Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Cholinesterase' and Ligand = 'BDBM50345196'   

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 (Equus caballus (Horse))	BDBM50345196 (CHEMBL1783191 | N1-(3,4-Dimethoxybenzyl)-N5-(1,2,3...) Show SMILES COc1ccc(CNCCCCCNc2c3CCCCc3nc3ccccc23)cc1OC Show InChI InChI=1S/C27H35N3O2/c1-31-25-15-14-20(18-26(25)32-2)19-28-16-8-3-9-17-29-27-21-10-4-6-12-23(21)30-24-13-7-5-11-22(24)27/h4,6,10,12,14-15,18,28H,3,5,7-9,11,13,16-17,19H2,1-2H3,(H,29,30)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	9.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Sevilla Curated by ChEMBL					Assay Description Inhibition of equine serum BuChE assessed as dissociation constant for enzyme-substrate-inhibitor complex using butyrylthiocholine iodide as substrat...				Eur J Med Chem 181: (2019) Article DOI: 10.1016/j.ejmech.2019.07.053 BindingDB Entry DOI: 10.7270/Q23R0X60
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50345196 (CHEMBL1783191 | N1-(3,4-Dimethoxybenzyl)-N5-(1,2,3...) Show SMILES COc1ccc(CNCCCCCNc2c3CCCCc3nc3ccccc23)cc1OC Show InChI InChI=1S/C27H35N3O2/c1-31-25-15-14-20(18-26(25)32-2)19-28-16-8-3-9-17-29-27-21-10-4-6-12-23(21)30-24-13-7-5-11-22(24)27/h4,6,10,12,14-15,18,28H,3,5,7-9,11,13,16-17,19H2,1-2H3,(H,29,30)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Sevilla Curated by ChEMBL					Assay Description Inhibition of equine serum BuChE assessed as dissociation constant for enzyme-inhibitor complex using butyrylthiocholine iodide as substrate measured...				Eur J Med Chem 181: (2019) Article DOI: 10.1016/j.ejmech.2019.07.053 BindingDB Entry DOI: 10.7270/Q23R0X60
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50345196 (CHEMBL1783191 | N1-(3,4-Dimethoxybenzyl)-N5-(1,2,3...) Show SMILES COc1ccc(CNCCCCCNc2c3CCCCc3nc3ccccc23)cc1OC Show InChI InChI=1S/C27H35N3O2/c1-31-25-15-14-20(18-26(25)32-2)19-28-16-8-3-9-17-29-27-21-10-4-6-12-23(21)30-24-13-7-5-11-22(24)27/h4,6,10,12,14-15,18,28H,3,5,7-9,11,13,16-17,19H2,1-2H3,(H,29,30)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	24.4	n/a	n/a	n/a	n/a	n/a	n/a
Sun Yat-sen University Curated by ChEMBL					Assay Description Inhibition of equine serum BuChE assessed as inhibition of butylthiocholine chloride substrate hydrolysis incubated for 15 mins before substrate addi...				Eur J Med Chem 46: 2609-16 (2011) Article DOI: 10.1016/j.ejmech.2011.03.058 BindingDB Entry DOI: 10.7270/Q2BV7GZB
					More data for this Ligand-Target Pair