BDBM50169996 CHEMBL365191::[3H-Benzothiazol-(2Z)-ylidene]-[2-(2-piperidin-1-yl-ethylamino)-pyrimidin-4-yl]-acetonitrile

SMILES: N#CC(c1nc2ccccc2s1)c1ccnc(NCCN2CCCCC2)n1

InChI Key: InChIKey=HPHXAGWSGAJBMZ-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 = 50169996   

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)	BDBM50169996 (CHEMBL365191 | [3H-Benzothiazol-(2Z)-ylidene]-[2-(...) Show SMILES N#CC(c1nc2ccccc2s1)c1ccnc(NCCN2CCCCC2)n1 Show InChI InChI=1S/C20H22N6S/c21-14-15(19-24-17-6-2-3-7-18(17)27-19)16-8-9-22-20(25-16)23-10-13-26-11-4-1-5-12-26/h2-3,6-9,15H,1,4-5,10-13H2,(H,22,23,25)	PDB MMDB KEGG B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.74E+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