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Compile Data Set for Download or QSAR

Found 85 hits with Last Name = 'coleman' and Initial = 'dr'   
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


(Mus musculus (mouse))
BDBM20242
PNG
(4-[(2S)-2-{[(2S)-1-[(1R,2S,5S)-2-{[(1S)-1-(benzylc...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(=O)CCc1ccccc1)C(=O)N1C[C@H]2C[C@H]2[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)NCc1ccccc1
Show InChI InChI=1S/C42H53N6O10P/c1-26(2)21-35(47-40(52)34(45-37(50)20-15-27-9-5-3-6-10-27)22-28-13-16-31(17-14-28)58-59(55,56)57)42(54)48-25-30-23-32(30)38(48)41(53)46-33(18-19-36(43)49)39(51)44-24-29-11-7-4-8-12-29/h3-14,16-17,26,30,32-35,38H,15,18-25H2,1-2H3,(H2,43,49)(H,44,51)(H,45,50)(H,46,53)(H,47,52)(H2,55,56,57)/t30-,32-,33+,34+,35+,38+/m1/s1
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n/an/a 125n/an/an/an/an/an/a



The University of Texas at Houston



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


J Med Chem 48: 6661-70 (2005)


Article DOI: 10.1021/jm050513m
BindingDB Entry DOI: 10.7270/Q2TH8JZF
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


(Mus musculus (mouse))
BDBM20211
PNG
(18, Ac-pTyr-Leu-cis-3,4-methanoPro-Gln-Thr-NH2-1 |...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(C)=O)C(=O)N1C[C@H]2C[C@H]2[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](C(C)O)C(N)=O
Show InChI InChI=1S/C32H48N7O12P/c1-15(2)11-24(37-30(45)23(35-17(4)41)12-18-5-7-20(8-6-18)51-52(48,49)50)32(47)39-14-19-13-21(19)27(39)31(46)36-22(9-10-25(33)42)29(44)38-26(16(3)40)28(34)43/h5-8,15-16,19,21-24,26-27,40H,9-14H2,1-4H3,(H2,33,42)(H2,34,43)(H,35,41)(H,36,46)(H,37,45)(H,38,44)(H2,48,49,50)/t16?,19-,21-,22+,23+,24+,26+,27+/m1/s1
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n/an/a 265n/an/an/an/a7.522



The University of Texas at Houston



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


J Med Chem 48: 6661-70 (2005)


Article DOI: 10.1021/jm050513m
BindingDB Entry DOI: 10.7270/Q2TH8JZF
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


(Mus musculus (mouse))
BDBM20200
PNG
(4-[(2S)-2-{[(2S)-1-[(2S)-2-{[(1S)-3-carbamoyl-1-{[...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(=O)CCc1ccccc1)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/C38H54N7O12P/c1-22(2)20-29(38(53)45-19-7-10-30(45)37(52)42-27(16-17-31(39)47)35(50)44-33(23(3)46)34(40)49)43-36(51)28(41-32(48)18-13-24-8-5-4-6-9-24)21-25-11-14-26(15-12-25)57-58(54,55)56/h4-6,8-9,11-12,14-15,22-23,27-30,33,46H,7,10,13,16-21H2,1-3H3,(H2,39,47)(H2,40,49)(H,41,48)(H,42,52)(H,43,51)(H,44,50)(H2,54,55,56)/t23?,27-,28-,29-,30-,33-/m0/s1
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n/an/a 276n/an/an/an/a7.522



The University of Texas at Houston



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


J Med Chem 48: 6661-70 (2005)


Article DOI: 10.1021/jm050513m
BindingDB Entry DOI: 10.7270/Q2TH8JZF
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


(Mus musculus (mouse))
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/a7.522



The University of Texas at Houston



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


J Med Chem 48: 6661-70 (2005)


Article DOI: 10.1021/jm050513m
BindingDB Entry DOI: 10.7270/Q2TH8JZF
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


(Mus musculus (mouse))
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 at Houston



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


J Med Chem 48: 6661-70 (2005)


Article DOI: 10.1021/jm050513m
BindingDB Entry DOI: 10.7270/Q2TH8JZF
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 3


