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BDBM50194862 CHEMBL385177::N-(4-(methylsulfonyl)benzyl)-4-amino-5-cyano-6-styrylpicolinamide

SMILES: CS(=O)(=O)c1ccc(CNC(=O)c2cc(N)c(C#N)c(\C=C\c3ccccc3)n2)cc1

InChI Key: InChIKey=BDHQTRQDQKVEIM-FMIVXFBMSA-N

Data: 3 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50194862   
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, JNK


(Homo sapiens (Human))
BDBM50194862
PNG
(CHEMBL385177 | N-(4-(methylsulfonyl)benzyl)-4-amin...)
Show SMILES CS(=O)(=O)c1ccc(CNC(=O)c2cc(N)c(C#N)c(\C=C\c3ccccc3)n2)cc1
Show InChI InChI=1S/C23H20N4O3S/c1-31(29,30)18-10-7-17(8-11-18)15-26-23(28)22-13-20(25)19(14-24)21(27-22)12-9-16-5-3-2-4-6-16/h2-13H,15H2,1H3,(H2,25,27)(H,26,28)/b12-9+
PDB
MMDB

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UniProtKB/SwissProt

B.MOAD
DrugBank
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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.45E+3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of JNK1 by ATF2 phosphorylation assay


Bioorg Med Chem Lett 16: 5723-30 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.097
BindingDB Entry DOI: 10.7270/Q28G8KBG
More data for this
Ligand-Target Pair
c-Jun N-terminal kinase, JNK


(Homo sapiens (Human))
BDBM50194862
PNG
(CHEMBL385177 | N-(4-(methylsulfonyl)benzyl)-4-amin...)
Show SMILES CS(=O)(=O)c1ccc(CNC(=O)c2cc(N)c(C#N)c(\C=C\c3ccccc3)n2)cc1
Show InChI InChI=1S/C23H20N4O3S/c1-31(29,30)18-10-7-17(8-11-18)15-26-23(28)22-13-20(25)19(14-24)21(27-22)12-9-16-5-3-2-4-6-16/h2-13H,15H2,1H3,(H2,25,27)(H,26,28)/b12-9+
PDB
MMDB

NCI pathway
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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.45E+3n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of JNK1


Eur J Med Chem 43: 604-13 (2008)


Article DOI: 10.1016/j.ejmech.2007.04.020
BindingDB Entry DOI: 10.7270/Q2T43V9Z
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 9


(Homo sapiens (Human))
BDBM50194862
PNG
(CHEMBL385177 | N-(4-(methylsulfonyl)benzyl)-4-amin...)
Show SMILES CS(=O)(=O)c1ccc(CNC(=O)c2cc(N)c(C#N)c(\C=C\c3ccccc3)n2)cc1
Show InChI InChI=1S/C23H20N4O3S/c1-31(29,30)18-10-7-17(8-11-18)15-26-23(28)22-13-20(25)19(14-24)21(27-22)12-9-16-5-3-2-4-6-16/h2-13H,15H2,1H3,(H2,25,27)(H,26,28)/b12-9+
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.29E+3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of JNK2 by ATF2 phosphorylation assay


Bioorg Med Chem Lett 16: 5723-30 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.097
BindingDB Entry DOI: 10.7270/Q28G8KBG
More data for this
Ligand-Target Pair