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BDBM50169985 4-(2-(4-(benzo[d]thiazol-2(3H)-ylidene(cyano)methyl)pyrimidin-2-ylamino)ethyl)benzenesulfonamide::4-[2-(4-{[3H-Benzothiazol-(2Z)-ylidene]-cyano-methyl}-pyrimidin-2-ylamino)-ethyl]-benzenesulfonamide::CHEMBL363355

SMILES: NS(=O)(=O)c1ccc(CCNc2nccc(n2)C(C#N)c2nc3ccccc3s2)cc1

InChI Key: InChIKey=OSXMTIFMYHFUHI-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50169985   
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)
BDBM50169985
PNG
(4-(2-(4-(benzo[d]thiazol-2(3H)-ylidene(cyano)methy...)
Show SMILES NS(=O)(=O)c1ccc(CCNc2nccc(n2)C(C#N)c2nc3ccccc3s2)cc1
Show InChI InChI=1S/C21H18N6O2S2/c22-13-16(20-26-18-3-1-2-4-19(18)30-20)17-10-12-25-21(27-17)24-11-9-14-5-7-15(8-6-14)31(23,28)29/h1-8,10,12,16H,9,11H2,(H2,23,28,29)(H,24,25,27)
PDB
MMDB

KEGG

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 41n/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))
BDBM50169985
PNG
(4-(2-(4-(benzo[d]thiazol-2(3H)-ylidene(cyano)methy...)
Show SMILES NS(=O)(=O)c1ccc(CCNc2nccc(n2)C(C#N)c2nc3ccccc3s2)cc1
Show InChI InChI=1S/C21H18N6O2S2/c22-13-16(20-26-18-3-1-2-4-19(18)30-20)17-10-12-25-21(27-17)24-11-9-14-5-7-15(8-6-14)31(23,28)29/h1-8,10,12,16H,9,11H2,(H2,23,28,29)(H,24,25,27)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 41n/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