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Q12884 | SEPR_HUMAN | Prolyl endopeptidase FAP (FAP)

3D structures mapped by conservation among orthologs

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

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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
CHEMBL4877950 OBDepict CH 3 O O H 3 C N H O O H N O N H O N IC50 = 0.089 nM 504.54 COc1ccc(CNC(=O)C(=O)[C@@H]2CCCN2C(=O)CNC(=O)c2ccnc3ccccc23)cc1OC Homo sapiens CHEMBL4843582 cell-based format
CHEMBL4878759 OBDepict O O N H H 3 C CH 3 H 3 C O O H N O N H O N IC50 = 0.13 nM 468.51 CC(C)(C)OC(=O)CNC(=O)C(=O)[C@@H]1CCCN1C(=O)CNC(=O)c1ccnc2ccccc12 Homo sapiens CHEMBL4843582 cell-based format
CHEMBL4864809 OBDepict CH 3 O N H O O H N O N H O N IC50 = 0.18 nM 474.52 COc1ccc(CNC(=O)C(=O)[C@@H]2CCCN2C(=O)CNC(=O)c2ccnc3ccccc23)cc1 Homo sapiens CHEMBL4843582 cell-based format
CHEMBL4853661 OBDepict H 3 C O O CH 3 N H O O H N O N H O N IC50 = 0.19 nM 518.57 COc1ccc(CCNC(=O)C(=O)[C@@H]2CCCN2C(=O)CNC(=O)c2ccnc3ccccc23)cc1OC Homo sapiens CHEMBL4843582 cell-based format
CHEMBL4850601 OBDepict H 3 C O N H O O H N O N H O N IC50 = 0.22 nM 474.52 COc1cccc(CNC(=O)C(=O)[C@@H]2CCCN2C(=O)CNC(=O)c2ccnc3ccccc23)c1 Homo sapiens CHEMBL4843582 cell-based format
CHEMBL4868869 OBDepict O N HN H O O N H O N N O O IC50 = 0.32 nM 481.51 O=C(NCC(=O)N1CCOCC1)C(=O)[C@@H]1CCCN1C(=O)CNC(=O)c1ccnc2ccccc12 Homo sapiens CHEMBL4843582 cell-based format
CHEMBL4873985 OBDepict CH 3 O O N H O O H N O N H O N IC50 = 0.42 nM 488.5 COC(=O)c1ccc(NC(=O)C(=O)[C@@H]2CCCN2C(=O)CNC(=O)c2ccnc3ccccc23)cc1 Homo sapiens CHEMBL4843582 cell-based format
CHEMBL4867484 OBDepict H 3 C O O N H O O H N O HN O N IC50 = 0.42 nM 440.46 CCOC(=O)CNC(=O)C(=O)[C@@H]1CCCN1C(=O)CNC(=O)c1ccnc2ccccc12 Homo sapiens CHEMBL4843582 cell-based format
CHEMBL4864133 OBDepict F N H O O H N O N H O N IC50 = 0.44 nM 462.48 O=C(NCc1ccc(F)cc1)C(=O)[C@@H]1CCCN1C(=O)CNC(=O)c1ccnc2ccccc12 Homo sapiens CHEMBL4843582 cell-based format
CHEMBL2333025 OBDepict O N N H H B HO OH O N IC50 = 0.47 nM 277.09 O=C(NCC(=O)N1CCC[C@H]1B(O)O)c1ccncc1 Homo sapiens CHEMBL2346129 single protein format
