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Compile Data Set for Download or QSAR

Found 52 hits of kd data for polymerid = 2056,2057   
Target
(Institution)
LigandTarget
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Transcription Factor STAT3


(Mus musculus (mouse))
BDBM50337196
PNG
(CHEMBL1684875 | N2-benzyl-5-((S)-2-((S)-2-(4-cyano...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)c1ccc(cc1)C#N)C(=O)Nc1ccc(C(=O)NCc2ccccc2)c(c1)-c1ccc(cc1)C(N)=O
Show InChI InChI=1S/C44H42N6O6/c1-27(2)22-38(50-44(56)39(23-28-10-19-35(51)20-11-28)49-41(53)33-12-8-29(25-45)9-13-33)43(55)48-34-18-21-36(42(54)47-26-30-6-4-3-5-7-30)37(24-34)31-14-16-32(17-15-31)40(46)52/h3-21,24,27,38-39,51H,22-23,26H2,1-2H3,(H2,46,52)(H,47,54)(H,48,55)(H,49,53)(H,50,56)/t38-,39-/m0/s1
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n/an/an/a 12n/an/an/an/an/a



University of Toronto

Curated by ChEMBL


Assay Description
Inhibition of mouse recombinant SH2 domain of His-tagged full-length STAT3 by surface plasmon resonance assay


Citation and Details
More data for this
Ligand-Target Pair
Transcription Factor STAT3


(Mus musculus (mouse))
BDBM50337197
PNG
(CHEMBL1684876 | N3-benzyl-5-((S)-2-((S)-2-(4-cyano...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)c1ccc(cc1)C#N)C(=O)Nc1cc(cc(c1)-c1ccc(cc1)C(N)=O)C(=O)NCc1ccccc1
Show InChI InChI=1S/C44H42N6O6/c1-27(2)20-38(50-44(56)39(21-28-10-18-37(51)19-11-28)49-42(54)33-12-8-29(25-45)9-13-33)43(55)48-36-23-34(31-14-16-32(17-15-31)40(46)52)22-35(24-36)41(53)47-26-30-6-4-3-5-7-30/h3-19,22-24,27,38-39,51H,20-21,26H2,1-2H3,(H2,46,52)(H,47,53)(H,48,55)(H,49,54)(H,50,56)/t38-,39-/m0/s1
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n/an/an/a 17n/an/an/an/an/a



University of Toronto

Curated by ChEMBL


Assay Description
Inhibition of mouse recombinant SH2 domain of His-tagged full-length STAT3 by surface plasmon resonance assay


Citation and Details
More data for this
Ligand-Target Pair
Transcription Factor STAT3


(Mus musculus (mouse))
BDBM50337195
PNG
(CHEMBL1684871 | GpYLPQTV-NH2)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)C1CCCN1C(=O)CN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H]([C@H](C)O)C(=O)N[C@@H](C(C)C)C(N)=O
Show InChI InChI=1S/C41H64N10O11/c1-21(2)18-28(47-37(58)27(19-24-10-12-25(53)13-11-24)46-38(59)29-8-6-16-50(29)32(55)20-42)41(62)51-17-7-9-30(51)39(60)45-26(14-15-31(43)54)36(57)49-34(23(5)52)40(61)48-33(22(3)4)35(44)56/h10-13,21-23,26-30,33-34,52-53H,6-9,14-20,42H2,1-5H3,(H2,43,54)(H2,44,56)(H,45,60)(H,46,59)(H,47,58)(H,48,61)(H,49,57)/t23-,26-,27-,28-,29?,30-,33-,34-/m0/s1
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n/an/an/a 24n/an/an/an/an/a



University of Toronto

Curated by ChEMBL


Assay Description
Inhibition of mouse recombinant SH2 domain of His-tagged full-length STAT3 by surface plasmon resonance assay


Citation and Details
More data for this
Ligand-Target Pair
Transcription Factor STAT3


