BDBM100559 US8501732, I-119

SMILES: COC(=O)c1c(CNC(=O)c2cnn(Cc3ccccc3)c2)c(=O)c2ccc(Cl)cc2n1-c1ccccc1

InChI Key: InChIKey=NVUDSFCPEWOBNK-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 = 100559   

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))	BDBM100559 (US8501732, I-119) Show SMILES COC(=O)c1c(CNC(=O)c2cnn(Cc3ccccc3)c2)c(=O)c2ccc(Cl)cc2n1-c1ccccc1 Show InChI InChI=1S/C29H23ClN4O4/c1-38-29(37)26-24(16-31-28(36)20-15-32-33(18-20)17-19-8-4-2-5-9-19)27(35)23-13-12-21(30)14-25(23)34(26)22-10-6-3-7-11-22/h2-15,18H,16-17H2,1H3,(H,31,36)	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	13	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