(Mus musculus (mouse))
BDBM20210
PNG
(17, Ac-pTyr-Leu-4-hydroxy-Pro-Gln-Thr-NH2 | 4-[(2S...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(C)=O)C(=O)N1C[C@H](O)C[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/C31H48N7O13P/c1-15(2)11-23(36-29(45)22(34-17(4)40)12-18-5-7-20(8-6-18)51-52(48,49)50)31(47)38-14-19(41)13-24(38)30(46)35-21(9-10-25(32)42)28(44)37-26(16(3)39)27(33)43/h5-8,15-16,19,21-24,26,39,41H,9-14H2,1-4H3,(H2,32,42)(H2,33,43)(H,34,40)(H,35,46)(H,36,45)(H,37,44)(H2,48,49,50)/t16?,19-,21+,22+,23+,24+,26+/m1/s1
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n/an/a 484n/an/an/an/a7.522



The University of Texas at Houston



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


J Med Chem 48: 6661-70 (2005)


Article DOI: 10.1021/jm050513m
BindingDB Entry DOI: 10.7270/Q2TH8JZF
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 3


(Mus musculus (mouse))
BDBM20198
PNG
(4-[(2S)-2-{[(2S)-1-[(2S)-2-{[(1S)-3-carbamoyl-1-{[...)
Show SMILES CCC(=O)N[C@@H](Cc1ccc(OP(O)(O)=O)cc1)C(=O)N[C@@H](CC(C)C)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/C32H50N7O12P/c1-5-26(42)35-22(16-19-8-10-20(11-9-19)51-52(48,49)50)30(45)37-23(15-17(2)3)32(47)39-14-6-7-24(39)31(46)36-21(12-13-25(33)41)29(44)38-27(18(4)40)28(34)43/h8-11,17-18,21-24,27,40H,5-7,12-16H2,1-4H3,(H2,33,41)(H2,34,43)(H,35,42)(H,36,46)(H,37,45)(H,38,44)(H2,48,49,50)/t18?,21-,22-,23-,24-,27-/m0/s1
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n/an/a 497n/an/an/an/a7.522



The University of Texas at Houston



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


J Med Chem 48: 6661-70 (2005)


Article DOI: 10.1021/jm050513m
BindingDB Entry DOI: 10.7270/Q2TH8JZF
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


(Mus musculus (mouse))
BDBM20234
PNG
(4-[(2S)-2-{[(2S)-1-[(2S)-2-{[(1S)-3-carbamoyl-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(=O)N[C@@H](C)c1ccccc1 |r|
Show InChI InChI=1S/C35H49N6O10P/c1-21(2)19-29(40-33(45)28(38-23(4)42)20-24-12-14-26(15-13-24)51-52(48,49)50)35(47)41-18-8-11-30(41)34(46)39-27(16-17-31(36)43)32(44)37-22(3)25-9-6-5-7-10-25/h5-7,9-10,12-15,21-22,27-30H,8,11,16-20H2,1-4H3,(H2,36,43)(H,37,44)(H,38,42)(H,39,46)(H,40,45)(H2,48,49,50)/t22-,27-,28-,29-,30-/m0/s1
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n/an/a 596n/an/an/an/an/an/a



The University of Texas at Houston



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


J Med Chem 48: 6661-70 (2005)


Article DOI: 10.1021/jm050513m
BindingDB Entry DOI: 10.7270/Q2TH8JZF
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


(Mus musculus (mouse))
BDBM20205
PNG
(12, Ac-pTyr-Nle-Pro-Gln-Thr-NH2 | 4-[(2S)-2-{[(2S)...)
Show SMILES CCCC[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/c1-4-5-7-22(36-29(44)23(34-18(3)40)16-19-9-11-20(12-10-19)50-51(47,48)49)31(46)38-15-6-8-24(38)30(45)35-21(13-14-25(32)41)28(43)37-26(17(2)39)27(33)42/h9-12,17,21-24,26,39H,4-8,13-16H2,1-3H3,(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 717n/an/an/an/a7.522



The University of Texas at Houston



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


J Med Chem 48: 6661-70 (2005)


