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BDBM50170008 CHEMBL372708::{2-[2-(4-Amino-phenyl)-ethylamino]-pyrimidin-4-yl}-[3H-benzothiazol-(2Z)-ylidene]-acetonitrile

SMILES: Nc1ccc(CCNc2nccc(n2)C(C#N)c2nc3ccccc3s2)cc1

InChI Key: InChIKey=PYGYNJXSCBKNBG-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50170008   
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)
BDBM50170008
PNG
(CHEMBL372708 | {2-[2-(4-Amino-phenyl)-ethylamino]-...)
Show SMILES Nc1ccc(CCNc2nccc(n2)C(C#N)c2nc3ccccc3s2)cc1
Show InChI InChI=1S/C21H18N6S/c22-13-16(20-26-18-3-1-2-4-19(18)28-20)17-10-12-25-21(27-17)24-11-9-14-5-7-15(23)8-6-14/h1-8,10,12,16H,9,11,23H2,(H,24,25,27)
PDB
MMDB

KEGG

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 80n/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