CHEMBL4854865 OBDepict H 3 C O O HN H O N H O O H N O N H O N IC50 = 0.5 nM 573.61 COC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)C(=O)[C@@H]1CCCN1C(=O)CNC(=O)c1ccnc2ccccc12 Homo sapiens CHEMBL4843582 cell-based format
CHEMBL4871602 OBDepict O N H N H H 3 C CH 3 H 3 C O O H N O N H O N IC50 = 0.53 nM 467.53 CC(C)(C)NC(=O)CNC(=O)C(=O)[C@@H]1CCCN1C(=O)CNC(=O)c1ccnc2ccccc12 Homo sapiens CHEMBL4843582 cell-based format
CHEMBL4855449 OBDepict CH 3 N H O O H N O NH O N IC50 = 0.58 nM 424.5 CCCCCNC(=O)C(=O)[C@@H]1CCCN1C(=O)CNC(=O)c1ccnc2ccccc12 Homo sapiens CHEMBL4843582 cell-based format
CHEMBL4863249 OBDepict O N HN H O O N H O N IC50 = 0.63 nM 458.52 O=C(NCCc1ccccc1)C(=O)[C@@H]1CCCN1C(=O)CNC(=O)c1ccnc2ccccc12 Homo sapiens CHEMBL4843582 cell-based format
CHEMBL4859756 OBDepict CH 3 CH 3 N H O O H N O N H O N IC50 = 0.63 nM 472.55 Cc1ccc(CNC(=O)C(=O)[C@@H]2CCCN2C(=O)CNC(=O)c2ccnc3ccccc23)c(C)c1 Homo sapiens CHEMBL4843582 cell-based format
CHEMBL4847764 OBDepict O N HN H O O HN O N IC50 = 0.64 nM 394.43 O=C(NC1CC1)C(=O)[C@@H]1CCCN1C(=O)CNC(=O)c1ccnc2ccccc12 Homo sapiens CHEMBL4843582 cell-based format
CHEMBL4851238 OBDepict CH 3 N H O N H O O H N O NH O N IC50 = 0.67 nM 495.58 CCCCCCNC(=O)CNC(=O)C(=O)[C@@H]1CCCN1C(=O)CNC(=O)c1ccnc2ccccc12 Homo sapiens CHEMBL4843582 cell-based format
CHEMBL4855309 OBDepict O N HN H O O N H O N IC50 = 0.77 nM 444.49 O=C(NCc1ccccc1)C(=O)[C@@H]1CCCN1C(=O)CNC(=O)c1ccnc2ccccc12 Homo sapiens CHEMBL4843582 cell-based format
CHEMBL4762591 OBDepict N H N F F O N H O N S Cl Cl IC50 = 1.0 nM 459.31 N#C[C@@H]1CC(F)(F)CN1C(=O)CNC(=O)c1csc(Cc2ccc(Cl)cc2Cl)n1 Homo sapiens CHEMBL4714146 single protein format
CHEMBL2333023 OBDepict O N N H H B HO OH O N IC50 = 1.1 nM 277.09 O=C(NCC(=O)N1CCC[C@H]1B(O)O)c1cccnc1 Homo sapiens CHEMBL2346129 single protein format
CHEMBL4870279 OBDepict H 3 C O O N H CH 3 O O H N O N H O N IC50 = 1.1 nM 440.46 COC(=O)C(C)NC(=O)C(=O)[C@@H]1CCCN1C(=O)CNC(=O)c1ccnc2ccccc12 Homo sapiens CHEMBL4843582 cell-based format
CHEMBL4846405 OBDepict CH 3 O O N H O O H N O N H O N IC50 = 1.1 nM 426.43 COC(=O)CNC(=O)C(=O)[C@@H]1CCCN1C(=O)CNC(=O)c1ccnc2ccccc12 Homo sapiens CHEMBL4843582 cell-based format
CHEMBL4870593 OBDepict CH 3 NH H 3 C O HN O O H N O N H O N IC50 = 1.1 nM 453.5 CC(C)NC(=O)CNC(=O)C(=O)[C@@H]1CCCN1C(=O)CNC(=O)c1ccnc2ccccc12 Homo sapiens CHEMBL4843582 cell-based format
