Compile Data Set for Download or QSAR

Found 57 hits Enz. Inhib. hit(s) with Target = 'Cytochrome P450 3A4/3A5'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Cytochrome P450 3A4/3A5 (Homo sapiens (Human))	BDBM8610 (1-[4-(4-{[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1H-imi...) Show SMILES [H][C@]1(COc2ccc(cc2)N2CCN(CC2)C(C)=O)CO[C@@](Cn2ccnc2)(O1)c1ccc(Cl)cc1Cl |r| Show InChI InChI=1S/C26H28Cl2N4O4/c1-19(33)31-10-12-32(13-11-31)21-3-5-22(6-4-21)34-15-23-16-35-26(36-23,17-30-9-8-29-18-30)24-7-2-20(27)14-25(24)28/h2-9,14,18,23H,10-13,15-17H2,1H3/t23-,26-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of CYP3A4/5 in human liver microsomes using Midazolam as substrate measured after 20 mins by LC-MS/MS analysis				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113174 BindingDB Entry DOI: 10.7270/Q26M3BM1
					More data for this Ligand-Target Pair
Cytochrome P450 3A4/3A5 (Homo sapiens (Human))	BDBM50490735 (CHEMBL1863002 | DNDI1449875) Show SMILES Fc1cc(Cl)ccc1C(N1CCN(CC1)C(=O)Nc1ccc(Cl)cc1)c1cncnc1 Show InChI InChI=1S/C22H20Cl2FN5O/c23-16-1-4-18(5-2-16)28-22(31)30-9-7-29(8-10-30)21(15-12-26-14-27-13-15)19-6-3-17(24)11-20(19)25/h1-6,11-14,21H,7-10H2,(H,28,31)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/a
Epichem Pty Ltd Curated by ChEMBL					Assay Description Inhibition of CYP3A4/5 in human liver microsomes assessed as reduction in testosterone-beta-hydroxylation				Bioorg Med Chem 21: 1756-63 (2013) Article DOI: 10.1016/j.bmc.2013.01.050 BindingDB Entry DOI: 10.7270/Q2WH2SWS
					More data for this Ligand-Target Pair
Cytochrome P450 3A4/3A5 (Homo sapiens (Human))	BDBM50490750 (CHEMBL2334336) Show SMILES Fc1cc(Cl)ccc1C(N1CCN(CC1)S(=O)(=O)c1ccccc1)c1cccnc1 Show InChI InChI=1S/C22H21ClFN3O2S/c23-18-8-9-20(21(24)15-18)22(17-5-4-10-25-16-17)26-11-13-27(14-12-26)30(28,29)19-6-2-1-3-7-19/h1-10,15-16,22H,11-14H2	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	600	n/a	n/a	n/a	n/a	n/a	n/a
Epichem Pty Ltd Curated by ChEMBL					Assay Description Inhibition of CYP3A4/5 in human liver microsomes assessed as reduction in testosterone-beta-hydroxylation				Bioorg Med Chem 21: 1756-63 (2013) Article DOI: 10.1016/j.bmc.2013.01.050 BindingDB Entry DOI: 10.7270/Q2WH2SWS
					More data for this Ligand-Target Pair
Cytochrome P450 3A4/3A5 (Homo sapiens (Human))	BDBM50014757 ((4-Chloro-phenyl)-(2-chloro-phenyl)-pyridin-3-yl-m...) Show SMILES OC(c1ccc(Cl)cc1)(c1cccnc1)c1ccccc1Cl Show InChI InChI=1S/C18H13Cl2NO/c19-15-9-7-13(8-10-15)18(22,14-4-3-11-21-12-14)16-5-1-2-6-17(16)20/h1-12,22H	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	600	n/a	n/a	n/a	n/a	n/a	n/a
Epichem Pty Ltd Curated by ChEMBL					Assay Description Inhibition of CYP3A4/5 in human liver microsomes				J Med Chem 55: 4189-204 (2012) Article DOI: 10.1021/jm2015809 BindingDB Entry DOI: 10.7270/Q2TX3J6T
					More data for this Ligand-Target Pair
Cytochrome P450 3A4/3A5 (Homo sapiens (Human))	BDBM50490748 (CHEMBL1863056 | DNDI1435775) Show SMILES CC(C)S(=O)(=O)N1CCN(CC1)C(c1ccc(Cl)cc1)c1cccnc1 Show InChI InChI=1S/C19H24ClN3O2S/c1-15(2)26(24,25)23-12-10-22(11-13-23)19(17-4-3-9-21-14-17)16-5-7-18(20)8-6-16/h3-9,14-15,19H,10-13H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	810	n/a	n/a	n/a	n/a	n/a	n/a
Epichem Pty Ltd Curated by ChEMBL					Assay Description Inhibition of CYP3A4/5 in human liver microsomes assessed as reduction in testosterone-beta-hydroxylation				Bioorg Med Chem 21: 1756-63 (2013) Article DOI: 10.1016/j.bmc.2013.01.050 BindingDB Entry DOI: 10.7270/Q2WH2SWS
					More data for this Ligand-Target Pair
Cytochrome P450 3A4/3A5 (Homo sapiens (Human))	BDBM50485474 (CHEMBL1862838 | DNDI1322027) Show SMILES OC(c1ccc(Cl)cc1)(c1cccnc1)c1ccc(Cl)cc1F Show InChI InChI=1S/C18H12Cl2FNO/c19-14-5-3-12(4-6-14)18(23,13-2-1-9-22-11-13)16-8-7-15(20)10-17(16)21/h1-11,23H	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	900	n/a	n/a	n/a	n/a	n/a	n/a
Epichem Pty Ltd Curated by ChEMBL					Assay Description Inhibition of CYP3A4/5 in human liver microsomes				J Med Chem 55: 4189-204 (2012) Article DOI: 10.1021/jm2015809 BindingDB Entry DOI: 10.7270/Q2TX3J6T
