Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Bifunctional cytochrome P450/NADPH--P450 reductase [A82F,F87V]'   

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
Bifunctional cytochrome P450/NADPH--P450 reductase [A82F,F87V] (Bacillus megaterium)	BDBM50241343 ((RS)-6-methoxy-2-((4-methoxy-3,5-dimethylpyridin-2...) Show SMILES COc1ccc2nc([nH]c2c1)S(=O)Cc1ncc(C)c(OC)c1C Show InChI InChI=1S/C17H19N3O3S/c1-10-8-18-15(11(2)16(10)23-4)9-24(21)17-19-13-6-5-12(22-3)7-14(13)20-17/h5-8H,9H2,1-4H3,(H,19,20)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	212	n/a	n/a	n/a	7.0	n/a
University of Manchester					Assay Description Dissociation constants (Kd values) for binding of the substrates N-palmitoylglycine (NPG) and omeprazole (OMP) to WT and mutant BM3 heme domains were...				J Biol Chem 288: 25387-99 (2013) Article DOI: 10.1074/jbc.M113.479717 BindingDB Entry DOI: 10.7270/Q2SB44MF
					More data for this Ligand-Target Pair
Bifunctional cytochrome P450/NADPH--P450 reductase [A82F,F87V] (Bacillus megaterium)	BDBM212439 (N-palmitoylglycine (NPG)) Show SMILES CCCCCCCCCCCCCCCC(=O)NCC(O)=O Show InChI InChI=1S/C18H35NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-17(20)19-16-18(21)22/h2-16H2,1H3,(H,19,20)(H,21,22)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	n/a	4	n/a	n/a	n/a	7.0	n/a
University of Manchester					Assay Description Dissociation constants (Kd values) for binding of the substrates N-palmitoylglycine (NPG) and omeprazole (OMP) to WT and mutant BM3 heme domains were...				J Biol Chem 288: 25387-99 (2013) Article DOI: 10.1074/jbc.M113.479717 BindingDB Entry DOI: 10.7270/Q2SB44MF
					More data for this Ligand-Target Pair				3D Structure (crystal)