BDBM50170001 CHEMBL364637::[3H-Benzothiazol-(2Z)-ylidene]-[2-(2-pyridin-2-yl-ethylamino)-pyrimidin-4-yl]-acetonitrile

SMILES: N#CC(c1nc2ccccc2s1)c1ccnc(NCCc2ccccn2)n1

InChI Key: InChIKey=WPXFUHJHFHCRGY-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 = 50170001   

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)	BDBM50170001 (CHEMBL364637 | [3H-Benzothiazol-(2Z)-ylidene]-[2-(...) Show SMILES N#CC(c1nc2ccccc2s1)c1ccnc(NCCc2ccccn2)n1 Show InChI InChI=1S/C20H16N6S/c21-13-15(19-25-17-6-1-2-7-18(17)27-19)16-9-12-24-20(26-16)23-11-8-14-5-3-4-10-22-14/h1-7,9-10,12,15H,8,11H2,(H,23,24,26)	PDB MMDB KEGG B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	250	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