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2 similar compounds to monomer 113772

Compile data set for download or QSAR
Wt: 330.2
BDBM113797
Wt: 296.6
BDBM113784

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 113797,113784   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
PvdQ


(Pseudomonas aeruginosa)
BDBM113797
PNG
(2-(4-(Trifluoromethyl)phenyl)-2-(6-(trifluoromethy...)
Show SMILES FC(F)(F)c1ccc(cc1)C(C#N)c1cccc(n1)C(F)(F)F
Show InChI InChI=1S/C15H8F6N2/c16-14(17,18)10-6-4-9(5-7-10)11(8-22)12-2-1-3-13(23-12)15(19,20)21/h1-7,11H
PDB
MMDB

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 140n/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
PvdQ


(Pseudomonas aeruginosa)
BDBM113784
PNG
(2-(4-Chlorophenyl)-2-(6-(trifluoromethyl)pyridin-2...)
Show SMILES FC(F)(F)c1cccc(n1)C(C#N)c1ccc(Cl)cc1
Show InChI InChI=1S/C14H8ClF3N2/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
PDB
MMDB

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 10n/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