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Compile Data Set for Download or QSAR

Found 52 hits with Last Name = 'birtwistle' and Initial = 'js'   
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))
BDBM50343634
PNG
(4-((E)-4-((S)-1-((1R,2S,5S)-2-((S)-5-amino-1-(benz...)
Show SMILES CCCC[C@H](NC(=O)\C=C(/C)c1ccc(OP(O)(O)=O)cc1)C(=O)N1C[C@H]2C[C@H]2[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)NCc1ccccc1 |r|
Show InChI InChI=1S/C34H44N5O9P/c1-3-4-10-28(37-30(41)17-21(2)23-11-13-25(14-12-23)48-49(45,46)47)34(44)39-20-24-18-26(24)31(39)33(43)38-27(15-16-29(35)40)32(42)36-19-22-8-6-5-7-9-22/h5-9,11-14,17,24,26-28,31H,3-4,10,15-16,18-20H2,1-2H3,(H2,35,40)(H,36,42)(H,37,41)(H,38,43)(H2,45,46,47)/b21-17+/t24-,26-,27+,28+,31+/m1/s1
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33n/an/an/an/an/an/an/an/a



University of Texas M. D. Anderson Cancer Center

Curated by ChEMBL


Assay Description
Binding affinity to SH2 domain of Stat3 by fluorescence polarization assay


J Med Chem 54: 3549-63 (2011)


Article DOI: 10.1021/jm2000882
BindingDB Entry DOI: 10.7270/Q2G44QMM
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 3


(Homo sapiens (Human))
BDBM50343641
PNG
(CHEMBL1774964 | cis-4-((E)-4-((S)-4-methyl-1-oxo-1...)
Show SMILES CC(C)C[C@H](NC(=O)C=C(C)c1ccc(OP(O)(O)=O)cc1)C(=O)N1C[C@H]2C[C@H]2[C@H]1C(=O)NCCNC(N)=O |r,w:8.7|
Show InChI InChI=1S/C25H36N5O8P/c1-14(2)10-20(29-21(31)11-15(3)16-4-6-18(7-5-16)38-39(35,36)37)24(33)30-13-17-12-19(17)22(30)23(32)27-8-9-28-25(26)34/h4-7,11,14,17,19-20,22H,8-10,12-13H2,1-3H3,(H,27,32)(H,29,31)(H3,26,28,34)(H2,35,36,37)/t17-,19-,20+,22+/m1/s1
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39n/an/an/an/an/an/an/an/a



University of Texas M. D. Anderson Cancer Center

Curated by ChEMBL


Assay Description
Binding affinity to SH2 domain of Stat3 by fluorescence polarization assay


J Med Chem 54: 3549-63 (2011)


Article DOI: 10.1021/jm2000882
BindingDB Entry DOI: 10.7270/Q2G44QMM
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 3


(Homo sapiens (Human))
BDBM50343632
PNG
(4-((E)-4-((S)-1-((1R,2S,5S)-2-((S)-5-amino-1-(benz...)
Show SMILES CC(C)C[C@H](NC(=O)\C=C(/C)c1ccc(OP(O)(O)=O)cc1)C(=O)N1C[C@H]2C[C@H]2[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)NCc1ccccc1 |r|
Show InChI InChI=1S/C34H44N5O9P/c1-20(2)15-28(37-30(41)16-21(3)23-9-11-25(12-10-23)48-49(45,46)47)34(44)39-19-24-17-26(24)31(39)33(43)38-27(13-14-29(35)40)32(42)36-18-22-7-5-4-6-8-22/h4-12,16,20,24,26-28,31H,13-15,17-19H2,1-3H3,(H2,35,40)(H,36,42)(H,37,41)(H,38,43)(H2,45,46,47)/b21-16+/t24-,26-,27+,28+,31+/m1/s1
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43n/an/an/an/an/an/an/an/a



University of Texas M. D. Anderson Cancer Center

Curated by ChEMBL


Assay Description
Binding affinity to SH2 domain of Stat3 by fluorescence polarization assay


J Med Chem 54: 3549-63 (2011)


Article DOI: 10.1021/jm2000882
BindingDB Entry DOI: 10.7270/Q2G44QMM
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 3


(Homo sapiens (Human))
BDBM50343644
PNG
(CHEMBL1774967 | cis-4-((E)-4-oxo-4-((S)-1-oxo-1-((...)
Show SMILES CCCC[C@H](NC(=O)C=C(C)c1ccc(OP(O)(O)=O)cc1)C(=O)N1C[C@H]2C[C@H]2[C@H]1C(=O)NCCNC(N)=O |r,w:8.7|
Show InChI InChI=1S/C25H36N5O8P/c1-3-4-5-20(29-21(31)12-15(2)16-6-8-18(9-7-16)38-39(35,36)37)24(33)30-14-17-13-19(17)22(30)23(32)27-10-11-28-25(26)34/h6-9,12,17,19-20,22H,3-5,10-11,13-14H2,1-2H3,(H,27,32)(H,29,31)(H3,26,28,34)(H2,35,36,37)/t17-,19-,20+,22+/m1/s1
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46n/an/an/an/an/an/an/an/a



University of Texas M. D. Anderson Cancer Center

Curated by ChEMBL


Assay Description
Binding affinity to SH2 domain of Stat3 by fluorescence polarization assay


J Med Chem 54: 3549-63 (2011)


Article DOI: 10.1021/jm2000882
BindingDB Entry DOI: 10.7270/Q2G44QMM
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 3


(Homo sapiens (Human))
BDBM50343633
PNG
(4-((E)-3-((S)-1-((1R,2S,5S)-2-((S)-5-amino-1-(benz...)
Show SMILES CCCC[C@H](NC(=O)\C=C\c1ccc(OP(O)(O)=O)cc1)C(=O)N1C[C@H]2C[C@H]2[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)NCc1ccccc1 |r|
Show InChI InChI=1S/C33H42N5O9P/c1-2-3-9-27(36-29(40)17-12-21-10-13-24(14-11-21)47-48(44,45)46)33(43)38-20-23-18-25(23)30(38)32(42)37-26(15-16-28(34)39)31(41)35-19-22-7-5-4-6-8-22/h4-8,10-14,17,23,25-27,30H,2-3,9,15-16,18-20H2,1H3,(H2,34,39)(H,35,41)(H,36,40)(H,37,42)(H2,44,45,46)/b17-12+/t23-,25-,26+,27+,30+/m1/s1
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48n/an/an/an/an/an/an/an/a



University of Texas M. D. Anderson Cancer Center

Curated by ChEMBL


Assay Description
Binding affinity to SH2 domain of Stat3 by fluorescence polarization assay


J Med Chem 54: 3549-63 (2011)


Article DOI: 10.1021/jm2000882
BindingDB Entry DOI: 10.7270/Q2G44QMM
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 3


(Homo sapiens (Human))
BDBM50343635
PNG
(4-((E)-4-((3S,6S)-6-((S)-5-amino-1-(benzylamino)-1...)
Show SMILES C\C(=C/C(=O)N[C@H]1CCc2cccc3C[C@H](N(c23)C1=O)C(=O)N[C@@H](CCC(N)=O)C(=O)NCc1ccccc1)c1ccc(OP(O)(O)=O)cc1 |r|
Show InChI InChI=1S/C35H38N5O9P/c1-21(23-10-13-26(14-11-23)49-50(46,47)48)18-31(42)38-28-15-12-24-8-5-9-25-19-29(40(32(24)25)35(28)45)34(44)39-27(16-17-30(36)41)33(43)37-20-22-6-3-2-4-7-22/h2-11,13-14,18,27-29H,12,15-17,19-20H2,1H3,(H2,36,41)(H,37,43)(H,38,42)(H,39,44)(H2,46,47,48)/b21-18+/t27-,28-,29-/m0/s1
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57n/an/an/an/an/an/an/an/a



University of Texas M. D. Anderson Cancer Center

Curated by ChEMBL


Assay Description
Binding affinity to SH2 domain of Stat3 by fluorescence polarization assay


J Med Chem 54: 3549-63 (2011)


Article DOI: 10.1021/jm2000882
BindingDB Entry DOI: 10.7270/Q2G44QMM
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 3


