null

SMILES: CC(C)CC(C#N)c1ccc(Cl)cc1

InChI Key: InChIKey=GVOOXZOJYBJMQA-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 113807   

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)	BDBM113807 (2-(4-Chlorophenyl)-4-methylpentanenitrile (39)) Show SMILES CC(C)CC(C#N)c1ccc(Cl)cc1 Show InChI InChI=1S/C12H14ClN/c1-9(2)7-11(8-14)10-3-5-12(13)6-4-10/h3-6,9,11H,7H2,1-2H3	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	290	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