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P46663 | BKRB1_HUMAN | B1 bradykinin receptor (BDKRB1)

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
CHEMBL359553 OBDepict O HN H N O N H S O O N H N Ki = 0.02 nM 567.67 O=C(C[C@@H]1C(=O)Nc2ccccc2N1S(=O)(=O)c1ccc2ccccc2c1)NCCc1ccc(C2=NCCN2)cc1 Homo sapiens CHEMBL830134 assay format
CHEMBL189123 OBDepict O N H H N O N H S O O Cl Cl N H N Ki = 0.03 nM 586.5 O=C(C[C@@H]1C(=O)Nc2ccccc2N1S(=O)(=O)c1ccc(Cl)c(Cl)c1)NCCc1ccc(C2=NCCN2)cc1 Homo sapiens CHEMBL828184 assay format
CHEMBL425588 OBDepict CH 3 O O F F NH N N O N N Ki = 0.045 nM 543.57 COC(=O)c1c(F)cccc1-c1ccc(CNc2ccc(C(=O)N3CCN(c4ccncc4)CC3)cn2)c(F)c1 Homo sapiens CHEMBL858907 single protein format
CHEMBL1939755 OBDepict O NH H H N O N H S O O H 3 C N Ki = 0.045 nM 536.7 Cc1ccc(S(=O)(=O)N2C=CNC(=O)[C@H]2CC(=O)N[C@@H]2CCCc3cc(CN4CCCCC4)ccc32)cc1 Homo sapiens CHEMBL1943911 cell-based format
CHEMBL185811 OBDepict O HN H N O N H S O O N N H Ki = 0.07 nM 565.66 O=C(C[C@@H]1C(=O)Nc2ccccc2N1S(=O)(=O)c1ccc2ccccc2c1)NCCc1ccc(-c2ncc[nH]2)cc1 Homo sapiens CHEMBL828184 assay format
CHEMBL373530 OBDepict H 3 C O O F F NH H 3 C H O NH O F F F Ki = 0.13 nM 484.42 COC(=O)c1c(F)cccc1-c1ccc([C@@H](C)NC(=O)C2(NC(=O)CC(F)(F)F)CC2)c(F)c1 Homo sapiens CHEMBL913433 cell-based format
CHEMBL1777958 OBDepict O NH H H N O N H S O O H 3 C N Ki = 0.16 nM 538.71 Cc1ccc(S(=O)(=O)N2CCNC(=O)[C@H]2CC(=O)N[C@@H]2CCCc3cc(CN4CCCCC4)ccc32)cc1 Homo sapiens CHEMBL1943911 cell-based format
CHEMBL502140 OBDepict O N H H N H O NH S O O O N Ki = 0.19 nM 574.7 O=C(C[C@@H]1C(=O)Nc2ccccc2N1S(=O)(=O)c1ccccc1)N[C@@H]1CCOc2cc(CN3CCCCC3)ccc21 Homo sapiens CHEMBL1005609 cell-based format
CHEMBL1939758 OBDepict O N H H H N O N H S O O H 3 C N Ki = 0.197 nM 522.67 Cc1ccc(S(=O)(=O)N2C=CNC(=O)[C@H]2CC(=O)N[C@@H]2CCCc3cc(CN4CCCC4)ccc32)cc1 Homo sapiens CHEMBL1943911 cell-based format
CHEMBL272278 OBDepict F F O Cl Cl F N H CH 3 H O N H O F F F Ki = 0.2 nM 543.29 C[C@@H](NC(=O)C1(NC(=O)C(F)(F)F)CC1)c1ccc(-c2cc(Cl)cc(Cl)c2OCC(F)F)cc1F Homo sapiens CHEMBL948902 assay format
CHEMBL410281 OBDepict F F O Cl Cl N F HN CH 3 H O HN O O N Cl Ki = 0.2 nM 577.77 C[C@@H](NC(=O)C1(NC(=O)c2cc(Cl)no2)CC1)c1ncc(-c2cc(Cl)cc(Cl)c2OCC(F)F)cc1F Homo sapiens CHEMBL948902 assay format
CHEMBL2087422 OBDepict H 3 C N N N O O N S H 3 C O O CH 3 H 3 C O CH 3 Ki = 0.2 nM 510.7 CCN1CCC(N2CCN(C(=O)COCCN(C)S(=O)(=O)c3c(C)cc(OC)cc3C)CC2)CC1 Homo sapiens CHEMBL2092264 cell-based format
