Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Liver carboxylesterase 1' and Ligand = 'BDBM22795'   

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 (Homo sapiens (Human))	BDBM22795 (1-[(4-chlorophenyl)methyl]-2,3-dihydro-1H-indole-2...) Show SMILES Clc1ccc(CN2C(=O)C(=O)c3ccccc23)cc1 Show InChI InChI=1S/C15H10ClNO2/c16-11-7-5-10(6-8-11)9-17-13-4-2-1-3-12(13)14(18)15(17)19/h1-8H,9H2	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	25	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))	BDBM22795 (1-[(4-chlorophenyl)methyl]-2,3-dihydro-1H-indole-2...) Show SMILES Clc1ccc(CN2C(=O)C(=O)c3ccccc23)cc1 Show InChI InChI=1S/C15H10ClNO2/c16-11-7-5-10(6-8-11)9-17-13-4-2-1-3-12(13)14(18)15(17)19/h1-8H,9H2	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	25	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
St. Jude Children's Research Hospital Curated by ChEMBL					Assay Description Inhibition of human CE1 using o-NPA as substrate by spectrophotometric assay				J Nat Prod 76: 36-44 (2013) Article DOI: 10.1021/np300628a BindingDB Entry DOI: 10.7270/Q2VX0HWJ
					More data for this Ligand-Target Pair
Liver carboxylesterase 1 (Oryctolagus cuniculus (rabbit))	BDBM22795 (1-[(4-chlorophenyl)methyl]-2,3-dihydro-1H-indole-2...) Show SMILES Clc1ccc(CN2C(=O)C(=O)c3ccccc23)cc1 Show InChI InChI=1S/C15H10ClNO2/c16-11-7-5-10(6-8-11)9-17-13-4-2-1-3-12(13)14(18)15(17)19/h1-8H,9H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	750	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