					More data for this Ligand-Target Pair
Cytochrome P450 3A4/3A5 (Homo sapiens (Human))	BDBM50490737 (CHEMBL1863288 | DNDI1538112) Show SMILES CS(=O)(=O)N1CCN(CC1)C(c1cccnc1)c1ccc(cc1F)C(F)(F)F Show InChI InChI=1S/C18H19F4N3O2S/c1-28(26,27)25-9-7-24(8-10-25)17(13-3-2-6-23-12-13)15-5-4-14(11-16(15)19)18(20,21)22/h2-6,11-12,17H,7-10H2,1H3	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Epichem Pty Ltd Curated by ChEMBL					Assay Description Inhibition of CYP3A4/5 in human liver microsomes assessed as reduction in testosterone-beta-hydroxylation				Bioorg Med Chem 21: 1756-63 (2013) Article DOI: 10.1016/j.bmc.2013.01.050 BindingDB Entry DOI: 10.7270/Q2WH2SWS
					More data for this Ligand-Target Pair
Cytochrome P450 3A4/3A5 (Homo sapiens (Human))	BDBM50490744 (CHEMBL1862905 | DNDI1467768) Show SMILES CC(C)(C)C(=O)N1CCN(CC1)C(c1cccnc1)c1ccc(Cl)cc1F Show InChI InChI=1S/C21H25ClFN3O/c1-21(2,3)20(27)26-11-9-25(10-12-26)19(15-5-4-8-24-14-15)17-7-6-16(22)13-18(17)23/h4-8,13-14,19H,9-12H2,1-3H3	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Epichem Pty Ltd Curated by ChEMBL					Assay Description Inhibition of CYP3A4/5 in human liver microsomes assessed as reduction in testosterone-beta-hydroxylation				Bioorg Med Chem 21: 1756-63 (2013) Article DOI: 10.1016/j.bmc.2013.01.050 BindingDB Entry DOI: 10.7270/Q2WH2SWS
					More data for this Ligand-Target Pair
Cytochrome P450 3A4/3A5 (Homo sapiens (Human))	BDBM50485473 (CHEMBL1863499 | DNDI1336037) Show SMILES CC(C)Oc1ccc(cc1)C(O)(c1cccnc1)c1ccc(Cl)cc1F Show InChI InChI=1S/C21H19ClFNO2/c1-14(2)26-18-8-5-15(6-9-18)21(25,16-4-3-11-24-13-16)19-10-7-17(22)12-20(19)23/h3-14,25H,1-2H3	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Epichem Pty Ltd Curated by ChEMBL					Assay Description Inhibition of CYP3A4/5 in human liver microsomes				J Med Chem 55: 4189-204 (2012) Article DOI: 10.1021/jm2015809 BindingDB Entry DOI: 10.7270/Q2TX3J6T
					More data for this Ligand-Target Pair
Cytochrome P450 3A4/3A5 (Homo sapiens (Human))	BDBM50490736 (CHEMBL1863145 | DNDI1343536) Show SMILES CS(=O)(=O)N1CCN(CC1)C(c1cccnc1)c1ccc(Cl)cc1F Show InChI InChI=1S/C17H19ClFN3O2S/c1-25(23,24)22-9-7-21(8-10-22)17(13-3-2-6-20-12-13)15-5-4-14(18)11-16(15)19/h2-6,11-12,17H,7-10H2,1H3	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Epichem Pty Ltd Curated by ChEMBL					Assay Description Inhibition of CYP3A4/5 in human liver microsomes assessed as reduction in testosterone-beta-hydroxylation				Bioorg Med Chem 21: 1756-63 (2013) Article DOI: 10.1016/j.bmc.2013.01.050 BindingDB Entry DOI: 10.7270/Q2WH2SWS
					More data for this Ligand-Target Pair
Cytochrome P450 3A4/3A5 (Homo sapiens (Human))	BDBM50485471 (CHEMBL1863383 | DNDI1335912) Show SMILES OC(c1ccc(cc1)C(F)(F)F)(c1cccnc1)c1ccc(Cl)cc1F Show InChI InChI=1S/C19H12ClF4NO/c20-15-7-8-16(17(21)10-15)18(26,14-2-1-9-25-11-14)12-3-5-13(6-4-12)19(22,23)24/h1-11,26H	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Epichem Pty Ltd Curated by ChEMBL					Assay Description Inhibition of CYP3A4/5 in human liver microsomes				J Med Chem 55: 4189-204 (2012) Article DOI: 10.1021/jm2015809 BindingDB Entry DOI: 10.7270/Q2TX3J6T
					More data for this Ligand-Target Pair
Cytochrome P450 3A4/3A5 (Homo sapiens (Human))	BDBM50485466 (CHEMBL1863004 | DNDI1335913) Show SMILES CC(C)Oc1ccc(cc1)C(O)(c1ccc(cc1)C(F)(F)F)c1cccnc1 Show InChI InChI=1S/C22H20F3NO2/c1-15(2)28-20-11-9-17(10-12-20)21(27,19-4-3-13-26-14-19)16-5-7-18(8-6-16)22(23,24)25/h3-15,27H,1-2H3	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Epichem Pty Ltd Curated by ChEMBL					Assay Description Inhibition of CYP3A4/5 in human liver microsomes				J Med Chem 55: 4189-204 (2012) Article DOI: 10.1021/jm2015809 BindingDB Entry DOI: 10.7270/Q2TX3J6T
					More data for this Ligand-Target Pair
