Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Liver carboxylesterase 1' and Ligand = 'BDBM22804'   

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))	BDBM22804 (1-{[(2-bromophenyl)amino]methyl}-2,3-dihydro-1H-in...) Show SMILES Brc1ccccc1NCN1C(=O)C(=O)c2ccccc12 Show InChI InChI=1S/C15H11BrN2O2/c16-11-6-2-3-7-12(11)17-9-18-13-8-4-1-5-10(13)14(19)15(18)20/h1-8,17H,9H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.15E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
St. Jude Research Hospital					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 50: 1876-85 (2007) Article DOI: 10.1021/jm061471k BindingDB Entry DOI: 10.7270/Q2TX3CNK
					More data for this Ligand-Target Pair
Liver carboxylesterase 1 (Homo sapiens (Human))	BDBM22804 (1-{[(2-bromophenyl)amino]methyl}-2,3-dihydro-1H-in...) Show SMILES Brc1ccccc1NCN1C(=O)C(=O)c2ccccc12 Show InChI InChI=1S/C15H11BrN2O2/c16-11-6-2-3-7-12(11)17-9-18-13-8-4-1-5-10(13)14(19)15(18)20/h1-8,17H,9H2	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	3.60E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
St. Jude Research Hospital					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 50: 1876-85 (2007) Article DOI: 10.1021/jm061471k BindingDB Entry DOI: 10.7270/Q2TX3CNK
					More data for this Ligand-Target Pair