BDBM50170013 CHEMBL191465::[3H-Benzothiazol-(2Z)-ylidene]-[2-(3-hydroxy-propylamino)-pyrimidin-4-yl]-acetonitrile

SMILES: OCCCNc1nccc(n1)C(C#N)c1nc2ccccc2s1

InChI Key: InChIKey=LQWHGIGYYVLZKW-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 = 50170013   

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)	BDBM50170013 (CHEMBL191465 | [3H-Benzothiazol-(2Z)-ylidene]-[2-(...) Show SMILES OCCCNc1nccc(n1)C(C#N)c1nc2ccccc2s1 Show InChI InChI=1S/C16H15N5OS/c17-10-11(15-20-13-4-1-2-5-14(13)23-15)12-6-8-19-16(21-12)18-7-3-9-22/h1-2,4-6,8,11,22H,3,7,9H2,(H,18,19,21)	PDB MMDB KEGG B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	660	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