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 = 'BDBM402212'   

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))	BDBM402212 (1-(4-(8-(2-chloro-4-((6-(hydroxymethyl)pyridin-2- ...) Show SMILES Cc1nc2cnc3cc(F)c(cc3c2n1C1CCN(CC1)C(=O)CO)-c1ccc(Oc2nccc(CO)n2)cc1Cl Show InChI InChI=1S/C29H26ClFN6O4/c1-16-34-26-13-33-25-12-24(31)21(11-22(25)28(26)37(16)18-5-8-36(9-6-18)27(40)15-39)20-3-2-19(10-23(20)30)41-29-32-7-4-17(14-38)35-29/h2-4,7,10-13,18,38-39H,5-6,8-9,14-15H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Astellas Pharma Inc.					Assay Description [MEK1 1mM ATP IC50 uM] A BRAF-MEK-ERK cascade assay is used to evaluate the effects of these compounds as inhibitors of the MAP kinase pathway. An en...				Bioorg Med Chem 17: 3130-41 (2009) BindingDB Entry DOI: 10.7270/Q2W37ZNG
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