Compile Data Set for Download or QSAR

Found 69 hits with Last Name = 'alexander' and Initial = 'pw'   

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))	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))	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))	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))	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))	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))	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))	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))	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))	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))	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))	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))	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))	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))	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))	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))	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 (Homo sapiens (Human))	BDBM50495154 (CHEMBL3104490) Show SMILES CS(=O)(=O)c1ccc(cc1)N1CCN(CC1)C(=O)C(c1ccc(Cl)cc1)c1cccnc1 Show InChI InChI=1S/C24H24ClN3O3S/c1-32(30,31)22-10-8-21(9-11-22)27-13-15-28(16-14-27)24(29)23(19-3-2-12-26-17-19)18-4-6-20(25)7-5-18/h2-12,17,23H,13-16H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Epichem Pty Ltd. Curated by ChEMBL					Assay Description Inhibition of CYP3A4 in human liver microsomes assessed as 6beta-hydroxylation of testosterone				J Med Chem 56: 10158-70 (2013) Article DOI: 10.1021/jm401610c BindingDB Entry DOI: 10.7270/Q2VH5RT9
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM213823 (EPL-BS1246 (UDO)) Show SMILES FC(F)(F)c1ccc(cc1)N1CCN(CC1)C(=O)[C@@H](c1ccc(Cl)cc1)c1cccnc1 |r| Show InChI InChI=1S/C24H21ClF3N3O/c25-20-7-3-17(4-8-20)22(18-2-1-11-29-16-18)23(32)31-14-12-30(13-15-31)21-9-5-19(6-10-21)24(26,27)28/h1-11,16,22H,12-15H2/t22-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	4.00E+3	n/a	n/a	n/a	n/a	n/a	37
Vanderbilt University					Assay Description Inhibition of hepatic cytochromes P450 was assessed in human liver microsomes using a substrate-specific approach of monitoring metabolites formed by...				J Biol Chem 288: 31602-15 (2013) Article DOI: 10.1074/jbc.M113.497990 BindingDB Entry DOI: 10.7270/Q24F1PKM
					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 (Homo sapiens (Human))	BDBM50495150 (CHEMBL3104537) Show SMILES FC(F)(F)c1ccc(cc1)N(C1CCN(CC1)c1ccccc1C#N)c1cccnc1 Show InChI InChI=1S/C24H21F3N4/c25-24(26,27)19-7-9-20(10-8-19)31(22-5-3-13-29-17-22)21-11-14-30(15-12-21)23-6-2-1-4-18(23)16-28/h1-10,13,17,21H,11-12,14-15H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Epichem Pty Ltd. Curated by ChEMBL					Assay Description Inhibition of CYP3A4 in human liver microsomes assessed as 6beta-hydroxylation of testosterone				J Med Chem 56: 10158-70 (2013) Article DOI: 10.1021/jm401610c BindingDB Entry DOI: 10.7270/Q2VH5RT9
					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 (Homo sapiens (Human))	BDBM50495148 (CHEMBL3104479) Show SMILES FC(F)(F)c1ccc(cc1)N(C1CCN(CC1)c1ccc(cn1)C(F)(F)F)c1cncnc1 Show InChI InChI=1S/C22H19F6N5/c23-21(24,25)15-1-4-17(5-2-15)33(19-12-29-14-30-13-19)18-7-9-32(10-8-18)20-6-3-16(11-31-20)22(26,27)28/h1-6,11-14,18H,7-10H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Epichem Pty Ltd. Curated by ChEMBL					Assay Description Inhibition of CYP3A4 in human liver microsomes assessed as 6beta-hydroxylation of testosterone				J Med Chem 56: 10158-70 (2013) Article DOI: 10.1021/jm401610c BindingDB Entry DOI: 10.7270/Q2VH5RT9
