Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Cholinesterase' and Ligand = 'BDBM50312000'   

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))	BDBM50312000 ((S)-hexyl 2-(benzo[b]thiophene-2-carboxamido)-5-(2...) Show SMILES CCCCCCOC(=O)[C@H](CCC(=O)NCCC1CCN(Cc2ccccc2)CC1)NC(=O)c1cc2ccccc2s1 |r| Show InChI InChI=1S/C34H45N3O4S/c1-2-3-4-10-23-41-34(40)29(36-33(39)31-24-28-13-8-9-14-30(28)42-31)15-16-32(38)35-20-17-26-18-21-37(22-19-26)25-27-11-6-5-7-12-27/h5-9,11-14,24,26,29H,2-4,10,15-23,25H2,1H3,(H,35,38)(H,36,39)/t29-/m0/s1	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	330	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Quimica Medica (CSIC) Curated by ChEMBL					Assay Description Inhibition of human BuChE in serum				J Med Chem 52: 7249-57 (2009) Article DOI: 10.1021/jm900628z BindingDB Entry DOI: 10.7270/Q2668DB1
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50312000 ((S)-hexyl 2-(benzo[b]thiophene-2-carboxamido)-5-(2...) Show SMILES CCCCCCOC(=O)[C@H](CCC(=O)NCCC1CCN(Cc2ccccc2)CC1)NC(=O)c1cc2ccccc2s1 |r| Show InChI InChI=1S/C34H45N3O4S/c1-2-3-4-10-23-41-34(40)29(36-33(39)31-24-28-13-8-9-14-30(28)42-31)15-16-32(38)35-20-17-26-18-21-37(22-19-26)25-27-11-6-5-7-12-27/h5-9,11-14,24,26,29H,2-4,10,15-23,25H2,1H3,(H,35,38)(H,36,39)/t29-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	550	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Quimica Medica (CSIC) Curated by ChEMBL					Assay Description Inhibition of BuChE in horse serum by Ellman method				J Med Chem 52: 7249-57 (2009) Article DOI: 10.1021/jm900628z BindingDB Entry DOI: 10.7270/Q2668DB1
					More data for this Ligand-Target Pair