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Found 4 hits Enz. Inhib. hit(s) with Target = 'Liver carboxylesterase 1' and Ligand = 'BDBM22735'   
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
Liver carboxylesterase 1


(Oryctolagus cuniculus (rabbit))
BDBM22735
PNG
(1,2-bis(3,4,5-trifluorophenyl)ethane-1,2-dione | B...)
Show SMILES Fc1cc(cc(F)c1F)C(=O)C(=O)c1cc(F)c(F)c(F)c1
Show InChI InChI=1S/C14H4F6O2/c15-7-1-5(2-8(16)11(7)19)13(21)14(22)6-3-9(17)12(20)10(18)4-6/h1-4H
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
47.9n/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
Liver carboxylesterase 1


(Homo sapiens (Human))
BDBM22735
PNG
(1,2-bis(3,4,5-trifluorophenyl)ethane-1,2-dione | B...)
Show SMILES Fc1cc(cc(F)c1F)C(=O)C(=O)c1cc(F)c(F)c(F)c1
Show InChI InChI=1S/C14H4F6O2/c15-7-1-5(2-8(16)11(7)19)13(21)14(22)6-3-9(17)12(20)10(18)4-6/h1-4H
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
372n/an/an/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Inhibition of human carboxylesterase 1


Bioorg Med Chem 17: 149-64 (2008)


Article DOI: 10.1016/j.bmc.2008.11.008
BindingDB Entry DOI: 10.7270/Q2JH3NFK
More data for this
Ligand-Target Pair
Liver carboxylesterase 1


(Homo sapiens (Human))
BDBM22735
PNG
(1,2-bis(3,4,5-trifluorophenyl)ethane-1,2-dione | B...)
Show SMILES Fc1cc(cc(F)c1F)C(=O)C(=O)c1cc(F)c(F)c(F)c1
Show InChI InChI=1S/C14H4F6O2/c15-7-1-5(2-8(16)11(7)19)13(21)14(22)6-3-9(17)12(20)10(18)4-6/h1-4H
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
372n/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
Liver carboxylesterase 1


(Homo sapiens (Human))
BDBM22735
PNG
(1,2-bis(3,4,5-trifluorophenyl)ethane-1,2-dione | B...)
Show SMILES Fc1cc(cc(F)c1F)C(=O)C(=O)c1cc(F)c(F)c(F)c1
Show InChI InChI=1S/C14H4F6O2/c15-7-1-5(2-8(16)11(7)19)13(21)14(22)6-3-9(17)12(20)10(18)4-6/h1-4H
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
470n/an/an/an/an/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Inhibition of human carboxylesterase 1


Bioorg Med Chem 15: 3801-17 (2007)


Article DOI: 10.1016/j.bmc.2007.03.012
BindingDB Entry DOI: 10.7270/Q29G5MGV
More data for this
Ligand-Target Pair