Cytochrome P450 3A4/3A5 (Homo sapiens (Human))	BDBM50490742 (CHEMBL1863462 | DNDI1460901) Show SMILES Fc1cc(Cl)ccc1C(N1CCN(CC1)C(=O)C1CC1)c1cccnc1 Show InChI InChI=1S/C20H21ClFN3O/c21-16-5-6-17(18(22)12-16)19(15-2-1-7-23-13-15)24-8-10-25(11-9-24)20(26)14-3-4-14/h1-2,5-7,12-14,19H,3-4,8-11H2	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Epichem Pty Ltd Curated by ChEMBL					Assay Description Inhibition of CYP3A4/5 in human liver microsomes assessed as reduction in testosterone-beta-hydroxylation				Bioorg Med Chem 21: 1756-63 (2013) Article DOI: 10.1016/j.bmc.2013.01.050 BindingDB Entry DOI: 10.7270/Q2WH2SWS
					More data for this Ligand-Target Pair
Cytochrome P450 3A4/3A5 (Homo sapiens (Human))	BDBM50485476 (CHEMBL1863160 | DNDI1294211) Show SMILES CC(C)Oc1ccc(cc1)C(O)(c1ccc(Cl)cc1)c1cccnc1 Show InChI InChI=1S/C21H20ClNO2/c1-15(2)25-20-11-7-17(8-12-20)21(24,18-4-3-13-23-14-18)16-5-9-19(22)10-6-16/h3-15,24H,1-2H3	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Epichem Pty Ltd Curated by ChEMBL					Assay Description Inhibition of CYP3A4/5 in human liver microsomes				J Med Chem 55: 4189-204 (2012) Article DOI: 10.1021/jm2015809 BindingDB Entry DOI: 10.7270/Q2TX3J6T
					More data for this Ligand-Target Pair
Cytochrome P450 3A4/3A5 (Homo sapiens (Human))	BDBM50490749 (CHEMBL1862798 | DNDI1434923) Show SMILES Clc1ccc(cc1)C(N1CCN(CC1)S(=O)(=O)c1ccccc1)c1cccnc1 Show InChI InChI=1S/C22H22ClN3O2S/c23-20-10-8-18(9-11-20)22(19-5-4-12-24-17-19)25-13-15-26(16-14-25)29(27,28)21-6-2-1-3-7-21/h1-12,17,22H,13-16H2	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Epichem Pty Ltd Curated by ChEMBL					Assay Description Inhibition of CYP3A4/5 in human liver microsomes assessed as reduction in testosterone-beta-hydroxylation				Bioorg Med Chem 21: 1756-63 (2013) Article DOI: 10.1016/j.bmc.2013.01.050 BindingDB Entry DOI: 10.7270/Q2WH2SWS
					More data for this Ligand-Target Pair
Cytochrome P450 3A4/3A5 (Homo sapiens (Human))	BDBM50490743 (CHEMBL1863046 | DNDI1434940) Show SMILES CC(C)(C)OC(=O)N1CCN(CC1)C(c1cccnc1)c1ccc(Cl)cc1F Show InChI InChI=1S/C21H25ClFN3O2/c1-21(2,3)28-20(27)26-11-9-25(10-12-26)19(15-5-4-8-24-14-15)17-7-6-16(22)13-18(17)23/h4-8,13-14,19H,9-12H2,1-3H3	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Epichem Pty Ltd Curated by ChEMBL					Assay Description Inhibition of CYP3A4/5 in human liver microsomes assessed as reduction in testosterone-beta-hydroxylation				Bioorg Med Chem 21: 1756-63 (2013) Article DOI: 10.1016/j.bmc.2013.01.050 BindingDB Entry DOI: 10.7270/Q2WH2SWS
					More data for this Ligand-Target Pair
Cytochrome P450 3A4/3A5 (Homo sapiens (Human))	BDBM50490753 (CHEMBL1863455 | DNDI1465083) Show SMILES CC(C)(C)C(=O)N1CCN(CC1)C(c1ccc(cc1)C(F)(F)F)c1cccnc1 Show InChI InChI=1S/C22H26F3N3O/c1-21(2,3)20(29)28-13-11-27(12-14-28)19(17-5-4-10-26-15-17)16-6-8-18(9-7-16)22(23,24)25/h4-10,15,19H,11-14H2,1-3H3	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Epichem Pty Ltd Curated by ChEMBL					Assay Description Inhibition of CYP3A4/5 in human liver microsomes assessed as reduction in testosterone-beta-hydroxylation				Bioorg Med Chem 21: 1756-63 (2013) Article DOI: 10.1016/j.bmc.2013.01.050 BindingDB Entry DOI: 10.7270/Q2WH2SWS
					More data for this Ligand-Target Pair
Cytochrome P450 3A4/3A5 (Homo sapiens (Human))	BDBM50485475 (CHEMBL1863146 | DNDI1336031) Show SMILES NC(=O)c1cccc(c1)C(O)(c1ccc(Cl)cc1)c1cccnc1 Show InChI InChI=1S/C19H15ClN2O2/c20-17-8-6-14(7-9-17)19(24,16-5-2-10-22-12-16)15-4-1-3-13(11-15)18(21)23/h1-12,24H,(H2,21,23)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Epichem Pty Ltd Curated by ChEMBL					Assay Description Inhibition of CYP3A4/5 in human liver microsomes				J Med Chem 55: 4189-204 (2012) Article DOI: 10.1021/jm2015809 BindingDB Entry DOI: 10.7270/Q2TX3J6T
					More data for this Ligand-Target Pair
