BindingDB logo
myBDB logout

PubMed code 21788134

Compile data set for download or QSAR
Found 28 hits of Enzyme Inhibition Constant Data   
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))		BDBM50353444
PNG
(CHEMBL1829870 | US10196373, Compound 45C)
Show SMILES CN(CC(=O)N(Cc1ccc(cc1)C1CCCCC1)c1ccc(C(O)=O)c(O)c1)S(=O)(=O)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C35H36N2O6S/c1-36(44(42,43)31-19-16-29(17-20-31)27-10-6-3-7-11-27)24-34(39)37(30-18-21-32(35(40)41)33(38)22-30)23-25-12-14-28(15-13-25)26-8-4-2-5-9-26/h3,6-7,10-22,26,38H,2,4-5,8-9,23-24H2,1H3,(H,40,41)
PDB

KEGG

UniProtKB/SwissProt

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

Similars
Article
PubMed
 6.20E+3n/an/an/an/an/an/an/an/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))		BDBM50353445
PNG
(CHEMBL1829862 | US10196373, Compound 45B)
Show SMILES CN(CC(=O)N(Cc1ccc(cc1)C1CCCCC1)c1ccc(C(O)=O)c(O)c1)S(=O)(=O)c1c(C)cc(C)cc1C
Show InChI InChI=1S/C32H38N2O6S/c1-21-16-22(2)31(23(3)17-21)41(39,40)33(4)20-30(36)34(27-14-15-28(32(37)38)29(35)18-27)19-24-10-12-26(13-11-24)25-8-6-5-7-9-25/h10-18,25,35H,5-9,19-20H2,1-4H3,(H,37,38)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
 8.00E+3n/an/an/an/an/an/an/an/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))		BDBM50353435
PNG
(CHEMBL1829874 | US10196373, Compound 45K)
Show SMILES CN(CC(=O)N(Cc1ccc(cc1)C1CCCCC1)c1ccc(C(O)=O)c(O)c1)S(=O)(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C29H31ClN2O6S/c1-31(39(37,38)25-14-11-23(30)12-15-25)19-28(34)32(24-13-16-26(29(35)36)27(33)17-24)18-20-7-9-22(10-8-20)21-5-3-2-4-6-21/h7-17,21,33H,2-6,18-19H2,1H3,(H,35,36)
PDB

KEGG

UniProtKB/SwissProt

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

Similars
Article
PubMed
 1.10E+4n/an/an/an/an/an/an/an/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
PNG
(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

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
UniChem

Similars
Article
PubMed
 1.28E+4n/an/an/an/an/an/an/an/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))		BDBM50353439
PNG
(CHEMBL1829872 | US10196373, Compound 45G)
Show SMILES CN(C)c1cccc2c(cccc12)S(=O)(=O)N(C)CC(=O)N(Cc1ccc(cc1)C1CCCCC1)c1ccc(C(O)=O)c(O)c1
Show InChI InChI=1S/C35H39N3O6S/c1-36(2)31-13-7-12-29-28(31)11-8-14-33(29)45(43,44)37(3)23-34(40)38(27-19-20-30(35(41)42)32(39)21-27)22-24-15-17-26(18-16-24)25-9-5-4-6-10-25/h7-8,11-21,25,39H,4-6,9-10,22-23H2,1-3H3,(H,41,42)
PDB

KEGG

UniProtKB/SwissProt

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

Similars
Article
PubMed
 1.33E+4n/an/an/an/an/an/an/an/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


(Mus musculus (mouse))		BDBM50353441
PNG
(CHEMBL1829786)
Show SMILES CN(CC(=O)N(Cc1ccc(cc1)C1CCCCC1)c1ccc(C(O)=O)c(O)c1)S(=O)(=O)c1ccc(C)cc1
Show InChI InChI=1S/C30H34N2O6S/c1-21-8-15-26(16-9-21)39(37,38)31(2)20-29(34)32(25-14-17-27(30(35)36)28(33)18-25)19-22-10-12-24(13-11-22)23-6-4-3-5-7-23/h8-18,23,33H,3-7,19-20H2,1-2H3,(H,35,36)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
 1.50E+4n/an/an/an/an/an/an/an/a



