Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Dual specificity mitogen-activated protein kinase kinase 1' and Ligand = 'BDBM50132263'   

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
Dual specificity mitogen-activated protein kinase kinase 1 (Homo sapiens (Human))	BDBM50132263 (4-[3-Chloro-4-(thiazol-2-ylsulfanyl)-phenylamino]-...) Show SMILES COc1cc2c(Nc3ccc(Sc4nccs4)c(Cl)c3)c(cnc2cc1OCCCN1CCOCC1)C#N Show InChI InChI=1S/C27H26ClN5O3S2/c1-34-23-14-20-22(15-24(23)36-9-2-6-33-7-10-35-11-8-33)31-17-18(16-29)26(20)32-19-3-4-25(21(28)13-19)38-27-30-5-12-37-27/h3-5,12-15,17H,2,6-11H2,1H3,(H,31,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibitory concentration of the compound against Mitogen activated protein kinase kinase kinase 1 was determined using Raf/MEK1 coupled assay				Bioorg Med Chem Lett 13: 3031-4 (2003) BindingDB Entry DOI: 10.7270/Q2P84B8T
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