CHEMBL218152 OBDepict O N H HN H H S O O N Ki = 0.24 nM 581.78 O=C(C[C@@H](NS(=O)(=O)c1ccc2ccccc2c1)c1ccccc1)N[C@@H]1CCCc2cc(CN3CCCCC3)ccc21 Homo sapiens CHEMBL855157 cell-based format
CHEMBL447870 OBDepict O N H H N H O N H S O O H 3 C O N Ki = 0.24 nM 588.73 Cc1ccc(S(=O)(=O)N2c3ccccc3NC(=O)[C@H]2CC(=O)N[C@@H]2CCOc3cc(CN4CCCCC4)ccc32)cc1 Homo sapiens CHEMBL1005609 cell-based format
CHEMBL487445 OBDepict O N H N H N S NH O O O Ki = 0.25 nM 520.66 O=C(NCCCN1CCCCC1)Nc1ccc(S(=O)(=O)Nc2ccccc2C(=O)c2ccccc2)cc1 Homo sapiens CHEMBL1021904 single protein format
CHEMBL1254945 OBDepict O N N O N Cl N Ki = 0.26 nM 501.03 O=C(c1cccc(N2Cc3cccc(Cl)c3C2=O)c1)N1CCC2(CC1)CCN(c1ccncc1)CC2 Homo sapiens CHEMBL1252531 cell-based format
CHEMBL256671 OBDepict CH 3 O O Cl Cl N F NH H 3 C H O HO H 3 C F F F Ki = 0.35 nM 483.25 COC(=O)c1c(Cl)cc(Cl)cc1-c1cnc([C@@H](C)NC(=O)[C@@](C)(O)C(F)(F)F)c(F)c1 Homo sapiens CHEMBL947206 cell-based format
CHEMBL1254771 OBDepict H 3 C O CH 3 CH 3 S N O O H 3 C O N O CH 3 NH N Ki = 0.35 nM 502.64 COc1cc(C)c(S(=O)(=O)N(C)CCOCC(=O)N(C)Cc2ccc(C3=NCCN3)cc2)c(C)c1 Homo sapiens CHEMBL1252531 cell-based format
CHEMBL496530 OBDepict Cl F N N N N N F CH 3 N H CH 3 H O OH S Ki = 0.39 nM 480.93 C[C@@H](NC(=O)C1(O)CCSC1)c1ncc(-c2cc(Cl)cc(F)c2-c2nnn(C)n2)cc1F Homo sapiens CHEMBL952241 cell-based format
CHEMBL255997 OBDepict F F O Cl Cl N F HN CH 3 H O HN O O N Ki = 0.4 nM 543.33 C[C@@H](NC(=O)C1(NC(=O)c2ccno2)CC1)c1ncc(-c2cc(Cl)cc(Cl)c2OCC(F)F)cc1F Homo sapiens CHEMBL948902 assay format
CHEMBL404370 OBDepict H 3 C O N O NH O N H O H 3 C H F Cl O O Cl CH 3 Ki = 0.4 nM 550.37 COC(=O)c1c(Cl)cc(Cl)cc1-c1ccc([C@@H](C)NC(=O)C2(NC(=O)c3cc(OC)no3)CC2)c(F)c1 Homo sapiens CHEMBL948902 assay format
CHEMBL2087434 OBDepict CH 3 O H 3 C H 3 C S N O O CH 3 O N O N CH 3 CH 3 Ki = 0.4 nM 523.74 COc1cc(C)c(S(=O)(=O)N(C)CCOCC(=O)N2CCC(C3CCN(C(C)C)CC3)CC2)c(C)c1 Homo sapiens CHEMBL2092264 cell-based format
CHEMBL234096 OBDepict N F F F NH N NH O F F F Ki = 0.4 nM 484.44 N#CC1(c2ccccc2C(F)(F)F)CCC(CNc2ncccc2NC(=O)CC(F)(F)F)CC1 Homo sapiens CHEMBL893140 single protein format
CHEMBL225607 OBDepict N NH O N NH Cl CH 3 H O O F H 3 C Ki = 0.4 nM 466.9 COC(=O)c1c(F)cccc1-c1ccc([C@@H](C)Nc2nccc(Cl)c2NC(=O)CC#N)cc1 Homo sapiens CHEMBL917703 cell-based format
CHEMBL414962 OBDepict CH 3 O O F F HN CH 3 H O HN O F F Ki = 0.4 nM 452.4 COC(=O)c1c(F)cccc1-c1ccc([C@@H](C)NC(=O)C2(NC(=O)C(F)F)CC2)c(F)c1 Homo sapiens CHEMBL913433 cell-based format
