Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cytochrome P450 1A2' and Ligand = 'BDBM50443872'   

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 1A2 (Homo sapiens (Human))	BDBM50443872 (CHEMBL3091544) Show SMILES Cn1c(nc(cc1=O)-c1ccncn1)N1CCO[C@H](C1)c1c(F)cccc1Cl |r| Show InChI InChI=1S/C19H17ClFN5O2/c1-25-17(27)9-15(14-5-6-22-11-23-14)24-19(25)26-7-8-28-16(10-26)18-12(20)3-2-4-13(18)21/h2-6,9,11,16H,7-8,10H2,1H3/t16-/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	1.95E+4	n/a	n/a	n/a	n/a	n/a	n/a
Mitsubishi Tanabe Pharma Corporation Curated by ChEMBL					Assay Description Inhibition of recombinant human CYP1A2				Bioorg Med Chem Lett 23: 6933-7 (2013) Article DOI: 10.1016/j.bmcl.2013.09.020 BindingDB Entry DOI: 10.7270/Q2VT1TJ4
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