CHEMBL1243153 OBDepict H O NH H N O N O H F F N Ki = 1.3 nM 402.4 N#C[C@@H]1CC(F)(F)CN1C(=O)[C@@H]1C[C@@H](CC(=O)N2Cc3ccccc3C2)C(=O)N1 Homo sapiens CHEMBL1246402 cell-based format
CHEMBL4871573 OBDepict H 3 C O N H O O H N O N H O N IC50 = 1.5 nM 460.49 COc1ccc(NC(=O)C(=O)[C@@H]2CCCN2C(=O)CNC(=O)c2ccnc3ccccc23)cc1 Homo sapiens CHEMBL4843582 cell-based format
CHEMBL4861963 OBDepict H 3 C O O CH 3 NH O N H O O H N O N H O N IC50 = 1.7 nM 561.6 COc1ccc(CNC(=O)CNC(=O)C(=O)[C@@H]2CCCN2C(=O)CNC(=O)c2ccnc3ccccc23)cc1OC Homo sapiens CHEMBL4843582 cell-based format
CHEMBL4869146 OBDepict O N N H H O O N H O N N O IC50 = 1.8 nM 465.51 O=C(NCC(=O)N1CCCC1)C(=O)[C@@H]1CCCN1C(=O)CNC(=O)c1ccnc2ccccc12 Homo sapiens CHEMBL4843582 cell-based format
CHEMBL4786982 OBDepict N H N F F O N H O N S Cl Cl IC50 = 2.0 nM 459.31 N#C[C@@H]1CC(F)(F)CN1C(=O)CNC(=O)c1csc(Cc2ccc(Cl)c(Cl)c2)n1 Homo sapiens CHEMBL4714146 single protein format
CHEMBL4864489 OBDepict CH 3 O O N H H O N H O OH O O H N O N H O N IC50 = 2.1 nM 555.54 COC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)C(=O)[C@@H]1CCCN1C(=O)CNC(=O)c1ccnc2ccccc12 Homo sapiens CHEMBL4843582 cell-based format
CHEMBL4872140 OBDepict O N H NH O O H N O N H O N IC50 = 2.7 nM 451.48 O=C(CNC(=O)C(=O)[C@@H]1CCCN1C(=O)CNC(=O)c1ccnc2ccccc12)NC1CC1 Homo sapiens CHEMBL4843582 cell-based format
CHEMBL3233842 OBDepict N H N F F O N H O N IC50 = 3.3 nM 344.32 N#C[C@@H]1CC(F)(F)CN1C(=O)CNC(=O)c1ccnc2ccccc12 Homo sapiens CHEMBL3620563 single protein format
CHEMBL2333030 OBDepict O NH Cl H 3 C H N N O H B HO OH IC50 = 3.4 nM 325.56 C[C@@H](NC(=O)c1ccncc1Cl)C(=O)N1CCC[C@H]1B(O)O Homo sapiens CHEMBL2346129 single protein format
CHEMBL4850470 OBDepict O N HN H O O N H O N IC50 = 3.4 nM 520.59 O=C(NC(c1ccccc1)c1ccccc1)C(=O)[C@@H]1CCCN1C(=O)CNC(=O)c1ccnc2ccccc12 Homo sapiens CHEMBL4843582 cell-based format
CHEMBL4863606 OBDepict O N H N H O O H N O NH O N IC50 = 3.7 nM 501.54 O=C(CNC(=O)C(=O)[C@@H]1CCCN1C(=O)CNC(=O)c1ccnc2ccccc12)NCc1ccccc1 Homo sapiens CHEMBL4843582 cell-based format
CHEMBL4863090 OBDepict CH 3 N H H 3 C O O H N O N H O N IC50 = 4.0 nM 396.45 CC(C)NC(=O)C(=O)[C@@H]1CCCN1C(=O)CNC(=O)c1ccnc2ccccc12 Homo sapiens CHEMBL4843582 cell-based format
