Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Mitogen-activated protein kinase kinase kinase 20' and Ligand = 'BDBM50268017'   

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
Mitogen-activated protein kinase kinase kinase 20 (Homo sapiens (Human))	BDBM50268017 (CHEMBL4088739) Show SMILES COc1n[nH]c2ncc(cc12)C#Cc1c(F)ccc(NS(=O)(=O)c2cccc(Cl)c2Cl)c1F Show InChI InChI=1S/C21H12Cl2F2N4O3S/c1-32-21-13-9-11(10-26-20(13)27-28-21)5-6-12-15(24)7-8-16(19(12)25)29-33(30,31)17-4-2-3-14(22)18(17)23/h2-4,7-10,29H,1H3,(H,26,27,28)	PDB NCI pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	9.60	n/a	n/a	n/a	n/a	n/a	n/a
State Key Laboratory of Quality Research in Chinese Medicine, Institute of Chinese Medical Sciences, University of Macau , Macao, China. Curated by ChEMBL					Assay Description Inhibition of N-terminal GST-tagged recombinant human full-length ZAK expressed in baculovirus infected Sf9 insect cells using MBP as substrate after...				J Med Chem 60: 5927-5932 (2017) Article DOI: 10.1021/acs.jmedchem.7b00572 BindingDB Entry DOI: 10.7270/Q29G5Q9V
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