Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Mitogen-activated protein kinase kinase kinase 5' and Ligand = 'BDBM50431321'   

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 5 (Homo sapiens (Human))	BDBM50431321 (CHEMBL2348839) Show SMILES OC(=O)CCCN1C(=S)S\C(=C/c2ccc(o2)-c2c(Cl)cccc2Cl)C1=O Show InChI InChI=1S/C18H13Cl2NO4S2/c19-11-3-1-4-12(20)16(11)13-7-6-10(25-13)9-14-17(24)21(18(26)27-14)8-2-5-15(22)23/h1,3-4,6-7,9H,2,5,8H2,(H,22,23)/b14-9-	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	500	n/a	n/a	n/a	n/a	n/a	n/a
NAS of Ukraine Curated by ChEMBL					Assay Description Inhibition of human ASK1 using MBP as substrate incubated for 10 mins prior to ATP addition measured after 20 mins by liquid scintillation counting a...				Eur J Med Chem 61: 104-15 (2013) Article DOI: 10.1016/j.ejmech.2012.09.022 BindingDB Entry DOI: 10.7270/Q2FX7BTH
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