Article DOI: 10.1021/jm050513m
BindingDB Entry DOI: 10.7270/Q2TH8JZF
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


(Mus musculus (mouse))
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/a7.522



The University of Texas at Houston



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


J Med Chem 48: 6661-70 (2005)


Article DOI: 10.1021/jm050513m
BindingDB Entry DOI: 10.7270/Q2TH8JZF
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 3


(Mus musculus (mouse))
BDBM20236
PNG
((2S)-4-carbamoyl-2-{[(2S)-1-[(2S)-2-[(2S)-2-acetam...)
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)=O |r|
Show InChI InChI=1S/C27H40N5O11P/c1-15(2)13-21(26(37)32-12-4-5-22(32)25(36)30-19(27(38)39)10-11-23(28)34)31-24(35)20(29-16(3)33)14-17-6-8-18(9-7-17)43-44(40,41)42/h6-9,15,19-22H,4-5,10-14H2,1-3H3,(H2,28,34)(H,29,33)(H,30,36)(H,31,35)(H,38,39)(H2,40,41,42)/t19-,20-,21-,22-/m0/s1
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n/an/a 748n/an/an/an/an/an/a



The University of Texas at Houston



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


J Med Chem 48: 6661-70 (2005)


Article DOI: 10.1021/jm050513m
BindingDB Entry DOI: 10.7270/Q2TH8JZF
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 3


(Mus musculus (mouse))
BDBM20199
PNG
(4-[(2S)-2-{[(benzyloxy)carbonyl]amino}-2-{[(2S)-1-...)
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)N[C@@H](C(C)O)C(N)=O |r|
Show InChI InChI=1S/C37H52N7O13P/c1-21(2)18-28(36(51)44-17-7-10-29(44)35(50)40-26(15-16-30(38)46)33(48)43-31(22(3)45)32(39)47)41-34(49)27(42-37(52)56-20-24-8-5-4-6-9-24)19-23-11-13-25(14-12-23)57-58(53,54)55/h4-6,8-9,11-14,21-22,26-29,31,45H,7,10,15-20H2,1-3H3,(H2,38,46)(H2,39,47)(H,40,50)(H,41,49)(H,42,52)(H,43,48)(H2,53,54,55)/t22?,26-,27-,28-,29-,31-/m0/s1
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n/an/a 750n/an/an/an/a7.522



The University of Texas at Houston



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


J Med Chem 48: 6661-70 (2005)


Article DOI: 10.1021/jm050513m
BindingDB Entry DOI: 10.7270/Q2TH8JZF
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 3


(Mus musculus (mouse))
BDBM20235
PNG
(4-[(2S)-2-{[(2S)-1-[(2S)-2-{[(1S)-3-carbamoyl-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(=O)N[C@H](C)c1ccccc1 |r|
Show InChI InChI=1S/C35H49N6O10P/c1-21(2)19-29(40-33(45)28(38-23(4)42)20-24-12-14-26(15-13-24)51-52(48,49)50)35(47)41-18-8-11-30(41)34(46)39-27(16-17-31(36)43)32(44)37-22(3)25-9-6-5-7-10-25/h5-7,9-10,12-15,21-22,27-30H,8,11,16-20H2,1-4H3,(H2,36,43)(H,37,44)(H,38,42)(H,39,46)(H,40,45)(H2,48,49,50)/t22-,27+,28+,29+,30+/m1/s1
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n/an/a 801n/an/an/an/an/an/a



The University of Texas at Houston



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


J Med Chem 48: 6661-70 (2005)


Article DOI: 10.1021/jm050513m
BindingDB Entry DOI: 10.7270/Q2TH8JZF
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 3


(Mus musculus (mouse))
BDBM20197
PNG
(4, Benzoyl-pTyr-Leu -Pro-Gln-Thr-NH2 | 4-[(2S)-2-{...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(=O)c1ccccc1)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/C36H50N7O12P/c1-20(2)18-27(36(51)43-17-7-10-28(43)35(50)39-25(15-16-29(37)45)33(48)42-30(21(3)44)31(38)46)41-34(49)26(40-32(47)23-8-5-4-6-9-23)19-22-11-13-24(14-12-22)55-56(52,53)54/h4-6,8-9,11-14,20-21,25-28,30,44H,7,10,15-19H2,1-3H3,(H2,37,45)(H2,38,46)(H,39,50)(H,40,47)(H,41,49)(H,42,48)(H2,52,53,54)/t21?,25-,26-,27-,28-,30-/m0/s1
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n/an/a 814n/an/an/an/a7.522