CHEMBL484055 OBDepict Cl F N N N N N F CH 3 N H CH 3 H O OH F F Ki = 0.41 nM 512.9 C[C@@H](NC(=O)C1(O)CCC(F)(F)CC1)c1ncc(-c2cc(Cl)cc(F)c2-c2nnn(C)n2)cc1F Homo sapiens CHEMBL952241 cell-based format
CHEMBL271283 OBDepict Cl F N N N N N Cl CH 3 NH H 3 C H O HO H 3 C F F F Ki = 0.43 nM 507.28 C[C@@H](NC(=O)[C@@](C)(O)C(F)(F)F)c1ncc(-c2cc(Cl)cc(F)c2-c2nnn(C)n2)cc1Cl Homo sapiens CHEMBL947206 cell-based format
CHEMBL232943 OBDepict CH 3 O O Cl F NH CH 3 H O HN O F F F Ki = 0.44 nM 486.85 COC(=O)c1c(Cl)cccc1-c1ccc([C@@H](C)NC(=O)C2(NC(=O)C(F)(F)F)CC2)c(F)c1 Homo sapiens CHEMBL913433 cell-based format
CHEMBL233968 OBDepict CH 3 O O Cl Cl F NH CH 3 H O HN O F F F Ki = 0.46 nM 521.29 COC(=O)c1c(Cl)cc(Cl)cc1-c1ccc([C@@H](C)NC(=O)C2(NC(=O)C(F)(F)F)CC2)c(F)c1 Homo sapiens CHEMBL897541 single protein format
CHEMBL1939760 OBDepict O N H H H N O N H S O O H 3 C HN CH 3 CH 3 H 3 C Ki = 0.48 nM 538.71 Cc1ccc(S(=O)(=O)N2C=CNC(=O)[C@H]2CC(=O)N[C@@H]2CCCc3cc(CNCC(C)(C)C)ccc32)cc1 Homo sapiens CHEMBL1943911 cell-based format
CHEMBL521735 OBDepict Cl F N N N N N F CH 3 N H CH 3 H O OH Ki = 0.48 nM 462.89 C[C@@H](NC(=O)C1(O)CCCC1)c1ncc(-c2cc(Cl)cc(F)c2-c2nnn(C)n2)cc1F Homo sapiens CHEMBL952241 cell-based format
CHEMBL222038 OBDepict N NH O N NH Cl CH 3 H F O N N H 3 C Ki = 0.5 nM 490.93 Cc1noc(-c2c(F)cccc2-c2ccc([C@@H](C)Nc3nccc(Cl)c3NC(=O)CC#N)cc2)n1 Homo sapiens CHEMBL917703 cell-based format
CHEMBL387638 OBDepict N HN O N N H Cl CH 3 H F N N N N CH 3 Ki = 0.5 nM 490.93 C[C@@H](Nc1nccc(Cl)c1NC(=O)CC#N)c1ccc(-c2cccc(F)c2-c2nnn(C)n2)cc1 Homo sapiens CHEMBL917703 cell-based format
CHEMBL404484 OBDepict CH 3 O N O HN O NH O CH 3 H N F O Cl Cl F F Ki = 0.5 nM 573.36 COc1cc(C(=O)NC2(C(=O)N[C@H](C)c3ncc(-c4cc(Cl)cc(Cl)c4OCC(F)F)cc3F)CC2)on1 Homo sapiens CHEMBL948902 assay format
CHEMBL218605 OBDepict H 3 C N N O F F HN H 3 C H O NH O F F F Ki = 0.51 nM 494.42 Cc1noc(-c2c(F)cccc2-c2ccc([C@@H](C)NC(=O)C3(NC(=O)C(F)(F)F)CC3)c(F)c2)n1 Homo sapiens CHEMBL913433 cell-based format
CHEMBL424919 OBDepict CH 3 O O F F N H O NH O Cl Cl Ki = 0.54 nM 471.29 COC(=O)c1c(F)cccc1-c1ccc(CNC(=O)C2(NC(=O)C(Cl)Cl)CC2)c(F)c1 Homo sapiens CHEMBL913433 cell-based format
CHEMBL1939759 OBDepict O N H H H N O N H S O O H 3 C NH Ki = 0.56 nM 508.64 Cc1ccc(S(=O)(=O)N2C=CNC(=O)[C@H]2CC(=O)N[C@@H]2CCCc3cc(CNC4CC4)ccc32)cc1 Homo sapiens CHEMBL1943911 cell-based format
