BindingDB Reactant_set_id Ligand SMILES Ligand InChI Ligand InChI Key BindingDB MonomerID BindingDB Ligand Name Target Name Target Source Organism According to Curator or DataSource Ki (nM) IC50 (nM) Kd (nM) EC50 (nM) kon (M-1-s-1) koff (s-1) pH Temp (C) Curation/DataSource Article DOI BindingDB Entry DOI PMID PubChem AID Patent Number Authors Institution Link to Ligand in BindingDB Link to Target in BindingDB Link to Ligand-Target Pair in BindingDB Ligand HET ID in PDB PDB ID(s) for Ligand-Target Complex PubChem CID of Ligand PubChem SID of Ligand ChEBI ID of Ligand ChEMBL ID of Ligand DrugBank ID of Ligand IUPHAR_GRAC ID of Ligand KEGG ID of Ligand ZINC ID of Ligand Number of Protein Chains in Target (>1 implies a multichain complex) BindingDB Target Chain Sequence PDB ID(s) of Target Chain UniProt (SwissProt) Recommended Name of Target Chain UniProt (SwissProt) Entry Name of Target Chain UniProt (SwissProt) Primary ID of Target Chain UniProt (SwissProt) Secondary ID(s) of Target Chain UniProt (SwissProt) Alternative ID(s) of Target Chain UniProt (TrEMBL) Submitted Name of Target Chain UniProt (TrEMBL) Entry Name of Target Chain UniProt (TrEMBL) Primary ID of Target Chain UniProt (TrEMBL) Secondary ID(s) of Target Chain UniProt (TrEMBL) Alternative ID(s) of Target Chain 51254363 Cc1nn(C)cc1NC(=O)[C@@H]1CCCC[C@H]1C(=O)c1ccc(cc1)-c1cc[nH]n1 InChI=1S/C22H25N5O2/c1-14-20(13-27(2)26-14)24-22(29)18-6-4-3-5-17(18)21(28)16-9-7-15(8-10-16)19-11-12-23-25-19/h7-13,17-18H,3-6H2,1-2H3,(H,23,25)(H,24,29)/t17-,18-/m1/s1 BQHSTPGWZQFYTH-QZTJIDSGSA-N 50512926 CHEMBL4554389 Cytochrome P450 4B1 <19953 ChEMBL 10.1021/acs.jmedchem.8b02012 10.7270/Q2S75KP2 30929436 Lemurell, M; Ulander, J; Emtenäs, H; Winiwarter, S; Broddefalk, J; Swanson, M; Hayes, MA; Prieto Garcia, L; Westin Eriksson, A; Meuller, J; Cassel, J; Saarinen, G; Yuan, ZQ; Löfberg, C; Karlsson, S; Sundqvist, M; Whatling, C TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50512926 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000438&target=Cytochrome+P450+4B1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50512926&enzyme=Cytochrome+P450+4B1&column=ki&startPg=0&Increment=50&submit=Search 155555980 440721508 1 MVPSFLSLSFSSLGLWASGLILVLGFLKLIHLLLRRQTLAKAMDKFPGPPTHWLFGHALEIQETGSLDKVVSWAHQFPYAHPLWFGQFIGFLNIYEPDYAKAVYSRGDPKAPDVYDFFLQWIGRGLLVLEGPKWLQHRKLLTPGFHYDVLKPYVAVFTESTRIMLDKWEEKAREGKSFDIFCDVGHMALNTLMKCTFGRGDTGLGHRDSSYYLAVSDLTLLMQQRLVSFQYHNDFIYWLTPHGRRFLRACQVAHDHTDQVIRERKAALQDEKVRKKIQNRRHLDFLDILLGARDEDDIKLSDADLRAEVDTFMFEGHDTTTSGISWFLYCMALYPEHQHRCREEVREILGDQDFFQWDDLGKMTYLTMCIKESFRLYPPVPQVYRQLSKPVTFVDGRSLPAGSLISMHIYALHRNSAVWPDPEVFDSLRFSTENASKRHPFAFMPFSAGPRNCIGQQFAMSEMKVVTAMCLLRFEFSLDPSRLPIKMPQLVLRSKNGFHLHLKPLGPGSGK Cytochrome P450 4B1 CP4B1_HUMAN P13584 Q1HBI2 Q8TD85 Q8WWF2 Q8WWU9 Q8WWV0 51254364 Cc1cc(n[nH]1)-c1ccc(cc1)C(=O)[C@@H]1CCCC[C@H]1C(=O)Nc1cn(C)nc1C InChI=1S/C23H27N5O2/c1-14-12-20(26-25-14)16-8-10-17(11-9-16)22(29)18-6-4-5-7-19(18)23(30)24-21-13-28(3)27-15(21)2/h8-13,18-19H,4-7H2,1-3H3,(H,24,30)(H,25,26)/t18-,19-/m1/s1 ICJANEWBKSXXPZ-RTBURBONSA-N 50512931 CHEMBL4528928 Cytochrome P450 4B1 <25119 ChEMBL 10.1021/acs.jmedchem.8b02012 10.7270/Q2S75KP2 30929436 Lemurell, M; Ulander, J; Emtenäs, H; Winiwarter, S; Broddefalk, J; Swanson, M; Hayes, MA; Prieto Garcia, L; Westin Eriksson, A; Meuller, J; Cassel, J; Saarinen, G; Yuan, ZQ; Löfberg, C; Karlsson, S; Sundqvist, M; Whatling, C TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50512931 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000438&target=Cytochrome+P450+4B1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50512931&enzyme=Cytochrome+P450+4B1&column=ki&startPg=0&Increment=50&submit=Search 155545031 440721513 1 MVPSFLSLSFSSLGLWASGLILVLGFLKLIHLLLRRQTLAKAMDKFPGPPTHWLFGHALEIQETGSLDKVVSWAHQFPYAHPLWFGQFIGFLNIYEPDYAKAVYSRGDPKAPDVYDFFLQWIGRGLLVLEGPKWLQHRKLLTPGFHYDVLKPYVAVFTESTRIMLDKWEEKAREGKSFDIFCDVGHMALNTLMKCTFGRGDTGLGHRDSSYYLAVSDLTLLMQQRLVSFQYHNDFIYWLTPHGRRFLRACQVAHDHTDQVIRERKAALQDEKVRKKIQNRRHLDFLDILLGARDEDDIKLSDADLRAEVDTFMFEGHDTTTSGISWFLYCMALYPEHQHRCREEVREILGDQDFFQWDDLGKMTYLTMCIKESFRLYPPVPQVYRQLSKPVTFVDGRSLPAGSLISMHIYALHRNSAVWPDPEVFDSLRFSTENASKRHPFAFMPFSAGPRNCIGQQFAMSEMKVVTAMCLLRFEFSLDPSRLPIKMPQLVLRSKNGFHLHLKPLGPGSGK Cytochrome P450 4B1 CP4B1_HUMAN P13584 Q1HBI2 Q8TD85 Q8WWF2 Q8WWU9 Q8WWV0 51254365 O=C(Nc1cnn2cccnc12)[C@@H]1CCCC[C@H]1C(=O)c1ccc(cc1)-c1cc[nH]n1 InChI=1S/C23H22N6O2/c30-21(16-8-6-15(7-9-16)19-10-12-25-28-19)17-4-1-2-5-18(17)23(31)27-20-14-26-29-13-3-11-24-22(20)29/h3,6-14,17-18H,1-2,4-5H2,(H,25,28)(H,27,31)/t17-,18-/m1/s1 MJJOCVSZEMTHJQ-QZTJIDSGSA-N 50512922 CHEMBL4533700 Cytochrome P450 4B1 <19953 ChEMBL 10.1021/acs.jmedchem.8b02012 10.7270/Q2S75KP2 30929436 Lemurell, M; Ulander, J; Emtenäs, H; Winiwarter, S; Broddefalk, J; Swanson, M; Hayes, MA; Prieto Garcia, L; Westin Eriksson, A; Meuller, J; Cassel, J; Saarinen, G; Yuan, ZQ; Löfberg, C; Karlsson, S; Sundqvist, M; Whatling, C TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50512922 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000438&target=Cytochrome+P450+4B1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50512922&enzyme=Cytochrome+P450+4B1&column=ki&startPg=0&Increment=50&submit=Search 155547317 440721504 1 MVPSFLSLSFSSLGLWASGLILVLGFLKLIHLLLRRQTLAKAMDKFPGPPTHWLFGHALEIQETGSLDKVVSWAHQFPYAHPLWFGQFIGFLNIYEPDYAKAVYSRGDPKAPDVYDFFLQWIGRGLLVLEGPKWLQHRKLLTPGFHYDVLKPYVAVFTESTRIMLDKWEEKAREGKSFDIFCDVGHMALNTLMKCTFGRGDTGLGHRDSSYYLAVSDLTLLMQQRLVSFQYHNDFIYWLTPHGRRFLRACQVAHDHTDQVIRERKAALQDEKVRKKIQNRRHLDFLDILLGARDEDDIKLSDADLRAEVDTFMFEGHDTTTSGISWFLYCMALYPEHQHRCREEVREILGDQDFFQWDDLGKMTYLTMCIKESFRLYPPVPQVYRQLSKPVTFVDGRSLPAGSLISMHIYALHRNSAVWPDPEVFDSLRFSTENASKRHPFAFMPFSAGPRNCIGQQFAMSEMKVVTAMCLLRFEFSLDPSRLPIKMPQLVLRSKNGFHLHLKPLGPGSGK Cytochrome P450 4B1 CP4B1_HUMAN P13584 Q1HBI2 Q8TD85 Q8WWF2 Q8WWU9 Q8WWV0 51254392 Cc1nn(C)cc1NC(=O)[C@@H]1CCCC[C@H]1C(=O)c1ccc(cc1F)-c1cc[nH]n1 InChI=1S/C22H24FN5O2/c1-13-20(12-28(2)27-13)25-22(30)16-6-4-3-5-15(16)21(29)17-8-7-14(11-18(17)23)19-9-10-24-26-19/h7-12,15-16H,3-6H2,1-2H3,(H,24,26)(H,25,30)/t15-,16-/m1/s1 CTRKOYLEBIFWAO-HZPDHXFCSA-N 50512919 CHEMBL4554158 Cytochrome P450 4B1 <19953 ChEMBL 10.1021/acs.jmedchem.8b02012 10.7270/Q2S75KP2 30929436 Lemurell, M; Ulander, J; Emtenäs, H; Winiwarter, S; Broddefalk, J; Swanson, M; Hayes, MA; Prieto Garcia, L; Westin Eriksson, A; Meuller, J; Cassel, J; Saarinen, G; Yuan, ZQ; Löfberg, C; Karlsson, S; Sundqvist, M; Whatling, C TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50512919 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000438&target=Cytochrome+P450+4B1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50512919&enzyme=Cytochrome+P450+4B1&column=ki&startPg=0&Increment=50&submit=Search 155555928 440721501 1 MVPSFLSLSFSSLGLWASGLILVLGFLKLIHLLLRRQTLAKAMDKFPGPPTHWLFGHALEIQETGSLDKVVSWAHQFPYAHPLWFGQFIGFLNIYEPDYAKAVYSRGDPKAPDVYDFFLQWIGRGLLVLEGPKWLQHRKLLTPGFHYDVLKPYVAVFTESTRIMLDKWEEKAREGKSFDIFCDVGHMALNTLMKCTFGRGDTGLGHRDSSYYLAVSDLTLLMQQRLVSFQYHNDFIYWLTPHGRRFLRACQVAHDHTDQVIRERKAALQDEKVRKKIQNRRHLDFLDILLGARDEDDIKLSDADLRAEVDTFMFEGHDTTTSGISWFLYCMALYPEHQHRCREEVREILGDQDFFQWDDLGKMTYLTMCIKESFRLYPPVPQVYRQLSKPVTFVDGRSLPAGSLISMHIYALHRNSAVWPDPEVFDSLRFSTENASKRHPFAFMPFSAGPRNCIGQQFAMSEMKVVTAMCLLRFEFSLDPSRLPIKMPQLVLRSKNGFHLHLKPLGPGSGK Cytochrome P450 4B1 CP4B1_HUMAN P13584 Q1HBI2 Q8TD85 Q8WWF2 Q8WWU9 Q8WWV0 51250494 Nc1nc2cccc(-c3cccc(Cl)c3Cl)n2n1 InChI=1S/C12H8Cl2N4/c13-8-4-1-3-7(11(8)14)9-5-2-6-10-16-12(15)17-18(9)10/h1-6H,(H2,15,17) JFVBFJXXXHHBSP-UHFFFAOYSA-N 50511451 CHEMBL4570428 Cytochrome P450 4B1 >25000 ChEMBL 10.1021/acsmedchemlett.9b00420 10.7270/Q2PV6PPZ 32184970 Farand, J; Kropf, JE; Blomgren, P; Xu, J; Schmitt, AC; Newby, ZE; Wang, T; Murakami, E; Barauskas, O; Sudhamsu, J; Feng, JY; Niedziela-Majka, A; Schultz, BE; Schwartz, K; Viatchenko-Karpinski, S; Kornyeyev, D; Kashishian, A; Fan, P; Chen, X; Lansdon, EB; Ports, MO; Currie, KS; Watkins, WJ; Notte, GT Gilead Sciences, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50511451 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000438&target=Cytochrome+P450+4B1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50511451&enzyme=Cytochrome+P450+4B1&column=ki&startPg=0&Increment=50&submit=Search GN6 6US4 82556507 440720033 1 MVPSFLSLSFSSLGLWASGLILVLGFLKLIHLLLRRQTLAKAMDKFPGPPTHWLFGHALEIQETGSLDKVVSWAHQFPYAHPLWFGQFIGFLNIYEPDYAKAVYSRGDPKAPDVYDFFLQWIGRGLLVLEGPKWLQHRKLLTPGFHYDVLKPYVAVFTESTRIMLDKWEEKAREGKSFDIFCDVGHMALNTLMKCTFGRGDTGLGHRDSSYYLAVSDLTLLMQQRLVSFQYHNDFIYWLTPHGRRFLRACQVAHDHTDQVIRERKAALQDEKVRKKIQNRRHLDFLDILLGARDEDDIKLSDADLRAEVDTFMFEGHDTTTSGISWFLYCMALYPEHQHRCREEVREILGDQDFFQWDDLGKMTYLTMCIKESFRLYPPVPQVYRQLSKPVTFVDGRSLPAGSLISMHIYALHRNSAVWPDPEVFDSLRFSTENASKRHPFAFMPFSAGPRNCIGQQFAMSEMKVVTAMCLLRFEFSLDPSRLPIKMPQLVLRSKNGFHLHLKPLGPGSGK Cytochrome P450 4B1 CP4B1_HUMAN P13584 Q1HBI2 Q8TD85 Q8WWF2 Q8WWU9 Q8WWV0 51242726 Cc1cn(C2CCCCC2)c2ccc(cc12)C(=O)NS(=O)(=O)C1CC1 InChI=1S/C19H24N2O3S/c1-13-12-21(15-5-3-2-4-6-15)18-10-7-14(11-17(13)18)19(22)20-25(23,24)16-8-9-16/h7,10-12,15-16H,2-6,8-9H2,1H3,(H,20,22) LSOLDNQAQRHMKA-UHFFFAOYSA-N 50508662 CHEMBL4435025 Cytochrome P450 4B1 >10000 ChEMBL 10.1016/j.bmcl.2018.12.013 10.7270/Q2K64NC8 30638874 Wu, YJ; Venables, B; Guernon, J; Chen, J; Sit, SY; Rajamani, R; Knox, RJ; Matchett, M; Pieschl, RL; Herrington, J; Bristow, LJ; Meanwell, NA; Thompson, LA; Dzierba, C Bristol-Myers Squibb Research and Development http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50508662 