BDBM50412093 CHEMBL495406

SMILES: CS(=O)(=O)c1ccc(CNC(=O)c2cc(N)c(C#N)c(OCCC(O)=O)n2)cc1

InChI Key: InChIKey=BYFMJHVTTBQSMJ-UHFFFAOYSA-N

Data: 1 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50412093   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/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))	BDBM50412093 (CHEMBL495406) Show SMILES CS(=O)(=O)c1ccc(CNC(=O)c2cc(N)c(C#N)c(OCCC(O)=O)n2)cc1 Show InChI InChI=1S/C18H18N4O6S/c1-29(26,27)12-4-2-11(3-5-12)10-21-17(25)15-8-14(20)13(9-19)18(22-15)28-7-6-16(23)24/h2-5,8H,6-7,10H2,1H3,(H2,20,22)(H,21,25)(H,23,24)	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	1.64E+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