Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 413.4 BDBM50176590

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 1 hit in this display   

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))	BDBM50176590 (CHEMBL201780 | ethyl 3-cyano-5-methyl-4-(4-phenoxy...) Show SMILES CCOC(=O)c1cn2ncc(C#N)c(Oc3ccc(Oc4ccccc4)cc3)c2c1C Show InChI InChI=1S/C24H19N3O4/c1-3-29-24(28)21-15-27-22(16(21)2)23(17(13-25)14-26-27)31-20-11-9-19(10-12-20)30-18-7-5-4-6-8-18/h4-12,14-15H,3H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	5.42E+3	n/a	n/a	n/a	n/a	n/a	n/a
Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibitory activity against MEK				Bioorg Med Chem Lett 16: 628-32 (2005) Article DOI: 10.1016/j.bmcl.2005.10.052 BindingDB Entry DOI: 10.7270/Q2J67GHT
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