Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Acetylcholinesterase' and Ligand = 'BDBM50267491'   

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
Acetylcholinesterase (Homo sapiens (Human))	BDBM50267491 (CHEMBL4098654) Show SMILES CCN(CCCCNC(=O)COc1ccc(cc1)-c1cc(=O)c2c(OC)c(OC)c(OC)cc2o1)Cc1ccccc1OC Show InChI InChI=1S/C34H40N2O8/c1-6-36(21-24-11-7-8-12-27(24)39-2)18-10-9-17-35-31(38)22-43-25-15-13-23(14-16-25)28-19-26(37)32-29(44-28)20-30(40-3)33(41-4)34(32)42-5/h7-8,11-16,19-20H,6,9-10,17-18,21-22H2,1-5H3,(H,35,38)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	63	n/a	n/a	n/a	n/a	n/a	n/a
Department of Medicinal Chemistry, Key Laboratory of Drug Targeting and Drug Delivery System of the Education Ministry, West China School of Pharmacy, Sichuan University, Chengdu, 610041, China; Coll Curated by ChEMBL					Assay Description Inhibition of human erythrocyte AChE using acetylthiocholine iodide as substrate after 15 mins by Ellman's method				Eur J Med Chem 135: 307-323 (2017) Article DOI: 10.1016/j.ejmech.2017.04.054 BindingDB Entry DOI: 10.7270/Q2H41TX2
					More data for this Ligand-Target Pair
Acetylcholinesterase (Rattus norvegicus (rat))	BDBM50267491 (CHEMBL4098654) Show SMILES CCN(CCCCNC(=O)COc1ccc(cc1)-c1cc(=O)c2c(OC)c(OC)c(OC)cc2o1)Cc1ccccc1OC Show InChI InChI=1S/C34H40N2O8/c1-6-36(21-24-11-7-8-12-27(24)39-2)18-10-9-17-35-31(38)22-43-25-15-13-23(14-16-25)28-19-26(37)32-29(44-28)20-30(40-3)33(41-4)34(32)42-5/h7-8,11-16,19-20H,6,9-10,17-18,21-22H2,1-5H3,(H,35,38)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	74	n/a	n/a	n/a	n/a	n/a	n/a
Department of Medicinal Chemistry, Key Laboratory of Drug Targeting and Drug Delivery System of the Education Ministry, West China School of Pharmacy, Sichuan University, Chengdu, 610041, China; Coll Curated by ChEMBL					Assay Description Inhibition of rat cortex homogenate AChE using acetylthiocholine iodide as substrate after 15 mins in presence of BuChE inhibitor iso-OMPA by Ellman'...				Eur J Med Chem 135: 307-323 (2017) Article DOI: 10.1016/j.ejmech.2017.04.054 BindingDB Entry DOI: 10.7270/Q2H41TX2
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50267491 (CHEMBL4098654) Show SMILES CCN(CCCCNC(=O)COc1ccc(cc1)-c1cc(=O)c2c(OC)c(OC)c(OC)cc2o1)Cc1ccccc1OC Show InChI InChI=1S/C34H40N2O8/c1-6-36(21-24-11-7-8-12-27(24)39-2)18-10-9-17-35-31(38)22-43-25-15-13-23(14-16-25)28-19-26(37)32-29(44-28)20-30(40-3)33(41-4)34(32)42-5/h7-8,11-16,19-20H,6,9-10,17-18,21-22H2,1-5H3,(H,35,38)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.77E+3	n/a	n/a	n/a	n/a	n/a	n/a
Department of Medicinal Chemistry, Key Laboratory of Drug Targeting and Drug Delivery System of the Education Ministry, West China School of Pharmacy, Sichuan University, Chengdu, 610041, China; Coll Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine iodide as substrate after 15 mins by Ellman's method				Eur J Med Chem 135: 307-323 (2017) Article DOI: 10.1016/j.ejmech.2017.04.054 BindingDB Entry DOI: 10.7270/Q2H41TX2
					More data for this Ligand-Target Pair