CHEMBL374580 OBDepict CH 3 O O F F NH CH 3 H O HN O F F F Ki = 0.57 nM 470.39 COC(=O)c1c(F)cccc1-c1ccc([C@@H](C)NC(=O)C2(NC(=O)C(F)(F)F)CC2)c(F)c1 Homo sapiens CHEMBL913433 cell-based format
CHEMBL258324 OBDepict Cl F N N N N N F CH 3 NH H 3 C H O HO H 3 C F F F Ki = 0.59 nM 490.82 C[C@@H](NC(=O)[C@@](C)(O)C(F)(F)F)c1ncc(-c2cc(Cl)cc(F)c2-c2nnn(C)n2)cc1F Homo sapiens CHEMBL947206 cell-based format
CHEMBL270173 OBDepict H 3 C O Cl Cl N F NH H 3 C H O NH O O N Ki = 0.6 nM 507.35 CCOc1c(Cl)cc(Cl)cc1-c1cnc([C@@H](C)NC(=O)C2(NC(=O)c3ccno3)CC2)c(F)c1 Homo sapiens CHEMBL948902 assay format
CHEMBL234097 OBDepict N F F F HN N N H O O N Ki = 0.6 nM 469.47 N#CC1(c2ccccc2C(F)(F)F)CCC(CNc2ncccc2NC(=O)c2ccno2)CC1 Homo sapiens CHEMBL893140 single protein format
CHEMBL220657 OBDepict H 3 C N N N N F F N H CH 3 H O N H O F F F Ki = 0.6 nM 494.42 C[C@@H](NC(=O)C1(NC(=O)C(F)(F)F)CC1)c1ccc(-c2cccc(F)c2-c2nnn(C)n2)cc1F Homo sapiens CHEMBL913433 cell-based format
CHEMBL454086 OBDepict O N H O O S NH O O O N Ki = 0.6 nM 481.53 O=C(Nc1ccc(S(=O)(=O)Nc2ccccc2C(=O)c2ccccn2)cc1)OCC1CCCO1 Homo sapiens CHEMBL1021904 single protein format
CHEMBL3657638 OBDepict H 3 C O N N N H O O HN O H 3 C H F Cl F N N O H 3 C Ki = 0.6 nM 584.97 COc1ncc(C(=O)NC2(C(=O)N[C@H](C)c3ccc(-c4cc(Cl)cc(F)c4-c4noc(C)n4)cc3F)COC2)cn1 Homo sapiens CHEMBL3706181 assay format
CHEMBL258326 OBDepict Cl F O N N N F CH 3 HN CH 3 H O OH CH 3 F F F Ki = 0.66 nM 490.82 Cc1noc(-c2c(F)cc(Cl)cc2-c2cnc([C@@H](C)NC(=O)[C@@](C)(O)C(F)(F)F)c(F)c2)n1 Homo sapiens CHEMBL947206 cell-based format
CHEMBL426561 OBDepict H 3 C N N N N Cl F N H CH 3 H O N H O F F F Ki = 0.66 nM 510.88 C[C@@H](NC(=O)C1(NC(=O)C(F)(F)F)CC1)c1ccc(-c2cccc(Cl)c2-c2nnn(C)n2)cc1F Homo sapiens CHEMBL913433 cell-based format
CHEMBL402831 OBDepict Cl F N N N O F CH 3 HN CH 3 H O OH CH 3 F F F Ki = 0.66 nM 490.82 Cc1nc(-c2c(F)cc(Cl)cc2-c2cnc([C@@H](C)NC(=O)[C@@](C)(O)C(F)(F)F)c(F)c2)no1 Homo sapiens CHEMBL947206 cell-based format
CHEMBL484881 OBDepict O OH NH O H 3 C H N F Cl F N N N N H 3 C Ki = 0.67 nM 476.87 C[C@@H](NC(=O)C1(O)CCC(=O)C1)c1ncc(-c2cc(Cl)cc(F)c2-c2nnn(C)n2)cc1F Homo sapiens CHEMBL952241 cell-based format
CHEMBL231734 OBDepict CH 3 O O F Cl F NH CH 3 H O HN O F F F Ki = 0.68 nM 504.84 COC(=O)c1c(F)cc(Cl)cc1-c1ccc([C@@H](C)NC(=O)C2(NC(=O)C(F)(F)F)CC2)c(F)c1 Homo sapiens CHEMBL897541 single protein format
CHEMBL482829 OBDepict Cl F N N N N N F CH 3 N H CH 3 H O OH S O O Ki = 0.69 nM 512.93 C[C@@H](NC(=O)C1(O)CCS(=O)(=O)C1)c1ncc(-c2cc(Cl)cc(F)c2-c2nnn(C)n2)cc1F Homo sapiens CHEMBL952241 cell-based format
