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Found 1 hit Enz. Inhib. hit(s) with Target = 'Liver carboxylesterase 1' and Ligand = 'BDBM50458275'   
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


(Homo sapiens (Human))		BDBM50458275
PNG
(CHEMBL4204853)
Show SMILES CC1(C)CCc2ccc3C(F)=CC(=O)C(=O)c3c2C1 |c:10|
Show InChI InChI=1S/C16H15FO2/c1-16(2)6-5-9-3-4-10-12(17)7-13(18)15(19)14(10)11(9)8-16/h3-4,7H,5-6,8H2,1-2H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
 14n/an/an/an/an/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Inhibition of human liver carboxylesterase 1 using o-nitrophenyl acetate as substrate

Eur J Med Chem 149: 79-89 (2018)


Article DOI: 10.1016/j.ejmech.2018.02.052
BindingDB Entry DOI: 10.7270/Q2K076WP
More data for this
Ligand-Target Pair