(Mus musculus (mouse))
BDBM50337198
PNG
((S)-3-(((S)-1-((5-(Benzylcarbamoyl)-4'-carbamoyl-[...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(=O)c1ccc(cc1)C#N)C(=O)Nc1cc(cc(c1)-c1ccc(cc1)C(N)=O)C(=O)NCc1ccccc1
Show InChI InChI=1S/C44H43N6O9P/c1-27(2)20-38(50-44(55)39(49-42(53)33-12-8-29(25-45)9-13-33)21-28-10-18-37(19-11-28)59-60(56,57)58)43(54)48-36-23-34(31-14-16-32(17-15-31)40(46)51)22-35(24-36)41(52)47-26-30-6-4-3-5-7-30/h3-19,22-24,27,38-39H,20-21,26H2,1-2H3,(H2,46,51)(H,47,52)(H,48,54)(H,49,53)(H,50,55)(H2,56,57,58)/t38-,39-/m0/s1
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n/an/an/a 205n/an/an/an/an/a



University of Toronto

Curated by ChEMBL


Assay Description
Inhibition of mouse recombinant SH2 domain of His-tagged full-length STAT3 by surface plasmon resonance assay


Citation and Details
More data for this
Ligand-Target Pair
Transcription Factor STAT3


(Mus musculus (mouse))
BDBM50335445
PNG
(2-(2-((4-cyclohexylbenzyl)amino)-6-(4-fluorophenox...)
Show SMILES OC(=O)Cn1cnc2c(Oc3ccc(F)cc3)nc(NCc3ccc(cc3)C3CCCCC3)nc12
Show InChI InChI=1S/C26H26FN5O3/c27-20-10-12-21(13-11-20)35-25-23-24(32(16-29-23)15-22(33)34)30-26(31-25)28-14-17-6-8-19(9-7-17)18-4-2-1-3-5-18/h6-13,16,18H,1-5,14-15H2,(H,33,34)(H,28,30,31)
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n/an/an/a 800n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity to mouse Stat3 by surface plasmon resonance assay


Citation and Details
More data for this
Ligand-Target Pair
Transcription Factor STAT3


(Mus musculus (mouse))
BDBM50335444
PNG
(2-(6-(3-bromophenoxy)-2-((4-cyclohexylbenzyl)amino...)
Show SMILES OC(=O)Cn1cnc2c(Oc3cccc(Br)c3)nc(NCc3ccc(cc3)C3CCCCC3)nc12
Show InChI InChI=1S/C26H26BrN5O3/c27-20-7-4-8-21(13-20)35-25-23-24(32(16-29-23)15-22(33)34)30-26(31-25)28-14-17-9-11-19(12-10-17)18-5-2-1-3-6-18/h4,7-13,16,18H,1-3,5-6,14-15H2,(H,33,34)(H,28,30,31)
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n/an/an/a 800n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity to mouse Stat3 by surface plasmon resonance assay


Citation and Details
More data for this
Ligand-Target Pair
Transcription Factor STAT3


(Mus musculus (mouse))
BDBM50335408
PNG
(2-(2-((tert-butoxycarbonyl)(pentyl)amino)-6-(pheny...)
Show SMILES CCCCCN(C(=O)OC(C)(C)C)c1nc(Nc2ccccc2)c2ncn(CC(O)=O)c2n1
Show InChI InChI=1S/C23H30N6O4/c1-5-6-10-13-29(22(32)33-23(2,3)4)21-26-19(25-16-11-8-7-9-12-16)18-20(27-21)28(15-24-18)14-17(30)31/h7-9,11-12,15H,5-6,10,13-14H2,1-4H3,(H,30,31)(H,25,26,27)
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n/an/an/a 900n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity to mouse Stat3 by surface plasmon resonance assay


Citation and Details
More data for this
Ligand-Target Pair
Transcription Factor STAT3


(Mus musculus (mouse))
BDBM50337199
PNG
(4-((S)-3-((S)-1-(6-(Benzylcarbamoyl)-4'-carbamoylb...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(=O)c1ccc(cc1)C#N)C(=O)Nc1ccc(C(=O)NCc2ccccc2)c(c1)-c1ccc(cc1)C(N)=O
Show InChI InChI=1S/C44H43N6O9P/c1-27(2)22-38(50-44(55)39(49-41(52)33-12-8-29(25-45)9-13-33)23-28-10-19-35(20-11-28)59-60(56,57)58)43(54)48-34-18-21-36(42(53)47-26-30-6-4-3-5-7-30)37(24-34)31-14-16-32(17-15-31)40(46)51/h3-21,24,27,38-39H,22-23,26H2,1-2H3,(H2,46,51)(H,47,53)(H,48,54)(H,49,52)(H,50,55)(H2,56,57,58)/t38-,39-/m0/s1
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n/an/an/a 900n/an/an/an/an/a



