Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Acetylcholinesterase' and Ligand = 'BDBM50260308'   

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))	BDBM50260308 (CHEMBL4102122) Show SMILES COc1cc2CCN(CC3CCN(Cc4cc(Cl)cc(\C=N\O)c4O)CC3)Cc2cc1OC Show InChI InChI=1S/C25H32ClN3O4/c1-32-23-11-18-5-8-29(15-20(18)12-24(23)33-2)14-17-3-6-28(7-4-17)16-21-10-22(26)9-19(13-27-31)25(21)30/h9-13,17,30-31H,3-8,14-16H2,1-2H3/b27-13+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.37E+5	n/a	n/a	n/a	n/a	n/a	n/a
Fourth Military Medical University Curated by ChEMBL					Assay Description Inhibition of human AChE using acetylthiocholine as substrate preincubated for 30 mins followed by substrate addition measured every 5 mins for 20 mi...				Bioorg Med Chem 25: 4497-4505 (2017) Article DOI: 10.1016/j.bmc.2017.06.041 BindingDB Entry DOI: 10.7270/Q2SJ1P2T
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50260308 (CHEMBL4102122) Show SMILES COc1cc2CCN(CC3CCN(Cc4cc(Cl)cc(\C=N\O)c4O)CC3)Cc2cc1OC Show InChI InChI=1S/C25H32ClN3O4/c1-32-23-11-18-5-8-29(15-20(18)12-24(23)33-2)14-17-3-6-28(7-4-17)16-21-10-22(26)9-19(13-27-31)25(21)30/h9-13,17,30-31H,3-8,14-16H2,1-2H3/b27-13+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	2.62E+5	n/a	n/a	n/a	n/a	n/a
Fourth Military Medical University Curated by ChEMBL					Assay Description Reactivation of sarin-induced inhibition of human AChE assessed as dissociation constant using acetylthiocholine as substrate preincubated for 30 min...				Bioorg Med Chem 25: 4497-4505 (2017) Article DOI: 10.1016/j.bmc.2017.06.041 BindingDB Entry DOI: 10.7270/Q2SJ1P2T
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50260308 (CHEMBL4102122) Show SMILES COc1cc2CCN(CC3CCN(Cc4cc(Cl)cc(\C=N\O)c4O)CC3)Cc2cc1OC Show InChI InChI=1S/C25H32ClN3O4/c1-32-23-11-18-5-8-29(15-20(18)12-24(23)33-2)14-17-3-6-28(7-4-17)16-21-10-22(26)9-19(13-27-31)25(21)30/h9-13,17,30-31H,3-8,14-16H2,1-2H3/b27-13+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	8.90E+3	n/a	n/a	n/a	n/a	n/a
Fourth Military Medical University Curated by ChEMBL					Assay Description Reactivation of tabun-induced inhibition of human AChE assessed as dissociation constant using acetylthiocholine as substrate preincubated for 30 min...				Bioorg Med Chem 25: 4497-4505 (2017) Article DOI: 10.1016/j.bmc.2017.06.041 BindingDB Entry DOI: 10.7270/Q2SJ1P2T
					More data for this Ligand-Target Pair