Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cytochrome P450 1A2' and Ligand = 'BDBM50348418'   

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))	BDBM50348418 (CHEMBL1800931) Show SMILES CC(=O)N1CCC[C@H](C1)Oc1cc(F)cc(NC(=O)Nc2cccnc2)c1 |r| Show InChI InChI=1S/C19H21FN4O3/c1-13(25)24-7-3-5-17(12-24)27-18-9-14(20)8-16(10-18)23-19(26)22-15-4-2-6-21-11-15/h2,4,6,8-11,17H,3,5,7,12H2,1H3,(H2,22,23,26)/t17-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	80	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
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