Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Acetylcholinesterase' and Ligand = 'BDBM50252256'   

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 (Anopheles gambiae)	BDBM50252256 (CHEMBL4064806) Show SMILES COc1ccccc1NC(=S)NCCN(C)C Show InChI InChI=1S/C12H19N3OS/c1-15(2)9-8-13-12(17)14-10-6-4-5-7-11(10)16-3/h4-7H,8-9H2,1-3H3,(H2,13,14,17)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Ume£ University Curated by ChEMBL					Assay Description Inhibition of AChE1 in Anopheles gambiae body extract using acetylthiocholine iodide as substrate measured over 60 secs by Ellman's method				Eur J Med Chem 134: 415-427 (2017) Article DOI: 10.1016/j.ejmech.2017.03.050 BindingDB Entry DOI: 10.7270/Q23X893Z
					More data for this Ligand-Target Pair
Acetylcholinesterase (Anopheles gambiae)	BDBM50252256 (CHEMBL4064806) Show SMILES COc1ccccc1NC(=S)NCCN(C)C Show InChI InChI=1S/C12H19N3OS/c1-15(2)9-8-13-12(17)14-10-6-4-5-7-11(10)16-3/h4-7H,8-9H2,1-3H3,(H2,13,14,17)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Ume£ University Curated by ChEMBL					Assay Description Inhibition of recombinant full length Anopheles gambiae AChE1 expressed in baculovirus-infected Sf9 insect cells using acetylthiocholine iodide as su...				Eur J Med Chem 134: 415-427 (2017) Article DOI: 10.1016/j.ejmech.2017.03.050 BindingDB Entry DOI: 10.7270/Q23X893Z
					More data for this Ligand-Target Pair
Acetylcholinesterase (Anopheles gambiae)	BDBM50252256 (CHEMBL4064806) Show SMILES COc1ccccc1NC(=S)NCCN(C)C Show InChI InChI=1S/C12H19N3OS/c1-15(2)9-8-13-12(17)14-10-6-4-5-7-11(10)16-3/h4-7H,8-9H2,1-3H3,(H2,13,14,17)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Ume£ University Curated by ChEMBL					Assay Description Inhibition of AChE1 in Anopheles gambiae body extract using acetylthiocholine iodide as substrate measured over 60 secs by Ellman's method				Eur J Med Chem 134: 415-427 (2017) Article DOI: 10.1016/j.ejmech.2017.03.050 BindingDB Entry DOI: 10.7270/Q23X893Z
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50252256 (CHEMBL4064806) Show SMILES COc1ccccc1NC(=S)NCCN(C)C Show InChI InChI=1S/C12H19N3OS/c1-15(2)9-8-13-12(17)14-10-6-4-5-7-11(10)16-3/h4-7H,8-9H2,1-3H3,(H2,13,14,17)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.20E+5	n/a	n/a	n/a	n/a	n/a	n/a
Ume£ University Curated by ChEMBL					Assay Description Inhibition of recombinant human AChE expressed in HEK293F cells using acetylthiocholine iodide as substrate measured over 60 secs by Ellman's method				Eur J Med Chem 134: 415-427 (2017) Article DOI: 10.1016/j.ejmech.2017.03.050 BindingDB Entry DOI: 10.7270/Q23X893Z
					More data for this Ligand-Target Pair