Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Acetylcholinesterase' and Ligand = 'BDBM50537709'   

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))	BDBM50537709 (CHEMBL4648224) Show SMILES [O-][N+](=O)C1C(Cc2c[nH]cn2)NC2(C1c1ccc(Br)cc1)c1ccccc1-c1nc3ccccc3nc21 Show InChI InChI=1S/C28H21BrN6O2/c29-17-11-9-16(10-12-17)24-26(35(36)37)23(13-18-14-30-15-31-18)34-28(24)20-6-2-1-5-19(20)25-27(28)33-22-8-4-3-7-21(22)32-25/h1-12,14-15,23-24,26,34H,13H2,(H,30,31)	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	1.63E+4	n/a	n/a	n/a	n/a	n/a	n/a
King Saud University Curated by ChEMBL					Assay Description Inhibition of human Protein kinase C epsilon				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2019.126789 BindingDB Entry DOI: 10.7270/Q2NC64QN
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