University of Toronto

Curated by ChEMBL


Assay Description
Inhibition of mouse recombinant SH2 domain of His-tagged full-length STAT3 by surface plasmon resonance assay


Citation and Details
More data for this
Ligand-Target Pair
Transcription Factor STAT3


(Mus musculus (mouse))
BDBM50335401
PNG
(2-(2-(4-cyclohexylbenzylamino)-6-phenoxy-9H-purin-...)
Show SMILES OC(=O)Cn1cnc2c(Oc3ccccc3)nc(NCc3ccc(cc3)C3CCCCC3)nc12
Show InChI InChI=1S/C26H27N5O3/c32-22(33)16-31-17-28-23-24(31)29-26(30-25(23)34-21-9-5-2-6-10-21)27-15-18-11-13-20(14-12-18)19-7-3-1-4-8-19/h2,5-6,9-14,17,19H,1,3-4,7-8,15-16H2,(H,32,33)(H,27,29,30)
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n/an/an/a 1.00E+3n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity to mouse Stat3 by surface plasmon resonance assay


Citation and Details
More data for this
Ligand-Target Pair
Transcription Factor STAT3


(Mus musculus (mouse))
BDBM50335439
PNG
(2-(2-((tert-butoxycarbonyl)(4-cyclohexylbenzyl)ami...)
Show SMILES CC(C)CCNc1nc(NCc2ccc(cc2)C2CCCCC2)nc2n(CC(O)=O)cnc12
Show InChI InChI=1S/C25H34N6O2/c1-17(2)12-13-26-23-22-24(31(16-28-22)15-21(32)33)30-25(29-23)27-14-18-8-10-20(11-9-18)19-6-4-3-5-7-19/h8-11,16-17,19H,3-7,12-15H2,1-2H3,(H,32,33)(H2,26,27,29,30)
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n/an/an/a 1.20E+3n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity to mouse Stat3 by surface plasmon resonance assay


Citation and Details
More data for this
Ligand-Target Pair
Transcription Factor STAT3


(Mus musculus (mouse))
BDBM50335405
PNG
(2-(2-(cyclohexanecarboxamido)-6-morpholino-9H-puri...)
Show SMILES OC(=O)Cn1cnc2c(nc(NC(=O)C3CCCCC3)nc12)N1CCOCC1
Show InChI InChI=1S/C18H24N6O4/c25-13(26)10-24-11-19-14-15(23-6-8-28-9-7-23)20-18(21-16(14)24)22-17(27)12-4-2-1-3-5-12/h11-12H,1-10H2,(H,25,26)(H,20,21,22,27)
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n/an/an/a 1.30E+3n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity to mouse Stat3 by surface plasmon resonance assay


Citation and Details
More data for this
Ligand-Target Pair
Transcription Factor STAT3


(Mus musculus (mouse))
BDBM50335400
PNG
(2-(2-((4-cyclohexylbenzyl)amino)-6-(perfluoropheno...)
Show SMILES OC(=O)Cn1cnc2c(Oc3c(F)c(F)c(F)c(F)c3F)nc(NCc3ccc(cc3)C3CCCCC3)nc12
Show InChI InChI=1S/C26H22F5N5O3/c27-17-18(28)20(30)23(21(31)19(17)29)39-25-22-24(36(12-33-22)11-16(37)38)34-26(35-25)32-10-13-6-8-15(9-7-13)14-4-2-1-3-5-14/h6-9,12,14H,1-5,10-11H2,(H,37,38)(H,32,34,35)
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n/an/an/a 1.30E+3n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity to mouse Stat3 by surface plasmon resonance assay


Citation and Details
More data for this
Ligand-Target Pair
Transcription Factor STAT3


(Mus musculus (mouse))
BDBM50335441
PNG
(2-(2-((4-cyclohexylbenzyl)amino)-6-morpholino-9H-p...)
Show SMILES OC(=O)Cn1cnc2c(nc(NCc3ccc(cc3)C3CCCCC3)nc12)N1CCOCC1
Show InChI InChI=1S/C24H30N6O3/c31-20(32)15-30-16-26-21-22(29-10-12-33-13-11-29)27-24(28-23(21)30)25-14-17-6-8-19(9-7-17)18-4-2-1-3-5-18/h6-9,16,18H,1-5,10-15H2,(H,31,32)(H,25,27,28)
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n/an/an/a 1.80E+3n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity to mouse Stat3 by surface plasmon resonance assay