Cytochrome P450 3A4/3A5 (Homo sapiens (Human))	BDBM50490741 (CHEMBL2334337) Show SMILES Cc1csc(n1)C(=O)N1CCN(CC1)C(c1cccnc1)c1ccc(Cl)cc1F Show InChI InChI=1S/C21H20ClFN4OS/c1-14-13-29-20(25-14)21(28)27-9-7-26(8-10-27)19(15-3-2-6-24-12-15)17-5-4-16(22)11-18(17)23/h2-6,11-13,19H,7-10H2,1H3	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Epichem Pty Ltd Curated by ChEMBL					Assay Description Inhibition of CYP3A4/5 in human liver microsomes assessed as reduction in testosterone-beta-hydroxylation				Bioorg Med Chem 21: 1756-63 (2013) Article DOI: 10.1016/j.bmc.2013.01.050 BindingDB Entry DOI: 10.7270/Q2WH2SWS
					More data for this Ligand-Target Pair
Cytochrome P450 3A4/3A5 (Homo sapiens (Human))	BDBM50490751 (CHEMBL1863306 | DNDI1434944) Show SMILES CC(C)(C)OC(=O)N1CCN(CC1)C(c1cncnc1)c1ccc(Cl)cc1F Show InChI InChI=1S/C20H24ClFN4O2/c1-20(2,3)28-19(27)26-8-6-25(7-9-26)18(14-11-23-13-24-12-14)16-5-4-15(21)10-17(16)22/h4-5,10-13,18H,6-9H2,1-3H3	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Epichem Pty Ltd Curated by ChEMBL					Assay Description Inhibition of CYP3A4/5 in human liver microsomes assessed as reduction in testosterone-beta-hydroxylation				Bioorg Med Chem 21: 1756-63 (2013) Article DOI: 10.1016/j.bmc.2013.01.050 BindingDB Entry DOI: 10.7270/Q2WH2SWS
					More data for this Ligand-Target Pair
Cytochrome P450 3A4/3A5 (Homo sapiens (Human))	BDBM50490745 (CHEMBL1863273 | DNDI1338491) Show SMILES CS(=O)(=O)N1CCN(CC1)C(c1ccc(Cl)cc1)c1cccnc1 Show InChI InChI=1S/C17H20ClN3O2S/c1-24(22,23)21-11-9-20(10-12-21)17(15-3-2-8-19-13-15)14-4-6-16(18)7-5-14/h2-8,13,17H,9-12H2,1H3	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Epichem Pty Ltd Curated by ChEMBL					Assay Description Inhibition of CYP3A4/5 in human liver microsomes assessed as reduction in testosterone-beta-hydroxylation				Bioorg Med Chem 21: 1756-63 (2013) Article DOI: 10.1016/j.bmc.2013.01.050 BindingDB Entry DOI: 10.7270/Q2WH2SWS
					More data for this Ligand-Target Pair
Cytochrome P450 3A4/3A5 (Homo sapiens (Human))	BDBM50485468 (CHEMBL1863039 | DNDI1467766) Show SMILES NC(=O)c1cccc(c1)C(O)(c1cccnc1)c1ccc(Cl)cc1F Show InChI InChI=1S/C19H14ClFN2O2/c20-15-6-7-16(17(21)10-15)19(25,14-5-2-8-23-11-14)13-4-1-3-12(9-13)18(22)24/h1-11,25H,(H2,22,24)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Epichem Pty Ltd Curated by ChEMBL					Assay Description Inhibition of CYP3A4/5 in human liver microsomes				J Med Chem 55: 4189-204 (2012) Article DOI: 10.1021/jm2015809 BindingDB Entry DOI: 10.7270/Q2TX3J6T
					More data for this Ligand-Target Pair
Cytochrome P450 3A4/3A5 (Homo sapiens (Human))	BDBM50490752 (CHEMBL1862941 | DNDI1551253) Show SMILES CC(C)(C)C(=O)N1CCN(CC1)C(c1cccnc1)c1ccc(cc1F)C(F)(F)F Show InChI InChI=1S/C22H25F4N3O/c1-21(2,3)20(30)29-11-9-28(10-12-29)19(15-5-4-8-27-14-15)17-7-6-16(13-18(17)23)22(24,25)26/h4-8,13-14,19H,9-12H2,1-3H3	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Epichem Pty Ltd Curated by ChEMBL					Assay Description Inhibition of CYP3A4/5 in human liver microsomes assessed as reduction in testosterone-beta-hydroxylation				Bioorg Med Chem 21: 1756-63 (2013) Article DOI: 10.1016/j.bmc.2013.01.050 BindingDB Entry DOI: 10.7270/Q2WH2SWS
					More data for this Ligand-Target Pair
Cytochrome P450 3A4/3A5 (Homo sapiens (Human))	BDBM50490746 (CHEMBL1863393 | DNDI1388149) Show SMILES Fc1cc(Cl)ccc1C(N1CCN(CC1)C(=O)C1CCCCC1)c1cccnc1 Show InChI InChI=1S/C23H27ClFN3O/c24-19-8-9-20(21(25)15-19)22(18-7-4-10-26-16-18)27-11-13-28(14-12-27)23(29)17-5-2-1-3-6-17/h4,7-10,15-17,22H,1-3,5-6,11-14H2	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Epichem Pty Ltd Curated by ChEMBL					Assay Description Inhibition of CYP3A4/5 in human liver microsomes assessed as reduction in testosterone-beta-hydroxylation				Bioorg Med Chem 21: 1756-63 (2013) Article DOI: 10.1016/j.bmc.2013.01.050 BindingDB Entry DOI: 10.7270/Q2WH2SWS
					More data for this Ligand-Target Pair
Cytochrome P450 3A4/3A5 (Homo sapiens (Human))	BDBM50485467 (CHEMBL1863325 | DNDI1574842) Show SMILES OC(c1ccc(cc1)C(F)(F)F)(c1cccnc1)c1ccc(cc1F)C#N Show InChI InChI=1S/C20H12F4N2O/c21-18-10-13(11-25)3-8-17(18)19(27,16-2-1-9-26-12-16)14-4-6-15(7-5-14)20(22,23)24/h1-10,12,27H	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Epichem Pty Ltd Curated by ChEMBL					Assay Description Inhibition of CYP3A4/5 in human liver microsomes				J Med Chem 55: 4189-204 (2012) Article DOI: 10.1021/jm2015809 BindingDB Entry DOI: 10.7270/Q2TX3J6T