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000438&target=Cytochrome+P450+4B1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50508662&enzyme=Cytochrome+P450+4B1&column=ki&startPg=0&Increment=50&submit=Search 155511032 440717247 1 MVPSFLSLSFSSLGLWASGLILVLGFLKLIHLLLRRQTLAKAMDKFPGPPTHWLFGHALEIQETGSLDKVVSWAHQFPYAHPLWFGQFIGFLNIYEPDYAKAVYSRGDPKAPDVYDFFLQWIGRGLLVLEGPKWLQHRKLLTPGFHYDVLKPYVAVFTESTRIMLDKWEEKAREGKSFDIFCDVGHMALNTLMKCTFGRGDTGLGHRDSSYYLAVSDLTLLMQQRLVSFQYHNDFIYWLTPHGRRFLRACQVAHDHTDQVIRERKAALQDEKVRKKIQNRRHLDFLDILLGARDEDDIKLSDADLRAEVDTFMFEGHDTTTSGISWFLYCMALYPEHQHRCREEVREILGDQDFFQWDDLGKMTYLTMCIKESFRLYPPVPQVYRQLSKPVTFVDGRSLPAGSLISMHIYALHRNSAVWPDPEVFDSLRFSTENASKRHPFAFMPFSAGPRNCIGQQFAMSEMKVVTAMCLLRFEFSLDPSRLPIKMPQLVLRSKNGFHLHLKPLGPGSGK Cytochrome P450 4B1 CP4B1_HUMAN P13584 Q1HBI2 Q8TD85 Q8WWF2 Q8WWU9 Q8WWV0 51276874 OC[C@]1(O)CN(C[C@@H]1S(=O)(=O)c1ccc(Cl)cc1)S(=O)(=O)c1ccc(cc1Cl)C#N InChI=1S/C18H16Cl2N2O6S2/c19-13-2-4-14(5-3-13)29(25,26)17-9-22(10-18(17,24)11-23)30(27,28)16-6-1-12(8-21)7-15(16)20/h1-7,17,23-24H,9-11H2/t17-,18+/m0/s1 TUADROHZTJLERW-ZWKOTPCHSA-N 50505550 CHEMBL4439190::US11260049, Ex. 2 Cytochrome P450 4B1 >10000 ChEMBL 10.1021/acs.jmedchem.8b01344 10.7270/Q2KW5KD5 30500190 Pero, JE; Matthews, JM; Behm, DJ; Brnardic, EJ; Brooks, C; Budzik, BW; Costell, MH; Donatelli, CA; Eisennagel, SH; Erhard, K; Fischer, MC; Holt, DA; Jolivette, LJ; Li, H; Li, P; McAtee, JJ; McCleland, BW; Pendrak, I; Posobiec, LM; Rivera, KLK; Rivero, RA; Roethke, TJ; Sender, MR; Shu, A; Terrell, LR; Vaidya, K; Xu, X; Lawhorn, BG TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50505550 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000438&target=Cytochrome+P450+4B1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50505550&enzyme=Cytochrome+P450+4B1&column=ki&startPg=0&Increment=50&submit=Search 134374895 440714135 1 MVPSFLSLSFSSLGLWASGLILVLGFLKLIHLLLRRQTLAKAMDKFPGPPTHWLFGHALEIQETGSLDKVVSWAHQFPYAHPLWFGQFIGFLNIYEPDYAKAVYSRGDPKAPDVYDFFLQWIGRGLLVLEGPKWLQHRKLLTPGFHYDVLKPYVAVFTESTRIMLDKWEEKAREGKSFDIFCDVGHMALNTLMKCTFGRGDTGLGHRDSSYYLAVSDLTLLMQQRLVSFQYHNDFIYWLTPHGRRFLRACQVAHDHTDQVIRERKAALQDEKVRKKIQNRRHLDFLDILLGARDEDDIKLSDADLRAEVDTFMFEGHDTTTSGISWFLYCMALYPEHQHRCREEVREILGDQDFFQWDDLGKMTYLTMCIKESFRLYPPVPQVYRQLSKPVTFVDGRSLPAGSLISMHIYALHRNSAVWPDPEVFDSLRFSTENASKRHPFAFMPFSAGPRNCIGQQFAMSEMKVVTAMCLLRFEFSLDPSRLPIKMPQLVLRSKNGFHLHLKPLGPGSGK Cytochrome P450 4B1 CP4B1_HUMAN P13584 Q1HBI2 Q8TD85 Q8WWF2 Q8WWU9 Q8WWV0 51325222 C[C@H]1CC[C@@H](CC1)C(=O)N(CC(=O)N1CCOCC1)c1cc(sc1C(O)=O)C#CC(C)(C)C InChI=1S/C25H34N2O5S/c1-17-5-7-18(8-6-17)23(29)27(16-21(28)26-11-13-32-14-12-26)20-15-19(9-10-25(2,3)4)33-22(20)24(30)31/h15,17-18H,5-8,11-14,16H2,1-4H3,(H,30,31)/t17-,18- CJMUCUZDSIJPFR-IYARVYRRSA-N 50536234 CHEMBL4580214 Cytochrome P450 4B1 >40000 ChEMBL 10.1021/acs.jmedchem.6b00541 10.7270/Q23T9MQ3 27366941 Court, JJ; Poisson, C; Ardzinski, A; Bilimoria, D; Chan, L; Chandupatla, K; Chauret, N; Collier, PN; Das, SK; Denis, F; Dorsch, W; Iyer, G; Lauffer, D; L'Heureux, L; Li, P; Luisi, BS; Mani, N; Nanthakumar, S; Nicolas, O; Rao, BG; Ronkin, S; Selliah, S; Shawgo, RS; Tang, Q; Waal, ND; Yannopoulos, CG; Green, J Vertex Pharmaceuticals Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50536234 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000438&target=Cytochrome+P450+4B1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50536234&enzyme=Cytochrome+P450+4B1&column=ki&startPg=0&Increment=50&submit=Search 56597872 440744816 1 MVPSFLSLSFSSLGLWASGLILVLGFLKLIHLLLRRQTLAKAMDKFPGPPTHWLFGHALEIQETGSLDKVVSWAHQFPYAHPLWFGQFIGFLNIYEPDYAKAVYSRGDPKAPDVYDFFLQWIGRGLLVLEGPKWLQHRKLLTPGFHYDVLKPYVAVFTESTRIMLDKWEEKAREGKSFDIFCDVGHMALNTLMKCTFGRGDTGLGHRDSSYYLAVSDLTLLMQQRLVSFQYHNDFIYWLTPHGRRFLRACQVAHDHTDQVIRERKAALQDEKVRKKIQNRRHLDFLDILLGARDEDDIKLSDADLRAEVDTFMFEGHDTTTSGISWFLYCMALYPEHQHRCREEVREILGDQDFFQWDDLGKMTYLTMCIKESFRLYPPVPQVYRQLSKPVTFVDGRSLPAGSLISMHIYALHRNSAVWPDPEVFDSLRFSTENASKRHPFAFMPFSAGPRNCIGQQFAMSEMKVVTAMCLLRFEFSLDPSRLPIKMPQLVLRSKNGFHLHLKPLGPGSGK Cytochrome P450 4B1 CP4B1_HUMAN P13584 Q1HBI2 Q8TD85 Q8WWF2 Q8WWU9 Q8WWV0 51296204 COc1nn2cc(nc2s1)-c1cc2c(OCc3cccc(OCc4ccccc4)c3)cc(OC)cc2o1 InChI=1S/C28H23N3O5S/c1-32-21-12-24(35-17-19-9-6-10-20(11-19)34-16-18-7-4-3-5-8-18)22-14-26(36-25(22)13-21)23-15-31-27(29-23)37-28(30-31)33-2/h3-15H,16-17H2,1-2H3 LFOIDLOIBZFWDO-UHFFFAOYSA-N 364746 6-(4-((3-(Benzyloxy)benzyl)oxy)-6-methoxybenzofuran-2-yl)-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole::US9862730, Example 205 Cytochrome P450 4B1 >40000 ChEMBL 10.1021/acs.jmedchem.9b00186 10.7270/Q2QC06ZZ 31246024 Miller, MM; Banville, J; Friends, TJ; Gagnon, M; Hangeland, JJ; Lavallée, JF; Martel, A; O'Grady, H; Rémillard, R; Ruediger, E; Tremblay, F; Posy, SL; Allegretto, NJ; Guarino, VR; Harden, DG; Harper, TW; Hartl, K; Josephs, J; Malmstrom, S; Watson, C; Yang, Y; Zhang, G; Wong, P; Yang, J; Bouvier, M; Seiffert, DA; Wexler, RR; Lawrence, RM; Priestley, ES; Marinier, A Bristol-Myers Squibb Research & Development http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=364746 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000438&target=Cytochrome+P450+4B1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=364746&enzyme=Cytochrome+P450+4B1&column=ki&startPg=0&Increment=50&submit=Search 71770951 401960161 1 MVPSFLSLSFSSLGLWASGLILVLGFLKLIHLLLRRQTLAKAMDKFPGPPTHWLFGHALEIQETGSLDKVVSWAHQFPYAHPLWFGQFIGFLNIYEPDYAKAVYSRGDPKAPDVYDFFLQWIGRGLLVLEGPKWLQHRKLLTPGFHYDVLKPYVAVFTESTRIMLDKWEEKAREGKSFDIFCDVGHMALNTLMKCTFGRGDTGLGHRDSSYYLAVSDLTLLMQQRLVSFQYHNDFIYWLTPHGRRFLRACQVAHDHTDQVIRERKAALQDEKVRKKIQNRRHLDFLDILLGARDEDDIKLSDADLRAEVDTFMFEGHDTTTSGISWFLYCMALYPEHQHRCREEVREILGDQDFFQWDDLGKMTYLTMCIKESFRLYPPVPQVYRQLSKPVTFVDGRSLPAGSLISMHIYALHRNSAVWPDPEVFDSLRFSTENASKRHPFAFMPFSAGPRNCIGQQFAMSEMKVVTAMCLLRFEFSLDPSRLPIKMPQLVLRSKNGFHLHLKPLGPGSGK Cytochrome P450 4B1 CP4B1_HUMAN P13584 Q1HBI2 Q8TD85 Q8WWF2 Q8WWU9 Q8WWV0 51298944 OCCNC(=O)CNc1nonc1\C(N[C@H]1Cc2ccc(F)cc12)=N\O InChI=1S/C15H17FN6O4/c16-9-2-1-8-5-11(10(8)6-9)19-15(20-25)13-14(22-26-21-13)18-7-12(24)17-3-4-23/h1-2,6,11,23,25H,3-5,7H2,(H,17,24)(H,18,22)(H,19,20)/t11-/m0/s1 OLPQNOYGDGMZSU-NSHDSACASA-N 50529361 CHEMBL4515137::US10988487, Example 52 Cytochrome P450 4B1 >50000 ChEMBL 10.1021/acsmedchemlett.9b00344 10.7270/Q22B92G6 31749906 Zhang, H; Liu, K; Pu, Q; Achab, A; Ardolino, MJ; Cheng, M; Deng, Y; Doty, AC; Ferguson, H; Fradera, X; Knemeyer, I; Kurukulasuriya, R; Lam, YH; Lesburg, CA; Martinot, TA; McGowan, MA; Miller, JR; Otte, K; Biju, PJ; Sciammetta, N; Solban, N; Yu, W; Zhou, H; Wang, X; Bennett, DJ; Han, Y Merck & Co., Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50529361 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000438&target=Cytochrome+P450+4B1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50529361&enzyme=Cytochrome+P450+4B1&column=ki&startPg=0&Increment=50&submit=Search 137297350 440737943 C04080 1 MVPSFLSLSFSSLGLWASGLILVLGFLKLIHLLLRRQTLAKAMDKFPGPPTHWLFGHALEIQETGSLDKVVSWAHQFPYAHPLWFGQFIGFLNIYEPDYAKAVYSRGDPKAPDVYDFFLQWIGRGLLVLEGPKWLQHRKLLTPGFHYDVLKPYVAVFTESTRIMLDKWEEKAREGKSFDIFCDVGHMALNTLMKCTFGRGDTGLGHRDSSYYLAVSDLTLLMQQRLVSFQYHNDFIYWLTPHGRRFLRACQVAHDHTDQVIRERKAALQDEKVRKKIQNRRHLDFLDILLGARDEDDIKLSDADLRAEVDTFMFEGHDTTTSGISWFLYCMALYPEHQHRCREEVREILGDQDFFQWDDLGKMTYLTMCIKESFRLYPPVPQVYRQLSKPVTFVDGRSLPAGSLISMHIYALHRNSAVWPDPEVFDSLRFSTENASKRHPFAFMPFSAGPRNCIGQQFAMSEMKVVTAMCLLRFEFSLDPSRLPIKMPQLVLRSKNGFHLHLKPLGPGSGK Cytochrome P450 4B1 CP4B1_HUMAN P13584 Q1HBI2 Q8TD85 Q8WWF2 Q8WWU9 Q8WWV0 51295106 COc1nn(C)cc1Nc1nccc(n1)-c1c[nH]c2c(NC(=O)[C@@H](C)N3CCN(C)CC3)cccc12 264212 (2R)-N-(3-{2-[(3- methoxy-1-methyl- 1H-pyrazol-4-yl)amino] pyrimidin-4- yl}-1H-indol-7-yl)-2-(4- methylpiperazin-1- yl)propanamide::US10167276, Example 32::US10654835, Example 32::US11247983, Example 32::US9714236, 32 Cytochrome P450 4B1 >30000 ChEMBL 10.1021/acs.jmedchem.9b01392 10.7270/Q21V5JDF 32297743 Su, Q; Banks, E; Bebernitz, G; Bell, K; Borenstein, CF; Chen, H; Chuaqui, CE; Deng, N; Ferguson, AD; Kawatkar, S; Grimster, NP; Ruston, L; Lyne, PD; Read, JA; Peng, X; Pei, X; Fawell, S; Tang, Z; Throner, S; Vasbinder, MM; Wang, H; Winter-Holt, J; Woessner, R; Wu, A; Yang, W; Zinda, M; Kettle, JG AstraZeneca http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=264212 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000438&target=Cytochrome+P450+4B1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=264212&enzyme=Cytochrome+P450+4B1&column=ki&startPg=0&Increment=50&submit=Search 126715380 377003096 1 MVPSFLSLSFSSLGLWASGLILVLGFLKLIHLLLRRQTLAKAMDKFPGPPTHWLFGHALEIQETGSLDKVVSWAHQFPYAHPLWFGQFIGFLNIYEPDYAKAVYSRGDPKAPDVYDFFLQWIGRGLLVLEGPKWLQHRKLLTPGFHYDVLKPYVAVFTESTRIMLDKWEEKAREGKSFDIFCDVGHMALNTLMKCTFGRGDTGLGHRDSSYYLAVSDLTLLMQQRLVSFQYHNDFIYWLTPHGRRFLRACQVAHDHTDQVIRERKAALQDEKVRKKIQNRRHLDFLDILLGARDEDDIKLSDADLRAEVDTFMFEGHDTTTSGISWFLYCMALYPEHQHRCREEVREILGDQDFFQWDDLGKMTYLTMCIKESFRLYPPVPQVYRQLSKPVTFVDGRSLPAGSLISMHIYALHRNSAVWPDPEVFDSLRFSTENASKRHPFAFMPFSAGPRNCIGQQFAMSEMKVVTAMCLLRFEFSLDPSRLPIKMPQLVLRSKNGFHLHLKPLGPGSGK Cytochrome P450 4B1 CP4B1_HUMAN P13584 Q1HBI2 Q8TD85 Q8WWF2 Q8WWU9 Q8WWV0 51292857 Cc1cc2ncnn2cc1Nc1ncc2n(C)c(=O)n(C3CCOCC3)c2n1 InChI=1S/C18H20N8O2/c1-11-7-15-20-10-21-25(15)9-13(11)22-17-19-8-14-16(23-17)26(18(27)24(14)2)12-3-5-28-6-4-12/h7-10,12H,3-6H2,1-2H3,(H,19,22,23) XISVSTPEXYIKJL-UHFFFAOYSA-N 413450 7-methyl-2-((7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino)-9-(tetrahydro-2H-pyran-4-yl)-7,9-dihydro-8H-purin-8-one::US10407446, Example 