Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Acetylcholinesterase' and Ligand = 'BDBM50108602'   

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))	BDBM50108602 (CHEMBL3597942) Show SMILES [Cl-].Cc1ccc(cc1)-c1csc(NC(=O)C[n+]2ccc(\C=N\O)cc2)n1 Show InChI InChI=1S/C18H16N4O2S.ClH/c1-13-2-4-15(5-3-13)16-12-25-18(20-16)21-17(23)11-22-8-6-14(7-9-22)10-19-24;/h2-10,12H,11H2,1H3,(H,20,21,23);1H	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	9.70E+5	n/a	n/a	n/a	n/a	n/a	n/a
Defence Research & Development Establishment (DRDE) Curated by ChEMBL					Assay Description Inhibition of human acetylcholinesterase incubated for 60 mins using ATChI substrate by DTNB dye based UV-visible spectrophotometry				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))	BDBM50108602 (CHEMBL3597942) Show SMILES [Cl-].Cc1ccc(cc1)-c1csc(NC(=O)C[n+]2ccc(\C=N\O)cc2)n1 Show InChI InChI=1S/C18H16N4O2S.ClH/c1-13-2-4-15(5-3-13)16-12-25-18(20-16)21-17(23)11-22-8-6-14(7-9-22)10-19-24;/h2-10,12H,11H2,1H3,(H,20,21,23);1H	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	6.75E+4	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
Acetylcholinesterase (Homo sapiens (Human))	BDBM50108602 (CHEMBL3597942) Show SMILES [Cl-].Cc1ccc(cc1)-c1csc(NC(=O)C[n+]2ccc(\C=N\O)cc2)n1 Show InChI InChI=1S/C18H16N4O2S.ClH/c1-13-2-4-15(5-3-13)16-12-25-18(20-16)21-17(23)11-22-8-6-14(7-9-22)10-19-24;/h2-10,12H,11H2,1H3,(H,20,21,23);1H	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	5.72E+4	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))	BDBM50108602 (CHEMBL3597942) Show SMILES [Cl-].Cc1ccc(cc1)-c1csc(NC(=O)C[n+]2ccc(\C=N\O)cc2)n1 Show InChI InChI=1S/C18H16N4O2S.ClH/c1-13-2-4-15(5-3-13)16-12-25-18(20-16)21-17(23)11-22-8-6-14(7-9-22)10-19-24;/h2-10,12H,11H2,1H3,(H,20,21,23);1H	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	5.06E+4	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