BDBM50134593 CHEMBL3747699

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

InChI Key: InChIKey=VTLGULPGZSNOSU-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 = 50134593   

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))	BDBM50134593 (CHEMBL3747699) Show SMILES Cn1c2nc(NC3CCN(CC3)S(C)(=O)=O)ncc2cc(Oc2ccc(F)cc2F)c1=O Show InChI InChI=1S/C20H21F2N5O4S/c1-26-18-12(9-17(19(26)28)31-16-4-3-13(21)10-15(16)22)11-23-20(25-18)24-14-5-7-27(8-6-14)32(2,29)30/h3-4,9-11,14H,5-8H2,1-2H3,(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	650	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