3::US11136340, Example 3 Cytochrome P450 4B1 >30000 ChEMBL 10.1021/acs.jmedchem.9b01684 10.7270/Q22Z18Z4 31851518 Goldberg, FW; Finlay, MRV; Ting, AKT; Beattie, D; Lamont, GM; Fallan, C; Wrigley, GL; Schimpl, M; Howard, MR; Williamson, B; Vazquez-Chantada, M; Barratt, DG; Davies, BR; Cadogan, EB; Ramos-Montoya, A; Dean, E AstraZeneca http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=413450 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000438&target=Cytochrome+P450+4B1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=413450&enzyme=Cytochrome+P450+4B1&column=ki&startPg=0&Increment=50&submit=Search BW 6T3C,7OTW 1 MVPSFLSLSFSSLGLWASGLILVLGFLKLIHLLLRRQTLAKAMDKFPGPPTHWLFGHALEIQETGSLDKVVSWAHQFPYAHPLWFGQFIGFLNIYEPDYAKAVYSRGDPKAPDVYDFFLQWIGRGLLVLEGPKWLQHRKLLTPGFHYDVLKPYVAVFTESTRIMLDKWEEKAREGKSFDIFCDVGHMALNTLMKCTFGRGDTGLGHRDSSYYLAVSDLTLLMQQRLVSFQYHNDFIYWLTPHGRRFLRACQVAHDHTDQVIRERKAALQDEKVRKKIQNRRHLDFLDILLGARDEDDIKLSDADLRAEVDTFMFEGHDTTTSGISWFLYCMALYPEHQHRCREEVREILGDQDFFQWDDLGKMTYLTMCIKESFRLYPPVPQVYRQLSKPVTFVDGRSLPAGSLISMHIYALHRNSAVWPDPEVFDSLRFSTENASKRHPFAFMPFSAGPRNCIGQQFAMSEMKVVTAMCLLRFEFSLDPSRLPIKMPQLVLRSKNGFHLHLKPLGPGSGK Cytochrome P450 4B1 CP4B1_HUMAN P13584 Q1HBI2 Q8TD85 Q8WWF2 Q8WWU9 Q8WWV0 51342229 C[C@H](C(=O)Nc1ccc(F)cc1)C12CC(C1)(C2)NC(=O)c1ccc(F)c(F)c1 InChI=1S/C21H19F3N2O2/c1-12(18(27)25-15-5-3-14(22)4-6-15)20-9-21(10-20,11-20)26-19(28)13-2-7-16(23)17(24)8-13/h2-8,12H,9-11H2,1H3,(H,25,27)(H,26,28)/t12-,20?,21?/m1/s1 QXQPETGZKGQABI-BQXHSLBWSA-N 50543291 CHEMBL4644751 Cytochrome P450 4B1 >50000 ChEMBL 10.1021/acsmedchemlett.0c00195 10.7270/Q2RB786J 32832022 Pu, Q; Zhang, H; Guo, L; Cheng, M; Doty, AC; Ferguson, H; Fradera, X; Lesburg, CA; McGowan, MA; Miller, JR; Geda, P; Song, X; Otte, K; Sciammetta, N; Solban, N; Yu, W; Sloman, DL; Zhou, H; Lammens, A; Neumann, L; Bennett, DJ; Pasternak, A; Han, Y Merck & Co. Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50543291 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000438&target=Cytochrome+P450+4B1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50543291&enzyme=Cytochrome+P450+4B1&column=ki&startPg=0&Increment=50&submit=Search 156018037 442144854 1 MVPSFLSLSFSSLGLWASGLILVLGFLKLIHLLLRRQTLAKAMDKFPGPPTHWLFGHALEIQETGSLDKVVSWAHQFPYAHPLWFGQFIGFLNIYEPDYAKAVYSRGDPKAPDVYDFFLQWIGRGLLVLEGPKWLQHRKLLTPGFHYDVLKPYVAVFTESTRIMLDKWEEKAREGKSFDIFCDVGHMALNTLMKCTFGRGDTGLGHRDSSYYLAVSDLTLLMQQRLVSFQYHNDFIYWLTPHGRRFLRACQVAHDHTDQVIRERKAALQDEKVRKKIQNRRHLDFLDILLGARDEDDIKLSDADLRAEVDTFMFEGHDTTTSGISWFLYCMALYPEHQHRCREEVREILGDQDFFQWDDLGKMTYLTMCIKESFRLYPPVPQVYRQLSKPVTFVDGRSLPAGSLISMHIYALHRNSAVWPDPEVFDSLRFSTENASKRHPFAFMPFSAGPRNCIGQQFAMSEMKVVTAMCLLRFEFSLDPSRLPIKMPQLVLRSKNGFHLHLKPLGPGSGK Cytochrome P450 4B1 CP4B1_HUMAN P13584 Q1HBI2 Q8TD85 Q8WWF2 Q8WWU9 Q8WWV0 51342391 Cn1cc(cc(NC(=O)[C@@H]2C[C@@H]2F)c1=O)-c1ccnc(c1CO)-n1ncc2cc(cc(F)c2c1=O)C(C)(C)C InChI=1S/C28H27F2N5O4/c1-28(2,3)16-7-14-11-32-35(27(39)23(14)21(30)9-16)24-19(13-36)17(5-6-31-24)15-8-22(26(38)34(4)12-15)33-25(37)18-10-20(18)29/h5-9,11-12,18,20,36H,10,13H2,1-4H3,(H,33,37)/t18-,20+/m1/s1 SEGFWFQHVPYNMS-QUCCMNQESA-N 50543383 CHEMBL4634904 Cytochrome P450 4B1 >10000 ChEMBL 10.1021/acsmedchemlett.0c00249 10.7270/Q23J3HJK 32832028 Crawford, JJ; Lee, W; Johnson, AR; Delatorre, KJ; Chen, J; Eigenbrot, C; Heidmann, J; Kakiuchi-Kiyota, S; Katewa, A; Kiefer, JR; Liu, L; Lubach, JW; Misner, D; Purkey, H; Reif, K; Vogt, J; Wong, H; Yu, C; Young, WB Genentech http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50543383 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000438&target=Cytochrome+P450+4B1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50543383&enzyme=Cytochrome+P450+4B1&column=ki&startPg=0&Increment=50&submit=Search V1G 6XE4 90646107 442144946 1 MVPSFLSLSFSSLGLWASGLILVLGFLKLIHLLLRRQTLAKAMDKFPGPPTHWLFGHALEIQETGSLDKVVSWAHQFPYAHPLWFGQFIGFLNIYEPDYAKAVYSRGDPKAPDVYDFFLQWIGRGLLVLEGPKWLQHRKLLTPGFHYDVLKPYVAVFTESTRIMLDKWEEKAREGKSFDIFCDVGHMALNTLMKCTFGRGDTGLGHRDSSYYLAVSDLTLLMQQRLVSFQYHNDFIYWLTPHGRRFLRACQVAHDHTDQVIRERKAALQDEKVRKKIQNRRHLDFLDILLGARDEDDIKLSDADLRAEVDTFMFEGHDTTTSGISWFLYCMALYPEHQHRCREEVREILGDQDFFQWDDLGKMTYLTMCIKESFRLYPPVPQVYRQLSKPVTFVDGRSLPAGSLISMHIYALHRNSAVWPDPEVFDSLRFSTENASKRHPFAFMPFSAGPRNCIGQQFAMSEMKVVTAMCLLRFEFSLDPSRLPIKMPQLVLRSKNGFHLHLKPLGPGSGK Cytochrome P450 4B1 CP4B1_HUMAN P13584 Q1HBI2 Q8TD85 Q8WWF2 Q8WWU9 Q8WWV0 51342392 C[C@H]1CN(CCN1c1ccc(Nc2cc(cn(C)c2=O)-c2ccnc(N3CCn4c5CC(C)(C)Cc5cc4C3=O)c2CO)nc1)C1COC1 InChI=1S/C37H44N8O4/c1-23-18-42(27-21-49-22-27)9-10-43(23)26-5-6-33(39-17-26)40-30-13-25(19-41(4)35(30)47)28-7-8-38-34(29(28)20-46)45-12-11-44-31(36(45)48)14-24-15-37(2,3)16-32(24)44/h5-8,13-14,17,19,23,27,46H,9-12,15-16,18,20-22H2,1-4H3,(H,39,40)/t23-/m0/s1 WNEODWDFDXWOLU-QHCPKHFHSA-N 50244440 CHEMBL4065122 Cytochrome P450 4B1 >10000 ChEMBL 10.1021/acsmedchemlett.0c00249 10.7270/Q23J3HJK 32832028 Crawford, JJ; Lee, W; Johnson, AR; Delatorre, KJ; Chen, J; Eigenbrot, C; Heidmann, J; Kakiuchi-Kiyota, S; Katewa, A; Kiefer, JR; Liu, L; Lubach, JW; Misner, D; Purkey, H; Reif, K; Vogt, J; Wong, H; Yu, C; Young, WB Genentech http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50244440 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000438&target=Cytochrome+P450+4B1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50244440&enzyme=Cytochrome+P450+4B1&column=ki&startPg=0&Increment=50&submit=Search 9AJ 5VFI 86567195 386403147 CHEMBL4065122 1 MVPSFLSLSFSSLGLWASGLILVLGFLKLIHLLLRRQTLAKAMDKFPGPPTHWLFGHALEIQETGSLDKVVSWAHQFPYAHPLWFGQFIGFLNIYEPDYAKAVYSRGDPKAPDVYDFFLQWIGRGLLVLEGPKWLQHRKLLTPGFHYDVLKPYVAVFTESTRIMLDKWEEKAREGKSFDIFCDVGHMALNTLMKCTFGRGDTGLGHRDSSYYLAVSDLTLLMQQRLVSFQYHNDFIYWLTPHGRRFLRACQVAHDHTDQVIRERKAALQDEKVRKKIQNRRHLDFLDILLGARDEDDIKLSDADLRAEVDTFMFEGHDTTTSGISWFLYCMALYPEHQHRCREEVREILGDQDFFQWDDLGKMTYLTMCIKESFRLYPPVPQVYRQLSKPVTFVDGRSLPAGSLISMHIYALHRNSAVWPDPEVFDSLRFSTENASKRHPFAFMPFSAGPRNCIGQQFAMSEMKVVTAMCLLRFEFSLDPSRLPIKMPQLVLRSKNGFHLHLKPLGPGSGK Cytochrome P450 4B1 CP4B1_HUMAN P13584 Q1HBI2 Q8TD85 Q8WWF2 Q8WWU9 Q8WWV0 51337583 CCCSc1nc(=O)cc(O)n1-c1ccccc1OC InChI=1S/C14H16N2O3S/c1-3-8-20-14-15-12(17)9-13(18)16(14)10-6-4-5-7-11(10)19-2/h4-7,9,18H,3,8H2,1-2H3 PRYJXZFRKSDGII-UHFFFAOYSA-N 50541296 CHEMBL4636169 Cytochrome P450 4B1 >20000 ChEMBL 10.1016/j.bmcl.2020.126955 10.7270/Q27W6GRP 32035698 Myers, MC; Bilder, DM; Cavallaro, CL; Chao, HJ; Su, S; Burford, NT; Nayeem, A; Wang, T; Yan, M; Langish, RA; Dabros, M; Li, YX; Rose, AV; Behnia, K; Onorato, JM; Gargalovic, PS; Wexler, RR; Lawrence, RM Bristol-Myers Squibb Research and Development http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50541296 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000438&target=Cytochrome+P450+4B1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50541296&enzyme=Cytochrome+P450+4B1&column=ki&startPg=0&Increment=50&submit=Search 156013739 442142859 1 MVPSFLSLSFSSLGLWASGLILVLGFLKLIHLLLRRQTLAKAMDKFPGPPTHWLFGHALEIQETGSLDKVVSWAHQFPYAHPLWFGQFIGFLNIYEPDYAKAVYSRGDPKAPDVYDFFLQWIGRGLLVLEGPKWLQHRKLLTPGFHYDVLKPYVAVFTESTRIMLDKWEEKAREGKSFDIFCDVGHMALNTLMKCTFGRGDTGLGHRDSSYYLAVSDLTLLMQQRLVSFQYHNDFIYWLTPHGRRFLRACQVAHDHTDQVIRERKAALQDEKVRKKIQNRRHLDFLDILLGARDEDDIKLSDADLRAEVDTFMFEGHDTTTSGISWFLYCMALYPEHQHRCREEVREILGDQDFFQWDDLGKMTYLTMCIKESFRLYPPVPQVYRQLSKPVTFVDGRSLPAGSLISMHIYALHRNSAVWPDPEVFDSLRFSTENASKRHPFAFMPFSAGPRNCIGQQFAMSEMKVVTAMCLLRFEFSLDPSRLPIKMPQLVLRSKNGFHLHLKPLGPGSGK Cytochrome P450 4B1 CP4B1_HUMAN P13584 Q1HBI2 Q8TD85 Q8WWF2 Q8WWU9 Q8WWV0 51337584 CCCCc1nc(=O)cc(O)n1-c1c(C)cccc1OC InChI=1S/C16H20N2O3/c1-4-5-9-13-17-14(19)10-15(20)18(13)16-11(2)7-6-8-12(16)21-3/h6-8,10,20H,4-5,9H2,1-3H3 JHQRYPJEIHSZCU-UHFFFAOYSA-N 50541318 CHEMBL4632688 Cytochrome P450 4B1 >20000 ChEMBL 10.1016/j.bmcl.2020.126955 10.7270/Q27W6GRP 32035698 Myers, MC; Bilder, DM; Cavallaro, CL; Chao, HJ; Su, S; Burford, NT; Nayeem, A; Wang, T; Yan, M; Langish, RA; Dabros, M; Li, YX; Rose, AV; Behnia, K; Onorato, JM; Gargalovic, PS; Wexler, RR; Lawrence, RM Bristol-Myers Squibb Research and Development http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50541318 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000438&target=Cytochrome+P450+4B1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50541318&enzyme=Cytochrome+P450+4B1&column=ki&startPg=0&Increment=50&submit=Search 156010717 442142881 1 MVPSFLSLSFSSLGLWASGLILVLGFLKLIHLLLRRQTLAKAMDKFPGPPTHWLFGHALEIQETGSLDKVVSWAHQFPYAHPLWFGQFIGFLNIYEPDYAKAVYSRGDPKAPDVYDFFLQWIGRGLLVLEGPKWLQHRKLLTPGFHYDVLKPYVAVFTESTRIMLDKWEEKAREGKSFDIFCDVGHMALNTLMKCTFGRGDTGLGHRDSSYYLAVSDLTLLMQQRLVSFQYHNDFIYWLTPHGRRFLRACQVAHDHTDQVIRERKAALQDEKVRKKIQNRRHLDFLDILLGARDEDDIKLSDADLRAEVDTFMFEGHDTTTSGISWFLYCMALYPEHQHRCREEVREILGDQDFFQWDDLGKMTYLTMCIKESFRLYPPVPQVYRQLSKPVTFVDGRSLPAGSLISMHIYALHRNSAVWPDPEVFDSLRFSTENASKRHPFAFMPFSAGPRNCIGQQFAMSEMKVVTAMCLLRFEFSLDPSRLPIKMPQLVLRSKNGFHLHLKPLGPGSGK Cytochrome P450 4B1 CP4B1_HUMAN P13584 Q1HBI2 Q8TD85 Q8WWF2 Q8WWU9 Q8WWV0 51342806 CCCC(C(=O)OCCN(CC)CC)(c1ccccc1)c1ccccc1 InChI=1S/C23H31NO2/c1-4-17-23(20-13-9-7-10-14-20,21-15-11-8-12-16-21)22(25)26-19-18-24(5-2)6-3/h7-16H,4-6,17-19H2,1-3H3 SNTQPLDRUZOSDP-UHFFFAOYSA-N 50017716 2,2-Diphenyl-pentanoic acid 2-diethylamino-ethyl ester::2-(diethylamino)ethyl 2,2-diphenylpentanoate::2-Benzhydryl-pentanoic acid 2-diethylamino-ethyl ester::CHEMBL282567::PROADIFEN HYDROCHLORIDE Cytochrome P450 4B1 19000 ChEMBL 10.1021/acs.jmedchem.9b02038 10.7270/Q2S46WJB 32324396 Chen, Y; Li, Q; Li, Q; Xing, S; Liu, Y; Liu, Y; Chen, Y; Liu, W; Feng, F; Sun, H