Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Acetylcholinesterase' and Ligand = 'BDBM50108603'   

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))	BDBM50108603 (CHEMBL3596215) Show SMILES [I-].O\N=C\c1ccc[n+](CC(=O)Nc2nc(cs2)-c2ccccc2)c1 Show InChI InChI=1S/C17H14N4O2S.HI/c22-16(11-21-8-4-5-13(10-21)9-18-23)20-17-19-15(12-24-17)14-6-2-1-3-7-14;/h1-10,12H,11H2,(H-,19,20,22,23);1H/b18-9+;	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	n/a	7.63E+5	n/a	n/a	n/a	n/a	n/a
Defence Research & Development Establishment (DRDE) Curated by ChEMBL					Assay Description Reactivation of O-ethylsarin-inhibited human acetylcholinesterase assessed as dissociation constant incubated for 60 mins using ATChI substrate by DT...				Bioorg Med Chem 23: 4899-910 (2015) Article DOI: 10.1016/j.bmc.2015.05.027 BindingDB Entry DOI: 10.7270/Q2GQ70J1
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50108603 (CHEMBL3596215) Show SMILES [I-].O\N=C\c1ccc[n+](CC(=O)Nc2nc(cs2)-c2ccccc2)c1 Show InChI InChI=1S/C17H14N4O2S.HI/c22-16(11-21-8-4-5-13(10-21)9-18-23)20-17-19-15(12-24-17)14-6-2-1-3-7-14;/h1-10,12H,11H2,(H-,19,20,22,23);1H/b18-9+;	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	n/a	3.51E+5	n/a	n/a	n/a	n/a	n/a
Defence Research & Development Establishment (DRDE) Curated by ChEMBL					Assay Description Reactivation of VX-inhibited human acetylcholinesterase assessed as dissociation constant incubated for 60 mins using ATChI substrate by DTNB dye bas...				Bioorg Med Chem 23: 4899-910 (2015) Article DOI: 10.1016/j.bmc.2015.05.027 BindingDB Entry DOI: 10.7270/Q2GQ70J1
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50108603 (CHEMBL3596215) Show SMILES [I-].O\N=C\c1ccc[n+](CC(=O)Nc2nc(cs2)-c2ccccc2)c1 Show InChI InChI=1S/C17H14N4O2S.HI/c22-16(11-21-8-4-5-13(10-21)9-18-23)20-17-19-15(12-24-17)14-6-2-1-3-7-14;/h1-10,12H,11H2,(H-,19,20,22,23);1H/b18-9+;	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	n/a	6.83E+5	n/a	n/a	n/a	n/a	n/a
Defence Research & Development Establishment (DRDE) Curated by ChEMBL					Assay Description Reactivation of sarin-inhibited human acetylcholinesterase assessed as dissociation constant incubated for 60 mins using ATChI substrate by DTNB dye ...				Bioorg Med Chem 23: 4899-910 (2015) Article DOI: 10.1016/j.bmc.2015.05.027 BindingDB Entry DOI: 10.7270/Q2GQ70J1
					More data for this Ligand-Target Pair