Found 14 hits Enz. Inhib. hit(s) with Target = 'Signal transducer and activator of transcription 3' and Ligand = 'BDBM50353432' Target/Host (Institution) | Ligand | Target/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 | pH | Temp °C |
Signal transducer and activator of transcription 3
(Homo sapiens (Human)) | BDBM50353432
(CHEMBL1829876 | US10196373, Compound 45O)Show SMILES CN(CC(=O)N(Cc1ccc(cc1)C1CCCCC1)c1ccc(C(O)=O)c(O)c1)S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F Show InChI InChI=1S/C29H27F5N2O6S/c1-35(43(41,42)28-26(33)24(31)23(30)25(32)27(28)34)15-22(38)36(19-11-12-20(29(39)40)21(37)13-19)14-16-7-9-18(10-8-16)17-5-3-2-4-6-17/h7-13,17,37H,2-6,14-15H2,1H3,(H,39,40) | PDB
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| Article PubMed
| 1.28E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Toronto Mississauga
Curated by ChEMBL
| Assay Description Inhibition of STAT3 using fluorescent probe 5-carboxyfluorescein-GpYLPQTV-NH2 after 15 mins by fluorescence polarisation assay |
Bioorg Med Chem Lett 21: 5605-9 (2011)
Article DOI: 10.1016/j.bmcl.2011.06.056 BindingDB Entry DOI: 10.7270/Q2J966R9 |
More data for this Ligand-Target Pair | |
Signal transducer and activator of transcription 3
(Homo sapiens (Human)) | BDBM50353432
(CHEMBL1829876 | US10196373, Compound 45O)Show SMILES CN(CC(=O)N(Cc1ccc(cc1)C1CCCCC1)c1ccc(C(O)=O)c(O)c1)S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F Show InChI InChI=1S/C29H27F5N2O6S/c1-35(43(41,42)28-26(33)24(31)23(30)25(32)27(28)34)15-22(38)36(19-11-12-20(29(39)40)21(37)13-19)14-16-7-9-18(10-8-16)17-5-3-2-4-6-17/h7-13,17,37H,2-6,14-15H2,1H3,(H,39,40) | PDB
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| US Patent
| 1.30E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
THE GOVERNING COUNCIL OF THE UNIVERSITY OF TORONTO; UNIVERSITY OF CENTRAL FLORIDA RESEARCH FOUNDATION, INC.
US Patent
| Assay Description ChIP assay was performed using EZ ChIP Kit (Millipore, Billerica, Mass., USA) as per manufacturer's instruction. Briefly, after crosslinking with... |
US Patent US10196373 (2019)
BindingDB Entry DOI: 10.7270/Q27083HS |
More data for this Ligand-Target Pair | |
Signal transducer and activator of transcription 3
(Mus musculus (mouse)) | BDBM50353432
(CHEMBL1829876 | US10196373, Compound 45O)Show SMILES CN(CC(=O)N(Cc1ccc(cc1)C1CCCCC1)c1ccc(C(O)=O)c(O)c1)S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F Show InChI InChI=1S/C29H27F5N2O6S/c1-35(43(41,42)28-26(33)24(31)23(30)25(32)27(28)34)15-22(38)36(19-11-12-20(29(39)40)21(37)13-19)14-16-7-9-18(10-8-16)17-5-3-2-4-6-17/h7-13,17,37H,2-6,14-15H2,1H3,(H,39,40) | PDB MMDB
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| Article PubMed
| n/a | n/a | 6.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Hawaii Cancer Center
Curated by ChEMBL
| Assay Description Inhibition of STAT3 DNA binding activity in mouse NIH/3T3 nuclear extract preincubated for 30 mins followed by [32P]hSIE addition measured after 30 m... |
ACS Med Chem Lett 9: 250-255 (2018)
Article DOI: 10.1021/acsmedchemlett.7b00544 BindingDB Entry DOI: 10.7270/Q2KH0R1M |
More data for this Ligand-Target Pair | |
Signal transducer and activator of transcription 3
(Homo sapiens (Human)) | BDBM50353432
(CHEMBL1829876 | US10196373, Compound 45O)Show SMILES CN(CC(=O)N(Cc1ccc(cc1)C1CCCCC1)c1ccc(C(O)=O)c(O)c1)S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F Show InChI InChI=1S/C29H27F5N2O6S/c1-35(43(41,42)28-26(33)24(31)23(30)25(32)27(28)34)15-22(38)36(19-11-12-20(29(39)40)21(37)13-19)14-16-7-9-18(10-8-16)17-5-3-2-4-6-17/h7-13,17,37H,2-6,14-15H2,1H3,(H,39,40) | PDB
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| | n/a | n/a | 6.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this Ligand-Target Pair | |
Signal transducer and activator of transcription 3
(Homo sapiens (Human)) | BDBM50353432