China Pharmaceutical University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50017716 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000438&target=Cytochrome+P450+4B1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50017716&enzyme=Cytochrome+P450+4B1&column=ki&startPg=0&Increment=50&submit=Search 4910 103928984 CHEMBL282567 ZINC01671505 1 MVPSFLSLSFSSLGLWASGLILVLGFLKLIHLLLRRQTLAKAMDKFPGPPTHWLFGHALEIQETGSLDKVVSWAHQFPYAHPLWFGQFIGFLNIYEPDYAKAVYSRGDPKAPDVYDFFLQWIGRGLLVLEGPKWLQHRKLLTPGFHYDVLKPYVAVFTESTRIMLDKWEEKAREGKSFDIFCDVGHMALNTLMKCTFGRGDTGLGHRDSSYYLAVSDLTLLMQQRLVSFQYHNDFIYWLTPHGRRFLRACQVAHDHTDQVIRERKAALQDEKVRKKIQNRRHLDFLDILLGARDEDDIKLSDADLRAEVDTFMFEGHDTTTSGISWFLYCMALYPEHQHRCREEVREILGDQDFFQWDDLGKMTYLTMCIKESFRLYPPVPQVYRQLSKPVTFVDGRSLPAGSLISMHIYALHRNSAVWPDPEVFDSLRFSTENASKRHPFAFMPFSAGPRNCIGQQFAMSEMKVVTAMCLLRFEFSLDPSRLPIKMPQLVLRSKNGFHLHLKPLGPGSGK Cytochrome P450 4B1 CP4B1_HUMAN P13584 Q1HBI2 Q8TD85 Q8WWF2 Q8WWU9 Q8WWV0 51338908 Cc1nc2c(cc(cc2n1-c1ccnc2c(F)ccc(F)c12)-c1ccnc(c1)C#N)-c1nnc[nH]1 InChI=1S/C25H14F2N8/c1-13-33-23-17(25-31-12-32-34-25)9-15(14-4-6-29-16(8-14)11-28)10-21(23)35(13)20-5-7-30-24-19(27)3-2-18(26)22(20)24/h2-10,12H,1H3,(H,31,32,34) XEFPRVONPORJSI-UHFFFAOYSA-N 368625 US10227350, Compound 113::US10227350, Compound 114::US10227350, Compound 44 Cytochrome P450 4B1 >25000 ChEMBL 10.1021/acsmedchemlett.0c00095 10.7270/Q2K35Z7J 32551006 Perreault, S; Arjmand, F; Chandrasekhar, J; Hao, J; Keegan, KS; Koditek, D; Lepist, EI; Matson, CK; McGrath, ME; Patel, L; Sedillo, K; Therrien, J; Till, NA; Tomkinson, A; Treiberg, J; Zherebina, Y; Phillips, G Gilead Sciences, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=368625 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000438&target=Cytochrome+P450+4B1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=368625&enzyme=Cytochrome+P450+4B1&column=ki&startPg=0&Increment=50&submit=Search 134381193 402365463 1 MVPSFLSLSFSSLGLWASGLILVLGFLKLIHLLLRRQTLAKAMDKFPGPPTHWLFGHALEIQETGSLDKVVSWAHQFPYAHPLWFGQFIGFLNIYEPDYAKAVYSRGDPKAPDVYDFFLQWIGRGLLVLEGPKWLQHRKLLTPGFHYDVLKPYVAVFTESTRIMLDKWEEKAREGKSFDIFCDVGHMALNTLMKCTFGRGDTGLGHRDSSYYLAVSDLTLLMQQRLVSFQYHNDFIYWLTPHGRRFLRACQVAHDHTDQVIRERKAALQDEKVRKKIQNRRHLDFLDILLGARDEDDIKLSDADLRAEVDTFMFEGHDTTTSGISWFLYCMALYPEHQHRCREEVREILGDQDFFQWDDLGKMTYLTMCIKESFRLYPPVPQVYRQLSKPVTFVDGRSLPAGSLISMHIYALHRNSAVWPDPEVFDSLRFSTENASKRHPFAFMPFSAGPRNCIGQQFAMSEMKVVTAMCLLRFEFSLDPSRLPIKMPQLVLRSKNGFHLHLKPLGPGSGK Cytochrome P450 4B1 CP4B1_HUMAN P13584 Q1HBI2 Q8TD85 Q8WWF2 Q8WWU9 Q8WWV0 51338910 Cc1nc2c(cc(cc2n1-c1ccnc2c(F)ccc(F)c12)-c1ccnc(N)c1F)-c1nnc[nH]1 InChI=1S/C24H15F3N8/c1-11-33-21-14(24-31-10-32-34-24)8-12(13-4-6-30-23(28)20(13)27)9-18(21)35(11)17-5-7-29-22-16(26)3-2-15(25)19(17)22/h2-10H,1H3,(H2,28,30)(H,31,32,34) SBVBUGSOYHJGGD-UHFFFAOYSA-N 368657 US10227350, Compound 105::US10227350, Compound 106::US10227350, Compound 75 Cytochrome P450 4B1 >25000 ChEMBL 10.1021/acsmedchemlett.0c00095 10.7270/Q2K35Z7J 32551006 Perreault, S; Arjmand, F; Chandrasekhar, J; Hao, J; Keegan, KS; Koditek, D; Lepist, EI; Matson, CK; McGrath, ME; Patel, L; Sedillo, K; Therrien, J; Till, NA; Tomkinson, A; Treiberg, J; Zherebina, Y; Phillips, G Gilead Sciences, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=368657 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000438&target=Cytochrome+P450+4B1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=368657&enzyme=Cytochrome+P450+4B1&column=ki&startPg=0&Increment=50&submit=Search GFJ 6DGT 134372959 402365495 1 MVPSFLSLSFSSLGLWASGLILVLGFLKLIHLLLRRQTLAKAMDKFPGPPTHWLFGHALEIQETGSLDKVVSWAHQFPYAHPLWFGQFIGFLNIYEPDYAKAVYSRGDPKAPDVYDFFLQWIGRGLLVLEGPKWLQHRKLLTPGFHYDVLKPYVAVFTESTRIMLDKWEEKAREGKSFDIFCDVGHMALNTLMKCTFGRGDTGLGHRDSSYYLAVSDLTLLMQQRLVSFQYHNDFIYWLTPHGRRFLRACQVAHDHTDQVIRERKAALQDEKVRKKIQNRRHLDFLDILLGARDEDDIKLSDADLRAEVDTFMFEGHDTTTSGISWFLYCMALYPEHQHRCREEVREILGDQDFFQWDDLGKMTYLTMCIKESFRLYPPVPQVYRQLSKPVTFVDGRSLPAGSLISMHIYALHRNSAVWPDPEVFDSLRFSTENASKRHPFAFMPFSAGPRNCIGQQFAMSEMKVVTAMCLLRFEFSLDPSRLPIKMPQLVLRSKNGFHLHLKPLGPGSGK Cytochrome P450 4B1 CP4B1_HUMAN P13584 Q1HBI2 Q8TD85 Q8WWF2 Q8WWU9 Q8WWV0 51391830 COC(=O)Nc1cc(c(cn1)-c1nc(N2CCOCC2)c2cc(CN3CCN(CC3)S(C)(=O)=O)cn2n1)C(F)(F)F InChI=1S/C24H29F3N8O5S/c1-39-23(36)29-20-12-18(24(25,26)27)17(13-28-20)21-30-22(33-7-9-40-10-8-33)19-11-16(15-35(19)31-21)14-32-3-5-34(6-4-32)41(2,37)38/h11-13,15H,3-10,14H2,1-2H3,(H,28,29,36) KTLQDDGRBDLKMN-UHFFFAOYSA-N 330295 Methyl (5-(6-((4-(methylsulfonyl)piperazin-1-yl)methyl)-4-morpholinopyrrolo[2,1-f][1,2,4]triazin-2-yl)-4-(trifluoromethyl)pyridin-2-yl)carbamate ::US9724352, I-33 Cytochrome P450 4B1 >30000 ChEMBL 10.1016/j.ejmech.2020.112913 10.7270/Q2TF0228 33109399 Xiang, HY; Wang, X; Chen, YH; Zhang, X; Tan, C; Wang, Y; Su, Y; Gao, ZW; Chen, XY; Xiong, B; Gao, ZB; Chen, Y; Ding, J; Meng, LH; Yang, CH Chinese Academy of Sciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=330295 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000438&target=Cytochrome+P450+4B1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=330295&enzyme=Cytochrome+P450+4B1&column=ki&startPg=0&Increment=50&submit=Search 72550012 384575153 1 MVPSFLSLSFSSLGLWASGLILVLGFLKLIHLLLRRQTLAKAMDKFPGPPTHWLFGHALEIQETGSLDKVVSWAHQFPYAHPLWFGQFIGFLNIYEPDYAKAVYSRGDPKAPDVYDFFLQWIGRGLLVLEGPKWLQHRKLLTPGFHYDVLKPYVAVFTESTRIMLDKWEEKAREGKSFDIFCDVGHMALNTLMKCTFGRGDTGLGHRDSSYYLAVSDLTLLMQQRLVSFQYHNDFIYWLTPHGRRFLRACQVAHDHTDQVIRERKAALQDEKVRKKIQNRRHLDFLDILLGARDEDDIKLSDADLRAEVDTFMFEGHDTTTSGISWFLYCMALYPEHQHRCREEVREILGDQDFFQWDDLGKMTYLTMCIKESFRLYPPVPQVYRQLSKPVTFVDGRSLPAGSLISMHIYALHRNSAVWPDPEVFDSLRFSTENASKRHPFAFMPFSAGPRNCIGQQFAMSEMKVVTAMCLLRFEFSLDPSRLPIKMPQLVLRSKNGFHLHLKPLGPGSGK Cytochrome P450 4B1 CP4B1_HUMAN P13584 Q1HBI2 Q8TD85 Q8WWF2 Q8WWU9 Q8WWV0 51360390 C[C@@H](NC(=O)c1ccc(Cl)cc1)[C@H]1CC[C@H](CC1)c1ccnc2ccc(F)cc12 InChI=1S/C24H24ClFN2O/c1-15(28-24(29)18-6-8-19(25)9-7-18)16-2-4-17(5-3-16)21-12-13-27-23-11-10-20(26)14-22(21)23/h6-17H,2-5H2,1H3,(H,28,29)/t15-,16-,17+/m1/s1 AOJCHFNHRLPISK-ZACQAIPSSA-N 50550026 CHEMBL4786690 Cytochrome P450 4B1 >15000 ChEMBL 10.1021/acsmedchemlett.0c00668 10.7270/Q2TM7FR5 33603977 Cherney, EC; Zhang, L; Nara, S; Zhu, X; Gullo-Brown, J; Maley, D; Lin, TA; Hunt, JT; Huang, C; Yang, Z; Darienzo, C; Discenza, L; Ranasinghe, A; Grubb, M; Ziemba, T; Traeger, SC; Li, X; Johnston, K; Kopcho, L; Fereshteh, M; Foster, K; Stefanski, K; Fargnoli, J; Swanson, J; Brown, J; Delpy, D; Seitz, SP; Borzilleri, R; Vite, G; Balog, A Bristol Myers Squibb Research and Development http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50550026 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000438&target=Cytochrome+P450+4B1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50550026&enzyme=Cytochrome+P450+4B1&column=ki&startPg=0&Increment=50&submit=Search 121318866 461680366 1 MVPSFLSLSFSSLGLWASGLILVLGFLKLIHLLLRRQTLAKAMDKFPGPPTHWLFGHALEIQETGSLDKVVSWAHQFPYAHPLWFGQFIGFLNIYEPDYAKAVYSRGDPKAPDVYDFFLQWIGRGLLVLEGPKWLQHRKLLTPGFHYDVLKPYVAVFTESTRIMLDKWEEKAREGKSFDIFCDVGHMALNTLMKCTFGRGDTGLGHRDSSYYLAVSDLTLLMQQRLVSFQYHNDFIYWLTPHGRRFLRACQVAHDHTDQVIRERKAALQDEKVRKKIQNRRHLDFLDILLGARDEDDIKLSDADLRAEVDTFMFEGHDTTTSGISWFLYCMALYPEHQHRCREEVREILGDQDFFQWDDLGKMTYLTMCIKESFRLYPPVPQVYRQLSKPVTFVDGRSLPAGSLISMHIYALHRNSAVWPDPEVFDSLRFSTENASKRHPFAFMPFSAGPRNCIGQQFAMSEMKVVTAMCLLRFEFSLDPSRLPIKMPQLVLRSKNGFHLHLKPLGPGSGK Cytochrome P450 4B1 CP4B1_HUMAN P13584 Q1HBI2 Q8TD85 Q8WWF2 Q8WWU9 Q8WWV0 51449318 C[C@H](C(O)=O)n1nc(Cn2cc3cc(OCC4CC4)c(Cl)cc3n2)c2ccccc2c1=O InChI=1S/C23H21ClN4O4/c1-13(23(30)31)28-22(29)17-5-3-2-4-16(17)20(26-28)11-27-10-15-8-21(32-12-14-6-7-14)18(24)9-19(15)25-27/h2-5,8-10,13-14H,6-7,11-12H2,1H3,(H,30,31)/t13-/m1/s1 PMFUQAVMFHEJFO-CYBMUJFWSA-N 50585281 CHEMBL5079623 Cytochrome P450 4B1 >100000 ChEMBL 10.1021/acs.jmedchem.1c01066 10.7270/Q2VM4H5J 34581584 Mammoliti, O; Jansen, K; El Bkassiny, S; Palisse, A; Triballeau, N; Bucher, D; Allart, B; Jaunet, A; Tricarico, G; De Wachter, M; Menet, C; Blanc, J; Letfus, V; Rupčić, R; Šmehil, M; Poljak, T; Coornaert, B; Sonck, K; Duys, I; Waeckel, L; Lecru, L; Marsais, F; Jagerschmidt, C; Auberval, M; Pujuguet, P; Oste, L; Borgonovi, M; Wakselman, E; Christophe, T; Houvenaghel, N; Jans, M; Heckmann, B; Sanière, L; Brys, R Galapagos NV http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50585281 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000438&target=Cytochrome+P450+4B1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50585281&enzyme=Cytochrome+P450+4B1&column=ki&startPg=0&Increment=50&submit=Search 148932604 476021368 1 MVPSFLSLSFSSLGLWASGLILVLGFLKLIHLLLRRQTLAKAMDKFPGPPTHWLFGHALEIQETGSLDKVVSWAHQFPYAHPLWFGQFIGFLNIYEPDYAKAVYSRGDPKAPDVYDFFLQWIGRGLLVLEGPKWLQHRKLLTPGFHYDVLKPYVAVFTESTRIMLDKWEEKAREGKSFDIFCDVGHMALNTLMKCTFGRGDTGLGHRDSSYYLAVSDLTLLMQQRLVSFQYHNDFIYWLTPHGRRFLRACQVAHDHTDQVIRERKAALQDEKVRKKIQNRRHLDFLDILLGARDEDDIKLSDADLRAEVDTFMFEGHDTTTSGISWFLYCMALYPEHQHRCREEVREILGDQDFFQWDDLGKMTYLTMCIKESFRLYPPVPQVYRQLSKPVTFVDGRSLPAGSLISMHIYALHRNSAVWPDPEVFDSLRFSTENASKRHPFAFMPFSAGPRNCIGQQFAMSEMKVVTAMCLLRFEFSLDPSRLPIKMPQLVLRSKNGFHLHLKPLGPGSGK Cytochrome P450 4B1 CP4B1_HUMAN P13584 Q1HBI2 Q8TD85 Q8WWF2 Q8WWU9 Q8WWV0 51466997 FC(F)(F)c1ccc(cc1)-c1cc(=O)c2ccccc2o1 InChI=1S/C16H9F3O2/c17-16(18,19)11-7-5-10(6-8-11)15-9-13(20)12-3-1-2-4-14(12)21-15/h1-9H XISMXQJXDBDZSJ-UHFFFAOYSA-N 50591915 CHEMBL2130955 Cytochrome P450 4B1 4900 ChEMBL 10.7270/Q20P1410 35576701 Kampschulte, N; Berking, T; Çelik, IE; Kirsch, SF; Schebb, NH