(Homo sapiens (Human))
BDBM50343631
PNG
(4-((E)-4-((S)-1-((S)-2-((S)-5-amino-1-(benzylamino...)
Show SMILES CC(C)C[C@H](NC(=O)\C=C(/C)c1ccc(OP(O)(O)=O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)NCc1ccccc1 |r|
Show InChI InChI=1S/C33H44N5O9P/c1-21(2)18-27(36-30(40)19-22(3)24-11-13-25(14-12-24)47-48(44,45)46)33(43)38-17-7-10-28(38)32(42)37-26(15-16-29(34)39)31(41)35-20-23-8-5-4-6-9-23/h4-6,8-9,11-14,19,21,26-28H,7,10,15-18,20H2,1-3H3,(H2,34,39)(H,35,41)(H,36,40)(H,37,42)(H2,44,45,46)/b22-19+/t26-,27-,28-/m0/s1
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66n/an/an/an/an/an/an/an/a



University of Texas M. D. Anderson Cancer Center

Curated by ChEMBL


Assay Description
Binding affinity to SH2 domain of Stat3 by fluorescence polarization assay


J Med Chem 54: 3549-63 (2011)


Article DOI: 10.1021/jm2000882
BindingDB Entry DOI: 10.7270/Q2G44QMM
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 3


(Homo sapiens (Human))
BDBM50343642
PNG
(CHEMBL1774965 | cis-4-((E)-4-((S)-1-((1R,2S,5S)-2-...)
Show SMILES CCCC[C@H](NC(=O)\C=C(/C)c1ccc(OP(O)(O)=O)cc1)C(=O)N1C[C@H]2C[C@H]2[C@H]1C(=O)N[C@H](C)CCC(N)=O |r|
Show InChI InChI=1S/C27H39N4O8P/c1-4-5-6-22(30-24(33)13-16(2)18-8-10-20(11-9-18)39-40(36,37)38)27(35)31-15-19-14-21(19)25(31)26(34)29-17(3)7-12-23(28)32/h8-11,13,17,19,21-22,25H,4-7,12,14-15H2,1-3H3,(H2,28,32)(H,29,34)(H,30,33)(H2,36,37,38)/b16-13+/t17-,19-,21-,22+,25+/m1/s1
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66n/an/an/an/an/an/an/an/a



University of Texas M. D. Anderson Cancer Center

Curated by ChEMBL


Assay Description
Binding affinity to SH2 domain of Stat3 by fluorescence polarization assay


J Med Chem 54: 3549-63 (2011)


Article DOI: 10.1021/jm2000882
BindingDB Entry DOI: 10.7270/Q2G44QMM
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 3


(Homo sapiens (Human))
BDBM50343639
PNG
(CHEMBL1774962 | cis-4-((E)-4-((S)-1-((1R,2S,5S)-2-...)
Show SMILES CC(C)C[C@H](NC(=O)\C=C(/C)c1ccc(OP(O)(O)=O)cc1)C(=O)N1C[C@H]2C[C@H]2[C@H]1C(=O)N[C@H](C)CCC(N)=O |r|
Show InChI InChI=1S/C27H39N4O8P/c1-15(2)11-22(30-24(33)12-16(3)18-6-8-20(9-7-18)39-40(36,37)38)27(35)31-14-19-13-21(19)25(31)26(34)29-17(4)5-10-23(28)32/h6-9,12,15,17,19,21-22,25H,5,10-11,13-14H2,1-4H3,(H2,28,32)(H,29,34)(H,30,33)(H2,36,37,38)/b16-12+/t17-,19-,21-,22+,25+/m1/s1
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83n/an/an/an/an/an/an/an/a



University of Texas M. D. Anderson Cancer Center

Curated by ChEMBL


Assay Description
Binding affinity to SH2 domain of Stat3 by fluorescence polarization assay


J Med Chem 54: 3549-63 (2011)


Article DOI: 10.1021/jm2000882
BindingDB Entry DOI: 10.7270/Q2G44QMM
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 3


(Homo sapiens (Human))
BDBM50343638
PNG
(4-((E)-4-((S)-4-methyl-1-oxo-1-((S)-2-(2-ureidoeth...)
Show SMILES CC(C)C[C@H](NC(=O)C=C(C)c1ccc(OP(O)(O)=O)cc1)C(=O)N1CCC[C@H]1C(=O)NCCNC(N)=O |r,w:8.7|
Show InChI InChI=1S/C24H36N5O8P/c1-15(2)13-19(23(32)29-12-4-5-20(29)22(31)26-10-11-27-24(25)33)28-21(30)14-16(3)17-6-8-18(9-7-17)37-38(34,35)36/h6-9,14-15,19-20H,4-5,10-13H2,1-3H3,(H,26,31)(H,28,30)(H3,25,27,33)(H2,34,35,36)/t19-,20-/m0/s1
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94n/an/an/an/an/an/an/an/a



University of Texas M. D. Anderson Cancer Center

Curated by ChEMBL


Assay Description
Binding affinity to SH2 domain of Stat3 by fluorescence polarization assay


J Med Chem 54: 3549-63 (2011)


Article DOI: 10.1021/jm2000882
BindingDB Entry DOI: 10.7270/Q2G44QMM
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 3


(Homo sapiens (Human))
BDBM50343645
PNG
(4-((E)-4-((3S,6S)-6-((R)-5-amino-5-oxopentan-2-ylc...)
Show SMILES C[C@H](CCC(N)=O)NC(=O)[C@@H]1Cc2cccc3CC[C@H](NC(=O)\C=C(/C)c4ccc(OP(O)(O)=O)cc4)C(=O)N1c23 |r|
Show InChI InChI=1S/C28H33N4O8P/c1-16(18-7-10-21(11-8-18)40-41(37,38)39)14-25(34)31-22-12-9-19-4-3-5-20-15-23(32(26(19)20)28(22)36)27(35)30-17(2)6-13-24(29)33/h3-5,7-8,10-11,14,17,22-23H,6,9,12-13,15H2,1-2H3,(H2,29,33)(H,30,35)(H,31,34)(H2,37,38,39)/b16-14+/t17-,22+,23+/m1/s1
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105n/an/an/an/an/an/an/an/a



University of Texas M. D. Anderson Cancer Center

Curated by ChEMBL


Assay Description
Binding affinity to SH2 domain of Stat3 by fluorescence polarization assay


J Med Chem 54: 3549-63 (2011)


Article DOI: 10.1021/jm2000882
BindingDB Entry DOI: 10.7270/Q2G44QMM
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 3


(Homo sapiens (Human))
BDBM50343643
PNG
(CHEMBL1774966 | cis-2-((1R,2S,5S)-3-((S)-2-((E)-3-...)
Show SMILES CCCC[C@H](NC(=O)C=C(C)c1ccc(OP(O)(O)=O)cc1)C(=O)N1C[C@H]2C[C@H]2[C@H]1C(=O)NCCOC(N)=O |r,w:8.7|
Show InChI InChI=1S/C25H35N4O9P/c1-3-4-5-20(28-21(30)12-15(2)16-6-8-18(9-7-16)38-39(34,35)36)24(32)29-14-17-13-19(17)22(29)23(31)27-10-11-37-25(26)33/h6-9,12,17,19-20,22H,3-5,10-11,13-14H2,1-2H3,(H2,26,33)(H,27,31)(H,28,30)(H2,34,35,36)/t17-,19-,20+,22+/m1/s1
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114n/an/an/an/an/an/an/an/a



University of Texas M. D. Anderson Cancer Center

Curated by ChEMBL


Assay Description
Binding affinity to SH2 domain of Stat3 by fluorescence polarization assay


J Med Chem 54: 3549-63 (2011)


Article DOI: 10.1021/jm2000882
BindingDB Entry DOI: 10.7270/Q2G44QMM
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 3


(Homo sapiens (Human))
BDBM50343636
PNG
(4-((E)-4-((S)-1-((S)-2-((R)-5-amino-5-oxopentan-2-...)
Show SMILES CC(C)C[C@H](NC(=O)\C=C(/C)c1ccc(OP(O)(O)=O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@H](C)CCC(N)=O |r|
Show InChI InChI=1S/C26H39N4O8P/c1-16(2)14-21(26(34)30-13-5-6-22(30)25(33)28-18(4)7-12-23(27)31)29-24(32)15-17(3)19-8-10-20(11-9-19)38-39(35,36)37/h8-11,15-16,18,21-22H,5-7,12-14H2,1-4H3,(H2,27,31)(H,28,33)(H,29,32)(H2,35,36,37)/b17-15+/t18-,21+,22+/m1/s1
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144n/an/an/an/an/an/an/an/a