(CHEMBL1829876 | US10196373, Compound 45O)Show SMILES CN(CC(=O)N(Cc1ccc(cc1)C1CCCCC1)c1ccc(C(O)=O)c(O)c1)S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F Show InChI InChI=1S/C29H27F5N2O6S/c1-35(43(41,42)28-26(33)24(31)23(30)25(32)27(28)34)15-22(38)36(19-11-12-20(29(39)40)21(37)13-19)14-16-7-9-18(10-8-16)17-5-3-2-4-6-17/h7-13,17,37H,2-6,14-15H2,1H3,(H,39,40) | PDB
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| Article PubMed
| n/a | n/a | 6.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.bmc.2022.116941 BindingDB Entry DOI: 10.7270/Q2PN99MK |
More data for this Ligand-Target Pair | |
Signal transducer and activator of transcription 3
(Homo sapiens (Human)) | BDBM50353432
(CHEMBL1829876 | US10196373, Compound 45O)Show SMILES CN(CC(=O)N(Cc1ccc(cc1)C1CCCCC1)c1ccc(C(O)=O)c(O)c1)S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F Show InChI InChI=1S/C29H27F5N2O6S/c1-35(43(41,42)28-26(33)24(31)23(30)25(32)27(28)34)15-22(38)36(19-11-12-20(29(39)40)21(37)13-19)14-16-7-9-18(10-8-16)17-5-3-2-4-6-17/h7-13,17,37H,2-6,14-15H2,1H3,(H,39,40) | PDB
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| | n/a | n/a | 6.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of human H-PGDS expressed in Escherichia coli BL21 DE2 by enzyme immuno assay at 50 uM |
Citation and Details
|
More data for this Ligand-Target Pair | |
Signal transducer and activator of transcription 3
(Homo sapiens (Human)) | BDBM50353432
(CHEMBL1829876 | US10196373, Compound 45O)Show SMILES CN(CC(=O)N(Cc1ccc(cc1)C1CCCCC1)c1ccc(C(O)=O)c(O)c1)S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F Show InChI InChI=1S/C29H27F5N2O6S/c1-35(43(41,42)28-26(33)24(31)23(30)25(32)27(28)34)15-22(38)36(19-11-12-20(29(39)40)21(37)13-19)14-16-7-9-18(10-8-16)17-5-3-2-4-6-17/h7-13,17,37H,2-6,14-15H2,1H3,(H,39,40) | PDB
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| US Patent
| n/a | n/a | 6.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
THE GOVERNING COUNCIL OF THE UNIVERSITY OF TORONTO; UNIVERSITY OF CENTRAL FLORIDA RESEARCH FOUNDATION, INC.
US Patent
| Assay Description ChIP assay was performed using EZ ChIP Kit (Millipore, Billerica, Mass., USA) as per manufacturer's instruction. Briefly, after crosslinking with... |
US Patent US10196373 (2019)
BindingDB Entry DOI: 10.7270/Q27083HS |
More data for this Ligand-Target Pair | |
Signal transducer and activator of transcription 3
(Homo sapiens (Human)) | BDBM50353432
(CHEMBL1829876 | US10196373, Compound 45O)Show SMILES CN(CC(=O)N(Cc1ccc(cc1)C1CCCCC1)c1ccc(C(O)=O)c(O)c1)S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F Show InChI InChI=1S/C29H27F5N2O6S/c1-35(43(41,42)28-26(33)24(31)23(30)25(32)27(28)34)15-22(38)36(19-11-12-20(29(39)40)21(37)13-19)14-16-7-9-18(10-8-16)17-5-3-2-4-6-17/h7-13,17,37H,2-6,14-15H2,1H3,(H,39,40) | PDB
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| Article PubMed
| n/a | n/a | 6.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Toronto Mississauga
Curated by ChEMBL
| Assay Description Binding affinity to Stat3 (unknown origin) using hSIE as probe preincubated for 30 mins followed by hSIE addition by electrophoretic mobility shift a... |
J Med Chem 56: 7190-200 (2013)
Article DOI: 10.1021/jm3017255 BindingDB Entry DOI: 10.7270/Q24F1S6X |
More data for this Ligand-Target Pair | |
Signal transducer and activator of transcription 3
(Mus musculus (mouse)) | BDBM50353432
(CHEMBL1829876 | US10196373, Compound 45O)Show SMILES CN(CC(=O)N(Cc1ccc(cc1)C1CCCCC1)c1ccc(C(O)=O)c(O)c1)S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F Show InChI InChI=1S/C29H27F5N2O6S/c1-35(43(41,42)28-26(33)24(31)23(30)25(32)27(28)34)15-22(38)36(19-11-12-20(29(39)40)21(37)13-19)14-16-7-9-18(10-8-16)17-5-3-2-4-6-17/h7-13,17,37H,2-6,14-15H2,1H3,(H,39,40) | PDB MMDB
Reactome pathway KEGG
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| Article PubMed
| n/a | n/a | 1.97E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Toronto Mississauga
Curated by ChEMBL
| Assay Description Inhibition of STAT3 in mouse NIH3T3/vSrc nuclear extract assessed as disruption of the Stat3-DNA complex pre-incubated for 30 mins by EMSA analysis |
