Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Acetylcholinesterase' and Ligand = 'BDBM50158583'   

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))	BDBM50158583 (3,8-Diamino-5-{3-[3-({3-[(2-methoxy-benzyl)-methyl...) Show SMILES COc1ccccc1CN(C)CCCN(C)CCCNCCCn1c(-c2ccccc2)c2cc(N)ccc2c2ccc(=[NH2+])cc12 Show InChI InChI=1S/C38H48N6O/c1-42(23-11-24-43(2)28-30-14-7-8-15-37(30)45-3)22-9-20-41-21-10-25-44-36-27-32(40)17-19-34(36)33-18-16-31(39)26-35(33)38(44)29-12-5-4-6-13-29/h4-8,12-19,26-27,40-41H,9-11,20-25,28,39H2,1-3H3/p+1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	894	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bologna Curated by ChEMBL					Assay Description Competitive inhibition constant for Acetylcholinesterase				J Med Chem 48: 24-7 (2005) Article DOI: 10.1021/jm049156q BindingDB Entry DOI: 10.7270/Q2P84CPM
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50158583 (3,8-Diamino-5-{3-[3-({3-[(2-methoxy-benzyl)-methyl...) Show SMILES COc1ccccc1CN(C)CCCN(C)CCCNCCCn1c(-c2ccccc2)c2cc(N)ccc2c2ccc(=[NH2+])cc12 Show InChI InChI=1S/C38H48N6O/c1-42(23-11-24-43(2)28-30-14-7-8-15-37(30)45-3)22-9-20-41-21-10-25-44-36-27-32(40)17-19-34(36)33-18-16-31(39)26-35(33)38(44)29-12-5-4-6-13-29/h4-8,12-19,26-27,40-41H,9-11,20-25,28,39H2,1-3H3/p+1	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	894	n/a	n/a	n/a	n/a	n/a	n/a
Sichuan University Curated by ChEMBL					Assay Description Inhibition of AChE				Eur J Med Chem 45: 1167-72 (2010) Article DOI: 10.1016/j.ejmech.2009.12.038 BindingDB Entry DOI: 10.7270/Q25H7GFM
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50158583 (3,8-Diamino-5-{3-[3-({3-[(2-methoxy-benzyl)-methyl...) Show SMILES COc1ccccc1CN(C)CCCN(C)CCCNCCCn1c(-c2ccccc2)c2cc(N)ccc2c2ccc(=[NH2+])cc12 Show InChI InChI=1S/C38H48N6O/c1-42(23-11-24-43(2)28-30-14-7-8-15-37(30)45-3)22-9-20-41-21-10-25-44-36-27-32(40)17-19-34(36)33-18-16-31(39)26-35(33)38(44)29-12-5-4-6-13-29/h4-8,12-19,26-27,40-41H,9-11,20-25,28,39H2,1-3H3/p+1	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	952	n/a	n/a	n/a	n/a	n/a	n/a
University of Bologna Curated by ChEMBL					Assay Description Inhibition of Acetylcholinesterase				J Med Chem 48: 24-7 (2005) Article DOI: 10.1021/jm049156q BindingDB Entry DOI: 10.7270/Q2P84CPM
					More data for this Ligand-Target Pair