BDBM100439 US8501732, I-3

SMILES: Clc1ccc2c(c1)n(-c1ccccc1)c(-c1ncco1)c(CNC(=O)c1ccc(nc1)N1CCOCC1)c2=O

InChI Key: InChIKey=YSSGKXGRTUZILS-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 = 100439   

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))	BDBM100439 (US8501732, I-3) Show SMILES Clc1ccc2c(c1)n(-c1ccccc1)c(-c1ncco1)c(CNC(=O)c1ccc(nc1)N1CCOCC1)c2=O Show InChI InChI=1S/C29H24ClN5O4/c30-20-7-8-22-24(16-20)35(21-4-2-1-3-5-21)26(29-31-10-13-39-29)23(27(22)36)18-33-28(37)19-6-9-25(32-17-19)34-11-14-38-15-12-34/h1-10,13,16-17H,11-12,14-15,18H2,(H,33,37)	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	9	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