Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cytochrome P450 1A2' and Ligand = 'BDBM50186088'   

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))	BDBM50186088 ((S)-2-amino-N-((S)-2-(biphenyl-4-yl)-1-cyanoethyl)...) Show SMILES CC[C@H](N)C(=O)N[C@@H](Cc1ccc(cc1)-c1ccccc1)C#N |r| Show InChI InChI=1S/C19H21N3O/c1-2-18(21)19(23)22-17(13-20)12-14-8-10-16(11-9-14)15-6-4-3-5-7-15/h3-11,17-18H,2,12,21H2,1H3,(H,22,23)/t17-,18-/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	1.49E+4	n/a	n/a	n/a	n/a	n/a	n/a
Arpida A/S Curated by ChEMBL					Assay Description Inhibition of CYP1A2				Bioorg Med Chem Lett 16: 3614-7 (2006) Article DOI: 10.1016/j.bmcl.2006.01.102 BindingDB Entry DOI: 10.7270/Q2639PC4
					More data for this Ligand-Target Pair