					More data for this Ligand-Target Pair
Cytochrome P450 3A4/3A5 (Homo sapiens (Human))	BDBM50485470 (CHEMBL1863007 | DNDI1342987) Show SMILES CC(C)Oc1ncc(cn1)C(O)(c1cccnc1)c1ccc(Cl)cc1F Show InChI InChI=1S/C19H17ClFN3O2/c1-12(2)26-18-23-10-14(11-24-18)19(25,13-4-3-7-22-9-13)16-6-5-15(20)8-17(16)21/h3-12,25H,1-2H3	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Epichem Pty Ltd Curated by ChEMBL					Assay Description Inhibition of CYP3A4/5 in human liver microsomes				J Med Chem 55: 4189-204 (2012) Article DOI: 10.1021/jm2015809 BindingDB Entry DOI: 10.7270/Q2TX3J6T
					More data for this Ligand-Target Pair
Cytochrome P450 3A4/3A5 (Homo sapiens (Human))	BDBM50485469 (CHEMBL1863183 | DNDI1268111) Show SMILES OC(c1ccc(Cl)cc1)(c1cccnc1)c1cncnc1 Show InChI InChI=1S/C16H12ClN3O/c17-15-5-3-12(4-6-15)16(21,13-2-1-7-18-8-13)14-9-19-11-20-10-14/h1-11,21H	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Epichem Pty Ltd Curated by ChEMBL					Assay Description Inhibition of CYP3A4/5 in human liver microsomes				J Med Chem 55: 4189-204 (2012) Article DOI: 10.1021/jm2015809 BindingDB Entry DOI: 10.7270/Q2TX3J6T
					More data for this Ligand-Target Pair
Cytochrome P450 3A4/3A5 (Homo sapiens (Human))	BDBM50538344 (CHEMBL4633246) Show SMILES Cc1c(Cc2ccc(nc2)C(F)(F)F)c[nH]c1C(=O)NC1CC1 Show InChI InChI=1S/C16H16F3N3O/c1-9-11(8-21-14(9)15(23)22-12-3-4-12)6-10-2-5-13(20-7-10)16(17,18)19/h2,5,7-8,12,21H,3-4,6H2,1H3,(H,22,23)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Washington Curated by ChEMBL					Assay Description Inhibition of CYP3A4/5 in human liver microsomes using midazolam as substrate preincubated for 30 mins followed by substrate addition and measured af...				J Med Chem 63: 4929-4956 (2020) Article DOI: 10.1021/acs.jmedchem.0c00311 BindingDB Entry DOI: 10.7270/Q2M90D6Z
					More data for this Ligand-Target Pair
Cytochrome P450 3A4/3A5 (Homo sapiens (Human))	BDBM50538344 (CHEMBL4633246) Show SMILES Cc1c(Cc2ccc(nc2)C(F)(F)F)c[nH]c1C(=O)NC1CC1 Show InChI InChI=1S/C16H16F3N3O/c1-9-11(8-21-14(9)15(23)22-12-3-4-12)6-10-2-5-13(20-7-10)16(17,18)19/h2,5,7-8,12,21H,3-4,6H2,1H3,(H,22,23)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Washington Curated by ChEMBL					Assay Description Inhibition of CYP3A4/5 in human liver microsomes using testosterone as substrate preincubated for 30 mins followed by substrate addition and measured...				J Med Chem 63: 4929-4956 (2020) Article DOI: 10.1021/acs.jmedchem.0c00311 BindingDB Entry DOI: 10.7270/Q2M90D6Z
					More data for this Ligand-Target Pair
Cytochrome P450 3A4/3A5 (Homo sapiens (Human))	BDBM50490738 (CHEMBL1863131 | DNDI1490391) Show SMILES CS(=O)(=O)N1CCN(CC1)C(c1cncnc1)c1ccc(cc1F)C(F)(F)F Show InChI InChI=1S/C17H18F4N4O2S/c1-28(26,27)25-6-4-24(5-7-25)16(12-9-22-11-23-10-12)14-3-2-13(8-15(14)18)17(19,20)21/h2-3,8-11,16H,4-7H2,1H3	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Epichem Pty Ltd Curated by ChEMBL					Assay Description Inhibition of CYP3A4/5 in human liver microsomes assessed as reduction in testosterone-beta-hydroxylation				Bioorg Med Chem 21: 1756-63 (2013) Article DOI: 10.1016/j.bmc.2013.01.050 BindingDB Entry DOI: 10.7270/Q2WH2SWS
					More data for this Ligand-Target Pair
Cytochrome P450 3A4/3A5 (Homo sapiens (Human))	BDBM50490747 (CHEMBL1863090 | DNDI1449876) Show SMILES CC(C)(C)NC(=O)N1CCN(CC1)C(c1cncnc1)c1ccc(Cl)cc1F Show InChI InChI=1S/C20H25ClFN5O/c1-20(2,3)25-19(28)27-8-6-26(7-9-27)18(14-11-23-13-24-12-14)16-5-4-15(21)10-17(16)22/h4-5,10-13,18H,6-9H2,1-3H3,(H,25,28)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Epichem Pty Ltd Curated by ChEMBL					Assay Description Inhibition of CYP3A4/5 in human liver microsomes assessed as reduction in testosterone-beta-hydroxylation				Bioorg Med Chem 21: 1756-63 (2013) Article DOI: 10.1016/j.bmc.2013.01.050 BindingDB Entry DOI: 10.7270/Q2WH2SWS
