BDBM50134602 CHEMBL3747489

SMILES: Cn1c2nc(NC3CCN(CC3)S(N)(=O)=O)ncc2cc(Oc2ccc(F)cc2F)c1=O

InChI Key: InChIKey=MIRPOEPPAAEKAX-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 = 50134602   

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))	BDBM50134602 (CHEMBL3747489) Show SMILES Cn1c2nc(NC3CCN(CC3)S(N)(=O)=O)ncc2cc(Oc2ccc(F)cc2F)c1=O Show InChI InChI=1S/C19H20F2N6O4S/c1-26-17-11(8-16(18(26)28)31-15-3-2-12(20)9-14(15)21)10-23-19(25-17)24-13-4-6-27(7-5-13)32(22,29)30/h2-3,8-10,13H,4-7H2,1H3,(H2,22,29,30)(H,23,24,25)	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	910	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