BDBM50169980 CHEMBL363254::[3H-Benzothiazol-(2Z)-ylidene]-{2-[2-(1-methyl-1H-imidazol-4-yl)-ethylamino]-pyrimidin-4-yl}-acetonitrile

SMILES: Cn1cnc(CCNc2nccc(n2)C(C#N)c2nc3ccccc3s2)c1

InChI Key: InChIKey=OVSRYNZJXPTZSB-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 = 50169980   

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)	BDBM50169980 (CHEMBL363254 | [3H-Benzothiazol-(2Z)-ylidene]-{2-[...) Show SMILES Cn1cnc(CCNc2nccc(n2)C(C#N)c2nc3ccccc3s2)c1 Show InChI InChI=1S/C19H17N7S/c1-26-11-13(23-12-26)6-8-21-19-22-9-7-15(25-19)14(10-20)18-24-16-4-2-3-5-17(16)27-18/h2-5,7,9,11-12,14H,6,8H2,1H3,(H,21,22,25)	PDB MMDB KEGG B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	65	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