					More data for this Ligand-Target Pair
Cytochrome P450 3A4/3A5 (Homo sapiens (Human))	BDBM50490740 (CHEMBL1862938 | DNDI1467767) Show SMILES CC(C)(C)C(=O)N1CCN(CC1)C(c1cncnc1)c1ccc(Cl)cc1F Show InChI InChI=1S/C20H24ClFN4O/c1-20(2,3)19(27)26-8-6-25(7-9-26)18(14-11-23-13-24-12-14)16-5-4-15(21)10-17(16)22/h4-5,10-13,18H,6-9H2,1-3H3	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Epichem Pty Ltd Curated by ChEMBL					Assay Description Inhibition of CYP3A4/5 in human liver microsomes assessed as reduction in testosterone-beta-hydroxylation				Bioorg Med Chem 21: 1756-63 (2013) Article DOI: 10.1016/j.bmc.2013.01.050 BindingDB Entry DOI: 10.7270/Q2WH2SWS
					More data for this Ligand-Target Pair
Cytochrome P450 3A4/3A5 (Homo sapiens (Human))	BDBM50490739 (CHEMBL1862975 | DNDI1335908) Show SMILES CC(=O)N1CCN(CC1)C(c1ccc(Cl)cc1)c1cccnc1 Show InChI InChI=1S/C18H20ClN3O/c1-14(23)21-9-11-22(12-10-21)18(16-3-2-8-20-13-16)15-4-6-17(19)7-5-15/h2-8,13,18H,9-12H2,1H3	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Epichem Pty Ltd Curated by ChEMBL					Assay Description Inhibition of CYP3A4/5 in human liver microsomes assessed as reduction in testosterone-beta-hydroxylation				Bioorg Med Chem 21: 1756-63 (2013) Article DOI: 10.1016/j.bmc.2013.01.050 BindingDB Entry DOI: 10.7270/Q2WH2SWS
					More data for this Ligand-Target Pair
Cytochrome P450 3A4/3A5 (Homo sapiens (Human))	BDBM50485472 (CHEMBL1863379 | DNDI1330083) Show SMILES OC(c1ccc(cc1)C#N)(c1ccc(cc1)C(F)(F)F)c1cccnc1 Show InChI InChI=1S/C20H13F3N2O/c21-20(22,23)17-9-7-16(8-10-17)19(26,18-2-1-11-25-13-18)15-5-3-14(12-24)4-6-15/h1-11,13,26H	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Epichem Pty Ltd Curated by ChEMBL					Assay Description Inhibition of CYP3A4/5 in human liver microsomes				J Med Chem 55: 4189-204 (2012) Article DOI: 10.1021/jm2015809 BindingDB Entry DOI: 10.7270/Q2TX3J6T
					More data for this Ligand-Target Pair
Cytochrome P450 3A4/3A5 (Homo sapiens (Human))	BDBM50538344 (CHEMBL4633246) Show SMILES Cc1c(Cc2ccc(nc2)C(F)(F)F)c[nH]c1C(=O)NC1CC1 Show InChI InChI=1S/C16H16F3N3O/c1-9-11(8-21-14(9)15(23)22-12-3-4-12)6-10-2-5-13(20-7-10)16(17,18)19/h2,5,7-8,12,21H,3-4,6H2,1H3,(H,22,23)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Washington Curated by ChEMBL					Assay Description Inhibition of CYP3A4/5 in human liver microsomes using midazolam as substrate preincubated for 30 mins followed by substrate addition and measured af...				J Med Chem 63: 4929-4956 (2020) Article DOI: 10.1021/acs.jmedchem.0c00311 BindingDB Entry DOI: 10.7270/Q2M90D6Z
					More data for this Ligand-Target Pair
Cytochrome P450 3A4/3A5 (Homo sapiens (Human))	BDBM50538344 (CHEMBL4633246) Show SMILES Cc1c(Cc2ccc(nc2)C(F)(F)F)c[nH]c1C(=O)NC1CC1 Show InChI InChI=1S/C16H16F3N3O/c1-9-11(8-21-14(9)15(23)22-12-3-4-12)6-10-2-5-13(20-7-10)16(17,18)19/h2,5,7-8,12,21H,3-4,6H2,1H3,(H,22,23)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Washington Curated by ChEMBL					Assay Description Inhibition of CYP3A4/5 in human liver microsomes using testosterone as substrate preincubated for 30 mins followed by substrate addition and measured...				J Med Chem 63: 4929-4956 (2020) Article DOI: 10.1021/acs.jmedchem.0c00311 BindingDB Entry DOI: 10.7270/Q2M90D6Z
					More data for this Ligand-Target Pair
Cytochrome P450 3A4/3A5 (Homo sapiens (Human))	BDBM50538344 (CHEMBL4633246) Show SMILES Cc1c(Cc2ccc(nc2)C(F)(F)F)c[nH]c1C(=O)NC1CC1 Show InChI InChI=1S/C16H16F3N3O/c1-9-11(8-21-14(9)15(23)22-12-3-4-12)6-10-2-5-13(20-7-10)16(17,18)19/h2,5,7-8,12,21H,3-4,6H2,1H3,(H,22,23)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Washington Curated by ChEMBL					Assay Description Inhibition of CYP3A4/5 in human liver microsomes using midazolam as substrate measured for 10 to 30 mins in presence of NADPH regenerating system by ...				J Med Chem 63: 4929-4956 (2020) Article DOI: 10.1021/acs.jmedchem.0c00311 BindingDB Entry DOI: 10.7270/Q2M90D6Z
					More data for this Ligand-Target Pair
