BDBM50134603 CHEMBL3745734

SMILES: CN1CCN(CC1)c1ccc(Nc2ncc3cc(Oc4ccc(F)cc4F)c(=O)n(C)c3n2)cc1

InChI Key: InChIKey=GKYFOENZCDZOCY-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 = 50134603   

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))	BDBM50134603 (CHEMBL3745734) Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc3cc(Oc4ccc(F)cc4F)c(=O)n(C)c3n2)cc1 Show InChI InChI=1S/C25H24F2N6O2/c1-31-9-11-33(12-10-31)19-6-4-18(5-7-19)29-25-28-15-16-13-22(24(34)32(2)23(16)30-25)35-21-8-3-17(26)14-20(21)27/h3-8,13-15H,9-12H2,1-2H3,(H,28,29,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	3.34E+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