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 = 'BDBM50513873'   

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))	BDBM50513873 (CHEMBL4457930) Show SMILES COc1n[nH]c2ncc(cc12)-c1cn(nn1)-c1cc(NS(=O)(=O)c2cccc(Cl)c2)ccc1F Show InChI InChI=1S/C21H15ClFN7O3S/c1-33-21-16-7-12(10-24-20(16)26-27-21)18-11-30(29-25-18)19-9-14(5-6-17(19)23)28-34(31,32)15-4-2-3-13(22)8-15/h2-11,28H,1H3,(H,24,26,27)	PDB NCI pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.70	n/a	n/a	n/a	n/a	n/a	n/a
Jinan University 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 63: 2114-2130 (2020) Article DOI: 10.1021/acs.jmedchem.9b00664 BindingDB Entry DOI: 10.7270/Q2JD514T
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