Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Acetylcholinesterase' and Ligand = 'BDBM50430671'   

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 (Homo sapiens (Human))	BDBM50430671 (CHEMBL2332530) Show SMILES Cc1ccc(\C=C2/CN(C[C@@]3(C[C@H]4CCCN4[C@@]33C(=O)Nc4ccccc34)C2=O)C(=O)C[C@H]2C[C@H]3CCCN3[C@]22C(=O)Nc3ccccc23)cc1 |r| Show InChI InChI=1S/C42H43N5O4/c1-26-14-16-27(17-15-26)20-28-24-45(36(48)22-29-21-30-8-6-18-46(30)41(29)32-10-2-4-12-34(32)43-38(41)50)25-40(37(28)49)23-31-9-7-19-47(31)42(40)33-11-3-5-13-35(33)44-39(42)51/h2-5,10-17,20,29-31H,6-9,18-19,21-25H2,1H3,(H,43,50)(H,44,51)/b28-20+/t29-,30-,31-,40+,41-,42+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.96E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universiti Sains Malaysia Curated by ChEMBL					Assay Description Inhibition of AChE (unknown origin) using acetylthiocholine iodide substrate by Ellman's method based spectrophotometry				Bioorg Med Chem 21: 1696-707 (2013) Article DOI: 10.1016/j.bmc.2013.01.066 BindingDB Entry DOI: 10.7270/Q2RJ4KVQ
					More data for this Ligand-Target Pair