Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Cytochrome P450 2B1' and Ligand = 'BDBM50404854'   

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 2B1 (Rattus norvegicus)	BDBM50404854 (CHEMBL155867) Show SMILES CCCCCc1nc2ccccc2[nH]1 Show InChI InChI=1S/C12H16N2/c1-2-3-4-9-12-13-10-7-5-6-8-11(10)14-12/h5-8H,2-4,9H2,1H3,(H,13,14)	PDB UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	PubMed	n/a	n/a	5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of Aminopyrine N-demethylase in Phenobarbitone-treated rats				J Med Chem 25: 622-6 (1982) BindingDB Entry DOI: 10.7270/Q2474C1S
					More data for this Ligand-Target Pair
Cytochrome P450 2B1 (Rattus norvegicus)	BDBM50404854 (CHEMBL155867) Show SMILES CCCCCc1nc2ccccc2[nH]1 Show InChI InChI=1S/C12H16N2/c1-2-3-4-9-12-13-10-7-5-6-8-11(10)14-12/h5-8H,2-4,9H2,1H3,(H,13,14)	PDB UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	PubMed	n/a	n/a	5.01E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory potency to aminopyrine N-demethylase activity (P450) in hepatic microsomes from phenobarbitone-induced rats.				J Med Chem 25: 887-92 (1982) BindingDB Entry DOI: 10.7270/Q2VT1T8J
					More data for this Ligand-Target Pair