Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Cholinesterase' and Ligand = 'BDBM50312001'   

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))	BDBM50312001 ((S)-hexyl 5-(2-(1-benzylpiperidin-4-yl)ethylamino)...) Show SMILES CCCCCCOC(=O)[C@H](CCC(=O)NCCC1CCN(Cc2ccccc2)CC1)NC(=O)c1cc2cccnc2s1 |r| Show InChI InChI=1S/C33H44N4O4S/c1-2-3-4-8-22-41-33(40)28(36-31(39)29-23-27-12-9-18-35-32(27)42-29)13-14-30(38)34-19-15-25-16-20-37(21-17-25)24-26-10-6-5-7-11-26/h5-7,9-12,18,23,25,28H,2-4,8,13-17,19-22,24H2,1H3,(H,34,38)(H,36,39)/t28-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	830	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))	BDBM50312001 ((S)-hexyl 5-(2-(1-benzylpiperidin-4-yl)ethylamino)...) Show SMILES CCCCCCOC(=O)[C@H](CCC(=O)NCCC1CCN(Cc2ccccc2)CC1)NC(=O)c1cc2cccnc2s1 |r| Show InChI InChI=1S/C33H44N4O4S/c1-2-3-4-8-22-41-33(40)28(36-31(39)29-23-27-12-9-18-35-32(27)42-29)13-14-30(38)34-19-15-25-16-20-37(21-17-25)24-26-10-6-5-7-11-26/h5-7,9-12,18,23,25,28H,2-4,8,13-17,19-22,24H2,1H3,(H,34,38)(H,36,39)/t28-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	950	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