BDBM50170016 CHEMBL190597::[3H-Benzothiazol-(2Z)-ylidene]-[2-(2-hydroxy-ethylamino)-pyrimidin-4-yl]-acetonitrile

SMILES: OCCNc1nccc(n1)C(C#N)c1nc2ccccc2s1

InChI Key: InChIKey=WPNCEEINDOKBFX-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 = 50170016   

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)	BDBM50170016 (CHEMBL190597 | [3H-Benzothiazol-(2Z)-ylidene]-[2-(...) Show SMILES OCCNc1nccc(n1)C(C#N)c1nc2ccccc2s1 Show InChI InChI=1S/C15H13N5OS/c16-9-10(11-5-6-17-15(20-11)18-7-8-21)14-19-12-3-1-2-4-13(12)22-14/h1-6,10,21H,7-8H2,(H,17,18,20)	PDB MMDB KEGG B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	510	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