University of Toronto Mississauga

Curated by ChEMBL


Assay Description
Inhibition of mouse STAT3 SH2 domain using fluorescent probe 5-carboxyfluorescein-GpYLPQTV-NH2 after 30 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))		BDBM50353441
PNG
(CHEMBL1829786)
Show SMILES CN(CC(=O)N(Cc1ccc(cc1)C1CCCCC1)c1ccc(C(O)=O)c(O)c1)S(=O)(=O)c1ccc(C)cc1
Show InChI InChI=1S/C30H34N2O6S/c1-21-8-15-26(16-9-21)39(37,38)31(2)20-29(34)32(25-14-17-27(30(35)36)28(33)18-25)19-22-10-12-24(13-11-22)23-6-4-3-5-7-23/h8-18,23,33H,3-7,19-20H2,1-2H3,(H,35,36)
PDB

KEGG

UniProtKB/SwissProt

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

Similars
Article
PubMed
 1.55E+4n/an/an/an/an/an/an/an/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 1


(Mus musculus)		BDBM50353441
PNG
(CHEMBL1829786)
Show SMILES CN(CC(=O)N(Cc1ccc(cc1)C1CCCCC1)c1ccc(C(O)=O)c(O)c1)S(=O)(=O)c1ccc(C)cc1
Show InChI InChI=1S/C30H34N2O6S/c1-21-8-15-26(16-9-21)39(37,38)31(2)20-29(34)32(25-14-17-27(30(35)36)28(33)18-25)19-22-10-12-24(13-11-22)23-6-4-3-5-7-23/h8-18,23,33H,3-7,19-20H2,1-2H3,(H,35,36)
PDB
MMDB

Reactome pathway

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
>2.50E+4n/an/an/an/an/an/an/an/a



University of Toronto Mississauga

Curated by ChEMBL


Assay Description
Inhibition of mouse STAT1 using fluorescent probe 5-carboxyfluorescein-GpYLPQTV-NH2 after 30 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))		BDBM50353442
PNG
(CHEMBL1829871 | US10196373, Compound 45E)
Show SMILES CN(CC(=O)N(Cc1ccc(cc1)C1CCCCC1)c1ccc(C(O)=O)c(O)c1)S(=O)(=O)c1cccc2ccccc12
Show InChI InChI=1S/C33H34N2O6S/c1-34(42(40,41)31-13-7-11-26-10-5-6-12-28(26)31)22-32(37)35(27-18-19-29(33(38)39)30(36)20-27)21-23-14-16-25(17-15-23)24-8-3-2-4-9-24/h5-7,10-20,24,36H,2-4,8-9,21-22H2,1H3,(H,38,39)
PDB

KEGG

UniProtKB/SwissProt

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

Similars
Article
PubMed
 2.65E+4n/an/an/an/an/an/an/an/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))		BDBM50353437
PNG
(CHEMBL1829873 | US10196373, Compound 45I)
Show SMILES CN(CC(=O)N(Cc1ccc(cc1)C1CCCCC1)c1ccc(C(O)=O)c(O)c1)S(=O)(=O)c1ccc(cc1)C#N
Show InChI InChI=1S/C30H31N3O6S/c1-32(40(38,39)26-14-9-21(18-31)10-15-26)20-29(35)33(25-13-16-27(30(36)37)28(34)17-25)19-22-7-11-24(12-8-22)23-5-3-2-4-6-23/h7-17,23,34H,2-6,19-20H2,1H3,(H,36,37)
PDB

KEGG

UniProtKB/SwissProt

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

Similars
Article
PubMed
 3.06E+4n/an/an/an/an/an/an/an/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))		BDBM50353440
PNG
(CHEMBL1829864 | US10196373, Compound 45F)
Show SMILES CN(CC(=O)N(Cc1ccc(cc1)C1CCCCC1)c1ccc(C(O)=O)c(O)c1)S(=O)(=O)c1cccc2cccnc12
Show InChI InChI=1S/C32H33N3O6S/c1-34(42(40,41)29-11-5-9-25-10-6-18-33-31(25)29)21-30(37)35(26-16-17-27(32(38)39)28(36)19-26)20-22-12-14-24(15-13-22)23-7-3-2-4-8-23/h5-6,9-19,23,36H,2-4,7-8,20-21H2,1H3,(H,38,39)
PDB

