BDBM50170004 CHEMBL191536::[3H-Benzothiazol-(2Z)-ylidene]-[2-(4-methoxy-piperidin-1-yl)-pyrimidin-4-yl]-acetonitrile

SMILES: COC1CCN(CC1)c1nccc(n1)C(C#N)c1nc2ccccc2s1

InChI Key: InChIKey=FOKOBIQTUZASFP-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 = 50170004   

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)	BDBM50170004 (CHEMBL191536 | [3H-Benzothiazol-(2Z)-ylidene]-[2-(...) Show SMILES COC1CCN(CC1)c1nccc(n1)C(C#N)c1nc2ccccc2s1 Show InChI InChI=1S/C19H19N5OS/c1-25-13-7-10-24(11-8-13)19-21-9-6-15(23-19)14(12-20)18-22-16-4-2-3-5-17(16)26-18/h2-6,9,13-14H,7-8,10-11H2,1H3	PDB MMDB KEGG B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.20E+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