Citation and Details
More data for this
Ligand-Target Pair
Transcription Factor STAT3


(Mus musculus (mouse))
BDBM50335412
PNG
(2-(2-((tert-butoxycarbonyl)(pentyl)amino)-6-((tetr...)
Show SMILES CCCCCN(C(=O)OC(C)(C)C)c1nc(NC2CCOCC2)c2ncn(CC(O)=O)c2n1
Show InChI InChI=1S/C22H34N6O5/c1-5-6-7-10-28(21(31)33-22(2,3)4)20-25-18(24-15-8-11-32-12-9-15)17-19(26-20)27(14-23-17)13-16(29)30/h14-15H,5-13H2,1-4H3,(H,29,30)(H,24,25,26)
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n/an/an/a 2.00E+3n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity to mouse Stat3 by surface plasmon resonance assay


Citation and Details
More data for this
Ligand-Target Pair
Transcription Factor STAT3


(Mus musculus (mouse))
BDBM50335414
PNG
(2-(6-(benzylamino)-2-(pentylamino)-9H-purin-9-yl)a...)
Show SMILES CCCCCNc1nc(NCc2ccccc2)c2ncn(CC(O)=O)c2n1
Show InChI InChI=1S/C19H24N6O2/c1-2-3-7-10-20-19-23-17(21-11-14-8-5-4-6-9-14)16-18(24-19)25(13-22-16)12-15(26)27/h4-6,8-9,13H,2-3,7,10-12H2,1H3,(H,26,27)(H2,20,21,23,24)
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n/an/an/a 2.20E+3n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity to mouse Stat3 by surface plasmon resonance assay


Citation and Details
More data for this
Ligand-Target Pair
Transcription Factor STAT3


(Mus musculus (mouse))
BDBM50335434
PNG
(2-(2-((4-cyclohexylbenzyl)amino)-6-(cyclopentylami...)
Show SMILES OC(=O)Cn1cnc2c(NC3CCCC3)nc(NCc3ccc(cc3)C3CCCCC3)nc12
Show InChI InChI=1S/C25H32N6O2/c32-21(33)15-31-16-27-22-23(28-20-8-4-5-9-20)29-25(30-24(22)31)26-14-17-10-12-19(13-11-17)18-6-2-1-3-7-18/h10-13,16,18,20H,1-9,14-15H2,(H,32,33)(H2,26,28,29,30)
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n/an/an/a 2.30E+3n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity to mouse Stat3 by surface plasmon resonance assay


Citation and Details
More data for this
Ligand-Target Pair
Transcription Factor STAT3


(Mus musculus (mouse))
BDBM50335416
PNG
(2-(2-(pentylamino)-6-(phenylamino)-9H-purin-9-yl)a...)
Show SMILES CCCCCNc1nc(Nc2ccccc2)c2ncn(CC(O)=O)c2n1
Show InChI InChI=1S/C18H22N6O2/c1-2-3-7-10-19-18-22-16(21-13-8-5-4-6-9-13)15-17(23-18)24(12-20-15)11-14(25)26/h4-6,8-9,12H,2-3,7,10-11H2,1H3,(H,25,26)(H2,19,21,22,23)
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n/an/an/a 2.50E+3n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity to mouse Stat3 by surface plasmon resonance assay


Citation and Details
More data for this
Ligand-Target Pair
Transcription Factor STAT3


(Mus musculus (mouse))
BDBM50353441
PNG
(CHEMBL1829786)
Show SMILES CN(CC(=O)N(Cc1ccc(cc1)C1CCCCC1)c1ccc(C(O)=O)c(O)c1)S(=O)(=O)c1ccc(C)cc1
Show InChI InChI=1S/C30H34N2O6S/c1-21-8-15-26(16-9-21)39(37,38)31(2)20-29(34)32(25-14-17-27(30(35)36)28(33)18-25)19-22-10-12-24(13-11-22)23-6-4-3-5-7-23/h8-18,23,33H,3-7,19-20H2,1-2H3,(H,35,36)
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n/an/an/a 2.74E+3n/an/an/an/an/a



University of Southern California

Curated by ChEMBL


Assay Description
Binding affinity to STAT3 SH2 in v-Src transformed mouse NIH/3T3 cells overexpressing human EGFR


