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BDBM113772 2-(4-Fluorophenyl)-2-(6-(trifluoromethyl)pyridin-2-yl) acetonitrile (4)

SMILES: Fc1ccc(cc1)C(C#N)c1cccc(n1)C(F)(F)F

InChI Key: InChIKey=DXQNDKQUHKVTTC-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 = 113772   
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)
BDBM113772
PNG
(2-(4-Fluorophenyl)-2-(6-(trifluoromethyl)pyridin-2...)
Show SMILES Fc1ccc(cc1)C(C#N)c1cccc(n1)C(F)(F)F
Show InChI InChI=1S/C14H8F4N2/c15-10-6-4-9(5-7-10)11(8-19)12-2-1-3-13(20-12)14(16,17)18/h1-7,11H
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MMDB

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PC cid
PC sid
PDB
UniChem

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PDB
Article
PubMed
n/an/a 20n/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)