BDBM100556 US8501732, I-116

SMILES: COC(=O)c1c(CNC(=O)c2cnc(s2)N2CCOCC2)c(=O)c2ccc(Cl)cc2n1-c1ccccc1

InChI Key: InChIKey=MNOQIVNQBLTBKJ-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 = 100556   

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))	BDBM100556 (US8501732, I-116) Show SMILES COC(=O)c1c(CNC(=O)c2cnc(s2)N2CCOCC2)c(=O)c2ccc(Cl)cc2n1-c1ccccc1 Show InChI InChI=1S/C26H23ClN4O5S/c1-35-25(34)22-19(14-28-24(33)21-15-29-26(37-21)30-9-11-36-12-10-30)23(32)18-8-7-16(27)13-20(18)31(22)17-5-3-2-4-6-17/h2-8,13,15H,9-12,14H2,1H3,(H,28,33)	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	8	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