Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Acyl-homoserine lactone acylase PvdQ [A190E,F674L]' and Ligand = 'BDBM113820'   

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
Acyl-homoserine lactone acylase PvdQ [A190E,F674L] (Pseudomonas aeruginosa)	BDBM113820 (2-Chloro-6-((4-chlorophenyl)(1H-tetrazol-5-yl)-met...) Show SMILES Clc1ccc(cc1)C(c1nnn[nH]1)c1cccc(Cl)n1 Show InChI InChI=1S/C13H9Cl2N5/c14-9-6-4-8(5-7-9)12(13-17-19-20-18-13)10-2-1-3-11(15)16-10/h1-7,12H,(H,17,18,19,20)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.40E+3	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
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