Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Acetylcholinesterase' and Ligand = 'BDBM50537717'   

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))	BDBM50537717 (CHEMBL4632994) Show SMILES [O-][N+](=O)C1C(Cc2c[nH]cn2)NC2(C1c1ccco1)c1ccccc1-c1nc3ccccc3nc21 Show InChI InChI=1S/C26H20N6O3/c33-32(34)24-20(12-15-13-27-14-28-15)31-26(22(24)21-10-5-11-35-21)17-7-2-1-6-16(17)23-25(26)30-19-9-4-3-8-18(19)29-23/h1-11,13-14,20,22,24,31H,12H2,(H,27,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.42E+4	n/a	n/a	n/a	n/a	n/a	n/a
King Saud University Curated by ChEMBL					Assay Description Inhibition Protein kinase C gamma				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2019.126789 BindingDB Entry DOI: 10.7270/Q2NC64QN
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