CHEMBL454085 OBDepict O N H O O S NH O O O Ki = 0.7 nM 480.54 O=C(Nc1ccc(S(=O)(=O)Nc2ccccc2C(=O)c2ccccc2)cc1)OCC1CCCO1 Homo sapiens CHEMBL1021904 single protein format
CHEMBL451761 OBDepict O N H O O S NH O O O N F Ki = 0.7 nM 499.52 O=C(Nc1ccc(S(=O)(=O)Nc2ccccc2C(=O)c2ccc(F)cn2)cc1)OCC1CCCO1 Homo sapiens CHEMBL1021904 single protein format
CHEMBL225218 OBDepict N NH O N NH Cl CH 3 H F N N O CH 3 Ki = 0.7 nM 490.93 Cc1nc(-c2c(F)cccc2-c2ccc([C@@H](C)Nc3nccc(Cl)c3NC(=O)CC#N)cc2)no1 Homo sapiens CHEMBL917703 cell-based format
CHEMBL2087433 OBDepict CH 3 O H 3 C H 3 C S N O O CH 3 O N O N CH 3 Ki = 0.7 nM 495.69 COc1cc(C)c(S(=O)(=O)N(C)CCOCC(=O)N2CCC(C3CCN(C)CC3)CC2)c(C)c1 Homo sapiens CHEMBL2092264 cell-based format
CHEMBL221998 OBDepict N NH O N NH Cl CH 3 H O O Cl H 3 C Ki = 0.7 nM 483.36 COC(=O)c1c(Cl)cccc1-c1ccc([C@@H](C)Nc2nccc(Cl)c2NC(=O)CC#N)cc1 Homo sapiens CHEMBL917703 cell-based format
CHEMBL208371 OBDepict N NH O N NH CH 3 F O O F H 3 C Ki = 0.71 nM 450.45 COC(=O)c1c(F)cccc1-c1ccc(CNc2nccc(C)c2NC(=O)CC#N)c(F)c1 Homo sapiens CHEMBL858907 single protein format
CHEMBL415848 OBDepict O N H HN H H S O O O N Ki = 0.77 nM 583.75 O=C(C[C@@H](NS(=O)(=O)c1ccc2ccccc2c1)c1ccccc1)N[C@@H]1CCOc2cc(CN3CCCCC3)ccc21 Homo sapiens CHEMBL855157 cell-based format
CHEMBL392551 OBDepict CH 3 O O Cl N F NH CH 3 H O HN O F F F Ki = 0.77 nM 487.84 COC(=O)c1c(Cl)cccc1-c1cnc([C@@H](C)NC(=O)C2(NC(=O)C(F)(F)F)CC2)c(F)c1 Homo sapiens CHEMBL897541 single protein format
CHEMBL257729 OBDepict Cl Cl O N N N F CH 3 HN CH 3 H O OH CH 3 F F F Ki = 0.79 nM 507.27 Cc1noc(-c2c(Cl)cc(Cl)cc2-c2cnc([C@@H](C)NC(=O)[C@@](C)(O)C(F)(F)F)c(F)c2)n1 Homo sapiens CHEMBL947206 cell-based format
CHEMBL2087423 OBDepict H 3 C O CH 3 CH 3 S N O O H 3 C O N O N N Ki = 0.8 nM 522.71 COc1cc(C)c(S(=O)(=O)N(C)CCOCC(=O)N2CCN(C3CCN(C4CC4)CC3)CC2)c(C)c1 Homo sapiens CHEMBL2092264 cell-based format
CHEMBL375288 OBDepict N NH O N NH Cl CH 3 H Cl O O H 3 C Ki = 0.8 nM 483.36 COC(=O)c1ccc(Cl)cc1-c1ccc([C@@H](C)Nc2nccc(Cl)c2NC(=O)CC#N)cc1 Homo sapiens CHEMBL917703 cell-based format
CHEMBL496529 OBDepict OH O N N F Cl N F HN CH 3 H O OH CH 3 F F F Ki = 0.8 nM 506.82 C[C@@H](NC(=O)[C@@](C)(O)C(F)(F)F)c1ncc(-c2cc(Cl)cc(F)c2-c2noc(CO)n2)cc1F Homo sapiens CHEMBL952241 cell-based format
CHEMBL3657620 OBDepict CH 3 O O Cl F N H H 3 C H O NH O O O N Ki = 0.8 nM 501.9 COC(=O)c1c(Cl)cccc1-c1ccc([C@@H](C)NC(=O)C2(NC(=O)c3ccno3)COC2)c(F)c1 Homo sapiens CHEMBL3706181 assay format
