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Compile Data Set for Download or QSAR

Found 5 hits of ki for UniProtKB: P42227   
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 3 [127-722]


(Mus musculus (mouse))
BDBM28130
PNG
(4-[(2S)-2-{[(3S)-1-({[(1S)-1-(benzylcarbamoyl)-3-c...)
Show SMILES NC(=O)CC[C@H](NC(=O)CN1CCCC[C@H](NC(=O)[C@H](Cc2ccc(OP(O)(O)=O)cc2)NC(=O)OCc2ccccc2)C1=O)C(=O)NCc1ccccc1 |r|
Show InChI InChI=1S/C37H45N6O11P/c38-32(44)19-18-29(34(46)39-22-26-9-3-1-4-10-26)40-33(45)23-43-20-8-7-13-30(36(43)48)41-35(47)31(42-37(49)53-24-27-11-5-2-6-12-27)21-25-14-16-28(17-15-25)54-55(50,51)52/h1-6,9-12,14-17,29-31H,7-8,13,18-24H2,(H2,38,44)(H,39,46)(H,40,45)(H,41,47)(H,42,49)(H2,50,51,52)/t29-,30-,31-/m0/s1
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Article
PubMed
190 -9.07n/an/an/an/an/a7.522



University of Michigan at Ann Arbor



Assay Description
The assay was based on the fluorescence polarization of the unbound small binding partner will be low, and its binding to a larger binding partner wi...


Bioorg Med Chem Lett 19: 1733-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.091
BindingDB Entry DOI: 10.7270/Q2GB22DC
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 3 [127-722]


(Mus musculus (mouse))
BDBM28128
PNG
(4-[(2S)-2-{[(2S)-1-[(2S)-2-{[(1S)-1-(benzylcarbamo...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(=O)OCc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)NCc1ccccc1 |r|
Show InChI InChI=1S/C40H51N6O11P/c1-26(2)22-33(39(51)46-21-9-14-34(46)38(50)43-31(19-20-35(41)47)36(48)42-24-28-10-5-3-6-11-28)44-37(49)32(45-40(52)56-25-29-12-7-4-8-13-29)23-27-15-17-30(18-16-27)57-58(53,54)55/h3-8,10-13,15-18,26,31-34H,9,14,19-25H2,1-2H3,(H2,41,47)(H,42,48)(H,43,50)(H,44,49)(H,45,52)(H2,53,54,55)/t31-,32-,33-,34-/m0/s1
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PubMed
350 -8.71n/an/an/an/an/a7.522



University of Michigan at Ann Arbor



Assay Description
The assay was based on the fluorescence polarization of the unbound small binding partner will be low, and its binding to a larger binding partner wi...


Bioorg Med Chem Lett 19: 1733-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.091
BindingDB Entry DOI: 10.7270/Q2GB22DC
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 3 [127-722]


(Mus musculus (mouse))
BDBM28129
PNG
(4-[(2S)-2-{[(3S)-1-({[(1S)-1-(benzylcarbamoyl)-3-c...)
Show SMILES NC(=O)CC[C@H](NC(=O)CN1CCC[C@H](NC(=O)[C@H](Cc2ccc(OP(O)(O)=O)cc2)NC(=O)OCc2ccccc2)C1=O)C(=O)NCc1ccccc1 |r|
Show InChI InChI=1S/C36H43N6O11P/c37-31(43)18-17-28(33(45)38-21-25-8-3-1-4-9-25)39-32(44)22-42-19-7-12-29(35(42)47)40-34(46)30(41-36(48)52-23-26-10-5-2-6-11-26)20-24-13-15-27(16-14-24)53-54(49,50)51/h1-6,8-11,13-16,28-30H,7,12,17-23H2,(H2,37,43)(H,38,45)(H,39,44)(H,40,46)(H,41,48)(H2,49,50,51)/t28-,29-,30-/m0/s1
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PubMed
3.13E+3 -7.43n/an/an/an/an/a7.522



University of Michigan at Ann Arbor



Assay Description
The assay was based on the fluorescence polarization of the unbound small binding partner will be low, and its binding to a larger binding partner wi...


Bioorg Med Chem Lett 19: 1733-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.091
BindingDB Entry DOI: 10.7270/Q2GB22DC
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 3 [127-722]


(Mus musculus (mouse))
BDBM20246
PNG
(4-[(2S)-2-{[(1S)-1-{[(6S,9S,12S)-12-{[(1S)-1-carba...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(C)=O)C(=O)N[C@H]1CCCCn2cc(C[C@H](NC(=O)[C@@H](NC1=O)C(C)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)nn2 |r|
Show InChI InChI=1S/C41H57N10O12P/c1-23(2)18-32(46-39(57)33(43-25(4)53)20-27-13-15-29(16-14-27)63-64(60,61)62)38(56)44-30-12-8-9-17-51-22-28(49-50-51)21-34(47-41(59)35(24(3)52)48-37(30)55)40(58)45-31(36(42)54)19-26-10-6-5-7-11-26/h5-7,10-11,13-16,22-24,30-35,52H,8-9,12,17-21H2,1-4H3,(H2,42,54)(H,43,53)(H,44,56)(H,45,58)(H,46,57)(H,47,59)(H,48,55)(H2,60,61,62)/t24?,30-,31-,32-,33-,34-,35-/m0/s1
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Article
PubMed
7.30E+3 -6.93n/an/an/an/an/a7.522



University of Michigan



Assay Description
Fluorescence polarization (FP) binding assay is utilizing the intrinsic property of the fluorescent probe, which will have low polarization value whe...


Bioorg Med Chem Lett 17: 3939-42 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.096
BindingDB Entry DOI: 10.7270/Q2PR7T8K
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 3 [127-722]


(Mus musculus (mouse))
BDBM20244
PNG
(4-[(2S)-2-{[(1S)-1-{[(1S)-5-amino-1-{[(1S,2R)-1-{[...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(C)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C(C)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
Show InChI InChI=1S/C42H66N9O12P/c1-25(2)22-34(50-41(58)35(46-27(4)53)24-29-16-18-30(19-17-29)63-64(60,61)62)40(57)47-32(15-9-11-21-44)39(56)51-36(26(3)52)42(59)48-31(14-8-10-20-43)38(55)49-33(37(45)54)23-28-12-6-5-7-13-28/h5-7,12-13,16-19,25-26,31-36,52H,8-11,14-15,20-24,43-44H2,1-4H3,(H2,45,54)(H,46,53)(H,47,57)(H,48,59)(H,49,55)(H,50,58)(H,51,56)(H2,60,61,62)/t26?,31-,32-,33-,34-,35-,36-/m0/s1
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PubMed
2.59E+4 -6.19n/an/an/an/an/a7.522



University of Michigan



Assay Description
Fluorescence polarization (FP) binding assay is utilizing the intrinsic property of the fluorescent probe, which will have low polarization value whe...


Bioorg Med Chem Lett 17: 3939-42 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.096
BindingDB Entry DOI: 10.7270/Q2PR7T8K
More data for this
Ligand-Target Pair