Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Acetylcholinesterase' and Ligand = 'BDBM50389617'   

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))	BDBM50389617 (CHEMBL2069766 | CHEMBL2069788) Show SMILES Cc1ccc(cc1)N1Oc2c(O)n(c(O)c2[C@@H]1c1ccccc1O)-c1ccc(cc1)C(O)=O |r| Show InChI InChI=1S/C25H20N2O6/c1-14-6-10-17(11-7-14)27-21(18-4-2-3-5-19(18)28)20-22(33-27)24(30)26(23(20)29)16-12-8-15(9-13-16)25(31)32/h2-13,21,28-30H,1H3,(H,31,32)/t21-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	23.2	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))	BDBM50389617 (CHEMBL2069766 | CHEMBL2069788) Show SMILES Cc1ccc(cc1)N1Oc2c(O)n(c(O)c2[C@@H]1c1ccccc1O)-c1ccc(cc1)C(O)=O |r| Show InChI InChI=1S/C25H20N2O6/c1-14-6-10-17(11-7-14)27-21(18-4-2-3-5-19(18)28)20-22(33-27)24(30)26(23(20)29)16-12-8-15(9-13-16)25(31)32/h2-13,21,28-30H,1H3,(H,31,32)/t21-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	24.1	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