KEGG

UniProtKB/SwissProt

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

Similars
Article
PubMed
 4.10E+4n/an/an/an/an/an/an/an/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))		BDBM50353438
PNG
(CHEMBL1829865 | US10196373, Compound 45H)
Show SMILES CN(CC(=O)N(Cc1ccc(cc1)C1CCCCC1)c1ccc(C(O)=O)c(O)c1)S(=O)(=O)c1cn(C)cn1
Show InChI InChI=1S/C27H32N4O6S/c1-29-16-25(28-18-29)38(36,37)30(2)17-26(33)31(22-12-13-23(27(34)35)24(32)14-22)15-19-8-10-21(11-9-19)20-6-4-3-5-7-20/h8-14,16,18,20,32H,3-7,15,17H2,1-2H3,(H,34,35)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
>1.00E+5n/an/an/an/an/an/an/an/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


(Mus musculus (mouse))		BDBM50353432
PNG
(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

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 1.97E+4n/an/an/an/an/an/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


(Mus musculus (mouse))		BDBM50353440
PNG
(CHEMBL1829864 | US10196373, Compound 45F)
Show SMILES CN(CC(=O)N(Cc1ccc(cc1)C1CCCCC1)c1ccc(C(O)=O)c(O)c1)S(=O)(=O)c1cccc2cccnc12
Show InChI InChI=1S/C32H33N3O6S/c1-34(42(40,41)29-11-5-9-25-10-6-18-33-31(25)29)21-30(37)35(26-16-17-27(32(38)39)28(36)19-26)20-22-12-14-24(15-13-22)23-7-3-2-4-8-23/h5-6,9-19,23,36H,2-4,7-8,20-21H2,1H3,(H,38,39)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 2.46E+4n/an/an/an/an/an/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


(Mus musculus (mouse))		BDBM50353439
PNG
(CHEMBL1829872 | US10196373, Compound 45G)
Show SMILES CN(C)c1cccc2c(cccc12)S(=O)(=O)N(C)CC(=O)N(Cc1ccc(cc1)C1CCCCC1)c1ccc(C(O)=O)c(O)c1
Show InChI InChI=1S/C35H39N3O6S/c1-36(2)31-13-7-12-29-28(31)11-8-14-33(29)45(43,44)37(3)23-34(40)38(27-19-20-30(35(41)42)32(39)21-27)22-24-15-17-26(18-16-24)25-9-5-4-6-10-25/h7-8,11-21,25,39H,4-6,9-10,22-23H2,1-3H3,(H,41,42)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 2.88E+4n/an/an/an/an/an/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


(Mus musculus (mouse))		BDBM50353442
PNG
(CHEMBL1829871 | US10196373, Compound 45E)
Show SMILES CN(CC(=O)N(Cc1ccc(cc1)C1CCCCC1)c1ccc(C(O)=O)c(O)c1)S(=O)(=O)c1cccc2ccccc12
Show InChI InChI=1S/C33H34N2O6S/c1-34(42(40,41)31-13-7-11-26-10-5-6-12-28(26)31)22-32(37)35(27-18-19-29(33(38)39)30(36)20-27)21-23-14-16-25(17-15-23)24-8-3-2-4-9-24/h5-7,10-20,24,36H,2-4,8-9,21-22H2,1H3,(H,38,39)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 2.88E+4n/an/an/an/an/an/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


(Mus musculus (mouse))		BDBM50353441
PNG
(CHEMBL1829786)
Show SMILES CN(CC(=O)N(Cc1ccc(cc1)C1CCCCC1)c1ccc(C(O)=O)c(O)c1)S(=O)(=O)c1ccc(C)cc1
Show InChI InChI=1S/C30H34N2O6S/c1-21-8-15-26(16-9-21)39(37,38)31(2)20-29(34)32(25-14-17-27(30(35)36)28(33)18-25)19-22-10-12-24(13-11-22)23-6-4-3-5-7-23/h8-18,23,33H,3-7,19-20H2,1-2H3,(H,35,36)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 3.50E+4n/an/an/an/an/an/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


