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BDBM50169998 CHEMBL191581::CHEMBL254651::[3H-Benzothiazol-(2Z)-ylidene]-{2-[2-(1H-imidazol-4-yl)-ethylamino]-pyrimidin-4-yl}-acetonitrile

SMILES: N#CC(c1nc2ccccc2s1)c1ccnc(NCCc2cnc[nH]2)n1

InChI Key: InChIKey=ZXQRSRUXXGBKRC-UHFFFAOYSA-N

Data: 2 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50169998   
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)
BDBM50169998
PNG
(CHEMBL191581 | CHEMBL254651 | [3H-Benzothiazol-(2Z...)
Show SMILES N#CC(c1nc2ccccc2s1)c1ccnc(NCCc2cnc[nH]2)n1
Show InChI InChI=1S/C18H15N7S/c19-9-13(17-24-15-3-1-2-4-16(15)26-17)14-6-8-22-18(25-14)21-7-5-12-10-20-11-23-12/h1-4,6,8,10-11,13H,5,7H2,(H,20,23)(H,21,22,25)
PDB
MMDB

KEGG

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

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
Mitogen-activated protein kinase 10


(Homo sapiens (Human))
BDBM50169998
PNG
(CHEMBL191581 | CHEMBL254651 | [3H-Benzothiazol-(2Z...)
Show SMILES N#CC(c1nc2ccccc2s1)c1ccnc(NCCc2cnc[nH]2)n1
Show InChI InChI=1S/C18H15N7S/c19-9-13(17-24-15-3-1-2-4-16(15)26-17)14-6-8-22-18(25-14)21-7-5-12-10-20-11-23-12/h1-4,6,8,10-11,13H,5,7H2,(H,20,23)(H,21,22,25)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 70n/an/an/an/an/an/a



Aureus Pharma

Curated by ChEMBL


Assay Description
Inhibition of JNK3


Bioorg Med Chem 15: 4256-64 (2007)


Article DOI: 10.1016/j.bmc.2007.03.062
BindingDB Entry DOI: 10.7270/Q2T43SSD
More data for this
Ligand-Target Pair