Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cytochrome P450 1A2' and Ligand = 'BDBM50447890'   

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))	BDBM50447890 (CHEMBL3114971) Show SMILES Cn1cnc(c1)S(=O)(=O)N1C[C@H]2[C@@H](C1)[C@]2(CNC(=O)c1ccccc1C(F)(F)F)CC1CC1 |r| Show InChI InChI=1S/C22H25F3N4O3S/c1-28-11-19(27-13-28)33(31,32)29-9-17-18(10-29)21(17,8-14-6-7-14)12-26-20(30)15-4-2-3-5-16(15)22(23,24)25/h2-5,11,13-14,17-18H,6-10,12H2,1H3,(H,26,30)/t17-,18+,21-	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	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University Medical Center Curated by ChEMBL					Assay Description Inhibition of CYP1A2 (unknown origin)				Bioorg Med Chem Lett 24: 1067-70 (2014) Article DOI: 10.1016/j.bmcl.2014.01.013 BindingDB Entry DOI: 10.7270/Q2K64KK4
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