Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cholinesterase' and Ligand = 'BDBM50537711'   

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
Cholinesterase (Homo sapiens (Human))	BDBM50537711 (CHEMBL4644961) Show SMILES Cc1ccccc1C1C(C(Cc2c[nH]cn2)NC11c2ccccc2-c2nc3ccccc3nc12)[N+]([O-])=O Show InChI InChI=1S/C29H24N6O2/c1-17-8-2-3-9-19(17)25-27(35(36)37)24(14-18-15-30-16-31-18)34-29(25)21-11-5-4-10-20(21)26-28(29)33-23-13-7-6-12-22(23)32-26/h2-13,15-16,24-25,27,34H,14H2,1H3,(H,30,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.38E+4	n/a	n/a	n/a	n/a	n/a	n/a
King Saud University Curated by ChEMBL					Assay Description Inhibition of 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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