University of Wuppertal http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50591915 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000438&target=Cytochrome+P450+4B1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50591915&enzyme=Cytochrome+P450+4B1&column=ki&startPg=0&Increment=50&submit=Search 14735885 482602767 1 MVPSFLSLSFSSLGLWASGLILVLGFLKLIHLLLRRQTLAKAMDKFPGPPTHWLFGHALEIQETGSLDKVVSWAHQFPYAHPLWFGQFIGFLNIYEPDYAKAVYSRGDPKAPDVYDFFLQWIGRGLLVLEGPKWLQHRKLLTPGFHYDVLKPYVAVFTESTRIMLDKWEEKAREGKSFDIFCDVGHMALNTLMKCTFGRGDTGLGHRDSSYYLAVSDLTLLMQQRLVSFQYHNDFIYWLTPHGRRFLRACQVAHDHTDQVIRERKAALQDEKVRKKIQNRRHLDFLDILLGARDEDDIKLSDADLRAEVDTFMFEGHDTTTSGISWFLYCMALYPEHQHRCREEVREILGDQDFFQWDDLGKMTYLTMCIKESFRLYPPVPQVYRQLSKPVTFVDGRSLPAGSLISMHIYALHRNSAVWPDPEVFDSLRFSTENASKRHPFAFMPFSAGPRNCIGQQFAMSEMKVVTAMCLLRFEFSLDPSRLPIKMPQLVLRSKNGFHLHLKPLGPGSGK Cytochrome P450 4B1 CP4B1_HUMAN P13584 Q1HBI2 Q8TD85 Q8WWF2 Q8WWU9 Q8WWV0 51466998 FC(F)(F)c1ccc(cc1)-c1cc(=O)c2ccccc2o1 InChI=1S/C16H9F3O2/c17-16(18,19)11-7-5-10(6-8-11)15-9-13(20)12-3-1-2-4-14(12)21-15/h1-9H XISMXQJXDBDZSJ-UHFFFAOYSA-N 50591915 CHEMBL2130955 Cytochrome P450 4B1 2800 ChEMBL 10.7270/Q20P1410 35576701 Kampschulte, N; Berking, T; Çelik, IE; Kirsch, SF; Schebb, NH University of Wuppertal http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50591915 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000438&target=Cytochrome+P450+4B1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50591915&enzyme=Cytochrome+P450+4B1&column=ki&startPg=0&Increment=50&submit=Search 14735885 482602767 1 MVPSFLSLSFSSLGLWASGLILVLGFLKLIHLLLRRQTLAKAMDKFPGPPTHWLFGHALEIQETGSLDKVVSWAHQFPYAHPLWFGQFIGFLNIYEPDYAKAVYSRGDPKAPDVYDFFLQWIGRGLLVLEGPKWLQHRKLLTPGFHYDVLKPYVAVFTESTRIMLDKWEEKAREGKSFDIFCDVGHMALNTLMKCTFGRGDTGLGHRDSSYYLAVSDLTLLMQQRLVSFQYHNDFIYWLTPHGRRFLRACQVAHDHTDQVIRERKAALQDEKVRKKIQNRRHLDFLDILLGARDEDDIKLSDADLRAEVDTFMFEGHDTTTSGISWFLYCMALYPEHQHRCREEVREILGDQDFFQWDDLGKMTYLTMCIKESFRLYPPVPQVYRQLSKPVTFVDGRSLPAGSLISMHIYALHRNSAVWPDPEVFDSLRFSTENASKRHPFAFMPFSAGPRNCIGQQFAMSEMKVVTAMCLLRFEFSLDPSRLPIKMPQLVLRSKNGFHLHLKPLGPGSGK Cytochrome P450 4B1 CP4B1_HUMAN P13584 Q1HBI2 Q8TD85 Q8WWF2 Q8WWU9 Q8WWV0 51467003 FC(F)(F)c1ccc(cc1)-c1cc(=O)c2ccccc2o1 InChI=1S/C16H9F3O2/c17-16(18,19)11-7-5-10(6-8-11)15-9-13(20)12-3-1-2-4-14(12)21-15/h1-9H XISMXQJXDBDZSJ-UHFFFAOYSA-N 50591915 CHEMBL2130955 Cytochrome P450 4B1 1900 ChEMBL 10.7270/Q20P1410 35576701 Kampschulte, N; Berking, T; Çelik, IE; Kirsch, SF; Schebb, NH University of Wuppertal http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50591915 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000438&target=Cytochrome+P450+4B1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50591915&enzyme=Cytochrome+P450+4B1&column=ki&startPg=0&Increment=50&submit=Search 14735885 482602767 1 MVPSFLSLSFSSLGLWASGLILVLGFLKLIHLLLRRQTLAKAMDKFPGPPTHWLFGHALEIQETGSLDKVVSWAHQFPYAHPLWFGQFIGFLNIYEPDYAKAVYSRGDPKAPDVYDFFLQWIGRGLLVLEGPKWLQHRKLLTPGFHYDVLKPYVAVFTESTRIMLDKWEEKAREGKSFDIFCDVGHMALNTLMKCTFGRGDTGLGHRDSSYYLAVSDLTLLMQQRLVSFQYHNDFIYWLTPHGRRFLRACQVAHDHTDQVIRERKAALQDEKVRKKIQNRRHLDFLDILLGARDEDDIKLSDADLRAEVDTFMFEGHDTTTSGISWFLYCMALYPEHQHRCREEVREILGDQDFFQWDDLGKMTYLTMCIKESFRLYPPVPQVYRQLSKPVTFVDGRSLPAGSLISMHIYALHRNSAVWPDPEVFDSLRFSTENASKRHPFAFMPFSAGPRNCIGQQFAMSEMKVVTAMCLLRFEFSLDPSRLPIKMPQLVLRSKNGFHLHLKPLGPGSGK Cytochrome P450 4B1 CP4B1_HUMAN P13584 Q1HBI2 Q8TD85 Q8WWF2 Q8WWU9 Q8WWV0 51467004 FC(F)(F)c1ccc(cc1)-c1cc(=O)c2ccccc2o1 InChI=1S/C16H9F3O2/c17-16(18,19)11-7-5-10(6-8-11)15-9-13(20)12-3-1-2-4-14(12)21-15/h1-9H XISMXQJXDBDZSJ-UHFFFAOYSA-N 50591915 CHEMBL2130955 Cytochrome P450 4B1 1100 ChEMBL 10.7270/Q20P1410 35576701 Kampschulte, N; Berking, T; Çelik, IE; Kirsch, SF; Schebb, NH University of Wuppertal http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50591915 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000438&target=Cytochrome+P450+4B1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50591915&enzyme=Cytochrome+P450+4B1&column=ki&startPg=0&Increment=50&submit=Search 14735885 482602767 1 MVPSFLSLSFSSLGLWASGLILVLGFLKLIHLLLRRQTLAKAMDKFPGPPTHWLFGHALEIQETGSLDKVVSWAHQFPYAHPLWFGQFIGFLNIYEPDYAKAVYSRGDPKAPDVYDFFLQWIGRGLLVLEGPKWLQHRKLLTPGFHYDVLKPYVAVFTESTRIMLDKWEEKAREGKSFDIFCDVGHMALNTLMKCTFGRGDTGLGHRDSSYYLAVSDLTLLMQQRLVSFQYHNDFIYWLTPHGRRFLRACQVAHDHTDQVIRERKAALQDEKVRKKIQNRRHLDFLDILLGARDEDDIKLSDADLRAEVDTFMFEGHDTTTSGISWFLYCMALYPEHQHRCREEVREILGDQDFFQWDDLGKMTYLTMCIKESFRLYPPVPQVYRQLSKPVTFVDGRSLPAGSLISMHIYALHRNSAVWPDPEVFDSLRFSTENASKRHPFAFMPFSAGPRNCIGQQFAMSEMKVVTAMCLLRFEFSLDPSRLPIKMPQLVLRSKNGFHLHLKPLGPGSGK Cytochrome P450 4B1 CP4B1_HUMAN P13584 Q1HBI2 Q8TD85 Q8WWF2 Q8WWU9 Q8WWV0 51459863 Cc1cc(Nc2ccc(cc2)S(F)(F)(F)(F)F)n2nc(nc2n1)C(C)(F)F InChI=1S/C14H12F7N5S/c1-8-7-11(26-13(22-8)24-12(25-26)14(2,15)16)23-9-3-5-10(6-4-9)27(17,18,19,20)21/h3-7,23H,1-2H3 OIZSVTOIBNSVOS-UHFFFAOYSA-N 50365230 CHEMBL1956285::US9238653, Table 5, Compound 10 Cytochrome P450 4B1 >24000 ChEMBL 10.7270/Q2S75M9J 33131885 Madhav, H; Hoda, N Jamia Millia Islamia (A Central University) http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50365230 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000438&target=Cytochrome+P450+4B1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50365230&enzyme=Cytochrome+P450+4B1&column=ki&startPg=0&Increment=50&submit=Search D65 4RX0,5BOO 51347395 136969292 CHEMBL1956285 1 MVPSFLSLSFSSLGLWASGLILVLGFLKLIHLLLRRQTLAKAMDKFPGPPTHWLFGHALEIQETGSLDKVVSWAHQFPYAHPLWFGQFIGFLNIYEPDYAKAVYSRGDPKAPDVYDFFLQWIGRGLLVLEGPKWLQHRKLLTPGFHYDVLKPYVAVFTESTRIMLDKWEEKAREGKSFDIFCDVGHMALNTLMKCTFGRGDTGLGHRDSSYYLAVSDLTLLMQQRLVSFQYHNDFIYWLTPHGRRFLRACQVAHDHTDQVIRERKAALQDEKVRKKIQNRRHLDFLDILLGARDEDDIKLSDADLRAEVDTFMFEGHDTTTSGISWFLYCMALYPEHQHRCREEVREILGDQDFFQWDDLGKMTYLTMCIKESFRLYPPVPQVYRQLSKPVTFVDGRSLPAGSLISMHIYALHRNSAVWPDPEVFDSLRFSTENASKRHPFAFMPFSAGPRNCIGQQFAMSEMKVVTAMCLLRFEFSLDPSRLPIKMPQLVLRSKNGFHLHLKPLGPGSGK Cytochrome P450 4B1 CP4B1_HUMAN P13584 Q1HBI2 Q8TD85 Q8WWF2 Q8WWU9 Q8WWV0 51459864 CC1(C)N(CCn2c(Nc3ccc(F)cc3)c(nc12)-c1ccc(F)cc1)C(=O)CN InChI=1S/C22H23F2N5O/c1-22(2)21-27-19(14-3-5-15(23)6-4-14)20(26-17-9-7-16(24)8-10-17)28(21)11-12-29(22)18(30)13-25/h3-10,26H,11-13,25H2,1-2H3 BUPRVECGWBHCQV-UHFFFAOYSA-N 50388532 CHEMBL2058833 Cytochrome P450 4B1 >6000 ChEMBL 10.7270/Q2S75M9J 33131885 Madhav, H; Hoda, N Jamia Millia Islamia (A Central University) http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50388532 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000438&target=Cytochrome+P450+4B1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50388532&enzyme=Cytochrome+P450+4B1&column=ki&startPg=0&Increment=50&submit=Search 49856296 160867615 CHEMBL2058833 ZINC84687267 1 MVPSFLSLSFSSLGLWASGLILVLGFLKLIHLLLRRQTLAKAMDKFPGPPTHWLFGHALEIQETGSLDKVVSWAHQFPYAHPLWFGQFIGFLNIYEPDYAKAVYSRGDPKAPDVYDFFLQWIGRGLLVLEGPKWLQHRKLLTPGFHYDVLKPYVAVFTESTRIMLDKWEEKAREGKSFDIFCDVGHMALNTLMKCTFGRGDTGLGHRDSSYYLAVSDLTLLMQQRLVSFQYHNDFIYWLTPHGRRFLRACQVAHDHTDQVIRERKAALQDEKVRKKIQNRRHLDFLDILLGARDEDDIKLSDADLRAEVDTFMFEGHDTTTSGISWFLYCMALYPEHQHRCREEVREILGDQDFFQWDDLGKMTYLTMCIKESFRLYPPVPQVYRQLSKPVTFVDGRSLPAGSLISMHIYALHRNSAVWPDPEVFDSLRFSTENASKRHPFAFMPFSAGPRNCIGQQFAMSEMKVVTAMCLLRFEFSLDPSRLPIKMPQLVLRSKNGFHLHLKPLGPGSGK Cytochrome P450 4B1 CP4B1_HUMAN P13584 Q1HBI2 Q8TD85 Q8WWF2 Q8WWU9 Q8WWV0 51459865 FC1CCN(CCOc2ccc(cc2)C2CCC3(CC2)OOC2(OO3)C3CC4CC(C3)CC2C4)CC1 InChI=1S/C29H40FNO5/c30-26-7-11-31(12-8-26)13-14-32-27-3-1-22(2-4-27)23-5-9-28(10-6-23)33-35-29(36-34-28)24-16-20-15-21(18-24)19-25(29)17-20/h1-4,20-21,23-26H,5-19H2 RDWGXWFRQYUDIZ-UHFFFAOYSA-N 50589165 CHEMBL4288940 Cytochrome P450 4B1 >20000 ChEMBL 10.7270/Q2S75M9J 33131885 Madhav, H; Hoda, N Jamia Millia Islamia (A Central University) http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50589165 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000438&target=Cytochrome+P450+4B1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50589165&enzyme=Cytochrome+P450+4B1&column=ki&startPg=0&Increment=50&submit=Search 132542931 482600017 1 MVPSFLSLSFSSLGLWASGLILVLGFLKLIHLLLRRQTLAKAMDKFPGPPTHWLFGHALEIQETGSLDKVVSWAHQFPYAHPLWFGQFIGFLNIYEPDYAKAVYSRGDPKAPDVYDFFLQWIGRGLLVLEGPKWLQHRKLLTPGFHYDVLKPYVAVFTESTRIMLDKWEEKAREGKSFDIFCDVGHMALNTLMKCTFGRGDTGLGHRDSSYYLAVSDLTLLMQQRLVSFQYHNDFIYWLTPHGRRFLRACQVAHDHTDQVIRERKAALQDEKVRKKIQNRRHLDFLDILLGARDEDDIKLSDADLRAEVDTFMFEGHDTTTSGISWFLYCMALYPEHQHRCREEVREILGDQDFFQWDDLGKMTYLTMCIKESFRLYPPVPQVYRQLSKPVTFVDGRSLPAGSLISMHIYALHRNSAVWPDPEVFDSLRFSTENASKRHPFAFMPFSAGPRNCIGQQFAMSEMKVVTAMCLLRFEFSLDPSRLPIKMPQLVLRSKNGFHLHLKPLGPGSGK Cytochrome P450 4B1 CP4B1_HUMAN P13584 Q1HBI2 Q8TD85 Q8WWF2 Q8WWU9 Q8WWV0 51507927 C[C@@H]1Cc2cc(cnc2N1)C(N)=O InChI=1S/C9H11N3O/c1-5-2-6-3-7(8(10)13)4-11-9(6)12-5/h3-5H,2H2,1H3,(H2,10,13)(H,11,12)/t5-/m1/s1 HLBSXLCCTVSVBK-RXMQYKEDSA-N 50607543 CHEMBL5220590 Cytochrome P450 4B1 >100000 ChEMBL 10.7270/Q2H41WHH 36288465 Barrows, RD; Jeffries, DE; Vishe, M; Tukachinsky, H; Zheng, SL; Li, F; Ma, Z; Li, X; Jin, S; Song, H; Zhang, R; Zhang, S; Ni, J; Luan, H; Wen, L; Rongshan, Y; Ying, C; Shair, MD Harvard University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50607543 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000438&target=Cytochrome+P450+4B1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50607543&enzyme=Cytochrome+P450+4B1&column=ki&startPg=0&Increment=50&submit=Search 168299871 482618394 1 