Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cytochrome P450 2A5' and Ligand = 'BDBM50005246'   

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 2A5 (Mus musculus)	BDBM50005246 (1-Phenylpropan-2-amin | 1-phenyl-2-aminopropane | ...) Show SMILES CC(N)Cc1ccccc1 Show InChI InChI=1S/C9H13N/c1-8(10)7-9-5-3-2-4-6-9/h2-6,8H,7,10H2,1H3	PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase DrugBank KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	2.85E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Kuopio Curated by ChEMBL					Assay Description Inhibitory concentration against mouse cytochrome P450 2A5				J Med Chem 48: 440-9 (2005) Article DOI: 10.1021/jm049536b BindingDB Entry DOI: 10.7270/Q20C4WJV
					More data for this Ligand-Target Pair