BDBM50170005 CHEMBL189421::[3H-Benzothiazol-(2Z)-ylidene]-{2-[2-(3-fluoro-phenyl)-ethylamino]-pyrimidin-4-yl}-acetonitrile

SMILES: Fc1cccc(CCNc2nccc(n2)C(C#N)c2nc3ccccc3s2)c1

InChI Key: InChIKey=GNEMZUODUVZVIF-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 = 50170005   

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)	BDBM50170005 (CHEMBL189421 | [3H-Benzothiazol-(2Z)-ylidene]-{2-[...) Show SMILES Fc1cccc(CCNc2nccc(n2)C(C#N)c2nc3ccccc3s2)c1 Show InChI InChI=1S/C21H16FN5S/c22-15-5-3-4-14(12-15)8-10-24-21-25-11-9-17(27-21)16(13-23)20-26-18-6-1-2-7-19(18)28-20/h1-7,9,11-12,16H,8,10H2,(H,24,25,27)	PDB MMDB KEGG B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.81E+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