Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 509.0 BDBM100533

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))	BDBM100533 (US8501732, I-93) Show SMILES OCC1CCN(CC1)c1ncc(s1)C(=O)NCc1cn(-c2ccccc2)c2cc(Cl)ccc2c1=O Show InChI InChI=1S/C26H25ClN4O3S/c27-19-6-7-21-22(12-19)31(20-4-2-1-3-5-20)15-18(24(21)33)13-28-25(34)23-14-29-26(35-23)30-10-8-17(16-32)9-11-30/h1-7,12,14-15,17,32H,8-11,13,16H2,(H,28,34)	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	33	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