Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 481.3 BDBM100588

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
Mitogen-activated protein kinase 8 (Homo sapiens (Human))	BDBM100588 (US8501732, I-148) Show SMILES COC(=O)c1c(CNC(=O)c2ccccc2Cl)c(=O)c2ccc(Cl)cc2n1-c1ccccc1 Show InChI InChI=1S/C25H18Cl2N2O4/c1-33-25(32)22-19(14-28-24(31)17-9-5-6-10-20(17)27)23(30)18-12-11-15(26)13-21(18)29(22)16-7-3-2-4-8-16/h2-13H,14H2,1H3,(H,28,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	430	n/a	n/a	n/a	n/a	n/a	n/a
Hoffmann-La Roche Inc. US Patent					Assay Description In vitro JNK1 assay.				US Patent US8501732 (2013) BindingDB Entry DOI: 10.7270/Q2RF5SP9
					More data for this Ligand-Target Pair