BDBM50170017 CHEMBL189841::[3H-Benzothiazol-(2Z)-ylidene]-[2-(3-imidazol-1-yl-propylamino)-pyrimidin-4-yl]-acetonitrile

SMILES: N#CC(c1nc2ccccc2s1)c1ccnc(NCCCn2ccnc2)n1

InChI Key: InChIKey=MRTFHTIQARUYFQ-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 = 50170017   

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)	BDBM50170017 (CHEMBL189841 | [3H-Benzothiazol-(2Z)-ylidene]-[2-(...) Show SMILES N#CC(c1nc2ccccc2s1)c1ccnc(NCCCn2ccnc2)n1 Show InChI InChI=1S/C19H17N7S/c20-12-14(18-24-16-4-1-2-5-17(16)27-18)15-6-8-23-19(25-15)22-7-3-10-26-11-9-21-13-26/h1-2,4-6,8-9,11,13-14H,3,7,10H2,(H,22,23,25)	PDB MMDB KEGG B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	147	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