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BDBM50342301 2-(2-(benzo[b]thiophen-3-yl)acetamido)thiophene-3-carboxamide::CHEMBL1767254

SMILES: NC(=O)c1ccsc1NC(=O)Cc1csc2ccccc12

InChI Key: InChIKey=ZZKGJVRSUVIYIJ-UHFFFAOYSA-N

Data: 3 IC50  3 Kd

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 6 hits for monomerid = 50342301   
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))
BDBM50342301
PNG
(2-(2-(benzo[b]thiophen-3-yl)acetamido)thiophene-3-...)
Show SMILES NC(=O)c1ccsc1NC(=O)Cc1csc2ccccc12
Show InChI InChI=1S/C15H12N2O2S2/c16-14(19)11-5-6-20-15(11)17-13(18)7-9-8-21-12-4-2-1-3-10(9)12/h1-6,8H,7H2,(H2,16,19)(H,17,18)
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PubMed
n/an/an/a 1.10E+3n/an/an/an/an/a



Sanford-Burnham Medical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to JNK1 in presence of ATP


Bioorg Med Chem 19: 2582-8 (2011)


Article DOI: 10.1016/j.bmc.2011.03.017
More data for this
Ligand-Target Pair
c-Jun N-terminal kinase, JNK


(Homo sapiens (Human))
BDBM50342301
PNG
(2-(2-(benzo[b]thiophen-3-yl)acetamido)thiophene-3-...)
Show SMILES NC(=O)c1ccsc1NC(=O)Cc1csc2ccccc12
Show InChI InChI=1S/C15H12N2O2S2/c16-14(19)11-5-6-20-15(11)17-13(18)7-9-8-21-12-4-2-1-3-10(9)12/h1-6,8H,7H2,(H2,16,19)(H,17,18)
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PubMed
n/an/a 1.30E+3n/an/an/an/an/an/a



Sanford-Burnham Medical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of JNK1 by TR-FRET assay


Bioorg Med Chem 19: 2582-8 (2011)


Article DOI: 10.1016/j.bmc.2011.03.017
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 9


(Homo sapiens (Human))
BDBM50342301
PNG
(2-(2-(benzo[b]thiophen-3-yl)acetamido)thiophene-3-...)
Show SMILES NC(=O)c1ccsc1NC(=O)Cc1csc2ccccc12
Show InChI InChI=1S/C15H12N2O2S2/c16-14(19)11-5-6-20-15(11)17-13(18)7-9-8-21-12-4-2-1-3-10(9)12/h1-6,8H,7H2,(H2,16,19)(H,17,18)
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n/an/an/a 640n/an/an/an/an/a



Sanford-Burnham Medical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to JNK2


Bioorg Med Chem 19: 2582-8 (2011)


Article DOI: 10.1016/j.bmc.2011.03.017
More data for this
Ligand-Target Pair
c-Jun N-terminal kinase, JNK


(Homo sapiens (Human))
BDBM50342301
PNG
(2-(2-(benzo[b]thiophen-3-yl)acetamido)thiophene-3-...)
Show SMILES NC(=O)c1ccsc1NC(=O)Cc1csc2ccccc12
Show InChI InChI=1S/C15H12N2O2S2/c16-14(19)11-5-6-20-15(11)17-13(18)7-9-8-21-12-4-2-1-3-10(9)12/h1-6,8H,7H2,(H2,16,19)(H,17,18)
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n/an/a 4.62E+3n/an/an/an/an/an/a



Sanford-Burnham Medical Research Institute

Curated by ChEMBL


Assay Description
Displacement of biotin-labeled JIP1 peptide from JNK1 by DELFIA assay


Bioorg Med Chem 19: 2582-8 (2011)


Article DOI: 10.1016/j.bmc.2011.03.017
More data for this
Ligand-Target Pair
Transcription factor AP-1


(Homo sapiens (Human))
BDBM50342301
PNG
(2-(2-(benzo[b]thiophen-3-yl)acetamido)thiophene-3-...)
Show SMILES NC(=O)c1ccsc1NC(=O)Cc1csc2ccccc12
Show InChI InChI=1S/C15H12N2O2S2/c16-14(19)11-5-6-20-15(11)17-13(18)7-9-8-21-12-4-2-1-3-10(9)12/h1-6,8H,7H2,(H2,16,19)(H,17,18)
PDB

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antibodypedia
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PC cid
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Article
PubMed
n/an/a 7.50E+3n/an/an/an/an/an/a



Sanford-Burnham Medical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of TNFalpha-induced c-Jun phosphorylation in human HeLa cells by TR-FRET assay


Bioorg Med Chem 19: 2582-8 (2011)


Article DOI: 10.1016/j.bmc.2011.03.017
More data for this
Ligand-Target Pair
c-Jun N-terminal kinase, JNK


(Homo sapiens (Human))
BDBM50342301
PNG
(2-(2-(benzo[b]thiophen-3-yl)acetamido)thiophene-3-...)
Show SMILES NC(=O)c1ccsc1NC(=O)Cc1csc2ccccc12
Show InChI InChI=1S/C15H12N2O2S2/c16-14(19)11-5-6-20-15(11)17-13(18)7-9-8-21-12-4-2-1-3-10(9)12/h1-6,8H,7H2,(H2,16,19)(H,17,18)
PDB
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NCI pathway
Reactome pathway
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UniChem

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Article
PubMed
n/an/an/a 3.10E+3n/an/an/an/an/a



Sanford-Burnham Medical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to JNK1 in presence of peptide JIP1


Bioorg Med Chem 19: 2582-8 (2011)


Article DOI: 10.1016/j.bmc.2011.03.017
More data for this
Ligand-Target Pair