CHEMBL219083 OBDepict CH 3 O O F F N H O NH O F F F Ki = 0.81 nM 470.39 COC(=O)c1c(F)cccc1-c1ccc(CNC(=O)C2(NC(=O)CC(F)(F)F)CC2)c(F)c1 Homo sapiens CHEMBL913433 cell-based format
CHEMBL220371 OBDepict CH 3 O O F F NH CH 3 H O HN O Cl F F Ki = 0.81 nM 486.85 COC(=O)c1c(F)cccc1-c1ccc([C@@H](C)NC(=O)C2(NC(=O)C(F)(F)Cl)CC2)c(F)c1 Homo sapiens CHEMBL913433 cell-based format
CHEMBL182378 OBDepict N NH O N NH CH 3 O O H 3 C Ki = 0.83 nM 418.5 COC(=O)C1CC=CCC1c1ccc(CNc2nccc(C)c2NC(=O)CC#N)cc1 Homo sapiens CHEMBL826332 single protein format
CHEMBL207022 OBDepict CH 3 O O F F NH N N O N Ki = 0.85 nM 520.58 COC(=O)c1c(F)cccc1-c1ccc(CNc2ccc(C(=O)N3CCN(CC4CC4)CC3)cn2)c(F)c1 Homo sapiens CHEMBL858907 single protein format
CHEMBL404705 OBDepict F O F Cl Cl F N H H 3 C H O N H O F F F Ki = 0.9 nM 557.32 C[C@@H](NC(=O)C1(NC(=O)C(F)(F)F)CC1)c1ccc(-c2cc(Cl)cc(Cl)c2OC(CF)CF)cc1F Homo sapiens CHEMBL948902 assay format
CHEMBL404683 OBDepict CH 3 O Cl F NH CH 3 H O HN O F F F Ki = 0.9 nM 472.87 CCOc1c(Cl)cccc1-c1ccc([C@@H](C)NC(=O)C2(NC(=O)C(F)(F)F)CC2)c(F)c1 Homo sapiens CHEMBL948902 assay format
CHEMBL221288 OBDepict H 3 C O O F F HN CH 3 H O HN O CH 3 Ki = 0.93 nM 416.42 COC(=O)c1c(F)cccc1-c1ccc([C@@H](C)NC(=O)C2(NC(C)=O)CC2)c(F)c1 Homo sapiens CHEMBL913433 cell-based format
CHEMBL483858 OBDepict Cl F N N N N N F CH 3 N H CH 3 H O OH O Ki = 0.96 nM 478.89 C[C@@H](NC(=O)C1(O)CCOCC1)c1ncc(-c2cc(Cl)cc(F)c2-c2nnn(C)n2)cc1F Homo sapiens CHEMBL952241 cell-based format
CHEMBL484882 OBDepict Cl F N N N N N F CH 3 N H CH 3 O OH F F Ki = 1.0 nM 498.87 CC(NC(=O)C1(O)CCC(F)(F)C1)c1ncc(-c2cc(Cl)cc(F)c2-c2nnn(C)n2)cc1F Homo sapiens CHEMBL952241 cell-based format
CHEMBL3657621 OBDepict CH 3 O O Cl F N H H 3 C H O NH O O O N H 3 C Ki = 1.0 nM 515.93 COC(=O)c1c(Cl)cccc1-c1ccc([C@@H](C)NC(=O)C2(NC(=O)c3cc(C)no3)COC2)c(F)c1 Homo sapiens CHEMBL3706181 assay format
CHEMBL3657632 OBDepict Cl F N N N O F H 3 C N H H 3 C H O NH O O N N Ki = 1.0 nM 555.93 Cc1nc(-c2c(F)cc(Cl)cc2-c2cnc([C@@H](C)NC(=O)C3(NC(=O)c4ccnnc4)COC3)c(F)c2)no1 Homo sapiens CHEMBL3706181 assay format
CHEMBL2018866 OBDepict O N H H N S O O Cl Cl H NH N Ki = 1.0 nM 577.58 O=C(CC1c2ccccc2CCN1S(=O)(=O)c1ccc(Cl)c(Cl)c1)N[C@H]1CC[C@H](CCC2=NCCN2)CC1 Homo sapiens CHEMBL2019577 single protein format
CHEMBL3657630 OBDepict Cl F N N N N F CH 3 HN CH 3 H O N H O O O N CH 3 Ki = 1.0 nM 557.95 Cc1cc(C(=O)NC2(C(=O)N[C@H](C)c3ccc(-c4cc(Cl)cc(F)c4-c4nnn(C)n4)cc3F)COC2)on1 Homo sapiens CHEMBL3706181 assay format