The University of Texas at Houston



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


J Med Chem 48: 6661-70 (2005)


Article DOI: 10.1021/jm050513m
BindingDB Entry DOI: 10.7270/Q2TH8JZF
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


(Mus musculus (mouse))
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/a7.522



The University of Texas at Houston



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


J Med Chem 48: 6661-70 (2005)


Article DOI: 10.1021/jm050513m
BindingDB Entry DOI: 10.7270/Q2TH8JZF
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


(Mus musculus (mouse))
BDBM20232
PNG
(39, Ac-pTyr-Leu-Pro-Gln-NHMe | 4-[(2S)-2-{[(2S)-1-...)
Show SMILES CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(C)=O |r|
Show InChI InChI=1S/C28H43N6O10P/c1-16(2)14-22(28(40)34-13-5-6-23(34)27(39)32-20(25(37)30-4)11-12-24(29)36)33-26(38)21(31-17(3)35)15-18-7-9-19(10-8-18)44-45(41,42)43/h7-10,16,20-23H,5-6,11-15H2,1-4H3,(H2,29,36)(H,30,37)(H,31,35)(H,32,39)(H,33,38)(H2,41,42,43)/t20-,21-,22-,23-/m0/s1
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n/an/a 882n/an/an/an/an/an/a



The University of Texas at Houston



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


J Med Chem 48: 6661-70 (2005)


Article DOI: 10.1021/jm050513m
BindingDB Entry DOI: 10.7270/Q2TH8JZF
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 3


(Mus musculus (mouse))
BDBM20204
PNG
(11, Ac-pTyr-Cha-Pro-Gln-Thr-NH2 | 4-[(2S)-2-{[(2S)...)
Show SMILES CC(O)[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(C)=O)C(N)=O |r|
Show InChI InChI=1S/C34H52N7O12P/c1-19(42)29(30(36)45)40-31(46)24(14-15-28(35)44)38-33(48)27-9-6-16-41(27)34(49)26(18-21-7-4-3-5-8-21)39-32(47)25(37-20(2)43)17-22-10-12-23(13-11-22)53-54(50,51)52/h10-13,19,21,24-27,29,42H,3-9,14-18H2,1-2H3,(H2,35,44)(H2,36,45)(H,37,43)(H,38,48)(H,39,47)(H,40,46)(H2,50,51,52)/t19?,24-,25-,26-,27-,29-/m0/s1
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n/an/a 910n/an/an/an/a7.522



The University of Texas at Houston



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


J Med Chem 48: 6661-70 (2005)


Article DOI: 10.1021/jm050513m
BindingDB Entry DOI: 10.7270/Q2TH8JZF
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 3


(Mus musculus (mouse))
BDBM20202
PNG
(4-[(2S)-2-{[(2S)-1-[(2S)-2-{[(1S)-3-carbamoyl-1-{[...)
Show SMILES CCC(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/c1-5-16(2)25(36-29(44)22(34-18(4)40)15-19-8-10-20(11-9-19)50-51(47,48)49)31(46)38-14-6-7-23(38)30(45)35-21(12-13-24(32)41)28(43)37-26(17(3)39)27(33)42/h8-11,16-17,21-23,25-26,39H,5-7,12-15H2,1-4H3,(H2,32,41)(H2,33,42)(H,34,40)(H,35,45)(H,36,44)(H,37,43)(H2,47,48,49)/t16?,17?,21-,22-,23-,25-,26-/m0/s1
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n/an/a 1.07E+3n/an/an/an/a7.522



The University of Texas at Houston



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


J Med Chem 48: 6661-70 (2005)


Article DOI: 10.1021/jm050513m
BindingDB Entry DOI: 10.7270/Q2TH8JZF
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 3