University of Texas M. D. Anderson Cancer Center

Curated by ChEMBL


Assay Description
Binding affinity to SH2 domain of Stat3 by fluorescence polarization assay


J Med Chem 54: 3549-63 (2011)


Article DOI: 10.1021/jm2000882
BindingDB Entry DOI: 10.7270/Q2G44QMM
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 3


(Homo sapiens (Human))
BDBM50343646
PNG
(2-((3S,6S)-4-oxo-3-((E)-3-(4-(phosphonooxy)phenyl)...)
Show SMILES CC(=CC(=O)N[C@H]1CCc2cccc3C[C@H](N(c23)C1=O)C(=O)NCCOC(N)=O)c1ccc(OP(O)(O)=O)cc1 |r,w:2.2|
Show InChI InChI=1S/C26H29N4O9P/c1-15(16-5-8-19(9-6-16)39-40(35,36)37)13-22(31)29-20-10-7-17-3-2-4-18-14-21(30(23(17)18)25(20)33)24(32)28-11-12-38-26(27)34/h2-6,8-9,13,20-21H,7,10-12,14H2,1H3,(H2,27,34)(H,28,32)(H,29,31)(H2,35,36,37)/t20-,21-/m0/s1
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188n/an/an/an/an/an/an/an/a



University of Texas M. D. Anderson Cancer Center

Curated by ChEMBL


Assay Description
Binding affinity to SH2 domain of Stat3 by fluorescence polarization assay


J Med Chem 54: 3549-63 (2011)


Article DOI: 10.1021/jm2000882
BindingDB Entry DOI: 10.7270/Q2G44QMM
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 3


(Homo sapiens (Human))
BDBM50343640
PNG
(CHEMBL1774963 | cis-2-((1R,2S,5S)-3-((S)-4-methyl-...)
Show SMILES CC(C)C[C@H](NC(=O)C=C(C)c1ccc(OP(O)(O)=O)cc1)C(=O)N1C[C@H]2C[C@H]2[C@H]1C(=O)NCCOC(N)=O |r,w:8.7|
Show InChI InChI=1S/C25H35N4O9P/c1-14(2)10-20(28-21(30)11-15(3)16-4-6-18(7-5-16)38-39(34,35)36)24(32)29-13-17-12-19(17)22(29)23(31)27-8-9-37-25(26)33/h4-7,11,14,17,19-20,22H,8-10,12-13H2,1-3H3,(H2,26,33)(H,27,31)(H,28,30)(H2,34,35,36)/t17-,19-,20+,22+/m1/s1
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193n/an/an/an/an/an/an/an/a



University of Texas M. D. Anderson Cancer Center

Curated by ChEMBL


Assay Description
Binding affinity to SH2 domain of Stat3 by fluorescence polarization assay


J Med Chem 54: 3549-63 (2011)


Article DOI: 10.1021/jm2000882
BindingDB Entry DOI: 10.7270/Q2G44QMM
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 3


(Homo sapiens (Human))
BDBM50343637
PNG
(2-((S)-1-((S)-4-methyl-2-((E)-3-(4-(phosphonooxy)p...)
Show SMILES CC(C)C[C@H](NC(=O)C=C(C)c1ccc(OP(O)(O)=O)cc1)C(=O)N1CCC[C@H]1C(=O)NCCOC(N)=O |r,w:8.7|
Show InChI InChI=1S/C24H35N4O9P/c1-15(2)13-19(23(31)28-11-4-5-20(28)22(30)26-10-12-36-24(25)32)27-21(29)14-16(3)17-6-8-18(9-7-17)37-38(33,34)35/h6-9,14-15,19-20H,4-5,10-13H2,1-3H3,(H2,25,32)(H,26,30)(H,27,29)(H2,33,34,35)/t19-,20-/m0/s1
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203n/an/an/an/an/an/an/an/a



University of Texas M. D. Anderson Cancer Center

Curated by ChEMBL


Assay Description
Binding affinity to SH2 domain of Stat3 by fluorescence polarization assay


J Med Chem 54: 3549-63 (2011)


Article DOI: 10.1021/jm2000882
BindingDB Entry DOI: 10.7270/Q2G44QMM
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 3


(Homo sapiens (Human))
BDBM50343647
PNG
(4-((E)-4-oxo-4-((3S,6S)-4-oxo-6-(2-ureidoethylcarb...)
Show SMILES CC(=CC(=O)N[C@H]1CCc2cccc3C[C@H](N(c23)C1=O)C(=O)NCCNC(N)=O)c1ccc(OP(O)(O)=O)cc1 |r,w:2.2|
Show InChI InChI=1S/C26H30N5O8P/c1-15(16-5-8-19(9-6-16)39-40(36,37)38)13-22(32)30-20-10-7-17-3-2-4-18-14-21(31(23(17)18)25(20)34)24(33)28-11-12-29-26(27)35/h2-6,8-9,13,20-21H,7,10-12,14H2,1H3,(H,28,33)(H,30,32)(H3,27,29,35)(H2,36,37,38)/t20-,21-/m0/s1
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386n/an/an/an/an/an/an/an/a



University of Texas M. D. Anderson Cancer Center

Curated by ChEMBL


Assay Description
Binding affinity to SH2 domain of Stat3 by fluorescence polarization assay


J Med Chem 54: 3549-63 (2011)


Article DOI: 10.1021/jm2000882
BindingDB Entry DOI: 10.7270/Q2G44QMM
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 3


(Homo sapiens (Human))
BDBM50267441
PNG
(CHEMBL470227 | pCinn-Leu-Pro-Gln-Thr-NH2)
Show SMILES CC(C)C[C@H](NC(=O)\C=C\c1ccc(OP(O)(O)=O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H]([C@@H](C)O)C(N)=O |r|
Show InChI InChI=1S/C29H43N6O11P/c1-16(2)15-21(32-24(38)13-8-18-6-9-19(10-7-18)46-47(43,44)45)29(42)35-14-4-5-22(35)28(41)33-20(11-12-23(30)37)27(40)34-25(17(3)36)26(31)39/h6-10,13,16-17,20-22,25,36H,4-5,11-12,14-15H2,1-3H3,(H2,30,37)(H2,31,39)(H,32,38)(H,33,41)(H,34,40)(H2,43,44,45)/b13-8+/t17-,20+,21+,22+,25+/m1/s1
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n/an/a 136n/an/an/an/an/an/a



The University of Texas M. D. Anderson Cancer Center

Curated by ChEMBL


Assay Description
Inhibition of Stat3 (unknown origin) by fluorescence polarization assay


J Med Chem 52: 2429-42 (2009)


Article DOI: 10.1021/jm801491w
BindingDB Entry DOI: 10.7270/Q28C9W4V
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 3


(Homo sapiens (Human))
BDBM50198780
PNG
(4-(3-((S)-1-((S)-2-((S)-5-amino-1-(benzylamino)-1,...)
Show SMILES CC(C)C[C@H](NC(=O)\C=C\c1ccc(OP(O)(O)=O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)NCc1ccccc1 |r|
Show InChI InChI=1S/C32H42N5O9P/c1-21(2)19-26(35-29(39)17-12-22-10-13-24(14-11-22)46-47(43,44)45)32(42)37-18-6-9-27(37)31(41)36-25(15-16-28(33)38)30(40)34-20-23-7-4-3-5-8-23/h3-5,7-8,10-14,17,21,25-27H,6,9,15-16,18-20H2,1-2H3,(H2,33,38)(H,34,40)(H,35,39)(H,36,41)(H2,43,44,45)/b17-12+/t25-,26-,27-/m0/s1
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n/an/a 138n/an/an/an/an/an/a



The University of Texas M. D. Anderson Cancer Center

Curated by ChEMBL


Assay Description
Inhibition of Stat3 (unknown origin) by fluorescence polarization assay


