN1 Homo sapiens CHEMBL876981 single protein format
CHEMBL4176578 OBDepict N N F N N O N H H H 2 N S IC50 = 0.54 nM 448.53 N#Cc1ccc(F)cc1Cn1c(N2CCC[C@@H](N)C2)nc2c(-c3cccs3)c[nH]c2c1=O Homo sapiens CHEMBL4140929 single protein format
CHEMBL4164470 OBDepict N N F N N O N H H H 2 N F IC50 = 0.54 nM 460.49 N#Cc1ccc(F)cc1Cn1c(N2CCC[C@@H](N)C2)nc2c(-c3ccc(F)cc3)c[nH]c2c1=O Homo sapiens CHEMBL4140929 single protein format
CHEMBL1910120 OBDepict NH 2 CH 3 N N Cl O Cl N O N O H 3 C Ki = 0.55 nM 490.39 CC(=O)N1CCN(C(=O)CN2Cc3c(nc(C)c(CN)c3-c3ccc(Cl)cc3Cl)C2=O)CC1 Homo sapiens CHEMBL1912807 single protein format
CHEMBL2058757 OBDepict O N H NH S H N N N S IC50 = 0.55 nM 403.58 O=C([C@@H]1C[C@H](N2CCN(c3nc4ccccc4s3)CC2)CN1)N1CCSC1 Homo sapiens CHEMBL2060146 single protein format
CHEMBL2147056 OBDepict F H 3 C N N N O N CH 3 H H 2 N O OH ClH IC50 = 0.55 nM 499.97 Cc1ccc(F)cc1Cn1c(N2CCC[C@@H](N)C2)nc2c3ccc(C(=O)O)cc3n(C)c(=O)c21.Cl Homo sapiens CHEMBL2149434 single protein format
CHEMBL2058970 OBDepict O N H NH S H N N CH 3 N IC50 = 0.56 nM 411.58 Cc1cc(N2CCN([C@@H]3CN[C@H](C(=O)N4CCSC4)C3)CC2)c2ccccc2n1 Homo sapiens CHEMBL2060146 single protein format
CHEMBL3806023 OBDepict F F H F H H 2 N H N N N H 3 C N N IC50 = 0.56 nM 402.42 Cc1nnc2ncc3c(n12)CN([C@H]1CC[C@H](c2cc(F)c(F)cc2F)[C@@H](N)C1)C3 Homo sapiens CHEMBL3807661 single protein format
CHEMBL2058761 OBDepict Cl N N H N N H N H H N O S IC50 = 0.59 nM 420.97 O=C([C@@H]1C[C@H](N2CCN(c3nc4cc(Cl)ccc4[nH]3)CC2)CN1)N1CCSC1 Homo sapiens CHEMBL2060146 single protein format
CHEMBL1215164 OBDepict NH 2 CH 3 N N N Cl Cl N O O CH 3 CH 3 Ki = 0.6 nM 434.33 Cc1nc2nc(C(=O)N3COCC3(C)C)cn2c(-c2ccc(Cl)cc2Cl)c1CN Homo sapiens CHEMBL1218970 single protein format
CHEMBL209940 OBDepict N Cl O H N H H N O H N Ki = 0.6 nM 358.83 N#Cc1ccc(OC[C@H]2CC[C@@H](C(=O)N3CCC[C@H]3C#N)N2)c(Cl)c1 Homo sapiens CHEMBL871249 single protein format
CHEMBL385517 OBDepict N H N H O H H 2 N H OH Ki = 0.6 nM 315.42 N#C[C@@H]1C[C@@H]2C[C@@H]2N1C(=O)[C@@H](N)C12CC3CC(CC(O)(C3)C1)C2 Homo sapiens CHEMBL839953 single protein format
CHEMBL165 OBDepict OH OH HO IC50 = 0.6 nM 228.25 Oc1ccc(/C=C/c2cc(O)cc(O)c2)cc1 Homo sapiens CHEMBL4232373 single protein format