CHEMBL4750058 OBDepict N H N F F O N H O N S IC50 = 4.0 nM 516.57 N#C[C@@H]1CC(F)(F)CN1C(=O)CNC(=O)c1csc(Cc2ccccc2-c2ccc3ccccc3c2)n1 Homo sapiens CHEMBL4714146 single protein format
CHEMBL4875452 OBDepict CH 3 O O N H H O N H O NH 2 O O H N O N H O N IC50 = 4.3 nM 554.56 COC(=O)[C@H](CCC(N)=O)NC(=O)CNC(=O)C(=O)[C@@H]1CCCN1C(=O)CNC(=O)c1ccnc2ccccc12 Homo sapiens CHEMBL4843582 cell-based format
CHEMBL373269 OBDepict HO B OH H N O NH IC50 = 4.6 nM 306.21 O=C(CNC12CC3CC(CC(C3)C1)C2)N1CCC[C@@H]1B(O)O Homo sapiens CHEMBL880566 single protein format
CHEMBL4758299 OBDepict N H N F F O HN O N S S O O F F F IC50 = 5.0 nM 522.48 N#C[C@@H]1CC(F)(F)CN1C(=O)CNC(=O)c1csc(CS(=O)(=O)c2ccc(C(F)(F)F)cc2)n1 Homo sapiens CHEMBL4714146 single protein format
CHEMBL4868792 OBDepict CH 3 N H 3 C O HN O O H N O N H O N IC50 = 5.0 nM 439.47 CN(C)C(=O)CNC(=O)C(=O)[C@@H]1CCCN1C(=O)CNC(=O)c1ccnc2ccccc12 Homo sapiens CHEMBL4843582 cell-based format
CHEMBL4780357 OBDepict H N N F F O N H O N S S H 3 C IC50 = 5.0 nM 436.51 Cc1ccc(SCc2nc(C(=O)NCC(=O)N3CC(F)(F)C[C@H]3C#N)cs2)cc1 Homo sapiens CHEMBL4714146 single protein format
CHEMBL4874501 OBDepict O N H O N H O O H N O N H O N IC50 = 5.4 nM 453.46 O=CCNC(=O)CNC(=O)C(=O)[C@@H]1CCCN1C(=O)CNC(=O)c1ccnc2ccccc12 Homo sapiens CHEMBL4843582 cell-based format
CHEMBL2332619 OBDepict HO B OH H N O N H H 3 C H O N IC50 = 6.4 nM 341.18 C[C@@H](NC(=O)c1ccnc2ccccc12)C(=O)N1CCC[C@H]1B(O)O Homo sapiens CHEMBL2346129 single protein format
CHEMBL4847560 OBDepict H 3 C O O HN H O H 3 C CH 3 N H O O H N O N H O N IC50 = 6.7 nM 539.59 COC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)C(=O)[C@@H]1CCCN1C(=O)CNC(=O)c1ccnc2ccccc12 Homo sapiens CHEMBL4843582 cell-based format
CHEMBL2385281 OBDepict N H N O N H O N IC50 = 6.8 nM 308.34 N#C[C@@H]1CCCN1C(=O)CNC(=O)c1ccnc2ccccc12 Homo sapiens CHEMBL4843582 cell-based format
CHEMBL4747575 OBDepict N O S N N H O N O H F F N IC50 = 7.0 nM 431.42 N#Cc1ccc(OCc2nc(C(=O)NCC(=O)N3CC(F)(F)C[C@H]3C#N)cs2)cc1 Homo sapiens CHEMBL4714146 single protein format
CHEMBL4870027 OBDepict H 3 C O O N H O N H O O H N O HN O N IC50 = 7.2 nM 483.48 COC(=O)CNC(=O)CNC(=O)C(=O)[C@@H]1CCCN1C(=O)CNC(=O)c1ccnc2ccccc12 Homo sapiens CHEMBL4843582 cell-based format
CHEMBL387050 OBDepict O N N O H B HO OH Ki = 7.5 nM 288.11 O=C1c2ccccc2CN1CC(=O)N1CCC[C@H]1B(O)O Homo sapiens CHEMBL908234 single protein format
