Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cytochrome P450 1A2' and Ligand = 'BDBM50348419'   

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))	BDBM50348419 (CHEMBL1800933) Show SMILES CC(=O)N1CCC[C@H](C1)Oc1cc(F)cc(NC(=O)Nc2ccc(C)nc2)c1 |r| Show InChI InChI=1S/C20H23FN4O3/c1-13-5-6-16(11-22-13)23-20(27)24-17-8-15(21)9-19(10-17)28-18-4-3-7-25(12-18)14(2)26/h5-6,8-11,18H,3-4,7,12H2,1-2H3,(H2,23,24,27)/t18-/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	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of CYP1A2				ACS Med Chem Lett 1: 472-477 (2010) Article DOI: 10.1021/ml100138q BindingDB Entry DOI: 10.7270/Q2VX0GW4
					More data for this Ligand-Target Pair