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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carboxylesterase 1' and Ligand = 'BDBM22747'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Carboxylesterase 1


(Oryctolagus cuniculus (rabbit))
BDBM22747
PNG
(1,2-bis(4-bromo-3-nitrophenyl)ethane-1,2-dione | B...)
Show SMILES [O-][N+](=O)c1cc(ccc1Br)C(=O)C(=O)c1ccc(Br)c(c1)[N+]([O-])=O
Show InChI InChI=1S/C14H6Br2N2O6/c15-9-3-1-7(5-11(9)17(21)22)13(19)14(20)8-2-4-10(16)12(6-8)18(23)24/h1-6H
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Patents

Article
PubMed
8.70n/an/an/an/an/an/an/an/a



University of Mississippi



Assay Description
CE inhibition was determined using a spectrophotometric multiwell plate assay with o-NPA as a substrate. The rate of change in absorbance at 420 nm w...


J Med Chem 48: 2906-15 (2005)


Article DOI: 10.1021/jm049011j
BindingDB Entry DOI: 10.7270/Q2ZP44DR
More data for this
Ligand-Target Pair