CHEMBL1243373 OBDepict OH B HO H N O N H O Ki = 7.9 nM 326.16 O=C(NCC(=O)N1CCC[C@H]1B(O)O)c1cccc2ccccc12 Homo sapiens CHEMBL1246402 cell-based format
CHEMBL4863794 OBDepict H 3 C O O N H H 3 C CH 3 O O H N O N H O N IC50 = 8.3 nM 468.51 COC(=O)C(NC(=O)C(=O)[C@@H]1CCCN1C(=O)CNC(=O)c1ccnc2ccccc12)C(C)C Homo sapiens CHEMBL4843582 cell-based format
CHEMBL2333026 OBDepict O NH H 3 C H N N O H B HO OH Ki = 9.0 nM 291.12 C[C@@H](NC(=O)c1ccncc1)C(=O)N1CCC[C@H]1B(O)O Homo sapiens CHEMBL2345668 single protein format
CHEMBL4789965 OBDepict N S O O S N N H O N O H F F N IC50 = 9.0 nM 479.49 N#Cc1ccc(S(=O)(=O)Cc2nc(C(=O)NCC(=O)N3CC(F)(F)C[C@H]3C#N)cs2)cc1 Homo sapiens CHEMBL4714146 single protein format
CHEMBL2332618 OBDepict Cl N HN O CH 3 H N O H B OH HO IC50 = 9.4 nM 325.56 C[C@@H](NC(=O)c1ccnc(Cl)c1)C(=O)N1CCC[C@H]1B(O)O Homo sapiens CHEMBL2346129 single protein format
CHEMBL4776967 OBDepict N H N F F O NH O N S S F F F IC50 = 11.0 nM 490.48 N#C[C@@H]1CC(F)(F)CN1C(=O)CNC(=O)c1csc(CSc2ccc(C(F)(F)F)cc2)n1 Homo sapiens CHEMBL4714146 single protein format
CHEMBL4873662 OBDepict CH 3 O O N H H OH O N H O O H N O N H O N IC50 = 11.0 nM 513.51 COC(=O)[C@H](CO)NC(=O)CNC(=O)C(=O)[C@@H]1CCCN1C(=O)CNC(=O)c1ccnc2ccccc12 Homo sapiens CHEMBL4843582 cell-based format
CHEMBL305170 OBDepict CH 3 CH 3 NH 2 H N O H B HO HO IC50 = 11.0 nM 214.07 CC(C)[C@@H](N)C(=O)N1CCC[C@H]1B(O)O Homo sapiens CHEMBL880566 single protein format
CHEMBL195189 OBDepict CH 3 CH 3 NH 2 H N O H B HO HO IC50 = 11.0 nM 214.07 CC(C)[C@H](N)C(=O)N1CCC[C@@H]1B(O)O Homo sapiens CHEMBL880247 single protein format
CHEMBL443836 OBDepict O N N H H B OH HO O Cl Cl Ki = 12.0 nM 344.99 O=C(NCC(=O)N1CCC[C@H]1B(O)O)c1c(Cl)cccc1Cl Homo sapiens CHEMBL908234 single protein format
CHEMBL4753316 OBDepict N S N N H O N O H F F N IC50 = 12.0 nM 491.52 N#Cc1ccc(-c2ccc(Cc3nc(C(=O)NCC(=O)N4CC(F)(F)C[C@H]4C#N)cs3)cc2)cc1 Homo sapiens CHEMBL4714146 single protein format
CHEMBL4874657 OBDepict CH 3 N H O N H O O H N O N H O N IC50 = 13.0 nM 425.45 CNC(=O)CNC(=O)C(=O)[C@@H]1CCCN1C(=O)CNC(=O)c1ccnc2ccccc12 Homo sapiens CHEMBL4843582 cell-based format
CHEMBL4799823 OBDepict N S N N H O N O H F F N IC50 = 14.0 nM 415.43 N#Cc1ccc(Cc2nc(C(=O)NCC(=O)N3CC(F)(F)C[C@H]3C#N)cs2)cc1 Homo sapiens CHEMBL4714146 single protein format
