Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Acetylcholinesterase' and Ligand = 'BDBM50073112'   

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))	BDBM50073112 (CHEMBL3410956) Show SMILES Cc1c(C)c2OC(C)(CCc2c(C)c1O)C(=O)NCCCCCCCCNc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C35H47N3O3/c1-23-24(2)33-26(25(3)32(23)39)19-20-35(4,41-33)34(40)37-22-14-8-6-5-7-13-21-36-31-27-15-9-11-17-29(27)38-30-18-12-10-16-28(30)31/h9,11,15,17,39H,5-8,10,12-14,16,18-22H2,1-4H3,(H,36,38)(H,37,40)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	227	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of human erythrocyte AChE using acetylthiocholine iodide as substrate preincubated for 6 mins before substrate addition by Ellman's method				Eur J Med Chem 93: 42-50 (2015) Article DOI: 10.1016/j.ejmech.2015.01.058 BindingDB Entry DOI: 10.7270/Q2154JRN
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50073112 (CHEMBL3410956) Show SMILES Cc1c(C)c2OC(C)(CCc2c(C)c1O)C(=O)NCCCCCCCCNc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C35H47N3O3/c1-23-24(2)33-26(25(3)32(23)39)19-20-35(4,41-33)34(40)37-22-14-8-6-5-7-13-21-36-31-27-15-9-11-17-29(27)38-30-18-12-10-16-28(30)31/h9,11,15,17,39H,5-8,10,12-14,16,18-22H2,1-4H3,(H,36,38)(H,37,40)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	228	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 6 mins before substrate addition by Ellman's method				Eur J Med Chem 93: 42-50 (2015) Article DOI: 10.1016/j.ejmech.2015.01.058 BindingDB Entry DOI: 10.7270/Q2154JRN
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50073112 (CHEMBL3410956) Show SMILES Cc1c(C)c2OC(C)(CCc2c(C)c1O)C(=O)NCCCCCCCCNc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C35H47N3O3/c1-23-24(2)33-26(25(3)32(23)39)19-20-35(4,41-33)34(40)37-22-14-8-6-5-7-13-21-36-31-27-15-9-11-17-29(27)38-30-18-12-10-16-28(30)31/h9,11,15,17,39H,5-8,10,12-14,16,18-22H2,1-4H3,(H,36,38)(H,37,40)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	690	n/a	n/a	n/a	n/a	n/a	n/a
University Hospital Hradec Kralove Curated by ChEMBL					Assay Description Inhibition of human recombinant AChE using acetylthiocholine as substrate preincubated for 5 mins followed by substrate addition measured every 2 min...				J Med Chem 58: 8985-9003 (2015) Article DOI: 10.1021/acs.jmedchem.5b01325 BindingDB Entry DOI: 10.7270/Q29P33GZ
					More data for this Ligand-Target Pair