(Mus musculus (mouse))
BDBM20241
PNG
(4-[(2S)-2-{[(2S)-1-[(2S)-2-{[(1S)-3-carbamoyl-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(=O)N(C)[C@@H](C(C)O)C(N)=O |r|
Show InChI InChI=1S/C32H50N7O12P/c1-17(2)15-24(37-29(44)23(35-19(4)41)16-20-8-10-21(11-9-20)51-52(48,49)50)32(47)39-14-6-7-25(39)30(45)36-22(12-13-26(33)42)31(46)38(5)27(18(3)40)28(34)43/h8-11,17-18,22-25,27,40H,6-7,12-16H2,1-5H3,(H2,33,42)(H2,34,43)(H,35,41)(H,36,45)(H,37,44)(H2,48,49,50)/t18?,22-,23-,24-,25-,27-/m0/s1
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n/an/a 1.22E+3n/an/an/an/an/an/a



The University of Texas at Houston



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


J Med Chem 48: 6661-70 (2005)


Article DOI: 10.1021/jm050513m
BindingDB Entry DOI: 10.7270/Q2TH8JZF
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 3


(Mus musculus (mouse))
BDBM20214
PNG
(21, Ac-pTyr-Leu-Pip-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)N1CCCC[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/C32H50N7O12P/c1-17(2)15-24(37-30(45)23(35-19(4)41)16-20-8-10-21(11-9-20)51-52(48,49)50)32(47)39-14-6-5-7-25(39)31(46)36-22(12-13-26(33)42)29(44)38-27(18(3)40)28(34)43/h8-11,17-18,22-25,27,40H,5-7,12-16H2,1-4H3,(H2,33,42)(H2,34,43)(H,35,41)(H,36,46)(H,37,45)(H,38,44)(H2,48,49,50)/t18?,22-,23-,24-,25-,27-/m0/s1
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n/an/a 1.24E+3n/an/an/an/a7.522



The University of Texas at Houston



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


J Med Chem 48: 6661-70 (2005)


Article DOI: 10.1021/jm050513m
BindingDB Entry DOI: 10.7270/Q2TH8JZF
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 3


(Mus musculus (mouse))
BDBM20230
PNG
(37, Ac-pTyr-Leu-Pro-Cmpi-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)N1CCN(CC(N)=O)CC1 |r|
Show InChI InChI=1S/C28H43N6O9P/c1-18(2)15-23(27(38)34-10-4-5-24(34)28(39)33-13-11-32(12-14-33)17-25(29)36)31-26(37)22(30-19(3)35)16-20-6-8-21(9-7-20)43-44(40,41)42/h6-9,18,22-24H,4-5,10-17H2,1-3H3,(H2,29,36)(H,30,35)(H,31,37)(H2,40,41,42)/t22-,23-,24-/m0/s1
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n/an/a 1.40E+3n/an/an/an/an/an/a



The University of Texas at Houston



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


J Med Chem 48: 6661-70 (2005)


Article DOI: 10.1021/jm050513m
BindingDB Entry DOI: 10.7270/Q2TH8JZF
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 3


(Mus musculus (mouse))
BDBM20201
PNG
(4-[(2S)-2-{[(2S)-1-[(2S)-2-{[(1S)-3-carbamoyl-1-{[...)
Show SMILES CC(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/C30H46N7O12P/c1-15(2)24(35-28(43)21(33-17(4)39)14-18-7-9-19(10-8-18)49-50(46,47)48)30(45)37-13-5-6-22(37)29(44)34-20(11-12-23(31)40)27(42)36-25(16(3)38)26(32)41/h7-10,15-16,20-22,24-25,38H,5-6,11-14H2,1-4H3,(H2,31,40)(H2,32,41)(H,33,39)(H,34,44)(H,35,43)(H,36,42)(H2,46,47,48)/t16?,20-,21-,22-,24-,25-/m0/s1
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n/an/a 1.54E+3n/an/an/an/a7.522



The University of Texas at Houston



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


J Med Chem 48: 6661-70 (2005)


Article DOI: 10.1021/jm050513m
BindingDB Entry DOI: 10.7270/Q2TH8JZF
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


