Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cytochrome P450 2D6' and Ligand = 'BDBM174943'   

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 2D6 (Homo sapiens (Human))	BDBM174943 (US9096593, P-2038) Show SMILES COc1ccc(CNc2ncc(Cc3c[nH]c4ncc(Cl)cc34)cn2)cn1 Show InChI InChI=1S/C19H17ClN6O/c1-27-17-3-2-12(6-21-17)7-24-19-25-8-13(9-26-19)4-14-10-22-18-16(14)5-15(20)11-23-18/h2-3,5-6,8-11H,4,7H2,1H3,(H,22,23)(H,24,25,26)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Plexxikon Inc. US Patent					Assay Description CYP (Cytochrome P450) enzymes are the major drug metabolizing enzymes present in the liver. The inhibition of CYP enzyme activity (IC50) for each of ...				US Patent US9096593 (2015) BindingDB Entry DOI: 10.7270/Q2PK0DXR
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