BDBM50169994 CHEMBL189852::[3H-Benzothiazol-(2Z)-ylidene]-{2-[(pyridin-4-ylmethyl)-amino]-pyrimidin-4-yl}-acetonitrile

SMILES: N#CC(c1nc2ccccc2s1)c1ccnc(NCc2ccncc2)n1

InChI Key: InChIKey=QHPXOPWCQBDGPX-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 = 50169994   

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)	BDBM50169994 (CHEMBL189852 | [3H-Benzothiazol-(2Z)-ylidene]-{2-[...) Show SMILES N#CC(c1nc2ccccc2s1)c1ccnc(NCc2ccncc2)n1 Show InChI InChI=1S/C19H14N6S/c20-11-14(18-24-16-3-1-2-4-17(16)26-18)15-7-10-22-19(25-15)23-12-13-5-8-21-9-6-13/h1-10,14H,12H2,(H,22,23,25)	PDB MMDB KEGG B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	340	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