CHEMBL387444 OBDepict O N H N O H B HO HO Ki = 14.0 nM 282.15 O=C(NCC(=O)N1CCC[C@H]1B(O)O)C1CCCCC1 Homo sapiens CHEMBL908234 single protein format
CHEMBL2333029 OBDepict O NH F H 3 C H N N O H B HO OH IC50 = 15.0 nM 309.11 C[C@@H](NC(=O)c1ccncc1F)C(=O)N1CCC[C@H]1B(O)O Homo sapiens CHEMBL2346129 single protein format
CHEMBL4874659 OBDepict O N NH H O O N H O N IC50 = 15.0 nM 436.51 O=C(NC1CCCCC1)C(=O)[C@@H]1CCCN1C(=O)CNC(=O)c1ccnc2ccccc12 Homo sapiens CHEMBL4843582 cell-based format
CHEMBL2332617 OBDepict F N HN O CH 3 H N O H B OH HO IC50 = 16.0 nM 309.11 C[C@@H](NC(=O)c1ccnc(F)c1)C(=O)N1CCC[C@H]1B(O)O Homo sapiens CHEMBL2346129 single protein format
CHEMBL4746868 OBDepict N H N F F O N H O N S Br IC50 = 16.0 nM 469.31 N#C[C@@H]1CC(F)(F)CN1C(=O)CNC(=O)c1csc(Cc2ccc(Br)cc2)n1 Homo sapiens CHEMBL4714146 single protein format
CHEMBL4791505 OBDepict N H N F F O HN O N S S O O Cl Cl IC50 = 19.0 nM 523.37 N#C[C@@H]1CC(F)(F)CN1C(=O)CNC(=O)c1csc(CS(=O)(=O)c2ccc(Cl)c(Cl)c2)n1 Homo sapiens CHEMBL4714146 single protein format
CHEMBL1243373 OBDepict OH B HO H N O N H O IC50 = 19.0 nM 326.16 O=C(NCC(=O)N1CCC[C@H]1B(O)O)c1cccc2ccccc12 Homo sapiens CHEMBL1246389 cell-based format
CHEMBL4759201 OBDepict H N N F F O N H O N S S O O CH 3 IC50 = 20.0 nM 468.51 Cc1ccc(S(=O)(=O)Cc2nc(C(=O)NCC(=O)N3CC(F)(F)C[C@H]3C#N)cs2)cc1 Homo sapiens CHEMBL4714146 single protein format
CHEMBL1243126 OBDepict H O NH H N O N O H H F N IC50 = 20.0 nM 384.41 N#C[C@@H]1C[C@H](F)CN1C(=O)[C@@H]1C[C@@H](CC(=O)N2Cc3ccccc3C2)C(=O)N1 Homo sapiens CHEMBL1246389 cell-based format
CHEMBL4797479 OBDepict H N N F F O N H O N S S O O CH 3 IC50 = 20.0 nM 468.51 CS(=O)(=O)c1ccc(Cc2nc(C(=O)NCC(=O)N3CC(F)(F)C[C@H]3C#N)cs2)cc1 Homo sapiens CHEMBL4714146 single protein format
CHEMBL4861885 OBDepict NH 2 N H H O O H 3 C O N H O O H N O N H O N IC50 = 20.0 nM 554.6 COC(=O)[C@H](CCCCN)NC(=O)CNC(=O)C(=O)[C@@H]1CCCN1C(=O)CNC(=O)c1ccnc2ccccc12 Homo sapiens CHEMBL4843582 cell-based format
CHEMBL217244 OBDepict OH B OH H N O N H O Ki = 20.0 nM 268.12 O=C(NCC(=O)N1CCC[C@H]1B(O)O)C1CCCC1 Homo sapiens CHEMBL908234 single protein format
