BDBM113787 2-(4-Chlorophenyl)-2-(5-methylpyridin-2-yl) acetonitrile (19)

SMILES: Cc1ccc(nc1)C(C#N)c1ccc(Cl)cc1

InChI Key: InChIKey=TZDMNGXBDHKRPC-UHFFFAOYSA-N

Data: 1 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 113787   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Acyl-homoserine lactone acylase PvdQ [A190E,F674L] (Pseudomonas aeruginosa)	BDBM113787 (2-(4-Chlorophenyl)-2-(5-methylpyridin-2-yl) aceton...) Show SMILES Cc1ccc(nc1)C(C#N)c1ccc(Cl)cc1 Show InChI InChI=1S/C14H11ClN2/c1-10-2-7-14(17-9-10)13(8-16)11-3-5-12(15)6-4-11/h2-7,9,13H,1H3	PDB MMDB B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	250	n/a	n/a	n/a	n/a	n/a	n/a
The Broad Institute , Cambridge, Massachusetts 02142, United States					Assay Description The assay was performed with nine compound concentrations that ranged from 3 nM to 19.5 µM with PvdQ concentration of 20 nM. The positive contro...				ACS Chem Biol 9: 1536-44 (2014) Article DOI: 10.1021/cb5001586 BindingDB Entry DOI: 10.7270/Q2PC311M
					More data for this Ligand-Target Pair