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 = 'BDBM50513877'   

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))	BDBM50513877 (CHEMBL4579609) Show SMILES COc1n[nH]c2ncc(cc12)-c1cn(nn1)-c1c(F)ccc(NS(=O)(=O)c2cccc(c2)C#N)c1F Show InChI InChI=1S/C22H14F2N8O3S/c1-35-22-15-8-13(10-26-21(15)28-29-22)18-11-32(31-27-18)20-16(23)5-6-17(19(20)24)30-36(33,34)14-4-2-3-12(7-14)9-25/h2-8,10-11,30H,1H3,(H,26,28,29)	PDB NCI pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.30	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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