CHEMBL4789754 OBDepict N H N F F O N H O N S Cl IC50 = 21.0 nM 424.86 N#C[C@@H]1CC(F)(F)CN1C(=O)CNC(=O)c1csc(Cc2ccc(Cl)cc2)n1 Homo sapiens CHEMBL4714146 single protein format
CHEMBL4781018 OBDepict N S N N H O N O H F F N IC50 = 21.0 nM 443.48 N#Cc1ccc(CCCc2nc(C(=O)NCC(=O)N3CC(F)(F)C[C@H]3C#N)cs2)cc1 Homo sapiens CHEMBL4714146 single protein format
CHEMBL1243153 OBDepict H O NH H N O N O H F F N IC50 = 22.0 nM 402.4 N#C[C@@H]1CC(F)(F)CN1C(=O)[C@@H]1C[C@@H](CC(=O)N2Cc3ccccc3C2)C(=O)N1 Homo sapiens CHEMBL1246389 cell-based format
CHEMBL4744633 OBDepict N H N F F O N H O N S O F F F IC50 = 22.0 nM 474.41 N#C[C@@H]1CC(F)(F)CN1C(=O)CNC(=O)c1csc(Cc2ccc(OC(F)(F)F)cc2)n1 Homo sapiens CHEMBL4714146 single protein format
CHEMBL4742308 OBDepict N H N F F O HN O N S N N IC50 = 23.0 nM 456.48 N#C[C@@H]1CC(F)(F)CN1C(=O)CNC(=O)c1csc(Cc2ccc(-n3cccn3)cc2)n1 Homo sapiens CHEMBL4714146 single protein format
CHEMBL4640030 OBDepict CH 3 NH O N O H B OH HO Ki = 23.0 nM 214.03 CC(=O)NCC(=O)N1CCC[C@@H]1B(O)O Homo sapiens CHEMBL4624683 cell-based format
CHEMBL217561 OBDepict CH 3 NH O N O H B OH HO Ki = 23.0 nM 214.03 CC(=O)NCC(=O)N1CCC[C@H]1B(O)O Homo sapiens CHEMBL908234 single protein format
CHEMBL4748680 OBDepict N S S N N H O N O H F F N IC50 = 24.0 nM 447.49 N#Cc1ccc(SCc2nc(C(=O)NCC(=O)N3CC(F)(F)C[C@H]3C#N)cs2)cc1 Homo sapiens CHEMBL4714146 single protein format
CHEMBL4857711 OBDepict O N N H H O O N H O N H 3 C H 3 C H 3 C IC50 = 24.0 nM 424.5 CC(C)(C)CNC(=O)C(=O)[C@@H]1CCCN1C(=O)CNC(=O)c1ccnc2ccccc12 Homo sapiens CHEMBL4843582 cell-based format
CHEMBL67279 OBDepict CH 3 CH 3 NH 2 H N O H B HO HO IC50 = 24.0 nM 214.07 CC(C)[C@H](N)C(=O)N1CCC[C@H]1B(O)O Homo sapiens CHEMBL902271 single protein format
CHEMBL4762306 OBDepict CH 3 S S N N H O N O H F F N IC50 = 25.0 nM 436.51 CSc1ccc(Cc2nc(C(=O)NCC(=O)N3CC(F)(F)C[C@H]3C#N)cs2)cc1 Homo sapiens CHEMBL4714146 single protein format
CHEMBL4748328 OBDepict CH 3 O S N N H O N O H F F N IC50 = 26.0 nM 420.44 COc1ccc(Cc2nc(C(=O)NCC(=O)N3CC(F)(F)C[C@H]3C#N)cs2)cc1 Homo sapiens CHEMBL4714146 single protein format
CHEMBL4761499 OBDepict N H N F F O HN O N S N N N IC50 = 28.0 nM 457.47 N#C[C@@H]1CC(F)(F)CN1C(=O)CNC(=O)c1csc(Cc2ccc(-n3cncn3)cc2)n1 Homo sapiens CHEMBL4714146 single protein format
CHEMBL386890 OBDepict Cl Cl NH O N O H B HO OH Ki = 29.0 nM 344.99 O=C(NCC(=O)N1CCC[C@H]1B(O)O)c1cc(Cl)ccc1Cl Homo sapiens CHEMBL908234 single protein format