					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 (Homo sapiens (Human))	BDBM50495146 (CHEMBL3104488) Show SMILES FC(F)(F)c1ccc(nc1)N1CCN(CC1)C(=O)C(c1ccc(Cl)cc1)c1cccnc1 Show InChI InChI=1S/C23H20ClF3N4O/c24-19-6-3-16(4-7-19)21(17-2-1-9-28-14-17)22(32)31-12-10-30(11-13-31)20-8-5-18(15-29-20)23(25,26)27/h1-9,14-15,21H,10-13H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank 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 in human liver microsomes assessed as 6beta-hydroxylation of testosterone				J Med Chem 56: 10158-70 (2013) Article DOI: 10.1021/jm401610c BindingDB Entry DOI: 10.7270/Q2VH5RT9
					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 2C9 (Homo sapiens (Human))	BDBM213822 (EPL-BS0967 (UDD)) Show SMILES FC(F)(F)c1ccc(cc1)N(C1CCN(CC1)c1ccc(cn1)C(F)(F)F)c1cccnc1 Show InChI InChI=1S/C23H20F6N4/c24-22(25,26)16-3-6-18(7-4-16)33(20-2-1-11-30-15-20)19-9-12-32(13-10-19)21-8-5-17(14-31-21)23(27,28)29/h1-8,11,14-15,19H,9-10,12-13H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	8.10E+3	n/a	n/a	n/a	n/a	n/a	37
Vanderbilt University					Assay Description Inhibition of hepatic cytochromes P450 was assessed in human liver microsomes using a substrate-specific approach of monitoring metabolites formed by...				J Biol Chem 288: 31602-15 (2013) Article DOI: 10.1074/jbc.M113.497990 BindingDB Entry DOI: 10.7270/Q24F1PKM
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM213823 (EPL-BS1246 (UDO)) Show SMILES FC(F)(F)c1ccc(cc1)N1CCN(CC1)C(=O)[C@@H](c1ccc(Cl)cc1)c1cccnc1 |r| Show InChI InChI=1S/C24H21ClF3N3O/c25-20-7-3-17(4-8-20)22(18-2-1-11-29-16-18)23(32)31-14-12-30(13-15-31)21-9-5-19(6-10-21)24(26,27)28/h1-11,16,22H,12-15H2/t22-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	9.00E+3	n/a	n/a	n/a	n/a	n/a	37
Vanderbilt University					Assay Description Inhibition of hepatic cytochromes P450 was assessed in human liver microsomes using a substrate-specific approach of monitoring metabolites formed by...				J Biol Chem 288: 31602-15 (2013) Article DOI: 10.1074/jbc.M113.497990 BindingDB Entry DOI: 10.7270/Q24F1PKM
					More data for this Ligand-Target Pair
Cytochrome P450 2C19 (Homo sapiens (Human))	BDBM213822 (EPL-BS0967 (UDD)) Show SMILES FC(F)(F)c1ccc(cc1)N(C1CCN(CC1)c1ccc(cn1)C(F)(F)F)c1cccnc1 Show InChI InChI=1S/C23H20F6N4/c24-22(25,26)16-3-6-18(7-4-16)33(20-2-1-11-30-15-20)19-9-12-32(13-10-19)21-8-5-17(14-31-21)23(27,28)29/h1-8,11,14-15,19H,9-10,12-13H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	9.80E+3	n/a	n/a	n/a	n/a	n/a	37
Vanderbilt University					Assay Description Inhibition of hepatic cytochromes P450 was assessed in human liver microsomes using a substrate-specific approach of monitoring metabolites formed by...				J Biol Chem 288: 31602-15 (2013) Article DOI: 10.1074/jbc.M113.497990 BindingDB Entry DOI: 10.7270/Q24F1PKM
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50495149 (CHEMBL3104478) Show SMILES CS(=O)(=O)c1ccc(cc1)N1CCC(CC1)N(c1ccc(cc1)C#N)c1cccnc1 Show InChI InChI=1S/C24H24N4O2S/c1-31(29,30)24-10-8-20(9-11-24)27-15-12-22(13-16-27)28(23-3-2-14-26-18-23)21-6-4-19(17-25)5-7-21/h2-11,14,18,22H,12-13,15-16H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
Epichem Pty Ltd. Curated by ChEMBL					Assay Description Inhibition of CYP3A4 in human liver microsomes assessed as 6beta-hydroxylation of testosterone				J Med Chem 56: 10158-70 (2013) Article DOI: 10.1021/jm401610c BindingDB Entry DOI: 10.7270/Q2VH5RT9