Cytochrome P450 3A4/3A5 (Homo sapiens (Human))	BDBM50538344 (CHEMBL4633246) Show SMILES Cc1c(Cc2ccc(nc2)C(F)(F)F)c[nH]c1C(=O)NC1CC1 Show InChI InChI=1S/C16H16F3N3O/c1-9-11(8-21-14(9)15(23)22-12-3-4-12)6-10-2-5-13(20-7-10)16(17,18)19/h2,5,7-8,12,21H,3-4,6H2,1H3,(H,22,23)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Washington Curated by ChEMBL					Assay Description Inhibition of CYP3A4/5 in human liver microsomes using testosterone as substrate measured for 10 to 30 mins in presence of NADPH regenerating system ...				J Med Chem 63: 4929-4956 (2020) Article DOI: 10.1021/acs.jmedchem.0c00311 BindingDB Entry DOI: 10.7270/Q2M90D6Z
					More data for this Ligand-Target Pair
Cytochrome P450 3A4/3A5 (Homo sapiens (Human))	BDBM50490734 (CHEMBL1863136 | DNDI1402165) Show SMILES COc1ccccc1N1CCN(CC1)C(c1ccc(cc1)C(F)(F)F)c1cnccn1 Show InChI InChI=1S/C23H23F3N4O/c1-31-21-5-3-2-4-20(21)29-12-14-30(15-13-29)22(19-16-27-10-11-28-19)17-6-8-18(9-7-17)23(24,25)26/h2-11,16,22H,12-15H2,1H3	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Epichem Pty Ltd Curated by ChEMBL					Assay Description Inhibition of CYP3A4/5 in human liver microsomes assessed as reduction in testosterone-beta-hydroxylation				Bioorg Med Chem 21: 1756-63 (2013) Article DOI: 10.1016/j.bmc.2013.01.050 BindingDB Entry DOI: 10.7270/Q2WH2SWS
					More data for this Ligand-Target Pair
Cytochrome P450 3A4/3A5 (Homo sapiens (Human))	BDBM50305083 (3-((3S,6S)-6-Isobutyl-9-methoxy-1,4-dioxo-1,2,3,4,...) Show SMILES COc1ccc2c3C[C@@H]4N([C@@H](CC(C)C)c3[nH]c2c1)C(=O)[C@H](CCC(=O)OC(C)(C)C)NC4=O |r| Show InChI InChI=1S/C26H35N3O5/c1-14(2)11-20-23-17(16-8-7-15(33-6)12-19(16)27-23)13-21-24(31)28-18(25(32)29(20)21)9-10-22(30)34-26(3,4)5/h7-8,12,14,18,20-21,27H,9-11,13H2,1-6H3,(H,28,31)/t18-,20-,21-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	US Patent	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	7.4	37
Millennium Pharmaceuticals, Inc. US Patent					Assay Description Human liver microsomes (HLMs) (0.3 mg/mL in 0.1-M potassium phosphate buffer, pH 7.4) are incubated with CYP (cytochromes P450) isozyme-selective sub...				US Patent US9695174 (2017) BindingDB Entry DOI: 10.7270/Q2DN436B
					More data for this Ligand-Target Pair
Cytochrome P450 3A4/3A5 (Homo sapiens (Human))	BDBM106203 (US9695174, I-1) Show SMILES COc1ccc2c3C[C@@H]4N([C@@H](CC(C)C)c3[nH]c2c1)C(=O)[C@H](C)NC4=O |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	US Patent	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	7.4	37
Millennium Pharmaceuticals, Inc. US Patent					Assay Description Human liver microsomes (HLMs) (0.3 mg/mL in 0.1-M potassium phosphate buffer, pH 7.4) are incubated with CYP (cytochromes P450) isozyme-selective sub...				US Patent US9695174 (2017) BindingDB Entry DOI: 10.7270/Q2DN436B
					More data for this Ligand-Target Pair
Cytochrome P450 3A4/3A5 (Homo sapiens (Human))	BDBM276748 (US10071992, Example 3.5 | US10071992, Example 5 | ...) Show SMILES CCOc1cccnc1Oc1cncc(c1)-c1ncc(cn1)C(=O)NC(C)(C)CO Show InChI InChI=1S/C21H23N5O4/c1-4-29-17-6-5-7-23-20(17)30-16-8-14(9-22-12-16)18-24-10-15(11-25-18)19(28)26-21(2,3)13-27/h5-12,27H,4,13H2,1-3H3,(H,26,28)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c01200 BindingDB Entry DOI: 10.7270/Q23N27CP
					More data for this Ligand-Target Pair
Cytochrome P450 3A4/3A5 (Homo sapiens (Human))	BDBM50491625 (CHEMBL2386153) Show SMILES FC(F)(F)C1(CC1)c1ccc(cc1)-c1ccc(cn1)C#N Show InChI InChI=1S/C16H11F3N2/c17-16(18,19)15(7-8-15)13-4-2-12(3-5-13)14-6-1-11(9-20)10-21-14/h1-6,10H,7-8H2	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Reversible inhibition of CYP3A4/5 in human liver microsomes using midazolam as substrate preincubated for 30 mins followed by NADPH and substrate add...				ACS Med Chem Lett 4: 514-6 (2013) Article DOI: 10.1021/ml400045j BindingDB Entry DOI: 10.7270/Q2D50QWD
					More data for this Ligand-Target Pair