J Med Chem 52: 2429-42 (2009)


Article DOI: 10.1021/jm801491w
BindingDB Entry DOI: 10.7270/Q28C9W4V
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 3


(Homo sapiens (Human))
BDBM50267457
PNG
((S)-methyl 5-amino-5-oxo-2-((3S,6S)-4-oxo-3-(3-(4-...)
Show SMILES COC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1Cc2cccc3CC[C@H](NC(=O)\C=C\c4ccc(OP(O)(O)=O)cc4)C(=O)N1c23 |r|
Show InChI InChI=1S/C28H31N4O10P/c1-41-28(37)21(12-13-23(29)33)31-26(35)22-15-18-4-2-3-17-8-11-20(27(36)32(22)25(17)18)30-24(34)14-7-16-5-9-19(10-6-16)42-43(38,39)40/h2-7,9-10,14,20-22H,8,11-13,15H2,1H3,(H2,29,33)(H,30,34)(H,31,35)(H2,38,39,40)/b14-7+/t20-,21-,22-/m0/s1
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n/an/a 141n/an/an/an/an/an/a



The University of Texas M. D. Anderson Cancer Center

Curated by ChEMBL


Assay Description
Inhibition of Stat3 (unknown origin) by fluorescence polarization assay


J Med Chem 52: 2429-42 (2009)


Article DOI: 10.1021/jm801491w
BindingDB Entry DOI: 10.7270/Q28C9W4V
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 3


(Homo sapiens (Human))
BDBM50267451
PNG
(4-(3-((3S,6S)-6-((S)-5-amino-1-(benzylamino)-1,5-d...)
Show SMILES NC(=O)CC[C@H](NC(=O)[C@@H]1Cc2cccc3CC[C@H](NC(=O)\C=C\c4ccc(OP(O)(O)=O)cc4)C(=O)N1c23)C(=O)NCc1ccccc1 |r|
Show InChI InChI=1S/C34H36N5O9P/c35-29(40)17-16-26(32(42)36-20-22-5-2-1-3-6-22)38-33(43)28-19-24-8-4-7-23-12-15-27(34(44)39(28)31(23)24)37-30(41)18-11-21-9-13-25(14-10-21)48-49(45,46)47/h1-11,13-14,18,26-28H,12,15-17,19-20H2,(H2,35,40)(H,36,42)(H,37,41)(H,38,43)(H2,45,46,47)/b18-11+/t26-,27-,28-/m0/s1
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n/an/a 162n/an/an/an/an/an/a



The University of Texas M. D. Anderson Cancer Center

Curated by ChEMBL


Assay Description
Inhibition of Stat3 (unknown origin) by fluorescence polarization assay


J Med Chem 52: 2429-42 (2009)


Article DOI: 10.1021/jm801491w
BindingDB Entry DOI: 10.7270/Q28C9W4V
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 3


(Homo sapiens (Human))
BDBM50267442
PNG
(CHEMBL485921 | pInd-Leu-Pro-Gln-Thr-NH2)
Show SMILES CC(C)C[C@H](NC(=O)c1cc2cc(OP(O)(O)=O)ccc2[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H]([C@@H](C)O)C(N)=O |r|
Show InChI InChI=1S/C29H42N7O11P/c1-14(2)11-21(34-27(41)20-13-16-12-17(47-48(44,45)46)6-7-18(16)32-20)29(43)36-10-4-5-22(36)28(42)33-19(8-9-23(30)38)26(40)35-24(15(3)37)25(31)39/h6-7,12-15,19,21-22,24,32,37H,4-5,8-11H2,1-3H3,(H2,30,38)(H2,31,39)(H,33,42)(H,34,41)(H,35,40)(H2,44,45,46)/t15-,19+,21+,22+,24+/m1/s1
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n/an/a 186n/an/an/an/an/an/a



The University of Texas M. D. Anderson Cancer Center

Curated by ChEMBL


Assay Description
Inhibition of Stat3 (unknown origin) by fluorescence polarization assay


J Med Chem 52: 2429-42 (2009)


Article DOI: 10.1021/jm801491w
BindingDB Entry DOI: 10.7270/Q28C9W4V
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 3


(Homo sapiens (Human))
BDBM50267453
PNG
(2-((3S,6S)-6-((S)-5-amino-1-(benzylamino)-1,5-diox...)
Show SMILES NC(=O)CC[C@H](NC(=O)[C@@H]1Cc2cccc3CC[C@H](NC(=O)c4cc5cc(OP(O)(O)=O)ccc5[nH]4)C(=O)N1c23)C(=O)NCc1ccccc1 |r|
Show InChI InChI=1S/C34H35N6O9P/c35-29(41)14-13-25(31(42)36-18-19-5-2-1-3-6-19)38-33(44)28-17-21-8-4-7-20-9-11-26(34(45)40(28)30(20)21)39-32(43)27-16-22-15-23(49-50(46,47)48)10-12-24(22)37-27/h1-8,10,12,15-16,25-26,28,37H,9,11,13-14,17-18H2,(H2,35,41)(H,36,42)(H,38,44)(H,39,43)(H2,46,47,48)/t25-,26-,28-/m0/s1
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n/an/a 190n/an/an/an/an/an/a



The University of Texas M. D. Anderson Cancer Center

Curated by ChEMBL


Assay Description
Inhibition of Stat3 (unknown origin) by fluorescence polarization assay


J Med Chem 52: 2429-42 (2009)


Article DOI: 10.1021/jm801491w
BindingDB Entry DOI: 10.7270/Q28C9W4V
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 3


(Homo sapiens (Human))
BDBM50267452
PNG
(4-(3-((2S,5S,Z)-2-((S)-5-amino-1-(benzylamino)-1,5...)
Show SMILES NC(=O)CC[C@H](NC(=O)[C@@H]1Cc2cccc3C=C[C@H](NC(=O)\C=C\c4ccc(OP(O)(O)=O)cc4)C(=O)N1c23)C(=O)NCc1ccccc1 |r,c:16|
Show InChI InChI=1S/C34H34N5O9P/c35-29(40)17-16-26(32(42)36-20-22-5-2-1-3-6-22)38-33(43)28-19-24-8-4-7-23-12-15-27(34(44)39(28)31(23)24)37-30(41)18-11-21-9-13-25(14-10-21)48-49(45,46)47/h1-15,18,26-28H,16-17,19-20H2,(H2,35,40)(H,36,42)(H,37,41)(H,38,43)(H2,45,46,47)/b18-11+/t26-,27-,28-/m0/s1
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n/an/a 195n/an/an/an/an/an/a



The University of Texas M. D. Anderson Cancer Center

Curated by ChEMBL


Assay Description
Inhibition of Stat3 (unknown origin) by fluorescence polarization assay


J Med Chem 52: 2429-42 (2009)


Article DOI: 10.1021/jm801491w
BindingDB Entry DOI: 10.7270/Q28C9W4V
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 3


(Homo sapiens (Human))
BDBM50267440
PNG
(4-((S)-2-acetamido-3-((3S,6S)-6-((S)-5-amino-1-((2...)
Show SMILES C[C@@H](O)[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1Cc2cccc3CC[C@H](NC(=O)[C@H](Cc4ccc(OP(O)(O)=O)cc4)NC(C)=O)C(=O)N1c23)C(N)=O |r|
Show InChI InChI=1S/C33H42N7O12P/c1-16(41)27(29(35)44)39-30(45)22(12-13-26(34)43)37-32(47)25-15-20-5-3-4-19-8-11-23(33(48)40(25)28(19)20)38-31(46)24(36-17(2)42)14-18-6-9-21(10-7-18)52-53(49,50)51/h3-7,9-10,16,22-25,27,41H,8,11-15H2,1-2H3,(H2,34,43)(H2,35,44)(H,36,42)(H,37,47)(H,38,46)(H,39,45)(H2,49,50,51)/t16-,22+,23+,24+,25+,27+/m1/s1
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n/an/a 231n/an/an/an/an/an/a



The University of Texas M. D. Anderson Cancer Center

Curated by ChEMBL


Assay Description
Inhibition of Stat3 (unknown origin) by fluorescence polarization assay


J Med Chem 52: 2429-42 (2009)