Bioorg Med Chem Lett 21: 5605-9 (2011)
Article DOI: 10.1016/j.bmcl.2011.06.056 BindingDB Entry DOI: 10.7270/Q2J966R9 |
More data for this Ligand-Target Pair | |
Signal transducer and activator of transcription 3
(Homo sapiens (Human)) | BDBM50353432
(CHEMBL1829876 | US10196373, Compound 45O)Show SMILES CN(CC(=O)N(Cc1ccc(cc1)C1CCCCC1)c1ccc(C(O)=O)c(O)c1)S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F Show InChI InChI=1S/C29H27F5N2O6S/c1-35(43(41,42)28-26(33)24(31)23(30)25(32)27(28)34)15-22(38)36(19-11-12-20(29(39)40)21(37)13-19)14-16-7-9-18(10-8-16)17-5-3-2-4-6-17/h7-13,17,37H,2-6,14-15H2,1H3,(H,39,40) | PDB
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| Article PubMed
| n/a | n/a | 2.56E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Toronto Mississauga
Curated by ChEMBL
| Assay Description Competitive binding affinity to Stat3 SH2 domain (unknown origin) using 5-FAM-GpYLPQTV-NH2 as probe assessed as phosphopetide complex formation after... |
J Med Chem 56: 7190-200 (2013)
Article DOI: 10.1021/jm3017255 BindingDB Entry DOI: 10.7270/Q24F1S6X |
More data for this Ligand-Target Pair | |
Signal transducer and activator of transcription 3
(Homo sapiens (Human)) | BDBM50353432
(CHEMBL1829876 | US10196373, Compound 45O)Show SMILES CN(CC(=O)N(Cc1ccc(cc1)C1CCCCC1)c1ccc(C(O)=O)c(O)c1)S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F Show InChI InChI=1S/C29H27F5N2O6S/c1-35(43(41,42)28-26(33)24(31)23(30)25(32)27(28)34)15-22(38)36(19-11-12-20(29(39)40)21(37)13-19)14-16-7-9-18(10-8-16)17-5-3-2-4-6-17/h7-13,17,37H,2-6,14-15H2,1H3,(H,39,40) | PDB
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| | n/a | n/a | n/a | 504 | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this Ligand-Target Pair | |
Signal transducer and activator of transcription 3
(Homo sapiens (Human)) | BDBM50353432
(CHEMBL1829876 | US10196373, Compound 45O)Show SMILES CN(CC(=O)N(Cc1ccc(cc1)C1CCCCC1)c1ccc(C(O)=O)c(O)c1)S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F Show InChI InChI=1S/C29H27F5N2O6S/c1-35(43(41,42)28-26(33)24(31)23(30)25(32)27(28)34)15-22(38)36(19-11-12-20(29(39)40)21(37)13-19)14-16-7-9-18(10-8-16)17-5-3-2-4-6-17/h7-13,17,37H,2-6,14-15H2,1H3,(H,39,40) | PDB
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| | n/a | n/a | n/a | 504 | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of human H-PGDS expressed in Escherichia coli BL21 DE2 by enzyme immuno assay at 50 uM |
Citation and Details
|
More data for this Ligand-Target Pair | |
Signal transducer and activator of transcription 3
(Homo sapiens (Human)) | BDBM50353432
(CHEMBL1829876 | US10196373, Compound 45O)Show SMILES CN(CC(=O)N(Cc1ccc(cc1)C1CCCCC1)c1ccc(C(O)=O)c(O)c1)S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F Show InChI InChI=1S/C29H27F5N2O6S/c1-35(43(41,42)28-26(33)24(31)23(30)25(32)27(28)34)15-22(38)36(19-11-12-20(29(39)40)21(37)13-19)14-16-7-9-18(10-8-16)17-5-3-2-4-6-17/h7-13,17,37H,2-6,14-15H2,1H3,(H,39,40) | PDB
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| Article PubMed
| n/a | n/a | n/a | 500 | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00004 BindingDB Entry DOI: 10.7270/Q2R78K9Z |
More data for this Ligand-Target Pair | |
Signal transducer and activator of transcription 3
(Homo sapiens (Human)) | BDBM50353432
(CHEMBL1829876 | US10196373, Compound 45O)Show SMILES CN(CC(=O)N(Cc1ccc(cc1)C1CCCCC1)c1ccc(C(O)=O)c(O)c1)S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F Show InChI InChI=1S/C29H27F5N2O6S/c1-35(43(41,42)28-26(33)24(31)23(30)25(32)27(28)34)15-22(38)36(19-11-12-20(29(39)40)21(37)13-19)14-16-7-9-18(10-8-16)17-5-3-2-4-6-17/h7-13,17,37H,2-6,14-15H2,1H3,(H,39,40) | PDB
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| Article PubMed
| n/a | n/a | n/a | 4.57E+3 | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00004 BindingDB Entry DOI: 10.7270/Q2R78K9Z |
More data for this Ligand-Target Pair | |