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 = 'BDBM50513874'   

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))	BDBM50513874 (CHEMBL4476053) Show SMILES COc1n[nH]c2ncc(cc12)-c1cn(nn1)-c1cccc(NS(=O)(=O)c2cccc(Cl)c2)c1 Show InChI InChI=1S/C21H16ClN7O3S/c1-32-21-18-8-13(11-23-20(18)25-26-21)19-12-29(28-24-19)16-6-3-5-15(10-16)27-33(30,31)17-7-2-4-14(22)9-17/h2-12,27H,1H3,(H,23,25,26)	PDB NCI pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	25	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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