BDBM50134601 CHEMBL3746889

SMILES: Cn1c2nc(NCCCNS(C)(=O)=O)ncc2cc(Oc2ccc(F)cc2F)c1=O

InChI Key: InChIKey=QSLWILMHBLDNFG-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 = 50134601   

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))	BDBM50134601 (CHEMBL3746889) Show SMILES Cn1c2nc(NCCCNS(C)(=O)=O)ncc2cc(Oc2ccc(F)cc2F)c1=O Show InChI InChI=1S/C18H19F2N5O4S/c1-25-16-11(10-22-18(24-16)21-6-3-7-23-30(2,27)28)8-15(17(25)26)29-14-5-4-12(19)9-13(14)20/h4-5,8-10,23H,3,6-7H2,1-2H3,(H,21,22,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.77E+3	n/a	n/a	n/a	n/a	n/a	n/a
Semmelweis University Curated by ChEMBL					Assay Description Inhibition of JNK1 (unknown origin)				Bioorg Med Chem Lett 26: 424-8 (2016) BindingDB Entry DOI: 10.7270/Q24T6M6J
					More data for this Ligand-Target Pair