Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 520.4 BDBM100598

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))	BDBM100598 (US8501732, I-158) Show SMILES COC(=O)c1c(CNC(=O)c2ccc3cc[nH]c3c2)c(=O)c2ccc(nc2n1-c1ccccc1)C(F)(F)F Show InChI InChI=1S/C27H19F3N4O4/c1-38-26(37)22-19(14-32-25(36)16-8-7-15-11-12-31-20(15)13-16)23(35)18-9-10-21(27(28,29)30)33-24(18)34(22)17-5-3-2-4-6-17/h2-13,31H,14H2,1H3,(H,32,36)	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	79	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
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