Article DOI: 10.1021/jm801491w
BindingDB Entry DOI: 10.7270/Q28C9W4V
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 3


(Homo sapiens (Human))
BDBM50267458
PNG
(4-(3-((3S,6S)-6-((S)-1,5-diamino-1,5-dioxopentan-2...)
Show SMILES NC(=O)CC[C@H](NC(=O)[C@@H]1Cc2cccc3CC[C@H](NC(=O)\C=C\c4ccc(OP(O)(O)=O)cc4)C(=O)N1c23)C(N)=O |r|
Show InChI InChI=1S/C27H30N5O9P/c28-22(33)12-11-19(25(29)35)31-26(36)21-14-17-3-1-2-16-7-10-20(27(37)32(21)24(16)17)30-23(34)13-6-15-4-8-18(9-5-15)41-42(38,39)40/h1-6,8-9,13,19-21H,7,10-12,14H2,(H2,28,33)(H2,29,35)(H,30,34)(H,31,36)(H2,38,39,40)/b13-6+/t19-,20-,21-/m0/s1
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n/an/a 233n/an/an/an/an/an/a



The University of Texas M. D. Anderson Cancer Center

Curated by ChEMBL


Assay Description
Inhibition of Stat3 (unknown origin) by fluorescence polarization assay


J Med Chem 52: 2429-42 (2009)


Article DOI: 10.1021/jm801491w
BindingDB Entry DOI: 10.7270/Q28C9W4V
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 3


(Homo sapiens (Human))
BDBM50267459
PNG
(4-(3-((3S,6S)-6-((S)-5-amino-1-(methylamino)-1,5-d...)
Show SMILES CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1Cc2cccc3CC[C@H](NC(=O)\C=C\c4ccc(OP(O)(O)=O)cc4)C(=O)N1c23 |r|
Show InChI InChI=1S/C28H32N5O9P/c1-30-26(36)20(12-13-23(29)34)32-27(37)22-15-18-4-2-3-17-8-11-21(28(38)33(22)25(17)18)31-24(35)14-7-16-5-9-19(10-6-16)42-43(39,40)41/h2-7,9-10,14,20-22H,8,11-13,15H2,1H3,(H2,29,34)(H,30,36)(H,31,35)(H,32,37)(H2,39,40,41)/b14-7+/t20-,21-,22-/m0/s1
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n/an/a 269n/an/an/an/an/an/a



The University of Texas M. D. Anderson Cancer Center

Curated by ChEMBL


Assay Description
Inhibition of Stat3 (unknown origin) by fluorescence polarization assay


J Med Chem 52: 2429-42 (2009)


Article DOI: 10.1021/jm801491w
BindingDB Entry DOI: 10.7270/Q28C9W4V
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 3


(Homo sapiens (Human))
BDBM20193
PNG
(1, Ac-pTyr-Leu-Pro-Gln-Thr-Val-NH2 | 4-[(2S)-2-{[(...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(C)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](C(C)O)C(=O)N[C@@H](C(C)C)C(N)=O |r|
Show InChI InChI=1S/C36H57N8O13P/c1-18(2)16-26(41-33(50)25(39-21(6)46)17-22-9-11-23(12-10-22)57-58(54,55)56)36(53)44-15-7-8-27(44)34(51)40-24(13-14-28(37)47)32(49)43-30(20(5)45)35(52)42-29(19(3)4)31(38)48/h9-12,18-20,24-27,29-30,45H,7-8,13-17H2,1-6H3,(H2,37,47)(H2,38,48)(H,39,46)(H,40,51)(H,41,50)(H,42,52)(H,43,49)(H2,54,55,56)/t20?,24-,25-,26-,27-,29-,30-/m0/s1
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n/an/a 290n/an/an/an/an/an/a



The University of Texas M. D. Anderson Cancer Center

Curated by ChEMBL


Assay Description
Inhibition of Stat3 (unknown origin) by fluorescence polarization assay


J Med Chem 52: 2429-42 (2009)


Article DOI: 10.1021/jm801491w
BindingDB Entry DOI: 10.7270/Q28C9W4V
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 3


(Homo sapiens (Human))
BDBM50267460
PNG
(4-(3-((3S,6S)-6-((S)-5-amino-1-(isopropylamino)-1,...)
Show SMILES CC(C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1Cc2cccc3CC[C@H](NC(=O)\C=C\c4ccc(OP(O)(O)=O)cc4)C(=O)N1c23 |r|
Show InChI InChI=1S/C30H36N5O9P/c1-17(2)32-28(38)22(13-14-25(31)36)34-29(39)24-16-20-5-3-4-19-9-12-23(30(40)35(24)27(19)20)33-26(37)15-8-18-6-10-21(11-7-18)44-45(41,42)43/h3-8,10-11,15,17,22-24H,9,12-14,16H2,1-2H3,(H2,31,36)(H,32,38)(H,33,37)(H,34,39)(H2,41,42,43)/b15-8+/t22-,23-,24-/m0/s1
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n/an/a 305n/an/an/an/an/an/a



The University of Texas M. D. Anderson Cancer Center

Curated by ChEMBL


Assay Description
Inhibition of Stat3 (unknown origin) by fluorescence polarization assay


J Med Chem 52: 2429-42 (2009)


Article DOI: 10.1021/jm801491w
BindingDB Entry DOI: 10.7270/Q28C9W4V
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 3


(Homo sapiens (Human))
BDBM50267456
PNG
((S)-5-amino-5-oxo-2-((3S,6S)-4-oxo-3-(3-(4-(phosph...)
Show SMILES NC(=O)CC[C@H](NC(=O)[C@@H]1Cc2cccc3CC[C@H](NC(=O)\C=C\c4ccc(OP(O)(O)=O)cc4)C(=O)N1c23)C(O)=O |r|
Show InChI InChI=1S/C27H29N4O10P/c28-22(32)12-11-20(27(36)37)30-25(34)21-14-17-3-1-2-16-7-10-19(26(35)31(21)24(16)17)29-23(33)13-6-15-4-8-18(9-5-15)41-42(38,39)40/h1-6,8-9,13,19-21H,7,10-12,14H2,(H2,28,32)(H,29,33)(H,30,34)(H,36,37)(H2,38,39,40)/b13-6+/t19-,20-,21-/m0/s1
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n/an/a 359n/an/an/an/an/an/a



The University of Texas M. D. Anderson Cancer Center

Curated by ChEMBL


Assay Description
Inhibition of Stat3 (unknown origin) by fluorescence polarization assay


J Med Chem 52: 2429-42 (2009)


Article DOI: 10.1021/jm801491w
BindingDB Entry DOI: 10.7270/Q28C9W4V
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 3


(Homo sapiens (Human))
BDBM20233
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(C)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)NCc1ccccc1 |r|
Show InChI InChI=1S/C34H47N6O10P/c1-21(2)18-28(39-32(44)27(37-22(3)41)19-23-11-13-25(14-12-23)50-51(47,48)49)34(46)40-17-7-10-29(40)33(45)38-26(15-16-30(35)42)31(43)36-20-24-8-5-4-6-9-24/h4-6,8-9,11-14,21,26-29H,7,10,15-20H2,1-3H3,(H2,35,42)(H,36,43)(H,37,41)(H,38,45)(H,39,44)(H2,47,48,49)/t26-,27-,28-,29-/m0/s1
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n/an/a 409n/an/an/an/an/an/a



The University of Texas M. D. Anderson Cancer Center

Curated by ChEMBL


Assay Description
Inhibition of Stat3 (unknown origin) by fluorescence polarization assay


J Med Chem 52: 2429-42 (2009)


Article DOI: 10.1021/jm801491w
BindingDB Entry DOI: 10.7270/Q28C9W4V
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 3


(Homo sapiens (Human))
BDBM50267455
PNG
(4-(3-((3S,6S)-6-(3-carbamoylpyrrolidine-1-carbonyl...)
Show SMILES NC(=O)C1CCN(C1)C(=O)[C@@H]1Cc2cccc3CC[C@H](NC(=O)\C=C\c4ccc(OP(O)(O)=O)cc4)C(=O)N1c23 |r|
Show InChI InChI=1S/C27H29N4O8P/c28-25(33)19-12-13-30(15-19)27(35)22-14-18-3-1-2-17-7-10-21(26(34)31(22)24(17)18)29-23(32)11-6-16-4-8-20(9-5-16)39-40(36,37)38/h1-6,8-9,11,19,21-22H,7,10,12-15H2,(H2,28,33)(H,29,32)(H2,36,37,38)/b11-6+/t19?,21-,22-/m0/s1
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n/an/a 595n/an/an/an/an/an/a



