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BDBM50169999 CHEMBL371113::[3H-Benzothiazol-(2Z)-ylidene]-{2-[2-(3-methyl-3H-imidazol-4-yl)-ethylamino]-pyrimidin-4-yl}-acetonitrile

SMILES: Cn1cncc1CCNc1nccc(n1)C(C#N)c1nc2ccccc2s1

InChI Key: InChIKey=RIMQLZSCJYYTPV-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50169999   
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)
BDBM50169999
PNG
(CHEMBL371113 | [3H-Benzothiazol-(2Z)-ylidene]-{2-[...)
Show SMILES Cn1cncc1CCNc1nccc(n1)C(C#N)c1nc2ccccc2s1
Show InChI InChI=1S/C19H17N7S/c1-26-12-21-11-13(26)6-8-22-19-23-9-7-15(25-19)14(10-20)18-24-16-4-2-3-5-17(16)27-18/h2-5,7,9,11-12,14H,6,8H2,1H3,(H,22,23,25)
PDB
MMDB

KEGG

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 143n/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