Compile Data Set for Download or QSAR

Found 4 hits of ic50 for UniProtKB: P08684   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Cytochrome P450 3A4/3A43/3A5/3A7 (Homo sapiens (Human))	BDBM50464556 (CHEMBL4289811 | US10464907, Compound 21f | US10889...) Show SMILES CCCNC(=O)c1ccc(CN(C)C(=O)c2cc(C(C)C)c(O)cc2O)cc1 Show InChI InChI=1S/C22H28N2O4/c1-5-10-23-21(27)16-8-6-15(7-9-16)13-24(4)22(28)18-11-17(14(2)3)19(25)12-20(18)26/h6-9,11-12,14,25-26H,5,10,13H2,1-4H3,(H,23,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.59E+4	n/a	n/a	n/a	n/a	n/a	n/a
Keimyung University Curated by ChEMBL					Assay Description Inhibition of CYP3A in human pooled human liver microsomes using midazolam as substrate assessed as midazolam 1'-hydroxylation preincubated for 5 min...				Eur J Med Chem 143: 390-401 (2018) Article DOI: 10.1016/j.ejmech.2017.11.054 BindingDB Entry DOI: 10.7270/Q29C713M
					More data for this Ligand-Target Pair
Cytochrome P450 3A4/3A43/3A5/3A7 (Homo sapiens (Human))	BDBM50508419 (CHEMBL4471264) Show SMILES Cl.O=C1c2ccccc2C(=O)c2c(cccc12)-c1cnn(c1)C1CCNCC1 Show InChI InChI=1S/C22H19N3O2/c26-21-17-4-1-2-5-18(17)22(27)20-16(6-3-7-19(20)21)14-12-24-25(13-14)15-8-10-23-11-9-15/h1-7,12-13,15,23H,8-11H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.66E+4	n/a	n/a	n/a	n/a	n/a	n/a
Gwangju Institute of Science and Technology Curated by ChEMBL					Assay Description Inhibition of CYP3A in human liver microsomes assessed as reduction in midazolam 1'-hydroxylation by tandem mass spectrometry analysis				J Med Chem 62: 575-588 (2019) Article DOI: 10.1021/acs.jmedchem.8b01168 BindingDB Entry DOI: 10.7270/Q2QZ2F8H
					More data for this Ligand-Target Pair
Cytochrome P450 3A4/3A43/3A5/3A7 (Homo sapiens (Human))	BDBM50527104 (CHEMBL4447583) Show SMILES Cc1cc([nH]c1C(=O)N[C@@H](CN)c1ncc(CO)s1)-c1ccc(cn1)C(F)(F)F |r| Show InChI InChI=1S/C18H18F3N5O2S/c1-9-4-13(12-3-2-10(6-23-12)18(19,20)21)25-15(9)16(28)26-14(5-22)17-24-7-11(8-27)29-17/h2-4,6-7,14,25,27H,5,8,22H2,1H3,(H,26,28)/t14-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	>6.22E+4	n/a	n/a	n/a	n/a	n/a	n/a
Lindsley F. Kimball Research Institute Curated by ChEMBL					Assay Description Inhibition of CYP3A in human liver microsomes using testosterone as substrate preincubated for 5 mins followed by NADPH addition and measured for 10 ...				J Med Chem 63: 1724-1749 (2020) Article DOI: 10.1021/acs.jmedchem.9b02149 BindingDB Entry DOI: 10.7270/Q2X63RC7
					More data for this Ligand-Target Pair
Cytochrome P450 3A4/3A43/3A5/3A7 (Homo sapiens (Human))	BDBM50527104 (CHEMBL4447583) Show SMILES Cc1cc([nH]c1C(=O)N[C@@H](CN)c1ncc(CO)s1)-c1ccc(cn1)C(F)(F)F |r| Show InChI InChI=1S/C18H18F3N5O2S/c1-9-4-13(12-3-2-10(6-23-12)18(19,20)21)25-15(9)16(28)26-14(5-22)17-24-7-11(8-27)29-17/h2-4,6-7,14,25,27H,5,8,22H2,1H3,(H,26,28)/t14-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Lindsley F. Kimball Research Institute Curated by ChEMBL					Assay Description Inhibition of CYP3A in human liver microsomes using midazolam as substrate preincubated for 5 mins followed by NADPH addition and measured for 10 to ...				J Med Chem 63: 1724-1749 (2020) Article DOI: 10.1021/acs.jmedchem.9b02149 BindingDB Entry DOI: 10.7270/Q2X63RC7
					More data for this Ligand-Target Pair