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BDBM113782 2-(4-Chlorophenyl)-2-(5-chloropyridin-2-yl) acetonitrile (14)

SMILES: Clc1ccc(cc1)C(C#N)c1ccc(Cl)cn1

InChI Key: InChIKey=PCEGGDUEPDLPKZ-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 113782   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
PvdQ


(Pseudomonas aeruginosa)
BDBM113782
PNG
(2-(4-Chlorophenyl)-2-(5-chloropyridin-2-yl) aceton...)
Show SMILES Clc1ccc(cc1)C(C#N)c1ccc(Cl)cn1
Show InChI InChI=1S/C13H8Cl2N2/c14-10-3-1-9(2-4-10)12(7-16)13-6-5-11(15)8-17-13/h1-6,8,12H
PDB
MMDB

B.MOAD
GoogleScholar
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 130n/an/an/an/an/an/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