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 = 'BDBM28122'   

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))	BDBM28122 (3-cyanoquinoline, 7 | 6-methoxy-4-({4-[(1-methyl-1...) Show SMILES COc1cc2c(Nc3ccc(Sc4nccn4C)cc3)c(cnc2cc1OCCCN1CCOCC1)C#N Show InChI InChI=1S/C28H30N6O3S/c1-33-10-8-30-28(33)38-22-6-4-21(5-7-22)32-27-20(18-29)19-31-24-17-26(25(35-2)16-23(24)27)37-13-3-9-34-11-14-36-15-12-34/h4-8,10,16-17,19H,3,9,11-15H2,1-2H3,(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	5	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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