BDBM50170011 CHEMBL370960::[3H-Benzothiazol-(2Z)-ylidene]-{2-[methyl-(3-methylamino-propyl)-amino]-pyrimidin-4-yl}-acetonitrile

SMILES: CNCCCN(C)c1nccc(n1)C(C#N)c1nc2ccccc2s1

InChI Key: InChIKey=ZRTDSSWIGWICQK-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 = 50170011   

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
c-Jun N-terminal kinase 3 (Rattus norvegicus)	BDBM50170011 (CHEMBL370960 | [3H-Benzothiazol-(2Z)-ylidene]-{2-[...) Show SMILES CNCCCN(C)c1nccc(n1)C(C#N)c1nc2ccccc2s1 Show InChI InChI=1S/C18H20N6S/c1-20-9-5-11-24(2)18-21-10-8-14(23-18)13(12-19)17-22-15-6-3-4-7-16(15)25-17/h3-4,6-8,10,13,20H,5,9,11H2,1-2H3	PDB MMDB KEGG B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.32E+3	n/a	n/a	n/a	n/a	n/a	n/a
Serono Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of rat c-Jun N-terminal kinase 3				J Med Chem 48: 4596-607 (2005) Article DOI: 10.1021/jm0310986 BindingDB Entry DOI: 10.7270/Q2K9389G
					More data for this Ligand-Target Pair