Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Cytochrome P450 3A4' and Ligand = 'BDBM50393735'   

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))	BDBM50393735 (CHEMBL2159132) Show SMILES CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H]3[C@H]2O\C(=N/C(C)C)N3C)[C@](C)(O)C[C@@H](C)CN(C)[C@H](C)[C@@H](O)[C@]1(C)O |r| Show InChI InChI=1S/C41H75N3O12/c1-16-29-41(12,49)33(45)26(8)43(13)20-22(4)18-39(10,48)35(56-37-32-28(17-23(5)51-37)44(14)38(55-32)42-21(2)3)24(6)31(25(7)36(47)53-29)54-30-19-40(11,50-15)34(46)27(9)52-30/h21-35,37,45-46,48-49H,16-20H2,1-15H3/b42-38-/t22-,23-,24+,25-,26-,27+,28+,29-,30+,31+,32-,33-,34+,35-,37+,39-,40-,41-/m1/s1	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	7.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research Centre Zagreb Curated by ChEMBL					Assay Description Inhibition of human recombinant CYP3A4 using DEF as substrate preincubated for 5 to 10 mins before substrate addition				J Med Chem 55: 6111-23 (2012) Article DOI: 10.1021/jm300356u BindingDB Entry DOI: 10.7270/Q29G5NX3
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50393735 (CHEMBL2159132) Show SMILES CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H]3[C@H]2O\C(=N/C(C)C)N3C)[C@](C)(O)C[C@@H](C)CN(C)[C@H](C)[C@@H](O)[C@]1(C)O |r| Show InChI InChI=1S/C41H75N3O12/c1-16-29-41(12,49)33(45)26(8)43(13)20-22(4)18-39(10,48)35(56-37-32-28(17-23(5)51-37)44(14)38(55-32)42-21(2)3)24(6)31(25(7)36(47)53-29)54-30-19-40(11,50-15)34(46)27(9)52-30/h21-35,37,45-46,48-49H,16-20H2,1-15H3/b42-38-/t22-,23-,24+,25-,26-,27+,28+,29-,30+,31+,32-,33-,34+,35-,37+,39-,40-,41-/m1/s1	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	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research Centre Zagreb Curated by ChEMBL					Assay Description Inhibition of human recombinant CYP3A4 using 7-BQ as substrate preincubated for 5 to 10 mins before substrate addition				J Med Chem 55: 6111-23 (2012) Article DOI: 10.1021/jm300356u BindingDB Entry DOI: 10.7270/Q29G5NX3
					More data for this Ligand-Target Pair