Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with all data for assayid = 11 entry = 50000301   

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 (Bos taurus (bovine))	BDBM8970 (CHEMBL51197 | N-[7-(1,2,3,4-tetrahydroacridin-9-yl...) Show SMILES C(CCCNc1c2CCCCc2nc2ccccc12)CCCSc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C33H39N3S/c1(2-12-22-34-32-24-14-4-8-18-28(24)35-29-19-9-5-15-25(29)32)3-13-23-37-33-26-16-6-10-20-30(26)36-31-21-11-7-17-27(31)33/h4,6,8,10,14,16,18,20H,1-3,5,7,9,11-13,15,17,19,21-23H2,(H,34,35)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	340	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of fetal bovine serum AChE using acetylthiocholine iodide as substrate				Eur J Med Chem 132: 294-309 (2017) Article DOI: 10.1016/j.ejmech.2017.03.062 BindingDB Entry DOI: 10.7270/Q2HX1G33
					More data for this Ligand-Target Pair
Acetylcholinesterase (Bos taurus (bovine))	BDBM50245716 (CHEMBL4084610) Show SMILES CC(=O)N(CCCNc1c2CCCCc2nc2ccccc12)CCNc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C33H39N5O/c1-23(39)38(22-20-35-33-26-13-4-8-17-30(26)37-31-18-9-5-14-27(31)33)21-10-19-34-32-24-11-2-6-15-28(24)36-29-16-7-3-12-25(29)32/h2,4,6,8,11,13,15,17H,3,5,7,9-10,12,14,16,18-22H2,1H3,(H,34,36)(H,35,37)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of fetal bovine serum AChE using acetylthiocholine iodide as substrate				Eur J Med Chem 132: 294-309 (2017) Article DOI: 10.1016/j.ejmech.2017.03.062 BindingDB Entry DOI: 10.7270/Q2HX1G33
					More data for this Ligand-Target Pair
Acetylcholinesterase (Bos taurus (bovine))	BDBM10520 (9-{[7-(1,2,3,4-tetrahydroacridin-9-ylsulfanyl)hept...) Show SMILES C(CCCSc1c2CCCCc2nc2ccccc12)CCCSc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C33H38N2S2/c1(2-12-22-36-32-24-14-4-8-18-28(24)34-29-19-9-5-15-25(29)32)3-13-23-37-33-26-16-6-10-20-30(26)35-31-21-11-7-17-27(31)33/h4,6,8,10,14,16,18,20H,1-3,5,7,9,11-13,15,17,19,21-23H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of fetal bovine serum AChE using acetylthiocholine iodide as substrate				Eur J Med Chem 132: 294-309 (2017) Article DOI: 10.1016/j.ejmech.2017.03.062 BindingDB Entry DOI: 10.7270/Q2HX1G33
					More data for this Ligand-Target Pair