(Mus musculus (mouse))
BDBM20213
PNG
(20, Ac-pTyr-Leu-Azt-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)N1CC[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/C30H46N7O12P/c1-15(2)13-22(35-28(43)21(33-17(4)39)14-18-5-7-19(8-6-18)49-50(46,47)48)30(45)37-12-11-23(37)29(44)34-20(9-10-24(31)40)27(42)36-25(16(3)38)26(32)41/h5-8,15-16,20-23,25,38H,9-14H2,1-4H3,(H2,31,40)(H2,32,41)(H,33,39)(H,34,44)(H,35,43)(H,36,42)(H2,46,47,48)/t16?,20-,21-,22-,23-,25-/m0/s1
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n/an/a 1.66E+3n/an/an/an/a7.522



The University of Texas at Houston



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


J Med Chem 48: 6661-70 (2005)


Article DOI: 10.1021/jm050513m
BindingDB Entry DOI: 10.7270/Q2TH8JZF
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 3


(Mus musculus (mouse))
BDBM20231
PNG
(38, Ac-pTyr-Leu-Pro-PyA-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)N1CCC(CC(N)=O)C1 |r|
Show InChI InChI=1S/C28H42N5O9P/c1-17(2)13-23(27(37)33-11-4-5-24(33)28(38)32-12-10-20(16-32)15-25(29)35)31-26(36)22(30-18(3)34)14-19-6-8-21(9-7-19)42-43(39,40)41/h6-9,17,20,22-24H,4-5,10-16H2,1-3H3,(H2,29,35)(H,30,34)(H,31,36)(H2,39,40,41)/t20?,22-,23-,24-/m0/s1
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n/an/a 1.69E+3n/an/an/an/an/an/a



The University of Texas at Houston



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


J Med Chem 48: 6661-70 (2005)


Article DOI: 10.1021/jm050513m
BindingDB Entry DOI: 10.7270/Q2TH8JZF
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 3


(Mus musculus (mouse))
BDBM20224
PNG
(31, Ac-pTyr-Leu-Pro-Gaba | 4-[(2S)-2-{[(2S)-1-[(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)NCCCC(N)=O |r|
Show InChI InChI=1S/C26H40N5O9P/c1-16(2)14-21(26(36)31-13-5-6-22(31)25(35)28-12-4-7-23(27)33)30-24(34)20(29-17(3)32)15-18-8-10-19(11-9-18)40-41(37,38)39/h8-11,16,20-22H,4-7,12-15H2,1-3H3,(H2,27,33)(H,28,35)(H,29,32)(H,30,34)(H2,37,38,39)/t20-,21-,22-/m0/s1
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n/an/a 1.78E+3n/an/an/an/an/an/a



The University of Texas at Houston



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


J Med Chem 48: 6661-70 (2005)


Article DOI: 10.1021/jm050513m
BindingDB Entry DOI: 10.7270/Q2TH8JZF
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 3


(Mus musculus (mouse))
BDBM20237
PNG
(4-[(2S)-2-{[(2S)-1-[(2S)-2-{[(1S)-3-carbamoyl-1-(d...)
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)C |r|
Show InChI InChI=1S/C29H45N6O10P/c1-17(2)15-23(33-26(38)22(31-18(3)36)16-19-8-10-20(11-9-19)45-46(42,43)44)29(41)35-14-6-7-24(35)27(39)32-21(12-13-25(30)37)28(40)34(4)5/h8-11,17,21-24H,6-7,12-16H2,1-5H3,(H2,30,37)(H,31,36)(H,32,39)(H,33,38)(H2,42,43,44)/t21-,22-,23-,24-/m0/s1
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n/an/a 1.85E+3n/an/an/an/an/an/a



The University of Texas at Houston



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


J Med Chem 48: 6661-70 (2005)


Article DOI: 10.1021/jm050513m
BindingDB Entry DOI: 10.7270/Q2TH8JZF
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 3