MVPSFLSLSFSSLGLWASGLILVLGFLKLIHLLLRRQTLAKAMDKFPGPPTHWLFGHALEIQETGSLDKVVSWAHQFPYAHPLWFGQFIGFLNIYEPDYAKAVYSRGDPKAPDVYDFFLQWIGRGLLVLEGPKWLQHRKLLTPGFHYDVLKPYVAVFTESTRIMLDKWEEKAREGKSFDIFCDVGHMALNTLMKCTFGRGDTGLGHRDSSYYLAVSDLTLLMQQRLVSFQYHNDFIYWLTPHGRRFLRACQVAHDHTDQVIRERKAALQDEKVRKKIQNRRHLDFLDILLGARDEDDIKLSDADLRAEVDTFMFEGHDTTTSGISWFLYCMALYPEHQHRCREEVREILGDQDFFQWDDLGKMTYLTMCIKESFRLYPPVPQVYRQLSKPVTFVDGRSLPAGSLISMHIYALHRNSAVWPDPEVFDSLRFSTENASKRHPFAFMPFSAGPRNCIGQQFAMSEMKVVTAMCLLRFEFSLDPSRLPIKMPQLVLRSKNGFHLHLKPLGPGSGK Cytochrome P450 4B1 CP4B1_HUMAN P13584 Q1HBI2 Q8TD85 Q8WWF2 Q8WWU9 Q8WWV0 51524552 O=C(Nc1cc(ccn1)C(=O)Nc1cnccc1-c1ccccc1)C1CC1 InChI=1S/C21H18N4O2/c26-20(15-6-7-15)25-19-12-16(8-11-23-19)21(27)24-18-13-22-10-9-17(18)14-4-2-1-3-5-14/h1-5,8-13,15H,6-7H2,(H,24,27)(H,23,25,26) LJUDIYPNWBIDNH-UHFFFAOYSA-N 50613392 CHEMBL5270581 Cytochrome P450 4B1 >20000 ChEMBL 10.7270/Q2TB1C5P 26751161 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50613392 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000438&target=Cytochrome+P450+4B1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50613392&enzyme=Cytochrome+P450+4B1&column=ki&startPg=0&Increment=50&submit=Search 117072456 494503140 1 MVPSFLSLSFSSLGLWASGLILVLGFLKLIHLLLRRQTLAKAMDKFPGPPTHWLFGHALEIQETGSLDKVVSWAHQFPYAHPLWFGQFIGFLNIYEPDYAKAVYSRGDPKAPDVYDFFLQWIGRGLLVLEGPKWLQHRKLLTPGFHYDVLKPYVAVFTESTRIMLDKWEEKAREGKSFDIFCDVGHMALNTLMKCTFGRGDTGLGHRDSSYYLAVSDLTLLMQQRLVSFQYHNDFIYWLTPHGRRFLRACQVAHDHTDQVIRERKAALQDEKVRKKIQNRRHLDFLDILLGARDEDDIKLSDADLRAEVDTFMFEGHDTTTSGISWFLYCMALYPEHQHRCREEVREILGDQDFFQWDDLGKMTYLTMCIKESFRLYPPVPQVYRQLSKPVTFVDGRSLPAGSLISMHIYALHRNSAVWPDPEVFDSLRFSTENASKRHPFAFMPFSAGPRNCIGQQFAMSEMKVVTAMCLLRFEFSLDPSRLPIKMPQLVLRSKNGFHLHLKPLGPGSGK Cytochrome P450 4B1 CP4B1_HUMAN P13584 Q1HBI2 Q8TD85 Q8WWF2 Q8WWU9 Q8WWV0 51031267 Cc1ccc2n1cc([nH]c2=O)-c1ccc(cc1)C(C)(C)O InChI=1S/C17H18N2O2/c1-11-4-9-15-16(20)18-14(10-19(11)15)12-5-7-13(8-6-12)17(2,3)21/h4-10,21H,1-3H3,(H,18,20) MPXAEYSGFKRDQM-UHFFFAOYSA-N 50593627 CHEMBL5199558 Cytochrome P450 4B1 >50000 ChEMBL 10.7270/Q2057M47 34255518 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50593627 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000438&target=Cytochrome+P450+4B1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50593627&enzyme=Cytochrome+P450+4B1&column=ki&startPg=0&Increment=50&submit=Search 71765184 482604479 1 MVPSFLSLSFSSLGLWASGLILVLGFLKLIHLLLRRQTLAKAMDKFPGPPTHWLFGHALEIQETGSLDKVVSWAHQFPYAHPLWFGQFIGFLNIYEPDYAKAVYSRGDPKAPDVYDFFLQWIGRGLLVLEGPKWLQHRKLLTPGFHYDVLKPYVAVFTESTRIMLDKWEEKAREGKSFDIFCDVGHMALNTLMKCTFGRGDTGLGHRDSSYYLAVSDLTLLMQQRLVSFQYHNDFIYWLTPHGRRFLRACQVAHDHTDQVIRERKAALQDEKVRKKIQNRRHLDFLDILLGARDEDDIKLSDADLRAEVDTFMFEGHDTTTSGISWFLYCMALYPEHQHRCREEVREILGDQDFFQWDDLGKMTYLTMCIKESFRLYPPVPQVYRQLSKPVTFVDGRSLPAGSLISMHIYALHRNSAVWPDPEVFDSLRFSTENASKRHPFAFMPFSAGPRNCIGQQFAMSEMKVVTAMCLLRFEFSLDPSRLPIKMPQLVLRSKNGFHLHLKPLGPGSGK Cytochrome P450 4B1 CP4B1_HUMAN P13584 Q1HBI2 Q8TD85 Q8WWF2 Q8WWU9 Q8WWV0 51544637 COc1cc(cc2CCN(CC(F)(F)F)C(=O)c12)-c1cnc2cc(OCCN3CCOCC3)ccn12 InChI=1S/C25H27F3N4O4/c1-34-21-13-18(12-17-2-4-31(16-25(26,27)28)24(33)23(17)21)20-15-29-22-14-19(3-5-32(20)22)36-11-8-30-6-9-35-10-7-30/h3,5,12-15H,2,4,6-11,16H2,1H3 XASOHFCUIQARJT-UHFFFAOYSA-N 50618894 CHEMBL5393771 Cytochrome P450 4B1 Homo sapiens >33000 ChEMBL 10.1021/acs.jmedchem.3c02246 10.7270/Q24X5D58 38552030 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50618894 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000438&target=Cytochrome+P450+4B1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50618894&enzyme=Cytochrome+P450+4B1&column=ki&startPg=0&Increment=50&submit=Search 1 MVPSFLSLSFSSLGLWASGLILVLGFLKLIHLLLRRQTLAKAMDKFPGPPTHWLFGHALEIQETGSLDKVVSWAHQFPYAHPLWFGQFIGFLNIYEPDYAKAVYSRGDPKAPDVYDFFLQWIGRGLLVLEGPKWLQHRKLLTPGFHYDVLKPYVAVFTESTRIMLDKWEEKAREGKSFDIFCDVGHMALNTLMKCTFGRGDTGLGHRDSSYYLAVSDLTLLMQQRLVSFQYHNDFIYWLTPHGRRFLRACQVAHDHTDQVIRERKAALQDEKVRKKIQNRRHLDFLDILLGARDEDDIKLSDADLRAEVDTFMFEGHDTTTSGISWFLYCMALYPEHQHRCREEVREILGDQDFFQWDDLGKMTYLTMCIKESFRLYPPVPQVYRQLSKPVTFVDGRSLPAGSLISMHIYALHRNSAVWPDPEVFDSLRFSTENASKRHPFAFMPFSAGPRNCIGQQFAMSEMKVVTAMCLLRFEFSLDPSRLPIKMPQLVLRSKNGFHLHLKPLGPGSGK Cytochrome P450 4B1 CP4B1_HUMAN P13584 Q1HBI2 Q8TD85 Q8WWF2 Q8WWU9 Q8WWV0 51544638 COc1cc(cc2CCN(CC(F)(F)F)C(=O)c12)-c1cnc2cc(OCCN3CCOCC3)ccn12 InChI=1S/C25H27F3N4O4/c1-34-21-13-18(12-17-2-4-31(16-25(26,27)28)24(33)23(17)21)20-15-29-22-14-19(3-5-32(20)22)36-11-8-30-6-9-35-10-7-30/h3,5,12-15H,2,4,6-11,16H2,1H3 XASOHFCUIQARJT-UHFFFAOYSA-N 50618894 CHEMBL5393771 Cytochrome P450 4B1 Homo sapiens >100000 ChEMBL 10.1021/acs.jmedchem.3c02246 10.7270/Q24X5D58 38552030 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50618894 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000438&target=Cytochrome+P450+4B1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50618894&enzyme=Cytochrome+P450+4B1&column=ki&startPg=0&Increment=50&submit=Search 1 MVPSFLSLSFSSLGLWASGLILVLGFLKLIHLLLRRQTLAKAMDKFPGPPTHWLFGHALEIQETGSLDKVVSWAHQFPYAHPLWFGQFIGFLNIYEPDYAKAVYSRGDPKAPDVYDFFLQWIGRGLLVLEGPKWLQHRKLLTPGFHYDVLKPYVAVFTESTRIMLDKWEEKAREGKSFDIFCDVGHMALNTLMKCTFGRGDTGLGHRDSSYYLAVSDLTLLMQQRLVSFQYHNDFIYWLTPHGRRFLRACQVAHDHTDQVIRERKAALQDEKVRKKIQNRRHLDFLDILLGARDEDDIKLSDADLRAEVDTFMFEGHDTTTSGISWFLYCMALYPEHQHRCREEVREILGDQDFFQWDDLGKMTYLTMCIKESFRLYPPVPQVYRQLSKPVTFVDGRSLPAGSLISMHIYALHRNSAVWPDPEVFDSLRFSTENASKRHPFAFMPFSAGPRNCIGQQFAMSEMKVVTAMCLLRFEFSLDPSRLPIKMPQLVLRSKNGFHLHLKPLGPGSGK Cytochrome P450 4B1 CP4B1_HUMAN P13584 Q1HBI2 Q8TD85 Q8WWF2 Q8WWU9 Q8WWV0 51536826 COc1ccc(c(OC)c1)-c1ccccc1-c1ccc(OC)cc1OC InChI=1S/C22H22O4/c1-23-15-9-11-19(21(13-15)25-3)17-7-5-6-8-18(17)20-12-10-16(24-2)14-22(20)26-4/h5-14H,1-4H3 JFSQUNYISQROTR-UHFFFAOYSA-N 50618183 CHEMBL5406156 Cytochrome P450 4B1 Homo sapiens >10000 ChEMBL 10.1021/acs.jmedchem.2c01368 10.7270/Q2HD810V 36520541 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50618183 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000438&target=Cytochrome+P450+4B1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50618183&enzyme=Cytochrome+P450+4B1&column=ki&startPg=0&Increment=50&submit=Search 1 MVPSFLSLSFSSLGLWASGLILVLGFLKLIHLLLRRQTLAKAMDKFPGPPTHWLFGHALEIQETGSLDKVVSWAHQFPYAHPLWFGQFIGFLNIYEPDYAKAVYSRGDPKAPDVYDFFLQWIGRGLLVLEGPKWLQHRKLLTPGFHYDVLKPYVAVFTESTRIMLDKWEEKAREGKSFDIFCDVGHMALNTLMKCTFGRGDTGLGHRDSSYYLAVSDLTLLMQQRLVSFQYHNDFIYWLTPHGRRFLRACQVAHDHTDQVIRERKAALQDEKVRKKIQNRRHLDFLDILLGARDEDDIKLSDADLRAEVDTFMFEGHDTTTSGISWFLYCMALYPEHQHRCREEVREILGDQDFFQWDDLGKMTYLTMCIKESFRLYPPVPQVYRQLSKPVTFVDGRSLPAGSLISMHIYALHRNSAVWPDPEVFDSLRFSTENASKRHPFAFMPFSAGPRNCIGQQFAMSEMKVVTAMCLLRFEFSLDPSRLPIKMPQLVLRSKNGFHLHLKPLGPGSGK Cytochrome P450 4B1 CP4B1_HUMAN P13584 Q1HBI2 Q8TD85 Q8WWF2 Q8WWU9 Q8WWV0 51536827 COc1cc(OC)cc(c1)-c1ccccc1-c1cc(OC)cc(OC)c1 InChI=1S/C22H22O4/c1-23-17-9-15(10-18(13-17)24-2)21-7-5-6-8-22(21)16-11-19(25-3)14-20(12-16)26-4/h5-14H,1-4H3 AKWAMRPMBZFDKK-UHFFFAOYSA-N 50618184 CHEMBL5401832 Cytochrome P450 4B1 Homo sapiens >10000 ChEMBL 10.1021/acs.jmedchem.2c01368 10.7270/Q2HD810V 36520541 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50618184 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000438&target=Cytochrome+P450+4B1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50618184&enzyme=Cytochrome+P450+4B1&column=ki&startPg=0&Increment=50&submit=Search 1 MVPSFLSLSFSSLGLWASGLILVLGFLKLIHLLLRRQTLAKAMDKFPGPPTHWLFGHALEIQETGSLDKVVSWAHQFPYAHPLWFGQFIGFLNIYEPDYAKAVYSRGDPKAPDVYDFFLQWIGRGLLVLEGPKWLQHRKLLTPGFHYDVLKPYVAVFTESTRIMLDKWEEKAREGKSFDIFCDVGHMALNTLMKCTFGRGDTGLGHRDSSYYLAVSDLTLLMQQRLVSFQYHNDFIYWLTPHGRRFLRACQVAHDHTDQVIRERKAALQDEKVRKKIQNRRHLDFLDILLGARDEDDIKLSDADLRAEVDTFMFEGHDTTTSGISWFLYCMALYPEHQHRCREEVREILGDQDFFQWDDLGKMTYLTMCIKESFRLYPPVPQVYRQLSKPVTFVDGRSLPAGSLISMHIYALHRNSAVWPDPEVFDSLRFSTENASKRHPFAFMPFSAGPRNCIGQQFAMSEMKVVTAMCLLRFEFSLDPSRLPIKMPQLVLRSKNGFHLHLKPLGPGSGK Cytochrome P450 4B1 CP4B1_HUMAN P13584 Q1HBI2 Q8TD85 Q8WWF2 Q8WWU9 Q8WWV0 51536828 COc1ccc(c(OC)c1)-c1cccc(c1)-c1ccc(OC)cc1OC InChI=1S/C22H22O4/c1-23-17-8-10-19(21(13-17)25-3)15-6-5-7-16(12-15)20-11-9-18(24-2)14-22(20)26-4/h5-14H,1-4H3 LCVVIEZTMKMBGN-UHFFFAOYSA-N 50618185 CHEMBL5406721 Cytochrome P450 4B1 Homo sapiens 3700 ChEMBL 10.1021/acs.jmedchem.2c01368 10.7270/Q2HD810V 36520541 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50618185 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000438&target=Cytochrome+P450+4B1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50618185&enzyme=Cytochrome+P450+4B1&column=ki&startPg=0&Increment=50&submit=Search 1 MVPSFLSLSFSSLGLWASGLILVLGFLKLIHLLLRRQTLAKAMDKFPGPPTHWLFGHALEIQETGSLDKVVSWAHQFPYAHPLWFGQFIGFLNIYEPDYAKAVYSRGDPKAPDVYDFFLQWIGRGLLVLEGPKWLQHRKLLTPGFHYDVLKPYVAVFTESTRIMLDKWEEKAREGKSFDIFCDVGHMALNTLMKCTFGRGDTGLGHRDSSYYLAVSDLTLLMQQRLVSFQYHNDFIYWLTPHGRRFLRACQVAHDHTDQVIRERKAALQDEKVRKKIQNRRHLDFLDILLGARDEDDIKLSDADLRAEVDTFMFEGHDTTTSGISWFLYCMALYPEHQHRCREEVREILGDQDFFQWDDLGKMTYLTMCIKESFRLYPPVPQVYRQLSKPVTFVDGRSLPAGSLISMHIYALHRNSAVWPDPEVFDSLRFSTENASKRHPFAFMPFSAGPRNCIGQQFAMSEMKVVTAMCLLRFEFSLDPSRLPIKMPQLVLRSKNGFHLHLKPLGPGSGK Cytochrome P450 4B1 CP4B1_HUMAN P13584 Q1HBI2 Q8TD85 Q8WWF2 Q8WWU9 Q8WWV0 51536829 COc1cc(OC)cc(c1)-c1cccc(c1)-c1cc(OC)cc(OC)c1 InChI=1S/C22H22O4/c1-23-19-9-17(10-20(13-19)24-2)15-6-5-7-16(8-15)18-11-21(25-3)14-22(12-18)26-4/h5-14H,1-4H3 LBVQOYBCBABATB-UHFFFAOYSA-N 50618186 CHEMBL5395150 Cytochrome P450 4B1 Homo sapiens 10000 ChEMBL 10.1021/acs.jmedchem.2c01368 10.7270/Q2HD810V 36520541 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50618186 