CHEMBL1243184 OBDepict O N H H H N O N O H B HO OH IC50 = 31.0 nM 385.23 O=C1N[C@H](C(=O)N2CCC[C@H]2B(O)O)C[C@H]1CC(=O)N1Cc2ccccc2C1 Homo sapiens CHEMBL1246389 cell-based format
CHEMBL4755802 OBDepict N H N F F O N H O N S Br IC50 = 35.0 nM 469.31 N#C[C@@H]1CC(F)(F)CN1C(=O)CNC(=O)c1csc(Cc2cccc(Br)c2)n1 Homo sapiens CHEMBL4714146 single protein format
CHEMBL4754490 OBDepict N H N F F O NH O N S O Cl Cl IC50 = 35.0 nM 475.3 N#C[C@@H]1CC(F)(F)CN1C(=O)CNC(=O)c1csc(COc2ccc(Cl)c(Cl)c2)n1 Homo sapiens CHEMBL4714146 single protein format
CHEMBL2333026 OBDepict O NH H 3 C H N N O H B HO OH IC50 = 36.0 nM 291.12 C[C@@H](NC(=O)c1ccncc1)C(=O)N1CCC[C@H]1B(O)O Homo sapiens CHEMBL2346129 single protein format
CHEMBL4779526 OBDepict N H N F F O N H O N S CH 3 IC50 = 37.0 nM 404.44 Cc1ccc(Cc2nc(C(=O)NCC(=O)N3CC(F)(F)C[C@H]3C#N)cs2)cc1 Homo sapiens CHEMBL4714146 single protein format
CHEMBL460842 OBDepict HO B OH H N O NH IC50 = 46.0 nM 306.21 O=C(CNC12CC3CC(CC(C3)C1)C2)N1CCC[C@H]1B(O)O Homo sapiens CHEMBL1023105 single protein format
CHEMBL4748332 OBDepict N H N F F O N H O N S F F IC50 = 47.0 nM 426.4 N#C[C@@H]1CC(F)(F)CN1C(=O)CNC(=O)c1csc(Cc2ccc(F)c(F)c2)n1 Homo sapiens CHEMBL4714146 single protein format
CHEMBL4751873 OBDepict N H N F F O N H O N S Br IC50 = 50.0 nM 469.31 N#C[C@@H]1CC(F)(F)CN1C(=O)CNC(=O)c1csc(Cc2ccccc2Br)n1 Homo sapiens CHEMBL4714146 single protein format
CHEMBL216410 OBDepict O N H H 3 C CH 3 N O H B HO HO Ki = 51.0 nM 242.08 CC(C)C(=O)NCC(=O)N1CCC[C@H]1B(O)O Homo sapiens CHEMBL908234 single protein format
CHEMBL4743736 OBDepict N H N F F O N H O N S Cl Cl IC50 = 51.0 nM 487.36 N#C[C@@H]1CC(F)(F)CN1C(=O)CNC(=O)c1csc(CCCc2ccc(Cl)c(Cl)c2)n1 Homo sapiens CHEMBL4714146 single protein format
CHEMBL67089 OBDepict NH 2 N O H B HO HO IC50 = 52.0 nM 171.99 NCC(=O)N1CCC[C@H]1B(O)O Homo sapiens CHEMBL2346129 single protein format
CHEMBL2333027 OBDepict O NH H 3 C H N O H B HO OH IC50 = 54.0 nM 290.13 C[C@@H](NC(=O)c1ccccc1)C(=O)N1CCC[C@H]1B(O)O Homo sapiens CHEMBL2346129 single protein format
CHEMBL1243372 OBDepict N H N O H 2 N H N O IC50 = 54.0 nM 326.4 N#C[C@@H]1CCCN1C(=O)[C@@H](N)CCCN1Cc2ccccc2C1=O Homo sapiens CHEMBL1246389 cell-based format