Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cytochrome P450 1A2' and Ligand = 'BDBM50209383'   

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))	BDBM50209383 ((S)-3-(6-(4-fluorophenyl)-4-methyl-1H-benzo[d]imid...) Show SMILES Cc1cc(cc2[nH]c(nc12)-c1c(N[C@H](CO)Cc2ccccc2)cc[nH]c1=O)-c1ccc(F)cc1 Show InChI InChI=1S/C28H25FN4O2/c1-17-13-20(19-7-9-21(29)10-8-19)15-24-26(17)33-27(32-24)25-23(11-12-30-28(25)35)31-22(16-34)14-18-5-3-2-4-6-18/h2-13,15,22,34H,14,16H2,1H3,(H,32,33)(H2,30,31,35)/t22-/m0/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	3.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of CYP1A2 in microsomes				Bioorg Med Chem Lett 17: 3072-6 (2007) Article DOI: 10.1016/j.bmcl.2007.03.048 BindingDB Entry DOI: 10.7270/Q2F76C71
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