new BindingDB logo
myBDB logout

BDBM50169967 CHEMBL189223::[3H-Benzothiazol-(2Z)-ylidene]-[2-(2-[1,2,4]triazol-1-yl-ethylamino)-pyrimidin-4-yl]-acetonitrile

SMILES: N#CC(c1nc2ccccc2s1)c1ccnc(NCCn2cncn2)n1

InChI Key: InChIKey=AXEBCVIPELYPGM-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 = 50169967   
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)
BDBM50169967
PNG
(CHEMBL189223 | [3H-Benzothiazol-(2Z)-ylidene]-[2-(...)
Show SMILES N#CC(c1nc2ccccc2s1)c1ccnc(NCCn2cncn2)n1
Show InChI InChI=1S/C17H14N8S/c18-9-12(16-23-14-3-1-2-4-15(14)26-16)13-5-6-20-17(24-13)21-7-8-25-11-19-10-22-25/h1-6,10-12H,7-8H2,(H,20,21,24)
PDB
MMDB

KEGG

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 397n/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