Citation and Details
More data for this
Ligand-Target Pair
Transcription Factor STAT3


(Mus musculus (mouse))
BDBM50335431
PNG
(2-(2-((4-cyclohexylbenzyl)amino)-6-((4-fluoropheny...)
Show SMILES OC(=O)Cn1cnc2c(Nc3ccc(F)cc3)nc(NCc3ccc(cc3)C3CCCCC3)nc12
Show InChI InChI=1S/C26H27FN6O2/c27-20-10-12-21(13-11-20)30-24-23-25(33(16-29-23)15-22(34)35)32-26(31-24)28-14-17-6-8-19(9-7-17)18-4-2-1-3-5-18/h6-13,16,18H,1-5,14-15H2,(H,34,35)(H2,28,30,31,32)
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n/an/an/a 2.80E+3n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity to mouse Stat3 by surface plasmon resonance assay


Citation and Details
More data for this
Ligand-Target Pair
Transcription Factor STAT3


(Mus musculus (mouse))
BDBM50335402
PNG
(2-(6-(benzylamino)-2-(4-cyclohexylbenzamido)-9H-pu...)
Show SMILES OC(=O)Cn1cnc2c(NCc3ccccc3)nc(NC(=O)c3ccc(cc3)C3CCCCC3)nc12
Show InChI InChI=1S/C27H28N6O3/c34-22(35)16-33-17-29-23-24(28-15-18-7-3-1-4-8-18)30-27(31-25(23)33)32-26(36)21-13-11-20(12-14-21)19-9-5-2-6-10-19/h1,3-4,7-8,11-14,17,19H,2,5-6,9-10,15-16H2,(H,34,35)(H2,28,30,31,32,36)
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n/an/an/a 2.90E+3n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity to mouse Stat3 by surface plasmon resonance assay


Citation and Details
More data for this
Ligand-Target Pair
Transcription Factor STAT3


(Mus musculus (mouse))
BDBM50335442
PNG
(2-(2-((4-cyclohexylbenzyl)amino)-6-(3-nitrophenoxy...)
Show SMILES OC(=O)Cn1cnc2c(Oc3cccc(c3)[N+]([O-])=O)nc(NCc3ccc(cc3)C3CCCCC3)nc12
Show InChI InChI=1S/C26H26N6O5/c33-22(34)15-31-16-28-23-24(31)29-26(30-25(23)37-21-8-4-7-20(13-21)32(35)36)27-14-17-9-11-19(12-10-17)18-5-2-1-3-6-18/h4,7-13,16,18H,1-3,5-6,14-15H2,(H,33,34)(H,27,29,30)
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n/an/an/a 3.10E+3n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity to mouse Stat3 by surface plasmon resonance assay


Citation and Details
More data for this
Ligand-Target Pair
Transcription Factor STAT3


(Mus musculus (mouse))
BDBM50335404
PNG
(2-(6-morpholino-2-pentanamido-9H-purin-9-yl)acetic...)
Show SMILES CCCCC(=O)Nc1nc(N2CCOCC2)c2ncn(CC(O)=O)c2n1
Show InChI InChI=1S/C16H22N6O4/c1-2-3-4-11(23)18-16-19-14(21-5-7-26-8-6-21)13-15(20-16)22(10-17-13)9-12(24)25/h10H,2-9H2,1H3,(H,24,25)(H,18,19,20,23)
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n/an/an/a 3.20E+3n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity to mouse Stat3 by surface plasmon resonance assay


Citation and Details
More data for this
Ligand-Target Pair
Transcription Factor STAT3


(Mus musculus (mouse))
BDBM50335430
PNG
(2-(6-(benzyl(methyl)amino)-2-((4-cyclohexylbenzyl)...)
Show SMILES CN(Cc1ccccc1)c1nc(NCc2ccc(cc2)C2CCCCC2)nc2n(CC(O)=O)cnc12
Show InChI InChI=1S/C28H32N6O2/c1-33(17-21-8-4-2-5-9-21)26-25-27(34(19-30-25)18-24(35)36)32-28(31-26)29-16-20-12-14-23(15-13-20)22-10-6-3-7-11-22/h2,4-5,8-9,12-15,19,22H,3,6-7,10-11,16-18H2,1H3,(H,35,36)(H,29,31,32)
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n/an/an/a 4.00E+3n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity to mouse Stat3 by surface plasmon resonance assay


