BDBM100558 US8501732, I-118

SMILES: CNC(=O)c1ccc(cc1)C(=O)NCc1c(C(=O)OC)n(-c2ccccc2)c2cc(Cl)ccc2c1=O

InChI Key: InChIKey=FJRXHLLDTDWLED-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 = 100558   

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))	BDBM100558 (US8501732, I-118) Show SMILES CNC(=O)c1ccc(cc1)C(=O)NCc1c(C(=O)OC)n(-c2ccccc2)c2cc(Cl)ccc2c1=O Show InChI InChI=1S/C27H22ClN3O5/c1-29-25(33)16-8-10-17(11-9-16)26(34)30-15-21-23(27(35)36-2)31(19-6-4-3-5-7-19)22-14-18(28)12-13-20(22)24(21)32/h3-14H,15H2,1-2H3,(H,29,33)(H,30,34)	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	11	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