Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Liver carboxylesterase 1' and Ligand = 'BDBM22782'   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
Liver carboxylesterase 1 (Oryctolagus cuniculus (rabbit))	BDBM22782 (2,3,5,6-tetrachlorocyclohexa-2,5-diene-1,4-dione |...) Show SMILES ClC1=C(Cl)C(=O)C(Cl)=C(Cl)C1=O |c:1,t:7| Show InChI InChI=1S/C6Cl4O2/c7-1-2(8)6(12)4(10)3(9)5(1)11	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid UniChem Patents	Article PubMed	54.8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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))	BDBM22782 (2,3,5,6-tetrachlorocyclohexa-2,5-diene-1,4-dione |...) Show SMILES ClC1=C(Cl)C(=O)C(Cl)=C(Cl)C1=O |c:1,t:7| Show InChI InChI=1S/C6Cl4O2/c7-1-2(8)6(12)4(10)3(9)5(1)11	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid UniChem Patents	Article PubMed	83.9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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