Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Cholinesterase' and Ligand = 'BDBM50064051'   

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
Cholinesterase (Homo sapiens (Human))	BDBM50064051 (5-Methyl-1-[(2R,5S)-5-(6-methyl-2-oxo-4H-2lambda*5...) Show SMILES Cc1ccc2OP(=O)(OC[C@H]3O[C@H](C=C3)n3cc(C)c(=O)[nH]c3=O)OCc2c1 |r,c:13| Show InChI InChI=1S/C18H19N2O7P/c1-11-3-5-15-13(7-11)9-24-28(23,27-15)25-10-14-4-6-16(26-14)20-8-12(2)17(21)19-18(20)22/h3-8,14,16H,9-10H2,1-2H3,(H,19,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Hamburg Curated by ChEMBL					Assay Description Inhibition of human serum BChE				J Med Chem 50: 1335-46 (2007) Article DOI: 10.1021/jm0611713 BindingDB Entry DOI: 10.7270/Q25H7H3J
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50064051 (5-Methyl-1-[(2R,5S)-5-(6-methyl-2-oxo-4H-2lambda*5...) Show SMILES Cc1ccc2OP(=O)(OC[C@H]3O[C@H](C=C3)n3cc(C)c(=O)[nH]c3=O)OCc2c1 |r,c:13| Show InChI InChI=1S/C18H19N2O7P/c1-11-3-5-15-13(7-11)9-24-28(23,27-15)25-10-14-4-6-16(26-14)20-8-12(2)17(21)19-18(20)22/h3-8,14,16H,9-10H2,1-2H3,(H,19,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Hamburg Curated by ChEMBL					Assay Description Inhibitory activity towards human butyrylcholinesterase				J Med Chem 47: 2839-52 (2004) Article DOI: 10.1021/jm031032a BindingDB Entry DOI: 10.7270/Q2P84CN5
					More data for this Ligand-Target Pair