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BDBM50170001 CHEMBL364637::[3H-Benzothiazol-(2Z)-ylidene]-[2-(2-pyridin-2-yl-ethylamino)-pyrimidin-4-yl]-acetonitrile

SMILES: N#CC(c1nc2ccccc2s1)c1ccnc(NCCc2ccccn2)n1

InChI Key: InChIKey=WPXFUHJHFHCRGY-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50170001   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
c-Jun N-terminal kinase 3


(Rattus norvegicus)
BDBM50170001
PNG
(CHEMBL364637 | [3H-Benzothiazol-(2Z)-ylidene]-[2-(...)
Show SMILES N#CC(c1nc2ccccc2s1)c1ccnc(NCCc2ccccn2)n1
Show InChI InChI=1S/C20H16N6S/c21-13-15(19-25-17-6-1-2-7-18(17)27-19)16-9-12-24-20(26-16)23-11-8-14-5-3-4-10-22-14/h1-7,9-10,12,15H,8,11H2,(H,23,24,26)
PDB
MMDB

KEGG

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 250n/an/an/an/an/an/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