The University of Texas M. D. Anderson Cancer Center

Curated by ChEMBL


Assay Description
Inhibition of Stat3 (unknown origin) by fluorescence polarization assay


J Med Chem 52: 2429-42 (2009)


Article DOI: 10.1021/jm801491w
BindingDB Entry DOI: 10.7270/Q28C9W4V
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 3


(Homo sapiens (Human))
BDBM50267448
PNG
(4-(3-((3S,6S,8aS)-3-((S)-5-amino-1-(benzylamino)-1...)
Show SMILES NC(=O)CC[C@H](NC(=O)[C@@H]1CC[C@@H]2CC[C@H](NC(=O)\C=C\c3ccc(OP(O)(O)=O)cc3)C(=O)N12)C(=O)NCc1ccccc1 |r|
Show InChI InChI=1S/C30H36N5O9P/c31-26(36)16-14-23(28(38)32-18-20-4-2-1-3-5-20)34-29(39)25-15-10-21-9-13-24(30(40)35(21)25)33-27(37)17-8-19-6-11-22(12-7-19)44-45(41,42)43/h1-8,11-12,17,21,23-25H,9-10,13-16,18H2,(H2,31,36)(H,32,38)(H,33,37)(H,34,39)(H2,41,42,43)/b17-8+/t21-,23-,24-,25-/m0/s1
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n/an/a 604n/an/an/an/an/an/a



The University of Texas M. D. Anderson Cancer Center

Curated by ChEMBL


Assay Description
Inhibition of Stat3 (unknown origin) by fluorescence polarization assay


J Med Chem 52: 2429-42 (2009)


Article DOI: 10.1021/jm801491w
BindingDB Entry DOI: 10.7270/Q28C9W4V
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 3


(Homo sapiens (Human))
BDBM20195
PNG
(2, Ac-pTyr-Leu-Pro-Gln-Thr-NH2 | 4-[(2S)-2-{[(2S)-...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(C)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](C(C)O)C(N)=O |r|
Show InChI InChI=1S/C31H48N7O12P/c1-16(2)14-23(36-29(44)22(34-18(4)40)15-19-7-9-20(10-8-19)50-51(47,48)49)31(46)38-13-5-6-24(38)30(45)35-21(11-12-25(32)41)28(43)37-26(17(3)39)27(33)42/h7-10,16-17,21-24,26,39H,5-6,11-15H2,1-4H3,(H2,32,41)(H2,33,42)(H,34,40)(H,35,45)(H,36,44)(H,37,43)(H2,47,48,49)/t17?,21-,22-,23-,24-,26-/m0/s1
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n/an/a 739n/an/an/an/an/an/a



The University of Texas M. D. Anderson Cancer Center

Curated by ChEMBL


Assay Description
Inhibition of Stat3 (unknown origin) by fluorescence polarization assay


J Med Chem 52: 2429-42 (2009)


Article DOI: 10.1021/jm801491w
BindingDB Entry DOI: 10.7270/Q28C9W4V
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 3


(Homo sapiens (Human))
BDBM50267454
PNG
(4-((3S,6S)-4-oxo-3-(3-(4-(phosphonooxy)phenyl)acry...)
Show SMILES OC(=O)CCCNC(=O)[C@@H]1Cc2cccc3CC[C@H](NC(=O)\C=C\c4ccc(OP(O)(O)=O)cc4)C(=O)N1c23 |r|
Show InChI InChI=1S/C26H28N3O9P/c30-22(13-8-16-6-10-19(11-7-16)38-39(35,36)37)28-20-12-9-17-3-1-4-18-15-21(29(24(17)18)26(20)34)25(33)27-14-2-5-23(31)32/h1,3-4,6-8,10-11,13,20-21H,2,5,9,12,14-15H2,(H,27,33)(H,28,30)(H,31,32)(H2,35,36,37)/b13-8+/t20-,21-/m0/s1
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n/an/a 815n/an/an/an/an/an/a



The University of Texas M. D. Anderson Cancer Center

Curated by ChEMBL


Assay Description
Inhibition of Stat3 (unknown origin) by fluorescence polarization assay


J Med Chem 52: 2429-42 (2009)


Article DOI: 10.1021/jm801491w
BindingDB Entry DOI: 10.7270/Q28C9W4V
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 3


(Homo sapiens (Human))
BDBM20196
PNG
(3, Ac-pTyr-Leu-Pro-Gln-NH2 | 4-[(2S)-2-{[(2S)-1-[(...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(C)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(N)=O |r|
Show InChI InChI=1S/C27H41N6O10P/c1-15(2)13-21(27(39)33-12-4-5-22(33)26(38)31-19(24(29)36)10-11-23(28)35)32-25(37)20(30-16(3)34)14-17-6-8-18(9-7-17)43-44(40,41)42/h6-9,15,19-22H,4-5,10-14H2,1-3H3,(H2,28,35)(H2,29,36)(H,30,34)(H,31,38)(H,32,37)(H2,40,41,42)/t19-,20-,21-,22-/m0/s1
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n/an/a 856n/an/an/an/an/an/a



The University of Texas M. D. Anderson Cancer Center

Curated by ChEMBL


Assay Description
Inhibition of Stat3 (unknown origin) by fluorescence polarization assay


J Med Chem 52: 2429-42 (2009)


Article DOI: 10.1021/jm801491w
BindingDB Entry DOI: 10.7270/Q28C9W4V
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 3


(Homo sapiens (Human))
BDBM50267445
PNG
(4-((S)-2-acetamido-3-((3R,6S)-6-((S)-5-amino-1-((2...)
Show SMILES C[C@@H](O)[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1Cc2cccc3CC[C@@H](NC(=O)[C@H](Cc4ccc(OP(O)(O)=O)cc4)NC(C)=O)C(=O)N1c23)C(N)=O |r|
Show InChI InChI=1S/C33H42N7O12P/c1-16(41)27(29(35)44)39-30(45)22(12-13-26(34)43)37-32(47)25-15-20-5-3-4-19-8-11-23(33(48)40(25)28(19)20)38-31(46)24(36-17(2)42)14-18-6-9-21(10-7-18)52-53(49,50)51/h3-7,9-10,16,22-25,27,41H,8,11-15H2,1-2H3,(H2,34,43)(H2,35,44)(H,36,42)(H,37,47)(H,38,46)(H,39,45)(H2,49,50,51)/t16-,22+,23-,24+,25+,27+/m1/s1
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n/an/a 1.65E+3n/an/an/an/an/an/a



The University of Texas M. D. Anderson Cancer Center

Curated by ChEMBL


Assay Description
Inhibition of Stat3 (unknown origin) by fluorescence polarization assay


J Med Chem 52: 2429-42 (2009)


Article DOI: 10.1021/jm801491w
BindingDB Entry DOI: 10.7270/Q28C9W4V
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 3


(Homo sapiens (Human))
BDBM50267447
PNG
(4-(3-((3S,6S)-6-((S)-5-amino-1-((2S,3R)-1-amino-3-...)
Show SMILES C[C@@H](O)[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1Cc2cccc3CC[C@H](NC(=O)CCc4ccc(OP(O)(O)=O)cc4)C(=O)N1c23)C(N)=O |r|
Show InChI InChI=1S/C31H39N6O11P/c1-16(38)26(28(33)41)36-29(42)21(12-13-24(32)39)35-30(43)23-15-19-4-2-3-18-8-11-22(31(44)37(23)27(18)19)34-25(40)14-7-17-5-9-20(10-6-17)48-49(45,46)47/h2-6,9-10,16,21-23,26,38H,7-8,11-15H2,1H3,(H2,32,39)(H2,33,41)(H,34,40)(H,35,43)(H,36,42)(H2,45,46,47)/t16-,21+,22+,23+,26+/m1/s1
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n/an/a 3.24E+3n/an/an/an/an/an/a



