Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 573.3 BDBM50490963

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))	BDBM50490963 (CHEMBL2376661) Show SMILES CCS(=O)(=O)Nc1cccc(Oc2cc(F)cc(Nc3ccc(I)cc3F)c2C(N)=O)c1 Show InChI InChI=1S/C21H18F2IN3O4S/c1-2-32(29,30)27-14-4-3-5-15(11-14)31-19-9-12(22)8-18(20(19)21(25)28)26-17-7-6-13(24)10-16(17)23/h3-11,26-27H,2H2,1H3,(H2,25,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
Bayer HealthCare AG Curated by ChEMBL					Assay Description Inhibition of MEK1 (unknown origin) after 2 hrs by fluorescence assay				Bioorg Med Chem Lett 23: 2384-90 (2013) Article DOI: 10.1016/j.bmcl.2013.02.028 BindingDB Entry DOI: 10.7270/Q2Z89GBR
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