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 = 'BDBM50466038'   

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))	BDBM50466038 (CHEMBL4281823) Show SMILES CCn1cc(-c2ccc3N(CCc3c2)C(=O)Cc2cccc(OC(F)(F)F)c2)c2c(N)ncnc12 Show InChI InChI=1S/C25H22F3N5O2/c1-2-32-13-19(22-23(29)30-14-31-24(22)32)16-6-7-20-17(12-16)8-9-33(20)21(34)11-15-4-3-5-18(10-15)35-25(26,27)28/h3-7,10,12-14H,2,8-9,11H2,1H3,(H2,29,30,31)	PDB NCI pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	457	n/a	n/a	n/a	n/a	n/a	n/a
Sichuan University/Collaborative Innovation Center of Biotherapy Curated by ChEMBL					Assay Description Inhibition of recombinant full length human ZAK using MBP as substrate after 40 mins in presence of [gamma-33P]-ATP by scintillation counting analysi...				J Med Chem 61: 11398-11414 (2018) Article DOI: 10.1021/acs.jmedchem.8b01652 BindingDB Entry DOI: 10.7270/Q2377CDJ
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