The University of Texas M. D. Anderson Cancer Center

Curated by ChEMBL


Assay Description
Inhibition of Stat3 (unknown origin) by fluorescence polarization assay


J Med Chem 52: 2429-42 (2009)


Article DOI: 10.1021/jm801491w
BindingDB Entry DOI: 10.7270/Q28C9W4V
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 3


(Homo sapiens (Human))
BDBM50267443
PNG
(4-((S)-2-acetamido-3-((3S,6S,8aS)-3-((S)-5-amino-1...)
Show SMILES C[C@@H](O)[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CC[C@@H]2CC[C@H](NC(=O)[C@H](Cc3ccc(OP(O)(O)=O)cc3)NC(C)=O)C(=O)N12)C(N)=O |r|
Show InChI InChI=1S/C29H42N7O12P/c1-14(37)24(25(31)40)35-26(41)19(10-12-23(30)39)33-28(43)22-11-6-17-5-9-20(29(44)36(17)22)34-27(42)21(32-15(2)38)13-16-3-7-18(8-4-16)48-49(45,46)47/h3-4,7-8,14,17,19-22,24,37H,5-6,9-13H2,1-2H3,(H2,30,39)(H2,31,40)(H,32,38)(H,33,43)(H,34,42)(H,35,41)(H2,45,46,47)/t14-,17+,19+,20+,21+,22+,24+/m1/s1
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n/an/a 3.53E+3n/an/an/an/an/an/a



The University of Texas M. D. Anderson Cancer Center

Curated by ChEMBL


Assay Description
Inhibition of Stat3 (unknown origin) by fluorescence polarization assay


J Med Chem 52: 2429-42 (2009)


Article DOI: 10.1021/jm801491w
BindingDB Entry DOI: 10.7270/Q28C9W4V
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 3


(Homo sapiens (Human))
BDBM50267446
PNG
(Ac-pTyr-Leu-Indoline-2-carboxylate-Gln-Thr-NH2 | C...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(C)=O)C(=O)N1[C@@H](Cc2ccccc12)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H]([C@@H](C)O)C(N)=O |r|
Show InChI InChI=1S/C35H48N7O12P/c1-18(2)15-26(40-33(48)25(38-20(4)44)16-21-9-11-23(12-10-21)54-55(51,52)53)35(50)42-27-8-6-5-7-22(27)17-28(42)34(49)39-24(13-14-29(36)45)32(47)41-30(19(3)43)31(37)46/h5-12,18-19,24-26,28,30,43H,13-17H2,1-4H3,(H2,36,45)(H2,37,46)(H,38,44)(H,39,49)(H,40,48)(H,41,47)(H2,51,52,53)/t19-,24+,25+,26+,28+,30+/m1/s1
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n/an/a 4.64E+3n/an/an/an/an/an/a



The University of Texas M. D. Anderson Cancer Center

Curated by ChEMBL


Assay Description
Inhibition of Stat3 (unknown origin) by fluorescence polarization assay


J Med Chem 52: 2429-42 (2009)


Article DOI: 10.1021/jm801491w
BindingDB Entry DOI: 10.7270/Q28C9W4V
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 3


(Homo sapiens (Human))
BDBM50267519
PNG
(4-(3-((3S,6S)-6-((S)-1-amino-4-(methylsulfonyl)-1-...)
Show SMILES CS(=O)(=O)CC[C@H](NC(=O)[C@@H]1Cc2cccc3CC[C@H](NC(=O)\C=C\c4ccc(OP(O)(O)=O)cc4)C(=O)N1c23)C(N)=O |r|
Show InChI InChI=1S/C27H31N4O10PS/c1-43(39,40)14-13-20(25(28)33)30-26(34)22-15-18-4-2-3-17-8-11-21(27(35)31(22)24(17)18)29-23(32)12-7-16-5-9-19(10-6-16)41-42(36,37)38/h2-7,9-10,12,20-22H,8,11,13-15H2,1H3,(H2,28,33)(H,29,32)(H,30,34)(H2,36,37,38)/b12-7+/t20-,21-,22-/m0/s1
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n/an/a 7.03E+3n/an/an/an/an/an/a



The University of Texas M. D. Anderson Cancer Center

Curated by ChEMBL


Assay Description
Inhibition of Stat3 (unknown origin) by fluorescence polarization assay


J Med Chem 52: 2429-42 (2009)


Article DOI: 10.1021/jm801491w
BindingDB Entry DOI: 10.7270/Q28C9W4V
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 3


(Homo sapiens (Human))
BDBM50267518
PNG
(4-(3-((3S,6S)-6-((2S)-1-amino-4-(methylsulfinyl)-1...)
Show SMILES CS(=O)CC[C@H](NC(=O)[C@@H]1Cc2cccc3CC[C@H](NC(=O)\C=C\c4ccc(OP(O)(O)=O)cc4)C(=O)N1c23)C(N)=O |r|
Show InChI InChI=1S/C27H31N4O9PS/c1-42(39)14-13-20(25(28)33)30-26(34)22-15-18-4-2-3-17-8-11-21(27(35)31(22)24(17)18)29-23(32)12-7-16-5-9-19(10-6-16)40-41(36,37)38/h2-7,9-10,12,20-22H,8,11,13-15H2,1H3,(H2,28,33)(H,29,32)(H,30,34)(H2,36,37,38)/b12-7+/t20-,21-,22-,42?/m0/s1
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n/an/a 7.60E+3n/an/an/an/an/an/a



The University of Texas M. D. Anderson Cancer Center

Curated by ChEMBL


Assay Description
Inhibition of Stat3 (unknown origin) by fluorescence polarization assay


J Med Chem 52: 2429-42 (2009)


Article DOI: 10.1021/jm801491w
BindingDB Entry DOI: 10.7270/Q28C9W4V
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 3


(Homo sapiens (Human))
BDBM50267517
PNG
(4-(3-((3S,6S)-6-((S)-1-((S)-1-amino-1-oxohexan-2-y...)
Show SMILES CCCC[C@H](NC(=O)[C@H](C)NC(=O)[C@@H]1Cc2cccc3CC[C@H](NC(=O)\C=C\c4ccc(OP(O)(O)=O)cc4)C(=O)N1c23)C(N)=O |r|
Show InChI InChI=1S/C31H38N5O9P/c1-3-4-8-23(28(32)38)35-29(39)18(2)33-30(40)25-17-21-7-5-6-20-12-15-24(31(41)36(25)27(20)21)34-26(37)16-11-19-9-13-22(14-10-19)45-46(42,43)44/h5-7,9-11,13-14,16,18,23-25H,3-4,8,12,15,17H2,1-2H3,(H2,32,38)(H,33,40)(H,34,37)(H,35,39)(H2,42,43,44)/b16-11+/t18-,23-,24-,25-/m0/s1
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n/an/a 1.92E+4n/an/an/an/an/an/a



The University of Texas M. D. Anderson Cancer Center

Curated by ChEMBL


Assay Description
Inhibition of Stat3 (unknown origin) by fluorescence polarization assay


J Med Chem 52: 2429-42 (2009)


Article DOI: 10.1021/jm801491w
BindingDB Entry DOI: 10.7270/Q28C9W4V
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 3


(Homo sapiens (Human))
BDBM50267444
PNG
(4-((S)-2-acetamido-3-((3R,6S,8aR)-3-((S)-5-amino-1...)
Show SMILES C[C@@H](O)[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H]1CC[C@H]2CC[C@H](NC(=O)[C@H](Cc3ccc(OP(O)(O)=O)cc3)NC(C)=O)C(=O)N12)C(N)=O |r|
Show InChI InChI=1S/C29H42N7O12P/c1-14(37)24(25(31)40)35-26(41)19(10-12-23(30)39)33-28(43)22-11-6-17-5-9-20(29(44)36(17)22)34-27(42)21(32-15(2)38)13-16-3-7-18(8-4-16)48-49(45,46)47/h3-4,7-8,14,17,19-22,24,37H,5-6,9-13H2,1-2H3,(H2,30,39)(H2,31,40)(H,32,38)(H,33,43)(H,34,42)(H,35,41)(H2,45,46,47)/t14-,17-,19+,20+,21+,22-,24+/m1/s1
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n/an/a 2.47E+4n/an/an/an/an/an/a



