Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Cytochrome P450 3A4' and Ligand = 'BDBM50265001'   

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 (Homo sapiens (Human))	BDBM50265001 (2,5-bis(4-hydroxy-3,5-diisopropylbenzylidene)cyclo...) Show SMILES CC(C)c1cc(\C=C2/CC\C(=C/c3cc(C(C)C)c(O)c(c3)C(C)C)C2=O)cc(C(C)C)c1O Show InChI InChI=1S/C31H40O3/c1-17(2)25-13-21(14-26(18(3)4)30(25)33)11-23-9-10-24(29(23)32)12-22-15-27(19(5)6)31(34)28(16-22)20(7)8/h11-20,33-34H,9-10H2,1-8H3/b23-11+,24-12+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.76E+4	n/a	n/a	n/a	n/a	n/a	n/a
Vrije Universiteit Curated by ChEMBL					Assay Description Inhibition of human recombinant CYP3A4				Eur J Med Chem 43: 1621-31 (2008) Article DOI: 10.1016/j.ejmech.2007.10.034 BindingDB Entry DOI: 10.7270/Q26D5SRW
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50265001 (2,5-bis(4-hydroxy-3,5-diisopropylbenzylidene)cyclo...) Show SMILES CC(C)c1cc(\C=C2/CC\C(=C/c3cc(C(C)C)c(O)c(c3)C(C)C)C2=O)cc(C(C)C)c1O Show InChI InChI=1S/C31H40O3/c1-17(2)25-13-21(14-26(18(3)4)30(25)33)11-23-9-10-24(29(23)32)12-22-15-27(19(5)6)31(34)28(16-22)20(7)8/h11-20,33-34H,9-10H2,1-8H3/b23-11+,24-12+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.76E+4	n/a	n/a	n/a	n/a	n/a	n/a
Vrije Universiteit Curated by ChEMBL					Assay Description Inhibition of human recombinant CYP3A4				Eur J Med Chem 43: 1621-31 (2008) Article DOI: 10.1016/j.ejmech.2007.10.034 BindingDB Entry DOI: 10.7270/Q26D5SRW
					More data for this Ligand-Target Pair