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000438&target=Cytochrome+P450+4B1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50618186&enzyme=Cytochrome+P450+4B1&column=ki&startPg=0&Increment=50&submit=Search 1 MVPSFLSLSFSSLGLWASGLILVLGFLKLIHLLLRRQTLAKAMDKFPGPPTHWLFGHALEIQETGSLDKVVSWAHQFPYAHPLWFGQFIGFLNIYEPDYAKAVYSRGDPKAPDVYDFFLQWIGRGLLVLEGPKWLQHRKLLTPGFHYDVLKPYVAVFTESTRIMLDKWEEKAREGKSFDIFCDVGHMALNTLMKCTFGRGDTGLGHRDSSYYLAVSDLTLLMQQRLVSFQYHNDFIYWLTPHGRRFLRACQVAHDHTDQVIRERKAALQDEKVRKKIQNRRHLDFLDILLGARDEDDIKLSDADLRAEVDTFMFEGHDTTTSGISWFLYCMALYPEHQHRCREEVREILGDQDFFQWDDLGKMTYLTMCIKESFRLYPPVPQVYRQLSKPVTFVDGRSLPAGSLISMHIYALHRNSAVWPDPEVFDSLRFSTENASKRHPFAFMPFSAGPRNCIGQQFAMSEMKVVTAMCLLRFEFSLDPSRLPIKMPQLVLRSKNGFHLHLKPLGPGSGK Cytochrome P450 4B1 CP4B1_HUMAN P13584 Q1HBI2 Q8TD85 Q8WWF2 Q8WWU9 Q8WWV0 51536830 COc1ccc(c(OC)c1)-c1ccc(cc1)-c1ccc(OC)cc1OC InChI=1S/C22H22O4/c1-23-17-9-11-19(21(13-17)25-3)15-5-7-16(8-6-15)20-12-10-18(24-2)14-22(20)26-4/h5-14H,1-4H3 WKPQTPAMPZLGTM-UHFFFAOYSA-N 50618187 CHEMBL5426573 Cytochrome P450 4B1 Homo sapiens >10000 ChEMBL 10.1021/acs.jmedchem.2c01368 10.7270/Q2HD810V 36520541 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50618187 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000438&target=Cytochrome+P450+4B1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50618187&enzyme=Cytochrome+P450+4B1&column=ki&startPg=0&Increment=50&submit=Search 1 MVPSFLSLSFSSLGLWASGLILVLGFLKLIHLLLRRQTLAKAMDKFPGPPTHWLFGHALEIQETGSLDKVVSWAHQFPYAHPLWFGQFIGFLNIYEPDYAKAVYSRGDPKAPDVYDFFLQWIGRGLLVLEGPKWLQHRKLLTPGFHYDVLKPYVAVFTESTRIMLDKWEEKAREGKSFDIFCDVGHMALNTLMKCTFGRGDTGLGHRDSSYYLAVSDLTLLMQQRLVSFQYHNDFIYWLTPHGRRFLRACQVAHDHTDQVIRERKAALQDEKVRKKIQNRRHLDFLDILLGARDEDDIKLSDADLRAEVDTFMFEGHDTTTSGISWFLYCMALYPEHQHRCREEVREILGDQDFFQWDDLGKMTYLTMCIKESFRLYPPVPQVYRQLSKPVTFVDGRSLPAGSLISMHIYALHRNSAVWPDPEVFDSLRFSTENASKRHPFAFMPFSAGPRNCIGQQFAMSEMKVVTAMCLLRFEFSLDPSRLPIKMPQLVLRSKNGFHLHLKPLGPGSGK Cytochrome P450 4B1 CP4B1_HUMAN P13584 Q1HBI2 Q8TD85 Q8WWF2 Q8WWU9 Q8WWV0 51536831 COc1cc(OC)cc(c1)-c1ccc(cc1)-c1cc(OC)cc(OC)c1 InChI=1S/C22H22O4/c1-23-19-9-17(10-20(13-19)24-2)15-5-7-16(8-6-15)18-11-21(25-3)14-22(12-18)26-4/h5-14H,1-4H3 MCOVIINYSXENDT-UHFFFAOYSA-N 50618188 CHEMBL5396198 Cytochrome P450 4B1 Homo sapiens >10000 ChEMBL 10.1021/acs.jmedchem.2c01368 10.7270/Q2HD810V 36520541 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50618188 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000438&target=Cytochrome+P450+4B1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50618188&enzyme=Cytochrome+P450+4B1&column=ki&startPg=0&Increment=50&submit=Search 1 MVPSFLSLSFSSLGLWASGLILVLGFLKLIHLLLRRQTLAKAMDKFPGPPTHWLFGHALEIQETGSLDKVVSWAHQFPYAHPLWFGQFIGFLNIYEPDYAKAVYSRGDPKAPDVYDFFLQWIGRGLLVLEGPKWLQHRKLLTPGFHYDVLKPYVAVFTESTRIMLDKWEEKAREGKSFDIFCDVGHMALNTLMKCTFGRGDTGLGHRDSSYYLAVSDLTLLMQQRLVSFQYHNDFIYWLTPHGRRFLRACQVAHDHTDQVIRERKAALQDEKVRKKIQNRRHLDFLDILLGARDEDDIKLSDADLRAEVDTFMFEGHDTTTSGISWFLYCMALYPEHQHRCREEVREILGDQDFFQWDDLGKMTYLTMCIKESFRLYPPVPQVYRQLSKPVTFVDGRSLPAGSLISMHIYALHRNSAVWPDPEVFDSLRFSTENASKRHPFAFMPFSAGPRNCIGQQFAMSEMKVVTAMCLLRFEFSLDPSRLPIKMPQLVLRSKNGFHLHLKPLGPGSGK Cytochrome P450 4B1 CP4B1_HUMAN P13584 Q1HBI2 Q8TD85 Q8WWF2 Q8WWU9 Q8WWV0 51536832 COc1ccc(\C=C\c2cc(OC)cc(OC)c2)c(OC)c1 InChI=1S/C18H20O4/c1-19-15-8-7-14(18(12-15)22-4)6-5-13-9-16(20-2)11-17(10-13)21-3/h5-12H,1-4H3/b6-5+ JDBCWSHYEQUBLW-AATRIKPKSA-N 50108052 1-[(E)-2-(3,5-dimethoxyphenyl)vinyl]-2,4-dimethoxybenzene::CHEMBL46909::trans-2,4,3',5'-tetramethoxystilbene Cytochrome P450 4B1 Homo sapiens 3700 ChEMBL 10.1021/acs.jmedchem.2c01368 10.7270/Q2HD810V 36520541 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50108052 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000438&target=Cytochrome+P450+4B1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50108052&enzyme=Cytochrome+P450+4B1&column=ki&startPg=0&Increment=50&submit=Search 5354004 104003274 CHEMBL46909 ZINC03875137 1 MVPSFLSLSFSSLGLWASGLILVLGFLKLIHLLLRRQTLAKAMDKFPGPPTHWLFGHALEIQETGSLDKVVSWAHQFPYAHPLWFGQFIGFLNIYEPDYAKAVYSRGDPKAPDVYDFFLQWIGRGLLVLEGPKWLQHRKLLTPGFHYDVLKPYVAVFTESTRIMLDKWEEKAREGKSFDIFCDVGHMALNTLMKCTFGRGDTGLGHRDSSYYLAVSDLTLLMQQRLVSFQYHNDFIYWLTPHGRRFLRACQVAHDHTDQVIRERKAALQDEKVRKKIQNRRHLDFLDILLGARDEDDIKLSDADLRAEVDTFMFEGHDTTTSGISWFLYCMALYPEHQHRCREEVREILGDQDFFQWDDLGKMTYLTMCIKESFRLYPPVPQVYRQLSKPVTFVDGRSLPAGSLISMHIYALHRNSAVWPDPEVFDSLRFSTENASKRHPFAFMPFSAGPRNCIGQQFAMSEMKVVTAMCLLRFEFSLDPSRLPIKMPQLVLRSKNGFHLHLKPLGPGSGK Cytochrome P450 4B1 CP4B1_HUMAN P13584 Q1HBI2 Q8TD85 Q8WWF2 Q8WWU9 Q8WWV0 51536833 O=c1cc(oc2c3ccccc3ccc12)-c1ccccc1 InChI=1S/C19H12O2/c20-17-12-18(14-7-2-1-3-8-14)21-19-15-9-5-4-6-13(15)10-11-16(17)19/h1-12H VFMMPHCGEFXGIP-UHFFFAOYSA-N 50014323 2-PHENYL-4H-BENZO[H]CHROMEN-4-ONE::2-Phenyl-benzo[h]chromen-4-one::7,8-Benzoflavone::CHEMBL283196::US11938127, Compound a-naphthoflavone::alpha-naphthoflavone Cytochrome P450 4B1 Homo sapiens >10000 ChEMBL 10.1021/acs.jmedchem.2c01368 10.7270/Q2HD810V 36520541 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50014323 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000438&target=Cytochrome+P450+4B1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50014323&enzyme=Cytochrome+P450+4B1&column=ki&startPg=0&Increment=50&submit=Search BHF 2HI4,3PM0,6OYU,4I8V,7VNH 11790 103926345 CHEMBL283196 DB07453 ZINC00038933 1 MVPSFLSLSFSSLGLWASGLILVLGFLKLIHLLLRRQTLAKAMDKFPGPPTHWLFGHALEIQETGSLDKVVSWAHQFPYAHPLWFGQFIGFLNIYEPDYAKAVYSRGDPKAPDVYDFFLQWIGRGLLVLEGPKWLQHRKLLTPGFHYDVLKPYVAVFTESTRIMLDKWEEKAREGKSFDIFCDVGHMALNTLMKCTFGRGDTGLGHRDSSYYLAVSDLTLLMQQRLVSFQYHNDFIYWLTPHGRRFLRACQVAHDHTDQVIRERKAALQDEKVRKKIQNRRHLDFLDILLGARDEDDIKLSDADLRAEVDTFMFEGHDTTTSGISWFLYCMALYPEHQHRCREEVREILGDQDFFQWDDLGKMTYLTMCIKESFRLYPPVPQVYRQLSKPVTFVDGRSLPAGSLISMHIYALHRNSAVWPDPEVFDSLRFSTENASKRHPFAFMPFSAGPRNCIGQQFAMSEMKVVTAMCLLRFEFSLDPSRLPIKMPQLVLRSKNGFHLHLKPLGPGSGK Cytochrome P450 4B1 CP4B1_HUMAN P13584 Q1HBI2 Q8TD85 Q8WWF2 Q8WWU9 Q8WWV0 51536834 COc1cc(OC)cc(c1)-c1csc(n1)-c1cc(OC)cc(OC)c1 InChI=1S/C19H19NO4S/c1-21-14-5-12(6-15(9-14)22-2)18-11-25-19(20-18)13-7-16(23-3)10-17(8-13)24-4/h5-11H,1-4H3 LCIXINWVKDXOGZ-UHFFFAOYSA-N 50618189 CHEMBL5406117 Cytochrome P450 4B1 Homo sapiens >10000 ChEMBL 10.1021/acs.jmedchem.2c01368 10.7270/Q2HD810V 36520541 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50618189 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000438&target=Cytochrome+P450+4B1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50618189&enzyme=Cytochrome+P450+4B1&column=ki&startPg=0&Increment=50&submit=Search 1 MVPSFLSLSFSSLGLWASGLILVLGFLKLIHLLLRRQTLAKAMDKFPGPPTHWLFGHALEIQETGSLDKVVSWAHQFPYAHPLWFGQFIGFLNIYEPDYAKAVYSRGDPKAPDVYDFFLQWIGRGLLVLEGPKWLQHRKLLTPGFHYDVLKPYVAVFTESTRIMLDKWEEKAREGKSFDIFCDVGHMALNTLMKCTFGRGDTGLGHRDSSYYLAVSDLTLLMQQRLVSFQYHNDFIYWLTPHGRRFLRACQVAHDHTDQVIRERKAALQDEKVRKKIQNRRHLDFLDILLGARDEDDIKLSDADLRAEVDTFMFEGHDTTTSGISWFLYCMALYPEHQHRCREEVREILGDQDFFQWDDLGKMTYLTMCIKESFRLYPPVPQVYRQLSKPVTFVDGRSLPAGSLISMHIYALHRNSAVWPDPEVFDSLRFSTENASKRHPFAFMPFSAGPRNCIGQQFAMSEMKVVTAMCLLRFEFSLDPSRLPIKMPQLVLRSKNGFHLHLKPLGPGSGK Cytochrome P450 4B1 CP4B1_HUMAN P13584 Q1HBI2 Q8TD85 Q8WWF2 Q8WWU9 Q8WWV0 51536835 COc1cc(OC)cc(c1)-c1cn(nn1)-c1cc(OC)cc(OC)c1 InChI=1S/C18H19N3O4/c1-22-14-5-12(6-15(9-14)23-2)18-11-21(20-19-18)13-7-16(24-3)10-17(8-13)25-4/h5-11H,1-4H3 YAWBIJKGFFUIFI-UHFFFAOYSA-N 50618190 CHEMBL380753 Cytochrome P450 4B1 Homo sapiens >10000 ChEMBL 10.1021/acs.jmedchem.2c01368 10.7270/Q2HD810V 36520541 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50618190 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000438&target=Cytochrome+P450+4B1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50618190&enzyme=Cytochrome+P450+4B1&column=ki&startPg=0&Increment=50&submit=Search 1 MVPSFLSLSFSSLGLWASGLILVLGFLKLIHLLLRRQTLAKAMDKFPGPPTHWLFGHALEIQETGSLDKVVSWAHQFPYAHPLWFGQFIGFLNIYEPDYAKAVYSRGDPKAPDVYDFFLQWIGRGLLVLEGPKWLQHRKLLTPGFHYDVLKPYVAVFTESTRIMLDKWEEKAREGKSFDIFCDVGHMALNTLMKCTFGRGDTGLGHRDSSYYLAVSDLTLLMQQRLVSFQYHNDFIYWLTPHGRRFLRACQVAHDHTDQVIRERKAALQDEKVRKKIQNRRHLDFLDILLGARDEDDIKLSDADLRAEVDTFMFEGHDTTTSGISWFLYCMALYPEHQHRCREEVREILGDQDFFQWDDLGKMTYLTMCIKESFRLYPPVPQVYRQLSKPVTFVDGRSLPAGSLISMHIYALHRNSAVWPDPEVFDSLRFSTENASKRHPFAFMPFSAGPRNCIGQQFAMSEMKVVTAMCLLRFEFSLDPSRLPIKMPQLVLRSKNGFHLHLKPLGPGSGK Cytochrome P450 4B1 CP4B1_HUMAN P13584 Q1HBI2 Q8TD85 Q8WWF2 Q8WWU9 Q8WWV0 51536836 COc1cc(OC)cc(c1)-c1ccc(s1)-c1cc(OC)cc(OC)c1 InChI=1S/C20H20O4S/c1-21-15-7-13(8-16(11-15)22-2)19-5-6-20(25-19)14-9-17(23-3)12-18(10-14)24-4/h5-12H,1-4H3 XIHDOHQSLJGWDK-UHFFFAOYSA-N 50618191 CHEMBL5429178 Cytochrome P450 4B1 Homo sapiens 3900 ChEMBL 10.1021/acs.jmedchem.2c01368 10.7270/Q2HD810V 36520541 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50618191 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000438&target=Cytochrome+P450+4B1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50618191&enzyme=Cytochrome+P450+4B1&column=ki&startPg=0&Increment=50&submit=Search 1 MVPSFLSLSFSSLGLWASGLILVLGFLKLIHLLLRRQTLAKAMDKFPGPPTHWLFGHALEIQETGSLDKVVSWAHQFPYAHPLWFGQFIGFLNIYEPDYAKAVYSRGDPKAPDVYDFFLQWIGRGLLVLEGPKWLQHRKLLTPGFHYDVLKPYVAVFTESTRIMLDKWEEKAREGKSFDIFCDVGHMALNTLMKCTFGRGDTGLGHRDSSYYLAVSDLTLLMQQRLVSFQYHNDFIYWLTPHGRRFLRACQVAHDHTDQVIRERKAALQDEKVRKKIQNRRHLDFLDILLGARDEDDIKLSDADLRAEVDTFMFEGHDTTTSGISWFLYCMALYPEHQHRCREEVREILGDQDFFQWDDLGKMTYLTMCIKESFRLYPPVPQVYRQLSKPVTFVDGRSLPAGSLISMHIYALHRNSAVWPDPEVFDSLRFSTENASKRHPFAFMPFSAGPRNCIGQQFAMSEMKVVTAMCLLRFEFSLDPSRLPIKMPQLVLRSKNGFHLHLKPLGPGSGK Cytochrome P450 4B1 CP4B1_HUMAN P13584 Q1HBI2 Q8TD85 Q8WWF2 Q8WWU9 Q8WWV0 51536837 COc1cc(OC)cc(c1)-c1cc(ncn1)-c1cc(OC)cc(OC)c1 