Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Acetylcholinesterase' and Ligand = 'BDBM50537714'   

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))	BDBM50537714 (CHEMBL4642959) Show SMILES COc1ccccc1C1C(C(Cc2c[nH]cn2)NC11c2ccccc2-c2nc3ccccc3nc12)[N+]([O-])=O Show InChI InChI=1S/C29H24N6O3/c1-38-24-13-7-3-9-19(24)25-27(35(36)37)23(14-17-15-30-16-31-17)34-29(25)20-10-4-2-8-18(20)26-28(29)33-22-12-6-5-11-21(22)32-26/h2-13,15-16,23,25,27,34H,14H2,1H3,(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	5.22E+3	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 beta 1				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2019.126789 BindingDB Entry DOI: 10.7270/Q2NC64QN
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