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PDB code 3OXI

Compile Data Set for Download or QSAR

Identical Ligands in BindingDB

Found 6 hits Enzyme Inhibition Constant Data   
Target
(Institution)
LigandTarget
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

  (337/361 = 93%)
(Homo sapiens (human))
BDBM50332040
PNG
(CHEMBL1288895 | methyl 3-(2-(thiophen-2-yl)acetami...)
Show SMILES COC(=O)c1sccc1NC(=O)Cc1cccs1
Show InChI InChI=1S/C12H11NO3S2/c1-16-12(15)11-9(4-6-18-11)13-10(14)7-8-3-2-5-17-8/h2-6H,7H2,1H3,(H,13,14)
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n/an/a 1.60E+3n/an/an/an/an/an/a



Elan Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant JNK1 after 60 mins by TR-FRET assay


Bioorg Med Chem Lett 21: 1838-43 (2011)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
c-Jun N-terminal kinase, JNK

  (337/361 = 93%)
(Homo sapiens (human))
BDBM50332040
PNG
(CHEMBL1288895 | methyl 3-(2-(thiophen-2-yl)acetami...)
Show SMILES COC(=O)c1sccc1NC(=O)Cc1cccs1
Show InChI InChI=1S/C12H11NO3S2/c1-16-12(15)11-9(4-6-18-11)13-10(14)7-8-3-2-5-17-8/h2-6H,7H2,1H3,(H,13,14)
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n/an/a 1.80E+3n/an/an/an/an/an/a



Elan Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of recombinant JNK1 after 60 mins by TR-FRET assay


Bioorg Med Chem Lett 20: 7303-7 (2010)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Mitogen-activated protein kinase 10

  (362/362 = 100%)
(Homo sapiens (human))
BDBM50332040
PNG
(CHEMBL1288895 | methyl 3-(2-(thiophen-2-yl)acetami...)
Show SMILES COC(=O)c1sccc1NC(=O)Cc1cccs1
Show InChI InChI=1S/C12H11NO3S2/c1-16-12(15)11-9(4-6-18-11)13-10(14)7-8-3-2-5-17-8/h2-6H,7H2,1H3,(H,13,14)
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n/an/a 2.20E+3n/an/an/an/an/an/a



Elan Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant JNK3 after 60 mins by TR-FRET assay


Bioorg Med Chem Lett 21: 1838-43 (2011)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Mitogen-activated protein kinase 10

  (362/362 = 100%)
(Homo sapiens (human))
BDBM50332040
PNG
(CHEMBL1288895 | methyl 3-(2-(thiophen-2-yl)acetami...)
Show SMILES COC(=O)c1sccc1NC(=O)Cc1cccs1
Show InChI InChI=1S/C12H11NO3S2/c1-16-12(15)11-9(4-6-18-11)13-10(14)7-8-3-2-5-17-8/h2-6H,7H2,1H3,(H,13,14)
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n/an/a 2.20E+3n/an/an/an/an/an/a



Elan Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of recombinant JNK3 after 60 mins by TR-FRET assay


Bioorg Med Chem Lett 20: 7303-7 (2010)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Mitogen-activated protein kinase 9

  (313/361 = 87%)
(Homo sapiens (human))
BDBM50332040
PNG
(CHEMBL1288895 | methyl 3-(2-(thiophen-2-yl)acetami...)
Show SMILES COC(=O)c1sccc1NC(=O)Cc1cccs1
Show InChI InChI=1S/C12H11NO3S2/c1-16-12(15)11-9(4-6-18-11)13-10(14)7-8-3-2-5-17-8/h2-6H,7H2,1H3,(H,13,14)
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n/an/a 2.14E+4n/an/an/an/an/an/a



Elan Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of recombinant JNK2 after 60 mins by TR-FRET assay


Bioorg Med Chem Lett 20: 7303-7 (2010)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Mitogen-activated protein kinase 9

  (313/361 = 87%)
(Homo sapiens (human))
BDBM50332040
PNG
(CHEMBL1288895 | methyl 3-(2-(thiophen-2-yl)acetami...)
Show SMILES COC(=O)c1sccc1NC(=O)Cc1cccs1
Show InChI InChI=1S/C12H11NO3S2/c1-16-12(15)11-9(4-6-18-11)13-10(14)7-8-3-2-5-17-8/h2-6H,7H2,1H3,(H,13,14)
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CHEMBL
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PC cid
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PubMed
n/an/a 2.30E+4n/an/an/an/an/an/a



Elan Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant JNK2 after 60 mins by TR-FRET assay


Bioorg Med Chem Lett 21: 1838-43 (2011)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)

Search BindingMOAD for More Affinity Data:

* indicates data uncertainty>20%
* 0.9 Tanimoto similarity
Identities from BLAST output