InChI=1S/C20H20N2O4/c1-23-15-5-13(6-16(9-15)24-2)19-11-20(22-12-21-19)14-7-17(25-3)10-18(8-14)26-4/h5-12H,1-4H3 FHRJAVCXAUNBBO-UHFFFAOYSA-N 50618192 CHEMBL5438759 Cytochrome P450 4B1 Homo sapiens >10000 ChEMBL 10.1021/acs.jmedchem.2c01368 10.7270/Q2HD810V 36520541 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50618192 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000438&target=Cytochrome+P450+4B1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50618192&enzyme=Cytochrome+P450+4B1&column=ki&startPg=0&Increment=50&submit=Search 1 MVPSFLSLSFSSLGLWASGLILVLGFLKLIHLLLRRQTLAKAMDKFPGPPTHWLFGHALEIQETGSLDKVVSWAHQFPYAHPLWFGQFIGFLNIYEPDYAKAVYSRGDPKAPDVYDFFLQWIGRGLLVLEGPKWLQHRKLLTPGFHYDVLKPYVAVFTESTRIMLDKWEEKAREGKSFDIFCDVGHMALNTLMKCTFGRGDTGLGHRDSSYYLAVSDLTLLMQQRLVSFQYHNDFIYWLTPHGRRFLRACQVAHDHTDQVIRERKAALQDEKVRKKIQNRRHLDFLDILLGARDEDDIKLSDADLRAEVDTFMFEGHDTTTSGISWFLYCMALYPEHQHRCREEVREILGDQDFFQWDDLGKMTYLTMCIKESFRLYPPVPQVYRQLSKPVTFVDGRSLPAGSLISMHIYALHRNSAVWPDPEVFDSLRFSTENASKRHPFAFMPFSAGPRNCIGQQFAMSEMKVVTAMCLLRFEFSLDPSRLPIKMPQLVLRSKNGFHLHLKPLGPGSGK Cytochrome P450 4B1 CP4B1_HUMAN P13584 Q1HBI2 Q8TD85 Q8WWF2 Q8WWU9 Q8WWV0 51536838 COc1cc(OC)cc(c1)-c1ccnc(n1)-c1cc(OC)cc(OC)c1 InChI=1S/C20H20N2O4/c1-23-15-7-13(8-16(11-15)24-2)19-5-6-21-20(22-19)14-9-17(25-3)12-18(10-14)26-4/h5-12H,1-4H3 SAWRGGNAZOBLCU-UHFFFAOYSA-N 50618193 CHEMBL5418617 Cytochrome P450 4B1 Homo sapiens 3800 ChEMBL 10.1021/acs.jmedchem.2c01368 10.7270/Q2HD810V 36520541 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50618193 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000438&target=Cytochrome+P450+4B1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50618193&enzyme=Cytochrome+P450+4B1&column=ki&startPg=0&Increment=50&submit=Search 1 MVPSFLSLSFSSLGLWASGLILVLGFLKLIHLLLRRQTLAKAMDKFPGPPTHWLFGHALEIQETGSLDKVVSWAHQFPYAHPLWFGQFIGFLNIYEPDYAKAVYSRGDPKAPDVYDFFLQWIGRGLLVLEGPKWLQHRKLLTPGFHYDVLKPYVAVFTESTRIMLDKWEEKAREGKSFDIFCDVGHMALNTLMKCTFGRGDTGLGHRDSSYYLAVSDLTLLMQQRLVSFQYHNDFIYWLTPHGRRFLRACQVAHDHTDQVIRERKAALQDEKVRKKIQNRRHLDFLDILLGARDEDDIKLSDADLRAEVDTFMFEGHDTTTSGISWFLYCMALYPEHQHRCREEVREILGDQDFFQWDDLGKMTYLTMCIKESFRLYPPVPQVYRQLSKPVTFVDGRSLPAGSLISMHIYALHRNSAVWPDPEVFDSLRFSTENASKRHPFAFMPFSAGPRNCIGQQFAMSEMKVVTAMCLLRFEFSLDPSRLPIKMPQLVLRSKNGFHLHLKPLGPGSGK Cytochrome P450 4B1 CP4B1_HUMAN P13584 Q1HBI2 Q8TD85 Q8WWF2 Q8WWU9 Q8WWV0 51536839 COc1cc(OC)cc(c1)-c1cncc(c1)-c1cc(OC)cc(OC)c1 InChI=1S/C21H21NO4/c1-23-18-6-14(7-19(10-18)24-2)16-5-17(13-22-12-16)15-8-20(25-3)11-21(9-15)26-4/h5-13H,1-4H3 TUNOATRUPGVURB-UHFFFAOYSA-N 50618194 CHEMBL5405212 Cytochrome P450 4B1 Homo sapiens >10000 ChEMBL 10.1021/acs.jmedchem.2c01368 10.7270/Q2HD810V 36520541 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50618194 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000438&target=Cytochrome+P450+4B1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50618194&enzyme=Cytochrome+P450+4B1&column=ki&startPg=0&Increment=50&submit=Search 1 MVPSFLSLSFSSLGLWASGLILVLGFLKLIHLLLRRQTLAKAMDKFPGPPTHWLFGHALEIQETGSLDKVVSWAHQFPYAHPLWFGQFIGFLNIYEPDYAKAVYSRGDPKAPDVYDFFLQWIGRGLLVLEGPKWLQHRKLLTPGFHYDVLKPYVAVFTESTRIMLDKWEEKAREGKSFDIFCDVGHMALNTLMKCTFGRGDTGLGHRDSSYYLAVSDLTLLMQQRLVSFQYHNDFIYWLTPHGRRFLRACQVAHDHTDQVIRERKAALQDEKVRKKIQNRRHLDFLDILLGARDEDDIKLSDADLRAEVDTFMFEGHDTTTSGISWFLYCMALYPEHQHRCREEVREILGDQDFFQWDDLGKMTYLTMCIKESFRLYPPVPQVYRQLSKPVTFVDGRSLPAGSLISMHIYALHRNSAVWPDPEVFDSLRFSTENASKRHPFAFMPFSAGPRNCIGQQFAMSEMKVVTAMCLLRFEFSLDPSRLPIKMPQLVLRSKNGFHLHLKPLGPGSGK Cytochrome P450 4B1 CP4B1_HUMAN P13584 Q1HBI2 Q8TD85 Q8WWF2 Q8WWU9 Q8WWV0 51536840 COc1ccc(-c2csc(n2)-c2ccc(OC)cc2OC)c(OC)c1 InChI=1S/C19H19NO4S/c1-21-12-5-7-14(17(9-12)23-3)16-11-25-19(20-16)15-8-6-13(22-2)10-18(15)24-4/h5-11H,1-4H3 YXHUKYMJGBZBNB-UHFFFAOYSA-N 50618195 CHEMBL5412548 Cytochrome P450 4B1 Homo sapiens >10000 ChEMBL 10.1021/acs.jmedchem.2c01368 10.7270/Q2HD810V 36520541 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50618195 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000438&target=Cytochrome+P450+4B1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50618195&enzyme=Cytochrome+P450+4B1&column=ki&startPg=0&Increment=50&submit=Search 1 MVPSFLSLSFSSLGLWASGLILVLGFLKLIHLLLRRQTLAKAMDKFPGPPTHWLFGHALEIQETGSLDKVVSWAHQFPYAHPLWFGQFIGFLNIYEPDYAKAVYSRGDPKAPDVYDFFLQWIGRGLLVLEGPKWLQHRKLLTPGFHYDVLKPYVAVFTESTRIMLDKWEEKAREGKSFDIFCDVGHMALNTLMKCTFGRGDTGLGHRDSSYYLAVSDLTLLMQQRLVSFQYHNDFIYWLTPHGRRFLRACQVAHDHTDQVIRERKAALQDEKVRKKIQNRRHLDFLDILLGARDEDDIKLSDADLRAEVDTFMFEGHDTTTSGISWFLYCMALYPEHQHRCREEVREILGDQDFFQWDDLGKMTYLTMCIKESFRLYPPVPQVYRQLSKPVTFVDGRSLPAGSLISMHIYALHRNSAVWPDPEVFDSLRFSTENASKRHPFAFMPFSAGPRNCIGQQFAMSEMKVVTAMCLLRFEFSLDPSRLPIKMPQLVLRSKNGFHLHLKPLGPGSGK Cytochrome P450 4B1 CP4B1_HUMAN P13584 Q1HBI2 Q8TD85 Q8WWF2 Q8WWU9 Q8WWV0 51536841 COc1ccc(-c2nc(cs2)-c2ccc(cc2)C#N)c(OC)c1 InChI=1S/C18H14N2O2S/c1-21-14-7-8-15(17(9-14)22-2)18-20-16(11-23-18)13-5-3-12(10-19)4-6-13/h3-9,11H,1-2H3 SCCIDJLIDOUTOW-UHFFFAOYSA-N 50618197 CHEMBL5394220 Cytochrome P450 4B1 Homo sapiens >10000 ChEMBL 10.1021/acs.jmedchem.2c01368 10.7270/Q2HD810V 36520541 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50618197 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000438&target=Cytochrome+P450+4B1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50618197&enzyme=Cytochrome+P450+4B1&column=ki&startPg=0&Increment=50&submit=Search 1 MVPSFLSLSFSSLGLWASGLILVLGFLKLIHLLLRRQTLAKAMDKFPGPPTHWLFGHALEIQETGSLDKVVSWAHQFPYAHPLWFGQFIGFLNIYEPDYAKAVYSRGDPKAPDVYDFFLQWIGRGLLVLEGPKWLQHRKLLTPGFHYDVLKPYVAVFTESTRIMLDKWEEKAREGKSFDIFCDVGHMALNTLMKCTFGRGDTGLGHRDSSYYLAVSDLTLLMQQRLVSFQYHNDFIYWLTPHGRRFLRACQVAHDHTDQVIRERKAALQDEKVRKKIQNRRHLDFLDILLGARDEDDIKLSDADLRAEVDTFMFEGHDTTTSGISWFLYCMALYPEHQHRCREEVREILGDQDFFQWDDLGKMTYLTMCIKESFRLYPPVPQVYRQLSKPVTFVDGRSLPAGSLISMHIYALHRNSAVWPDPEVFDSLRFSTENASKRHPFAFMPFSAGPRNCIGQQFAMSEMKVVTAMCLLRFEFSLDPSRLPIKMPQLVLRSKNGFHLHLKPLGPGSGK Cytochrome P450 4B1 CP4B1_HUMAN P13584 Q1HBI2 Q8TD85 Q8WWF2 Q8WWU9 Q8WWV0 51536842 COc1ccc(-c2nc(cs2)-c2ccc(O)cc2)c(OC)c1 InChI=1S/C17H15NO3S/c1-20-13-7-8-14(16(9-13)21-2)17-18-15(10-22-17)11-3-5-12(19)6-4-11/h3-10,19H,1-2H3 HEJLHRSYTRXIQY-UHFFFAOYSA-N 50618198 CHEMBL5406218 Cytochrome P450 4B1 Homo sapiens 5900 ChEMBL 10.1021/acs.jmedchem.2c01368 10.7270/Q2HD810V 36520541 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50618198 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000438&target=Cytochrome+P450+4B1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50618198&enzyme=Cytochrome+P450+4B1&column=ki&startPg=0&Increment=50&submit=Search 1 MVPSFLSLSFSSLGLWASGLILVLGFLKLIHLLLRRQTLAKAMDKFPGPPTHWLFGHALEIQETGSLDKVVSWAHQFPYAHPLWFGQFIGFLNIYEPDYAKAVYSRGDPKAPDVYDFFLQWIGRGLLVLEGPKWLQHRKLLTPGFHYDVLKPYVAVFTESTRIMLDKWEEKAREGKSFDIFCDVGHMALNTLMKCTFGRGDTGLGHRDSSYYLAVSDLTLLMQQRLVSFQYHNDFIYWLTPHGRRFLRACQVAHDHTDQVIRERKAALQDEKVRKKIQNRRHLDFLDILLGARDEDDIKLSDADLRAEVDTFMFEGHDTTTSGISWFLYCMALYPEHQHRCREEVREILGDQDFFQWDDLGKMTYLTMCIKESFRLYPPVPQVYRQLSKPVTFVDGRSLPAGSLISMHIYALHRNSAVWPDPEVFDSLRFSTENASKRHPFAFMPFSAGPRNCIGQQFAMSEMKVVTAMCLLRFEFSLDPSRLPIKMPQLVLRSKNGFHLHLKPLGPGSGK Cytochrome P450 4B1 CP4B1_HUMAN P13584 Q1HBI2 Q8TD85 Q8WWF2 Q8WWU9 Q8WWV0 51536843 COc1ccc(cc1)-c1csc(n1)-c1ccc(OC)cc1OC InChI=1S/C18H17NO3S/c1-20-13-6-4-12(5-7-13)16-11-23-18(19-16)15-9-8-14(21-2)10-17(15)22-3/h4-11H,1-3H3 CIRWWRSMLZIOQC-UHFFFAOYSA-N 50618199 CHEMBL5425709 Cytochrome P450 4B1 Homo sapiens >10000 ChEMBL 10.1021/acs.jmedchem.2c01368 10.7270/Q2HD810V 36520541 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50618199 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000438&target=Cytochrome+P450+4B1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50618199&enzyme=Cytochrome+P450+4B1&column=ki&startPg=0&Increment=50&submit=Search 1 MVPSFLSLSFSSLGLWASGLILVLGFLKLIHLLLRRQTLAKAMDKFPGPPTHWLFGHALEIQETGSLDKVVSWAHQFPYAHPLWFGQFIGFLNIYEPDYAKAVYSRGDPKAPDVYDFFLQWIGRGLLVLEGPKWLQHRKLLTPGFHYDVLKPYVAVFTESTRIMLDKWEEKAREGKSFDIFCDVGHMALNTLMKCTFGRGDTGLGHRDSSYYLAVSDLTLLMQQRLVSFQYHNDFIYWLTPHGRRFLRACQVAHDHTDQVIRERKAALQDEKVRKKIQNRRHLDFLDILLGARDEDDIKLSDADLRAEVDTFMFEGHDTTTSGISWFLYCMALYPEHQHRCREEVREILGDQDFFQWDDLGKMTYLTMCIKESFRLYPPVPQVYRQLSKPVTFVDGRSLPAGSLISMHIYALHRNSAVWPDPEVFDSLRFSTENASKRHPFAFMPFSAGPRNCIGQQFAMSEMKVVTAMCLLRFEFSLDPSRLPIKMPQLVLRSKNGFHLHLKPLGPGSGK Cytochrome P450 4B1 CP4B1_HUMAN P13584 Q1HBI2 Q8TD85 Q8WWF2 Q8WWU9 Q8WWV0 51536844 COc1ccc(-c2nc(cs2)-c2ccc(F)cc2)c(OC)c1 InChI=1S/C17H14FNO2S/c1-20-13-7-8-14(16(9-13)21-2)17-19-15(10-22-17)11-3-5-12(18)6-4-11/h3-10H,1-2H3 GGALBINQVPFOCK-UHFFFAOYSA-N 50618200 CHEMBL5401046 Cytochrome P450 4B1 Homo sapiens >10000 ChEMBL 10.1021/acs.jmedchem.2c01368 10.7270/Q2HD810V 36520541 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50618200 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000438&target=Cytochrome+P450+4B1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50618200&enzyme=Cytochrome+P450+4B1&column=ki&startPg=0&Increment=50&submit=Search 1 MVPSFLSLSFSSLGLWASGLILVLGFLKLIHLLLRRQTLAKAMDKFPGPPTHWLFGHALEIQETGSLDKVVSWAHQFPYAHPLWFGQFIGFLNIYEPDYAKAVYSRGDPKAPDVYDFFLQWIGRGLLVLEGPKWLQHRKLLTPGFHYDVLKPYVAVFTESTRIMLDKWEEKAREGKSFDIFCDVGHMALNTLMKCTFGRGDTGLGHRDSSYYLAVSDLTLLMQQRLVSFQYHNDFIYWLTPHGRRFLRACQVAHDHTDQVIRERKAALQDEKVRKKIQNRRHLDFLDILLGARDEDDIKLSDADLRAEVDTFMFEGHDTTTSGISWFLYCMALYPEHQHRCREEVREILGDQDFFQWDDLGKMTYLTMCIKESFRLYPPVPQVYRQLSKPVTFVDGRSLPAGSLISMHIYALHRNSAVWPDPEVFDSLRFSTENASKRHPFAFMPFSAGPRNCIGQQFAMSEMKVVTAMCLLRFEFSLDPSRLPIKMPQLVLRSKNGFHLHLKPLGPGSGK Cytochrome P450 4B1 CP4B1_HUMAN P13584 Q1HBI2 Q8TD85 Q8WWF2 Q8WWU9 Q8WWV0