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Compile Data Set for Download or QSAR

Found 17 hits with Last Name = 'bast' and Initial = 'rc'   
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
PDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
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
PDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
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