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 = 'BDBM50268011'   

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))	BDBM50268011 (CHEMBL4069195) Show SMILES COc1n[nH]c2ncc(cc12)C#Cc1c(F)ccc(NS(=O)(=O)c2ccc(Cl)cc2)c1F Show InChI InChI=1S/C21H13ClF2N4O3S/c1-31-21-16-10-12(11-25-20(16)26-27-21)2-7-15-17(23)8-9-18(19(15)24)28-32(29,30)14-5-3-13(22)4-6-14/h3-6,8-11,28H,1H3,(H,25,26,27)	PDB NCI pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	17	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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