Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Acetylcholinesterase' and Ligand = 'BDBM50389629'   

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 (Rattus norvegicus (rat))	BDBM50389629 (CHEMBL2069645 | CHEMBL2069776) Show SMILES OC(=O)c1ccc(cc1)-n1c(O)c2ON([C@H](c2c1O)c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C24H18N2O5/c27-22-19-20(15-7-3-1-4-8-15)26(18-9-5-2-6-10-18)31-21(19)23(28)25(22)17-13-11-16(12-14-17)24(29)30/h1-14,20,27-28H,(H,29,30)/t20-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	23.9	n/a	n/a	n/a	n/a	n/a	n/a
Punjabi University Curated by ChEMBL					Assay Description Inhibition of AChE activity in rat brain homogenate using acetylthiocholine as substrate by Ellman's method				Bioorg Med Chem 20: 521-30 (2011) Article DOI: 10.1016/j.bmc.2011.05.027 BindingDB Entry DOI: 10.7270/Q22B903F
					More data for this Ligand-Target Pair
Acetylcholinesterase (Rattus norvegicus (rat))	BDBM50389629 (CHEMBL2069645 | CHEMBL2069776) Show SMILES OC(=O)c1ccc(cc1)-n1c(O)c2ON([C@H](c2c1O)c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C24H18N2O5/c27-22-19-20(15-7-3-1-4-8-15)26(18-9-5-2-6-10-18)31-21(19)23(28)25(22)17-13-11-16(12-14-17)24(29)30/h1-14,20,27-28H,(H,29,30)/t20-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	24.4	n/a	n/a	n/a	n/a	n/a	n/a
Punjabi University Curated by ChEMBL					Assay Description Inhibition of AChE activity in rat brain homogenate using acetylthiocholine as substrate by Ellman's method				Bioorg Med Chem 20: 521-30 (2011) Article DOI: 10.1016/j.bmc.2011.05.027 BindingDB Entry DOI: 10.7270/Q22B903F
					More data for this Ligand-Target Pair