BDBM113799 2-(4-Chloro-2-fluorophenyl)-2-(5-(trifluoromethyl)-pyridin-2-yl)acetonitrile (31)
SMILES: Fc1cc(Cl)ccc1C(C#N)c1ccc(cn1)C(F)(F)F
InChI Key: InChIKey=FMTFEXHFRCBBFK-UHFFFAOYSA-N
Data: 1 IC50
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 |
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Acyl-homoserine lactone acylase PvdQ [A190E,F674L] (Pseudomonas aeruginosa) | BDBM113799 (2-(4-Chloro-2-fluorophenyl)-2-(5-(trifluoromethyl)...) | PDB MMDB B.MOAD GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 10 | 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 |