BDBM100552 US8501732, I-112

SMILES: COC(=O)c1c(CNC(=O)c2ccc(nc2)N2CCOCC2)c(=O)c2ccc(Cl)cc2n1-c1ccccc1

InChI Key: InChIKey=SAHIBVRRTCRUMI-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 = 100552   

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))	BDBM100552 (US8501732, I-112) Show SMILES COC(=O)c1c(CNC(=O)c2ccc(nc2)N2CCOCC2)c(=O)c2ccc(Cl)cc2n1-c1ccccc1 Show InChI InChI=1S/C28H25ClN4O5/c1-37-28(36)25-22(17-31-27(35)18-7-10-24(30-16-18)32-11-13-38-14-12-32)26(34)21-9-8-19(29)15-23(21)33(25)20-5-3-2-4-6-20/h2-10,15-16H,11-14,17H2,1H3,(H,31,35)	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	6	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