Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 463.9 BDBM100459

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))	BDBM100459 (US8501732, I-23) Show SMILES CN(C)C(=O)c1c(CNC(=O)c2cnn(C)c2)c(=O)c2ccc(Cl)cc2n1-c1ccccc1 Show InChI InChI=1S/C24H22ClN5O3/c1-28(2)24(33)21-19(13-26-23(32)15-12-27-29(3)14-15)22(31)18-10-9-16(25)11-20(18)30(21)17-7-5-4-6-8-17/h4-12,14H,13H2,1-3H3,(H,26,32)	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	780	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