BDBM113781 2-(4-Chloro-2-fluorophenyl)-2-(6-chloropyridin-2-yl) acetonitrile (13)

SMILES: Fc1cc(Cl)ccc1C(C#N)c1cccc(Cl)n1

InChI Key: InChIKey=AIDQZABXXMIHQX-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 = 113781   

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)	BDBM113781 (2-(4-Chloro-2-fluorophenyl)-2-(6-chloropyridin-2-y...) Show SMILES Fc1cc(Cl)ccc1C(C#N)c1cccc(Cl)n1 Show InChI InChI=1S/C13H7Cl2FN2/c14-8-4-5-9(11(16)6-8)10(7-17)12-2-1-3-13(15)18-12/h1-6,10H	PDB MMDB B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	60	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