(Mus musculus (mouse))		BDBM50353445
PNG
(CHEMBL1829862 | US10196373, Compound 45B)
Show SMILES CN(CC(=O)N(Cc1ccc(cc1)C1CCCCC1)c1ccc(C(O)=O)c(O)c1)S(=O)(=O)c1c(C)cc(C)cc1C
Show InChI InChI=1S/C32H38N2O6S/c1-21-16-22(2)31(23(3)17-21)41(39,40)33(4)20-30(36)34(27-14-15-28(32(37)38)29(35)18-27)19-24-10-12-26(13-11-24)25-8-6-5-7-9-25/h10-18,25,35H,5-9,19-20H2,1-4H3,(H,37,38)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 5.19E+4n/an/an/an/an/an/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


(Mus musculus (mouse))		BDBM50353433
PNG
(CHEMBL1829868 | US10196373, Compound 45N)
Show SMILES CN(CC(=O)N(Cc1ccc(cc1)C1CCCCC1)c1ccc(C(O)=O)c(O)c1)S(=O)(=O)c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C29H31N3O8S/c1-30(41(39,40)25-14-11-23(12-15-25)32(37)38)19-28(34)31(24-13-16-26(29(35)36)27(33)17-24)18-20-7-9-22(10-8-20)21-5-3-2-4-6-21/h7-17,21,33H,2-6,18-19H2,1H3,(H,35,36)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 6.22E+4n/an/an/an/an/an/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


(Mus musculus (mouse))		BDBM50353444
PNG
(CHEMBL1829870 | US10196373, Compound 45C)
Show SMILES CN(CC(=O)N(Cc1ccc(cc1)C1CCCCC1)c1ccc(C(O)=O)c(O)c1)S(=O)(=O)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C35H36N2O6S/c1-36(44(42,43)31-19-16-29(17-20-31)27-10-6-3-7-11-27)24-34(39)37(30-18-21-32(35(40)41)33(38)22-30)23-25-12-14-28(15-13-25)26-8-4-2-5-9-26/h3,6-7,10-22,26,38H,2,4-5,8-9,23-24H2,1H3,(H,40,41)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 6.54E+4n/an/an/an/an/an/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


(Mus musculus (mouse))		BDBM50353435
PNG
(CHEMBL1829874 | US10196373, Compound 45K)
Show SMILES CN(CC(=O)N(Cc1ccc(cc1)C1CCCCC1)c1ccc(C(O)=O)c(O)c1)S(=O)(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C29H31ClN2O6S/c1-31(39(37,38)25-14-11-23(30)12-15-25)19-28(34)32(24-13-16-26(29(35)36)27(33)17-24)18-20-7-9-22(10-8-20)21-5-3-2-4-6-21/h7-17,21,33H,2-6,18-19H2,1H3,(H,35,36)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 6.72E+4n/an/an/an/an/an/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


(Mus musculus (mouse))		BDBM50353447
PNG
(CHEMBL1829875 | US10196373, Compound 45M)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(C)CC(=O)N(Cc1ccc(cc1)C1CCCCC1)c1ccc(C(O)=O)c(O)c1
Show InChI InChI=1S/C30H34N2O7S/c1-31(40(37,38)26-15-13-25(39-2)14-16-26)20-29(34)32(24-12-17-27(30(35)36)28(33)18-24)19-21-8-10-23(11-9-21)22-6-4-3-5-7-22/h8-18,22,33H,3-7,19-20H2,1-2H3,(H,35,36)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 6.74E+4n/an/an/an/an/an/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