CHEMBL189245 OBDepict O HN H N O N H S O O Cl Cl N N Ki = 1.09 nM 584.49 O=C(C[C@@H]1C(=O)Nc2ccccc2N1S(=O)(=O)c1ccc(Cl)c(Cl)c1)NCCc1ccc(-n2ccnc2)cc1 Homo sapiens CHEMBL828184 assay format
CHEMBL232354 OBDepict Cl F N N N N F CH 3 N H CH 3 H O N H O F F F Ki = 1.1 nM 528.87 C[C@@H](NC(=O)C1(NC(=O)C(F)(F)F)CC1)c1ccc(-c2cc(Cl)cc(F)c2-c2nnn(C)n2)cc1F Homo sapiens CHEMBL897541 single protein format
CHEMBL404280 OBDepict CH 3 O N O HN O NH O CH 3 H N F O Cl Cl F F Ki = 1.1 nM 587.38 CCOc1cc(C(=O)NC2(C(=O)N[C@H](C)c3ncc(-c4cc(Cl)cc(Cl)c4OCC(F)F)cc3F)CC2)on1 Homo sapiens CHEMBL948902 assay format
CHEMBL3657623 OBDepict H 3 C O N N N H O O HN O H 3 C H N F Cl F N N O H 3 C Ki = 1.1 nM 585.96 COc1ncc(C(=O)NC2(C(=O)N[C@H](C)c3ncc(-c4cc(Cl)cc(F)c4-c4noc(C)n4)cc3F)COC2)cn1 Homo sapiens CHEMBL3706181 assay format
CHEMBL3657613 OBDepict Cl F N N N O F H 3 C N H H 3 C H O NH O O N N Ki = 1.1 nM 555.93 Cc1nc(-c2c(F)cc(Cl)cc2-c2cnc([C@@H](C)NC(=O)C3(NC(=O)c4cncnc4)COC3)c(F)c2)no1 Homo sapiens CHEMBL3706181 assay format
CHEMBL225006 OBDepict N NH O N NH Cl H 3 C H F F F F Ki = 1.1 nM 476.86 C[C@@H](Nc1nccc(Cl)c1NC(=O)CC#N)c1ccc(-c2cccc(F)c2C(F)(F)F)cc1 Homo sapiens CHEMBL917703 cell-based format
CHEMBL3657651 OBDepict H 3 C O N N N H O O HN O H 3 C H F Cl F N N N N H 3 C Ki = 1.1 nM 584.97 COc1ncc(C(=O)NC2(C(=O)N[C@H](C)c3ccc(-c4cc(Cl)cc(F)c4-c4nnn(C)n4)cc3F)COC2)cn1 Homo sapiens CHEMBL3706181 assay format
CHEMBL225133 OBDepict N NH O N NH CH 3 CH 3 H CH 3 O O H 3 C Ki = 1.2 nM 442.52 COC(=O)c1ccc(C)cc1-c1ccc([C@@H](C)Nc2nccc(C)c2NC(=O)CC#N)cc1 Homo sapiens CHEMBL917703 cell-based format
CHEMBL3657631 OBDepict Cl F N N O F CH 3 HN CH 3 H O N H O O O N CH 3 Ki = 1.2 nM 557.94 Cc1cc(C(=O)NC2(C(=O)N[C@H](C)c3ccc(-c4cc(Cl)cc(F)c4-c4noc(C)n4)cc3F)COC2)on1 Homo sapiens CHEMBL3706181 assay format
CHEMBL232945 OBDepict CH 3 O O Cl N F HN H 3 C H O NH O F F F Ki = 1.2 nM 501.86 CCOC(=O)c1c(Cl)cccc1-c1cnc([C@@H](C)NC(=O)C2(NC(=O)C(F)(F)F)CC2)c(F)c1 Homo sapiens CHEMBL897541 single protein format
CHEMBL401619 OBDepict F F O Cl Cl N F HN CH 3 H O HN O N O Ki = 1.2 nM 543.33 C[C@@H](NC(=O)C1(NC(=O)c2ccon2)CC1)c1ncc(-c2cc(Cl)cc(Cl)c2OCC(F)F)cc1F Homo sapiens CHEMBL948902 assay format
CHEMBL488662 OBDepict F N N H N H O S NH O O O Ki = 1.2 nM 538.65 O=C(NCCCN1CCCC(F)C1)Nc1ccc(S(=O)(=O)Nc2ccccc2C(=O)c2ccccc2)cc1 Homo sapiens CHEMBL1021904 single protein format