The University of Texas M. D. Anderson Cancer Center

Curated by ChEMBL


Assay Description
Inhibition of Stat3 (unknown origin) by fluorescence polarization assay


J Med Chem 52: 2429-42 (2009)


Article DOI: 10.1021/jm801491w
BindingDB Entry DOI: 10.7270/Q28C9W4V
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 3


(Homo sapiens (Human))
BDBM50267516
PNG
(4-(3-((3S,6S)-6-((S)-1-amino-1-oxopropan-2-ylcarba...)
Show SMILES C[C@H](NC(=O)[C@@H]1Cc2cccc3CC[C@H](NC(=O)\C=C\c4ccc(OP(O)(O)=O)cc4)C(=O)N1c23)C(N)=O |r|
Show InChI InChI=1S/C25H27N4O8P/c1-14(23(26)31)27-24(32)20-13-17-4-2-3-16-8-11-19(25(33)29(20)22(16)17)28-21(30)12-7-15-5-9-18(10-6-15)37-38(34,35)36/h2-7,9-10,12,14,19-20H,8,11,13H2,1H3,(H2,26,31)(H,27,32)(H,28,30)(H2,34,35,36)/b12-7+/t14-,19-,20-/m0/s1
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n/an/a 2.51E+4n/an/an/an/an/an/a



The University of Texas M. D. Anderson Cancer Center

Curated by ChEMBL


Assay Description
Inhibition of Stat3 (unknown origin) by fluorescence polarization assay


J Med Chem 52: 2429-42 (2009)


Article DOI: 10.1021/jm801491w
BindingDB Entry DOI: 10.7270/Q28C9W4V
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 3


(Homo sapiens (Human))
BDBM50267515
PNG
(4-[(1E)-2-{[(2S,11S)-2-carbamoyl-12-oxo-1-azatricy...)
Show SMILES NC(=O)[C@@H]1Cc2cccc3CC[C@H](NC(=O)\C=C\c4ccc(OP(O)(O)=O)cc4)C(=O)N1c23 |r|
Show InChI InChI=1S/C22H22N3O7P/c23-21(27)18-12-15-3-1-2-14-7-10-17(22(28)25(18)20(14)15)24-19(26)11-6-13-4-8-16(9-5-13)32-33(29,30)31/h1-6,8-9,11,17-18H,7,10,12H2,(H2,23,27)(H,24,26)(H2,29,30,31)/b11-6+/t17-,18-/m0/s1
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n/an/a 3.56E+4n/an/an/an/an/an/a



The University of Texas M. D. Anderson Cancer Center

Curated by ChEMBL


Assay Description
Inhibition of Stat3 (unknown origin) by fluorescence polarization assay


J Med Chem 52: 2429-42 (2009)


Article DOI: 10.1021/jm801491w
BindingDB Entry DOI: 10.7270/Q28C9W4V
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 3


(Homo sapiens (Human))
BDBM50267449
PNG
(4-(3-((3S,6S,8aR)-3-((S)-5-amino-1-(benzylamino)-1...)
Show SMILES NC(=O)CC[C@H](NC(=O)[C@@H]1CC[C@H]2CC[C@H](NC(=O)\C=C\c3ccc(OP(O)(O)=O)cc3)C(=O)N12)C(=O)NCc1ccccc1 |r|
Show InChI InChI=1S/C30H36N5O9P/c31-26(36)16-14-23(28(38)32-18-20-4-2-1-3-5-20)34-29(39)25-15-10-21-9-13-24(30(40)35(21)25)33-27(37)17-8-19-6-11-22(12-7-19)44-45(41,42)43/h1-8,11-12,17,21,23-25H,9-10,13-16,18H2,(H2,31,36)(H,32,38)(H,33,37)(H,34,39)(H2,41,42,43)/b17-8+/t21-,23+,24+,25+/m1/s1
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n/an/a 4.57E+4n/an/an/an/an/an/a



The University of Texas M. D. Anderson Cancer Center

Curated by ChEMBL


Assay Description
Inhibition of Stat3 (unknown origin) by fluorescence polarization assay


J Med Chem 52: 2429-42 (2009)


Article DOI: 10.1021/jm801491w
BindingDB Entry DOI: 10.7270/Q28C9W4V
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 3


(Homo sapiens (Human))
BDBM50267450
PNG
(4-(3-((3R,6S,8aR)-3-((S)-5-amino-1-(benzylamino)-1...)
Show SMILES NC(=O)CC[C@H](NC(=O)[C@H]1CC[C@H]2CC[C@H](NC(=O)\C=C\c3ccc(OP(O)(O)=O)cc3)C(=O)N12)C(=O)NCc1ccccc1 |r|
Show InChI InChI=1S/C30H36N5O9P/c31-26(36)16-14-23(28(38)32-18-20-4-2-1-3-5-20)34-29(39)25-15-10-21-9-13-24(30(40)35(21)25)33-27(37)17-8-19-6-11-22(12-7-19)44-45(41,42)43/h1-8,11-12,17,21,23-25H,9-10,13-16,18H2,(H2,31,36)(H,32,38)(H,33,37)(H,34,39)(H2,41,42,43)/b17-8+/t21-,23+,24+,25-/m1/s1
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n/an/a 5.98E+4n/an/an/an/an/an/a



The University of Texas M. D. Anderson Cancer Center

Curated by ChEMBL


Assay Description
Inhibition of Stat3 (unknown origin) by fluorescence polarization assay


J Med Chem 52: 2429-42 (2009)


Article DOI: 10.1021/jm801491w
BindingDB Entry DOI: 10.7270/Q28C9W4V
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 3


(Homo sapiens (Human))
BDBM50293278
PNG
(3-phosphoryloxyCinn-Leu-Pro-Gln-Thr-NH2 | CHEMBL50...)
Show SMILES CC(C)C[C@H](NC(=O)\C=C\c1cccc(OP(O)(O)=O)c1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H]([C@@H](C)O)C(N)=O |r|
Show InChI InChI=1S/C29H43N6O11P/c1-16(2)14-21(32-24(38)12-9-18-6-4-7-19(15-18)46-47(43,44)45)29(42)35-13-5-8-22(35)28(41)33-20(10-11-23(30)37)27(40)34-25(17(3)36)26(31)39/h4,6-7,9,12,15-17,20-22,25,36H,5,8,10-11,13-14H2,1-3H3,(H2,30,37)(H2,31,39)(H,32,38)(H,33,41)(H,34,40)(H2,43,44,45)/b12-9+/t17-,20+,21+,22+,25+/m1/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



The University of Texas M. D. Anderson Cancer Center

Curated by ChEMBL


Assay Description
Inhibition of Stat3 (unknown origin) by fluorescence polarization assay


J Med Chem 52: 2429-42 (2009)


Article DOI: 10.1021/jm801491w
BindingDB Entry DOI: 10.7270/Q28C9W4V
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 3


(Homo sapiens (Human))
BDBM50293275
PNG
(2-phosphoryloxy-7-carbonyl-naphthyl-Leu-Pro-Gln-Th...)
Show SMILES CC(C)C[C@H](NC(=O)c1ccc2cc(OP(O)(O)=O)ccc2c1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H]([C@@H](C)O)C(N)=O |r|
Show InChI InChI=1S/C31H43N6O11P/c1-16(2)13-23(35-28(41)20-7-6-19-15-21(48-49(45,46)47)9-8-18(19)14-20)31(44)37-12-4-5-24(37)30(43)34-22(10-11-25(32)39)29(42)36-26(17(3)38)27(33)40/h6-9,14-17,22-24,26,38H,4-5,10-13H2,1-3H3,(H2,32,39)(H2,33,40)(H,34,43)(H,35,41)(H,36,42)(H2,45,46,47)/t17-,22+,23+,24+,26+/m1/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



The University of Texas M. D. Anderson Cancer Center

Curated by ChEMBL


Assay Description
Inhibition of Stat3 (unknown origin) by fluorescence polarization assay


J Med Chem 52: 2429-42 (2009)


Article DOI: 10.1021/jm801491w
BindingDB Entry DOI: 10.7270/Q28C9W4V
More data for this
Ligand-Target Pair
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