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Compile Data Set for Download or QSAR

Found 5 hits Enz. Inhib. hit(s) with Target = 'Signal transducer and activator of transcription 3' and Ligand = 'BDBM50396170'   
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
Signal transducer and activator of transcription 3


(Homo sapiens (Human))
BDBM50396170
PNG
(CHEMBL2031566)
Show SMILES OC(=O)CSc1cc(NS(=O)(=O)c2ccc(cc2)C(O)=O)c2ccccc2c1O
Show InChI InChI=1S/C19H15NO7S2/c21-17(22)10-28-16-9-15(13-3-1-2-4-14(13)18(16)23)20-29(26,27)12-7-5-11(6-8-12)19(24)25/h1-9,20,23H,10H2,(H,21,22)(H,24,25)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
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CHEMBL
MCE
PC cid
PC sid
UniChem

Similars

n/an/a 2.00E+4n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 3


(Homo sapiens (Human))
BDBM50396170
PNG
(CHEMBL2031566)
Show SMILES OC(=O)CSc1cc(NS(=O)(=O)c2ccc(cc2)C(O)=O)c2ccccc2c1O
Show InChI InChI=1S/C19H15NO7S2/c21-17(22)10-28-16-9-15(13-3-1-2-4-14(13)18(16)23)20-29(26,27)12-7-5-11(6-8-12)19(24)25/h1-9,20,23H,10H2,(H,21,22)(H,24,25)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
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CHEMBL
MCE
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.00E+4n/an/an/an/an/an/a



University of Southern California

Curated by ChEMBL


Assay Description
Inhibition of recombinant STAT3 assessed as inhibition of STAT3-phosphododecapeptide interaction by SPR analysis


J Med Chem 55: 6645-68 (2012)


Article DOI: 10.1021/jm300207s
BindingDB Entry DOI: 10.7270/Q2CJ8FKK
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 3


(Homo sapiens (Human))
BDBM50396170
PNG
(CHEMBL2031566)
Show SMILES OC(=O)CSc1cc(NS(=O)(=O)c2ccc(cc2)C(O)=O)c2ccccc2c1O
Show InChI InChI=1S/C19H15NO7S2/c21-17(22)10-28-16-9-15(13-3-1-2-4-14(13)18(16)23)20-29(26,27)12-7-5-11(6-8-12)19(24)25/h1-9,20,23H,10H2,(H,21,22)(H,24,25)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
UniChem

Similars

n/an/a 3.90E+4n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 3


(Homo sapiens (Human))
BDBM50396170
PNG
(CHEMBL2031566)
Show SMILES OC(=O)CSc1cc(NS(=O)(=O)c2ccc(cc2)C(O)=O)c2ccccc2c1O
Show InChI InChI=1S/C19H15NO7S2/c21-17(22)10-28-16-9-15(13-3-1-2-4-14(13)18(16)23)20-29(26,27)12-7-5-11(6-8-12)19(24)25/h1-9,20,23H,10H2,(H,21,22)(H,24,25)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
UniChem

Similars

n/an/a 7.30E+4n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 3


(Homo sapiens (Human))
BDBM50396170
PNG
(CHEMBL2031566)
Show SMILES OC(=O)CSc1cc(NS(=O)(=O)c2ccc(cc2)C(O)=O)c2ccccc2c1O
Show InChI InChI=1S/C19H15NO7S2/c21-17(22)10-28-16-9-15(13-3-1-2-4-14(13)18(16)23)20-29(26,27)12-7-5-11(6-8-12)19(24)25/h1-9,20,23H,10H2,(H,21,22)(H,24,25)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 7.30E+4n/an/an/an/an/an/a



University of Southern California

Curated by ChEMBL


Assay Description
Inhibition of IL6-mediated STAT3 phosphorylation in human HepG2 cells preincubated for 1 hr prior to IL6 challenge measured after 30 mins by immunobl...


J Med Chem 55: 6645-68 (2012)


Article DOI: 10.1021/jm300207s
BindingDB Entry DOI: 10.7270/Q2CJ8FKK
More data for this
Ligand-Target Pair