Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 420.4 BDBM50422601

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))	BDBM50422601 (CHEMBL189902) Show SMILES COc1ccc(OC)c(CNc2[nH]nc3ccc(c(Oc4ccccc4)c23)[N+]([O-])=O)c1 Show InChI InChI=1S/C22H20N4O5/c1-29-16-8-11-19(30-2)14(12-16)13-23-22-20-17(24-25-22)9-10-18(26(27)28)21(20)31-15-6-4-3-5-7-15/h3-12H,13H2,1-2H3,(H2,23,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	794	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Negative log of inhibitiory concentration determined against c-Jun N-terminal kinase (Activity reported against the isolated JNK-1 enzyme)				Bioorg Med Chem Lett 15: 3459-62 (2005) Article DOI: 10.1016/j.bmcl.2005.05.008 BindingDB Entry DOI: 10.7270/Q2QC04SW
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