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BDBM113771 2‐(4‐chlorophenyl)‐2‐(6‐chloropyridin‐2‐ yl)acetonitrile (3)

SMILES: Clc1ccc(cc1)C(C#N)c1cccc(Cl)n1

InChI Key: InChIKey=KFUYTJBERFHHIL-UHFFFAOYSA-N

Data: 1 IC50

PDB links: 1 PDB ID matches this monomer.

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 = 113771   
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)
BDBM113771
PNG
(2‐(4‐chlorophenyl)‐2‐(6...)
Show SMILES Clc1ccc(cc1)C(C#N)c1cccc(Cl)n1
Show InChI InChI=1S/C13H8Cl2N2/c14-10-6-4-9(5-7-10)11(8-16)12-2-1-3-13(15)17-12/h1-7,11H
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PC sid
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Article
PubMed
n/an/a 40n/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)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)