					More data for this Ligand-Target Pair
Cytochrome P450 2C19 (Homo sapiens (Human))	BDBM213823 (EPL-BS1246 (UDO)) Show SMILES FC(F)(F)c1ccc(cc1)N1CCN(CC1)C(=O)[C@@H](c1ccc(Cl)cc1)c1cccnc1 |r| Show InChI InChI=1S/C24H21ClF3N3O/c25-20-7-3-17(4-8-20)22(18-2-1-11-29-16-18)23(32)31-14-12-30(13-15-31)21-9-5-19(6-10-21)24(26,27)28/h1-11,16,22H,12-15H2/t22-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	1.20E+4	n/a	n/a	n/a	n/a	n/a	37
Vanderbilt University					Assay Description Inhibition of hepatic cytochromes P450 was assessed in human liver microsomes using a substrate-specific approach of monitoring metabolites formed by...				J Biol Chem 288: 31602-15 (2013) Article DOI: 10.1074/jbc.M113.497990 BindingDB Entry DOI: 10.7270/Q24F1PKM
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM213823 (EPL-BS1246 (UDO)) Show SMILES FC(F)(F)c1ccc(cc1)N1CCN(CC1)C(=O)[C@@H](c1ccc(Cl)cc1)c1cccnc1 |r| Show InChI InChI=1S/C24H21ClF3N3O/c25-20-7-3-17(4-8-20)22(18-2-1-11-29-16-18)23(32)31-14-12-30(13-15-31)21-9-5-19(6-10-21)24(26,27)28/h1-11,16,22H,12-15H2/t22-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	1.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Epichem Pty Ltd. Curated by ChEMBL					Assay Description Inhibition of CYP3A4 in human liver microsomes assessed as 6beta-hydroxylation of testosterone				J Med Chem 56: 10158-70 (2013) Article DOI: 10.1021/jm401610c BindingDB Entry DOI: 10.7270/Q2VH5RT9
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50495142 (CHEMBL3104473) Show SMILES FC(F)(F)c1ccc(cc1)N(C1CCN(CC1)c1ccc(nc1)C(F)(F)F)c1cccnc1 Show InChI InChI=1S/C23H20F6N4/c24-22(25,26)16-3-5-17(6-4-16)33(20-2-1-11-30-14-20)18-9-12-32(13-10-18)19-7-8-21(31-15-19)23(27,28)29/h1-8,11,14-15,18H,9-10,12-13H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.60E+4	n/a	n/a	n/a	n/a	n/a	n/a
Epichem Pty Ltd. Curated by ChEMBL					Assay Description Inhibition of CYP3A4 in human liver microsomes assessed as 6beta-hydroxylation of testosterone				J Med Chem 56: 10158-70 (2013) Article DOI: 10.1021/jm401610c BindingDB Entry DOI: 10.7270/Q2VH5RT9
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50495156 (CHEMBL3104376) Show SMILES FC(F)(F)c1ccc(cc1)N1CCN(CC1)C(=O)C(c1ccc(Cl)cc1)c1cccnc1 Show InChI InChI=1S/C24H21ClF3N3O/c25-20-7-3-17(4-8-20)22(18-2-1-11-29-16-18)23(32)31-14-12-30(13-15-31)21-9-5-19(6-10-21)24(26,27)28/h1-11,16,22H,12-15H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.60E+4	n/a	n/a	n/a	n/a	n/a	n/a
Epichem Pty Ltd. Curated by ChEMBL					Assay Description Inhibition of CYP3A4 in human liver microsomes assessed as 6beta-hydroxylation of testosterone				J Med Chem 56: 10158-70 (2013) Article DOI: 10.1021/jm401610c BindingDB Entry DOI: 10.7270/Q2VH5RT9
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50495152 (CHEMBL3104525) Show SMILES FC(F)(F)c1ccc(cc1)N1CCN(CC1)C(=O)[C@H](c1ccc(Cl)cc1)c1cccnc1 |r| Show InChI InChI=1S/C24H21ClF3N3O/c25-20-7-3-17(4-8-20)22(18-2-1-11-29-16-18)23(32)31-14-12-30(13-15-31)21-9-5-19(6-10-21)24(26,27)28/h1-11,16,22H,12-15H2/t22-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.70E+4	n/a	n/a	n/a	n/a	n/a	n/a
Epichem Pty Ltd. Curated by ChEMBL					Assay Description Inhibition of CYP3A4 in human liver microsomes assessed as 6beta-hydroxylation of testosterone				J Med Chem 56: 10158-70 (2013) Article DOI: 10.1021/jm401610c BindingDB Entry DOI: 10.7270/Q2VH5RT9
