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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'c-Jun N-terminal kinase, JNK' and Ligand = 'BDBM50373215'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/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))
BDBM50373215
PNG
(CHEMBL259060)
Show SMILES COC(=O)c1c(-c2ccccc2)c2cc(Br)ccc2c(=O)n1Cc1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C25H20BrNO5S/c1-32-25(29)23-22(17-6-4-3-5-7-17)21-14-18(26)10-13-20(21)24(28)27(23)15-16-8-11-19(12-9-16)33(2,30)31/h3-14H,15H2,1-2H3
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PC cid
PC sid
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PubMed
n/an/a 30n/an/an/an/an/an/a



Takeda Pharmaceutical Company, Ltd

Curated by ChEMBL


Assay Description
Inhibition of human JNK1 by radiometric assay


Bioorg Med Chem 16: 4715-32 (2008)


Article DOI: 10.1016/j.bmc.2008.02.027
BindingDB Entry DOI: 10.7270/Q2JS9R8M
More data for this
Ligand-Target Pair
c-Jun N-terminal kinase, JNK


(Homo sapiens (Human))
BDBM50373215
PNG
(CHEMBL259060)
Show SMILES COC(=O)c1c(-c2ccccc2)c2cc(Br)ccc2c(=O)n1Cc1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C25H20BrNO5S/c1-32-25(29)23-22(17-6-4-3-5-7-17)21-14-18(26)10-13-20(21)24(28)27(23)15-16-8-11-19(12-9-16)33(2,30)31/h3-14H,15H2,1-2H3
PDB
MMDB

NCI pathway
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KEGG

UniProtKB/SwissProt

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DrugBank
antibodypedia
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 30n/an/an/an/an/an/a



Takeda Pharmaceutical Company, Ltd

Curated by ChEMBL


Assay Description
Inhibition of human JNK1 by radiometric assay


Bioorg Med Chem 16: 4699-714 (2008)


Article DOI: 10.1016/j.bmc.2008.02.028
BindingDB Entry DOI: 10.7270/Q2NP2598
More data for this
Ligand-Target Pair
c-Jun N-terminal kinase, JNK


(Homo sapiens (Human))
BDBM50373215
PNG
(CHEMBL259060)
Show SMILES COC(=O)c1c(-c2ccccc2)c2cc(Br)ccc2c(=O)n1Cc1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C25H20BrNO5S/c1-32-25(29)23-22(17-6-4-3-5-7-17)21-14-18(26)10-13-20(21)24(28)27(23)15-16-8-11-19(12-9-16)33(2,30)31/h3-14H,15H2,1-2H3
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 43n/an/an/an/an/an/a



Roche Palo Alto

Curated by ChEMBL


Assay Description
Inhibition of human JNK1 alpha1 using GST-tagged ATF2 as substrate and [gamma33P]ATP incubated for 10 mins prior to substrate addition measured after...


Bioorg Med Chem Lett 22: 7381-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.066
BindingDB Entry DOI: 10.7270/Q27S7PZ6
More data for this
Ligand-Target Pair