BDBM50169964 CHEMBL370950::[3H-Benzothiazol-(2Z)-ylidene]-(2-phenethylamino-pyrimidin-4-yl)-acetonitrile

SMILES: N#CC(c1nc2ccccc2s1)c1ccnc(NCCc2ccccc2)n1

InChI Key: InChIKey=SCKGBURIWVFYFI-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 = 50169964   

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)	BDBM50169964 (CHEMBL370950 | [3H-Benzothiazol-(2Z)-ylidene]-(2-p...) Show SMILES N#CC(c1nc2ccccc2s1)c1ccnc(NCCc2ccccc2)n1 Show InChI InChI=1S/C21H17N5S/c22-14-16(20-25-18-8-4-5-9-19(18)27-20)17-11-13-24-21(26-17)23-12-10-15-6-2-1-3-7-15/h1-9,11,13,16H,10,12H2,(H,23,24,26)	PDB MMDB KEGG B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>5.00E+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