Cytochrome P450 3A4/3A5 (Homo sapiens (Human))	BDBM50491622 (CHEMBL2386156) Show SMILES FC(F)(F)c1ccc(NC(=O)c2ccc(cc2)C2(CC2)C(F)(F)F)cn1 Show InChI InChI=1S/C17H12F6N2O/c18-16(19,20)13-6-5-12(9-24-13)25-14(26)10-1-3-11(4-2-10)15(7-8-15)17(21,22)23/h1-6,9H,7-8H2,(H,25,26)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Reversible inhibition of CYP3A4/5 in human liver microsomes using midazolam as substrate preincubated for 30 mins followed by NADPH and substrate add...				ACS Med Chem Lett 4: 514-6 (2013) Article DOI: 10.1021/ml400045j BindingDB Entry DOI: 10.7270/Q2D50QWD
					More data for this Ligand-Target Pair
Cytochrome P450 3A4/3A5 (Homo sapiens (Human))	BDBM50491626 (CHEMBL2386155) Show SMILES CC(C)(C)c1ccc(cc1)C(=O)Nc1ccc(nc1)C(F)(F)F Show InChI InChI=1S/C17H17F3N2O/c1-16(2,3)12-6-4-11(5-7-12)15(23)22-13-8-9-14(21-10-13)17(18,19)20/h4-10H,1-3H3,(H,22,23)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Reversible inhibition of CYP3A4/5 in human liver microsomes using midazolam as substrate preincubated for 30 mins followed by NADPH and substrate add...				ACS Med Chem Lett 4: 514-6 (2013) Article DOI: 10.1021/ml400045j BindingDB Entry DOI: 10.7270/Q2D50QWD
					More data for this Ligand-Target Pair
Cytochrome P450 3A4/3A5 (Homo sapiens (Human))	BDBM50568682 (CHEMBL4861470) Show SMILES COc1cc(\C=C\c2nc(NCc3ccc(C)cc3)c3sccc3n2)cc(OC)c1OC Show InChI	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of CYP3A4/5 in human liver microsomes using Midazolam as substrate measured after 20 mins by LC-MS/MS analysis				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113174 BindingDB Entry DOI: 10.7270/Q26M3BM1
					More data for this Ligand-Target Pair
Cytochrome P450 3A4/3A5 (Homo sapiens (Human))	BDBM50272591 (CHEMBL4128835) Show SMILES Cl.Cl.C[C@@H](N[C@H]1CCN(C1)c1ccc(CC(O)=O)cc1)c1cccc2ccccc12 |r| Show InChI InChI=1S/C24H26N2O2.2ClH/c1-17(22-8-4-6-19-5-2-3-7-23(19)22)25-20-13-14-26(16-20)21-11-9-18(10-12-21)15-24(27)28;;/h2-12,17,20,25H,13-16H2,1H3,(H,27,28);2*1H/t17-,20+;;/m1../s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Mitsubishi Tanabe Pharma Corporation Curated by ChEMBL					Assay Description Inhibition of CYP3A4/5 (unknown origin)				Bioorg Med Chem Lett 28: 2055-2060 (2018) Article DOI: 10.1016/j.bmcl.2018.04.055 BindingDB Entry DOI: 10.7270/Q2DF6TP0
					More data for this Ligand-Target Pair
Cytochrome P450 3A4/3A5 (Homo sapiens (Human))	BDBM50491620 (CHEMBL2386141) Show SMILES Fc1ccc(nc1)-c1ccc(cc1)C1(CC1)C(F)(F)F Show InChI InChI=1S/C15H11F4N/c16-12-5-6-13(20-9-12)10-1-3-11(4-2-10)14(7-8-14)15(17,18)19/h1-6,9H,7-8H2	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Reversible inhibition of CYP3A4/5 in human liver microsomes using midazolam as substrate preincubated for 30 mins followed by NADPH and substrate add...				ACS Med Chem Lett 4: 514-6 (2013) Article DOI: 10.1021/ml400045j BindingDB Entry DOI: 10.7270/Q2D50QWD
					More data for this Ligand-Target Pair
Cytochrome P450 3A4/3A5 (Homo sapiens (Human))	BDBM50491624 (CHEMBL2386149) Show SMILES CC1(COC1)c1ccc(cc1)-c1ccc(cn1)C#N Show InChI InChI=1S/C16H14N2O/c1-16(10-19-11-16)14-5-3-13(4-6-14)15-7-2-12(8-17)9-18-15/h2-7,9H,10-11H2,1H3	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Reversible inhibition of CYP3A4/5 in human liver microsomes using midazolam as substrate preincubated for 30 mins followed by NADPH and substrate add...				ACS Med Chem Lett 4: 514-6 (2013) Article DOI: 10.1021/ml400045j BindingDB Entry DOI: 10.7270/Q2D50QWD
					More data for this Ligand-Target Pair
Cytochrome P450 3A4/3A5 (Homo sapiens (Human))	BDBM50491623 (CHEMBL2386150) Show SMILES CC(C)c1ccc(cc1)-c1ccc(cn1)C#N Show InChI InChI=1S/C15H14N2/c1-11(2)13-4-6-14(7-5-13)15-8-3-12(9-16)10-17-15/h3-8,10-11H,1-2H3	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Reversible inhibition of CYP3A4/5 in human liver microsomes using midazolam as substrate preincubated for 30 mins followed by NADPH and substrate add...				ACS Med Chem Lett 4: 514-6 (2013) Article DOI: 10.1021/ml400045j BindingDB Entry DOI: 10.7270/Q2D50QWD
					More data for this Ligand-Target Pair

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