(Mus musculus (mouse))
BDBM20209
PNG
(16, Ac-pTyr-Leu-alpha-Me-Pro-Gln-Thr-NH2 | 4-[(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@@]1(C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](C(C)O)C(N)=O |r|
Show InChI InChI=1S/C32H50N7O12P/c1-17(2)15-24(36-29(45)23(35-19(4)41)16-20-7-9-21(10-8-20)51-52(48,49)50)30(46)39-14-6-13-32(39,5)31(47)37-22(11-12-25(33)42)28(44)38-26(18(3)40)27(34)43/h7-10,17-18,22-24,26,40H,6,11-16H2,1-5H3,(H2,33,42)(H2,34,43)(H,35,41)(H,36,45)(H,37,47)(H,38,44)(H2,48,49,50)/t18?,22-,23-,24-,26-,32-/m0/s1
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n/an/a 1.87E+3n/an/an/an/a7.522



The University of Texas at Houston



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


J Med Chem 48: 6661-70 (2005)


Article DOI: 10.1021/jm050513m
BindingDB Entry DOI: 10.7270/Q2TH8JZF
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 3


(Mus musculus (mouse))
BDBM20203
PNG
(10, Ac-pTyr-Phe-Pro-Gln-Thr-NH2 | 4-[(2S)-2-{[(2S)...)
Show SMILES CC(O)[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(C)=O)C(N)=O |r|
Show InChI InChI=1S/C34H46N7O12P/c1-19(42)29(30(36)45)40-31(46)24(14-15-28(35)44)38-33(48)27-9-6-16-41(27)34(49)26(18-21-7-4-3-5-8-21)39-32(47)25(37-20(2)43)17-22-10-12-23(13-11-22)53-54(50,51)52/h3-5,7-8,10-13,19,24-27,29,42H,6,9,14-18H2,1-2H3,(H2,35,44)(H2,36,45)(H,37,43)(H,38,48)(H,39,47)(H,40,46)(H2,50,51,52)/t19?,24-,25-,26-,27-,29-/m0/s1
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n/an/a 1.89E+3n/an/an/an/a7.522



The University of Texas at Houston



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


J Med Chem 48: 6661-70 (2005)


Article DOI: 10.1021/jm050513m
BindingDB Entry DOI: 10.7270/Q2TH8JZF
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 3


(Mus musculus (mouse))
BDBM20239
PNG
(4-[(2S)-2-{[(2S)-1-[(2S)-2-{[(2S)-4-carbamoyl-1-ox...)
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)N1CCCC1 |r|
Show InChI InChI=1S/C31H47N6O10P/c1-19(2)17-25(35-28(40)24(33-20(3)38)18-21-8-10-22(11-9-21)47-48(44,45)46)31(43)37-16-6-7-26(37)29(41)34-23(12-13-27(32)39)30(42)36-14-4-5-15-36/h8-11,19,23-26H,4-7,12-18H2,1-3H3,(H2,32,39)(H,33,38)(H,34,41)(H,35,40)(H2,44,45,46)/t23-,24-,25-,26-/m0/s1
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n/an/a 2.11E+3n/an/an/an/an/an/a



The University of Texas at Houston



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


J Med Chem 48: 6661-70 (2005)


Article DOI: 10.1021/jm050513m
BindingDB Entry DOI: 10.7270/Q2TH8JZF
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 3


(Mus musculus (mouse))
BDBM20228
PNG
(35, Ac-pTyr-Leu-Pro-Nip-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)N1CCC(CC1)C(N)=O |r|
Show InChI InChI=1S/C28H42N5O9P/c1-17(2)15-23(27(37)33-12-4-5-24(33)28(38)32-13-10-20(11-14-32)25(29)35)31-26(36)22(30-18(3)34)16-19-6-8-21(9-7-19)42-43(39,40)41/h6-9,17,20,22-24H,4-5,10-16H2,1-3H3,(H2,29,35)(H,30,34)(H,31,36)(H2,39,40,41)/t22-,23-,24-/m0/s1
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n/an/a 3.02E+3n/an/an/an/an/an/a



The University of Texas at Houston



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


J Med Chem 48: 6661-70 (2005)


Article DOI: 10.1021/jm050513m
BindingDB Entry DOI: 10.7270/Q2TH8JZF
More data for this
Ligand-Target Pair
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