(Mus musculus (mouse))		BDBM50353443
PNG
(CHEMBL1829863 | US10196373, Compound 45D)
Show SMILES CN(CC(=O)N(Cc1ccc(cc1)C1CCCCC1)c1ccc(C(O)=O)c(O)c1)S(=O)(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C33H34N2O6S/c1-34(42(40,41)29-17-15-25-9-5-6-10-27(25)19-29)22-32(37)35(28-16-18-30(33(38)39)31(36)20-28)21-23-11-13-26(14-12-23)24-7-3-2-4-8-24/h5-6,9-20,24,36H,2-4,7-8,21-22H2,1H3,(H,38,39)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 7.92E+4n/an/an/an/an/an/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


(Mus musculus (mouse))		BDBM50353436
PNG
(CHEMBL1829866 | US10196373, Compound 45J)
Show SMILES CN(CC(=O)N(Cc1ccc(cc1)C1CCCCC1)c1ccc(C(O)=O)c(O)c1)S(=O)(=O)c1ccc(Br)cc1
Show InChI InChI=1S/C29H31BrN2O6S/c1-31(39(37,38)25-14-11-23(30)12-15-25)19-28(34)32(24-13-16-26(29(35)36)27(33)17-24)18-20-7-9-22(10-8-20)21-5-3-2-4-6-21/h7-17,21,33H,2-6,18-19H2,1H3,(H,35,36)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 9.03E+4n/an/an/an/an/an/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


(Mus musculus (mouse))		BDBM50353446
PNG
(CHEMBL1829869 | US10196373, Compound 45A)
Show SMILES CN(CC(=O)N(Cc1ccc(cc1)C1CCCCC1)c1ccc(C(O)=O)c(O)c1)S(=O)(=O)c1cccc(C)c1
Show InChI InChI=1S/C30H34N2O6S/c1-21-7-6-10-26(17-21)39(37,38)31(2)20-29(34)32(25-15-16-27(30(35)36)28(33)18-25)19-22-11-13-24(14-12-22)23-8-4-3-5-9-23/h6-7,10-18,23,33H,3-5,8-9,19-20H2,1-2H3,(H,35,36)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 1.19E+5n/an/an/an/an/an/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


(Mus musculus (mouse))		BDBM50353437
PNG
(CHEMBL1829873 | US10196373, Compound 45I)
Show SMILES CN(CC(=O)N(Cc1ccc(cc1)C1CCCCC1)c1ccc(C(O)=O)c(O)c1)S(=O)(=O)c1ccc(cc1)C#N
Show InChI InChI=1S/C30H31N3O6S/c1-32(40(38,39)26-14-9-21(18-31)10-15-26)20-29(35)33(25-13-16-27(30(36)37)28(34)17-25)19-22-7-11-24(12-8-22)23-5-3-2-4-6-23/h7-17,23,34H,2-6,19-20H2,1H3,(H,36,37)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a>1.26E+5n/an/an/an/an/an/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


(Mus musculus (mouse))		BDBM50353438
PNG
(CHEMBL1829865 | US10196373, Compound 45H)
Show SMILES CN(CC(=O)N(Cc1ccc(cc1)C1CCCCC1)c1ccc(C(O)=O)c(O)c1)S(=O)(=O)c1cn(C)cn1
Show InChI InChI=1S/C27H32N4O6S/c1-29-16-25(28-18-29)38(36,37)30(2)17-26(33)31(22-12-13-23(27(34)35)24(32)14-22)15-19-8-10-21(11-9-19)20-6-4-3-5-7-20/h8-14,16,18,20,32H,3-7,15,17H2,1-2H3,(H,34,35)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>3.00E+5n/an/an/an/an/an/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


(Mus musculus (mouse))		BDBM50353434
PNG
(CHEMBL1829867 | US10196373, Compound 45L)
Show SMILES CN(CC(=O)N(Cc1ccc(cc1)C1CCCCC1)c1ccc(C(O)=O)c(O)c1)S(=O)(=O)c1ccc(F)cc1
Show InChI InChI=1S/C29H31FN2O6S/c1-31(39(37,38)25-14-11-23(30)12-15-25)19-28(34)32(24-13-16-26(29(35)36)27(33)17-24)18-20-7-9-22(10-8-20)21-5-3-2-4-6-21/h7-17,21,33H,2-6,18-19H2,1H3,(H,35,36)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a>3.00E+5n/an/an/an/an/an/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
* indicates data uncertainty>20%