Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 431.5 BDBM50412095

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))	BDBM50412095 (CHEMBL495459) Show SMILES CC(C)[C@H](CO)Nc1nc(cc(N)c1C#N)C(=O)NCc1ccc(cc1)S(C)(=O)=O Show InChI InChI=1S/C20H25N5O4S/c1-12(2)18(11-26)25-19-15(9-21)16(22)8-17(24-19)20(27)23-10-13-4-6-14(7-5-13)30(3,28)29/h4-8,12,18,26H,10-11H2,1-3H3,(H,23,27)(H3,22,24,25)/t18-/m0/s1	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	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of JNK1				Eur J Med Chem 43: 604-13 (2008) Article DOI: 10.1016/j.ejmech.2007.04.020 BindingDB Entry DOI: 10.7270/Q2T43V9Z
					More data for this Ligand-Target Pair