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Compile Data Set for Download or QSAR

Found 3 hits of ki for UniProtKB: P42225   
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
Signal transducer and activator of transcription 1


(Mus musculus)
BDBM50337199
PNG
(4-((S)-3-((S)-1-(6-(Benzylcarbamoyl)-4'-carbamoylb...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(=O)c1ccc(cc1)C#N)C(=O)Nc1ccc(C(=O)NCc2ccccc2)c(c1)-c1ccc(cc1)C(N)=O |r|
Show InChI InChI=1S/C44H43N6O9P/c1-27(2)22-38(50-44(55)39(49-41(52)33-12-8-29(25-45)9-13-33)23-28-10-19-35(20-11-28)59-60(56,57)58)43(54)48-34-18-21-36(42(53)47-26-30-6-4-3-5-7-30)37(24-34)31-14-16-32(17-15-31)40(46)51/h3-21,24,27,38-39H,22-23,26H2,1-2H3,(H2,46,51)(H,47,53)(H,48,54)(H,49,52)(H,50,55)(H2,56,57,58)/t38-,39-/m0/s1
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Article
PubMed
6.30E+3n/an/an/an/an/an/an/an/a



University of Toronto

Curated by ChEMBL


Assay Description
Displacement of 5-carboxyfluorescein-GpYDKPHVL-NH2 from mouse recombinant His-tagged STAT1-SH2 domain expressed in Escherichia coli BL21 (DE3) by flu...


Bioorg Med Chem 19: 1823-38 (2011)


Article DOI: 10.1016/j.bmc.2010.12.010
BindingDB Entry DOI: 10.7270/Q2HQ4058
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 1


(Mus musculus)
BDBM50337198
PNG
((S)-3-(((S)-1-((5-(Benzylcarbamoyl)-4'-carbamoyl-[...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(=O)c1ccc(cc1)C#N)C(=O)Nc1cc(cc(c1)-c1ccc(cc1)C(N)=O)C(=O)NCc1ccccc1 |r|
Show InChI InChI=1S/C44H43N6O9P/c1-27(2)20-38(50-44(55)39(49-42(53)33-12-8-29(25-45)9-13-33)21-28-10-18-37(19-11-28)59-60(56,57)58)43(54)48-36-23-34(31-14-16-32(17-15-31)40(46)51)22-35(24-36)41(52)47-26-30-6-4-3-5-7-30/h3-19,22-24,27,38-39H,20-21,26H2,1-2H3,(H2,46,51)(H,47,52)(H,48,54)(H,49,53)(H,50,55)(H2,56,57,58)/t38-,39-/m0/s1
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PubMed
1.65E+4n/an/an/an/an/an/an/an/a



University of Toronto

Curated by ChEMBL


Assay Description
Displacement of 5-carboxyfluorescein-GpYDKPHVL-NH2 from mouse recombinant His-tagged STAT1-SH2 domain expressed in Escherichia coli BL21 (DE3) by flu...


Bioorg Med Chem 19: 1823-38 (2011)


Article DOI: 10.1016/j.bmc.2010.12.010
BindingDB Entry DOI: 10.7270/Q2HQ4058
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)
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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