Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Acetylcholinesterase' and Ligand = 'BDBM50389614'   

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))	BDBM50389614 (CHEMBL2069769 | CHEMBL2069791) Show SMILES Cc1ccc(cc1)N1Oc2c(O)n(c(O)c2[C@@H]1c1cccc(Cl)c1)-c1ccc(cc1)C(O)=O |r| Show InChI InChI=1S/C25H19ClN2O5/c1-14-5-9-19(10-6-14)28-21(16-3-2-4-17(26)13-16)20-22(33-28)24(30)27(23(20)29)18-11-7-15(8-12-18)25(31)32/h2-13,21,29-30H,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	22.2	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))	BDBM50389614 (CHEMBL2069769 | CHEMBL2069791) Show SMILES Cc1ccc(cc1)N1Oc2c(O)n(c(O)c2[C@@H]1c1cccc(Cl)c1)-c1ccc(cc1)C(O)=O |r| Show InChI InChI=1S/C25H19ClN2O5/c1-14-5-9-19(10-6-14)28-21(16-3-2-4-17(26)13-16)20-22(33-28)24(30)27(23(20)29)18-11-7-15(8-12-18)25(31)32/h2-13,21,29-30H,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	23.8	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