CHEMBL3657643 OBDepict H 3 C O N N N H O O HN O H 3 C H N F Cl F N N N N H 3 C Ki = 1.2 nM 585.96 COc1ncc(C(=O)NC2(C(=O)N[C@H](C)c3ncc(-c4cc(Cl)cc(F)c4-c4nnn(C)n4)cc3F)COC2)cn1 Homo sapiens CHEMBL3706181 assay format
CHEMBL503847 OBDepict CH 3 N H O H NH O H N O HN S O O Cl Cl Ki = 1.2 nM 589.5 CNCc1ccc2c(c1)OCC[C@H]2NC(=O)C[C@@H]1C(=O)Nc2ccccc2N1S(=O)(=O)c1ccc(Cl)c(Cl)c1 Homo sapiens CHEMBL1005609 cell-based format
CHEMBL1939757 OBDepict O N H H N H O N H S O O H 3 C N CH 3 CH 3 Ki = 1.25 nM 496.63 Cc1ccc(S(=O)(=O)N2C=CNC(=O)[C@H]2CC(=O)N[C@@H]2CCCc3cc(CN(C)C)ccc32)cc1 Homo sapiens CHEMBL1943911 cell-based format
CHEMBL3657637 OBDepict Cl F N N N O F H 3 C N H H 3 C H O NH O O N Ki = 1.3 nM 554.94 Cc1nc(-c2c(F)cc(Cl)cc2-c2cnc([C@@H](C)NC(=O)C3(NC(=O)c4cccnc4)COC3)c(F)c2)no1 Homo sapiens CHEMBL3706181 assay format
CHEMBL404328 OBDepict CH 3 O Cl Cl F HN H 3 C H O NH O F F F Ki = 1.3 nM 507.31 CCOc1c(Cl)cc(Cl)cc1-c1ccc([C@@H](C)NC(=O)C2(NC(=O)C(F)(F)F)CC2)c(F)c1 Homo sapiens CHEMBL948902 assay format
CHEMBL1744084 OBDepict CH 3 N O H N H N N H O N N N Ki = 1.33 nM 579.75 CCCN1C(=O)[C@H](NC(=O)Nc2ccc(N3CCN(c4ccncc4)CC3)cc2)N=C(C2CCCCC2)c2ccccc21 Homo sapiens CHEMBL653556 single protein format
CHEMBL218553 OBDepict CH 3 O O Cl F HN H 3 C H O NH O F F F Ki = 1.35 nM 500.88 CCOC(=O)c1c(Cl)cccc1-c1ccc([C@@H](C)NC(=O)C2(NC(=O)C(F)(F)F)CC2)c(F)c1 Homo sapiens CHEMBL913433 cell-based format
CHEMBL233351 OBDepict Cl N N O F H 3 C HN H 3 C H O NH O F F F Ki = 1.39 nM 510.88 Cc1nc(-c2ccc(Cl)cc2-c2ccc([C@@H](C)NC(=O)C3(NC(=O)C(F)(F)F)CC3)c(F)c2)no1 Homo sapiens CHEMBL897541 single protein format
CHEMBL3657650 OBDepict CH 3 O N O N H O O N H O CH 3 H F Cl F N N N N CH 3 Ki = 1.4 nM 573.94 COc1cc(C(=O)NC2(C(=O)N[C@H](C)c3ccc(-c4cc(Cl)cc(F)c4-c4nnn(C)n4)cc3F)COC2)on1 Homo sapiens CHEMBL3706181 assay format
CHEMBL3657622 OBDepict CH 3 O N O N H O O N H O CH 3 H N F Cl F N N O CH 3 Ki = 1.4 nM 574.93 COc1cc(C(=O)NC2(C(=O)N[C@H](C)c3ncc(-c4cc(Cl)cc(F)c4-c4noc(C)n4)cc3F)COC2)on1 Homo sapiens CHEMBL3706181 assay format
CHEMBL208320 OBDepict CH 3 N N O N NH F O O F CH 3 Ki = 1.4 nM 522.6 CCCCN1CCN(C(=O)c2ccc(NCc3ccc(-c4cccc(F)c4C(=O)OC)cc3F)nc2)CC1 Homo sapiens CHEMBL858907 single protein format
CHEMBL3657635 OBDepict Cl F N N N O F CH 3 NH H 3 C H O HN O O N NH 2 Ki = 1.4 nM 569.96 Cc1nc(-c2c(F)cc(Cl)cc2-c2cnc([C@@H](C)NC(=O)C3(NC(=O)c4cncc(N)c4)COC3)c(F)c2)no1 Homo sapiens CHEMBL3706181 assay format