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50495151 (CHEMBL3104534) Show SMILES Cc1ccccc1CN1CCC(CC1)N(c1ccc(cc1)C(F)(F)F)c1cccnc1 Show InChI InChI=1S/C25H26F3N3/c1-19-5-2-3-6-20(19)18-30-15-12-23(13-16-30)31(24-7-4-14-29-17-24)22-10-8-21(9-11-22)25(26,27)28/h2-11,14,17,23H,12-13,15-16,18H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.80E+4	n/a	n/a	n/a	n/a	n/a	n/a
Epichem Pty Ltd. Curated by ChEMBL					Assay Description Inhibition of CYP3A4 in human liver microsomes assessed as 6beta-hydroxylation of testosterone				J Med Chem 56: 10158-70 (2013) Article DOI: 10.1021/jm401610c BindingDB Entry DOI: 10.7270/Q2VH5RT9
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM213822 (EPL-BS0967 (UDD)) Show SMILES FC(F)(F)c1ccc(cc1)N(C1CCN(CC1)c1ccc(cn1)C(F)(F)F)c1cccnc1 Show InChI InChI=1S/C23H20F6N4/c24-22(25,26)16-3-6-18(7-4-16)33(20-2-1-11-30-15-20)19-9-12-32(13-10-19)21-8-5-17(14-31-21)23(27,28)29/h1-8,11,14-15,19H,9-10,12-13H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	2.00E+4	n/a	n/a	n/a	n/a	n/a	37
Vanderbilt University					Assay Description Inhibition of hepatic cytochromes P450 was assessed in human liver microsomes using a substrate-specific approach of monitoring metabolites formed by...				J Biol Chem 288: 31602-15 (2013) Article DOI: 10.1074/jbc.M113.497990 BindingDB Entry DOI: 10.7270/Q24F1PKM
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM213822 (EPL-BS0967 (UDD)) Show SMILES FC(F)(F)c1ccc(cc1)N(C1CCN(CC1)c1ccc(cn1)C(F)(F)F)c1cccnc1 Show InChI InChI=1S/C23H20F6N4/c24-22(25,26)16-3-6-18(7-4-16)33(20-2-1-11-30-15-20)19-9-12-32(13-10-19)21-8-5-17(14-31-21)23(27,28)29/h1-8,11,14-15,19H,9-10,12-13H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	n/a	37
Vanderbilt University					Assay Description Inhibition of hepatic cytochromes P450 was assessed in human liver microsomes using a substrate-specific approach of monitoring metabolites formed by...				J Biol Chem 288: 31602-15 (2013) Article DOI: 10.1074/jbc.M113.497990 BindingDB Entry DOI: 10.7270/Q24F1PKM
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM213823 (EPL-BS1246 (UDO)) Show SMILES FC(F)(F)c1ccc(cc1)N1CCN(CC1)C(=O)[C@@H](c1ccc(Cl)cc1)c1cccnc1 |r| Show InChI InChI=1S/C24H21ClF3N3O/c25-20-7-3-17(4-8-20)22(18-2-1-11-29-16-18)23(32)31-14-12-30(13-15-31)21-9-5-19(6-10-21)24(26,27)28/h1-11,16,22H,12-15H2/t22-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	2.00E+4	n/a	n/a	n/a	n/a	n/a	37
Vanderbilt University					Assay Description Inhibition of hepatic cytochromes P450 was assessed in human liver microsomes using a substrate-specific approach of monitoring metabolites formed by...				J Biol Chem 288: 31602-15 (2013) Article DOI: 10.1074/jbc.M113.497990 BindingDB Entry DOI: 10.7270/Q24F1PKM
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50495155 (CHEMBL3104472) Show SMILES FC(F)(F)c1ccc(cc1)N(C1CCN(CC1)c1ccc(Cl)cc1)c1cccnc1 Show InChI InChI=1S/C23H21ClF3N3/c24-18-5-9-19(10-6-18)29-14-11-21(12-15-29)30(22-2-1-13-28-16-22)20-7-3-17(4-8-20)23(25,26)27/h1-10,13,16,21H,11-12,14-15H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	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
Epichem Pty Ltd. Curated by ChEMBL					Assay Description Inhibition of CYP3A4 in human liver microsomes assessed as 6beta-hydroxylation of testosterone				J Med Chem 56: 10158-70 (2013) Article DOI: 10.1021/jm401610c BindingDB Entry DOI: 10.7270/Q2VH5RT9
					More data for this Ligand-Target Pair

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