Citation and Details
More data for this
Ligand-Target Pair
Transcription Factor STAT3


(Mus musculus (mouse))
BDBM50335413
PNG
(2-(2-((tert-butoxycarbonyl)(4-cyclohexylbenzyl)ami...)
Show SMILES CC(C)(C)OC(=O)N(Cc1ccc(cc1)C1CCCCC1)c1nc(N2CCOCC2)c2ncn(CC(O)=O)c2n1
Show InChI InChI=1S/C29H38N6O5/c1-29(2,3)40-28(38)35(17-20-9-11-22(12-10-20)21-7-5-4-6-8-21)27-31-25(33-13-15-39-16-14-33)24-26(32-27)34(19-30-24)18-23(36)37/h9-12,19,21H,4-8,13-18H2,1-3H3,(H,36,37)
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n/an/an/a 4.10E+3n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity to mouse Stat3 by surface plasmon resonance assay


Citation and Details
More data for this
Ligand-Target Pair
Transcription Factor STAT3


(Mus musculus (mouse))
BDBM50335426
PNG
(2-(6-morpholino-2-(pentylamino)-9H-purin-9-yl)acet...)
Show SMILES CCCCCNc1nc(N2CCOCC2)c2ncn(CC(O)=O)c2n1
Show InChI InChI=1S/C16H24N6O3/c1-2-3-4-5-17-16-19-14(21-6-8-25-9-7-21)13-15(20-16)22(11-18-13)10-12(23)24/h11H,2-10H2,1H3,(H,23,24)(H,17,19,20)
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n/an/an/a 4.20E+3n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity to mouse Stat3 by surface plasmon resonance assay


Citation and Details
More data for this
Ligand-Target Pair
Transcription Factor STAT3


(Mus musculus (mouse))
BDBM50335429
PNG
(2-(6-(benzylamino)-2-((4-cyclohexylbenzyl)amino)-9...)
Show SMILES OC(=O)Cn1cnc2c(NCc3ccccc3)nc(NCc3ccc(cc3)C3CCCCC3)nc12
Show InChI InChI=1S/C27H30N6O2/c34-23(35)17-33-18-30-24-25(28-15-19-7-3-1-4-8-19)31-27(32-26(24)33)29-16-20-11-13-22(14-12-20)21-9-5-2-6-10-21/h1,3-4,7-8,11-14,18,21H,2,5-6,9-10,15-17H2,(H,34,35)(H2,28,29,31,32)
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n/an/an/a 5.40E+3n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity to mouse Stat3 by surface plasmon resonance assay


Citation and Details
More data for this
Ligand-Target Pair
Transcription Factor STAT3


(Mus musculus (mouse))
BDBM50335423
PNG
(2-(6-(isobutylamino)-2-(pentylamino)-9H-purin-9-yl...)
Show SMILES CCCCCNc1nc(NCC(C)C)c2ncn(CC(O)=O)c2n1
Show InChI InChI=1S/C16H26N6O2/c1-4-5-6-7-17-16-20-14(18-8-11(2)3)13-15(21-16)22(10-19-13)9-12(23)24/h10-11H,4-9H2,1-3H3,(H,23,24)(H2,17,18,20,21)
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n/an/an/a 6.00E+3n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity to mouse Stat3 by surface plasmon resonance assay


Citation and Details
More data for this
Ligand-Target Pair
Transcription Factor STAT3


(Mus musculus (mouse))
BDBM50335419
PNG
(2-(6-(cyclohexylamino)-2-(pentylamino)-9H-purin-9-...)
Show SMILES CCCCCNc1nc(NC2CCCCC2)c2ncn(CC(O)=O)c2n1
Show InChI InChI=1S/C18H28N6O2/c1-2-3-7-10-19-18-22-16(21-13-8-5-4-6-9-13)15-17(23-18)24(12-20-15)11-14(25)26/h12-13H,2-11H2,1H3,(H,25,26)(H2,19,21,22,23)
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n/an/an/a 6.10E+3n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity to mouse Stat3 by surface plasmon resonance assay


Citation and Details
More data for this
Ligand-Target Pair
Transcription Factor STAT3


(Mus musculus (mouse))
BDBM50335418
PNG
(2-(6-(cyclopentylamino)-2-(pentylamino)-9H-purin-9...)
Show SMILES CCCCCNc1nc(NC2CCCC2)c2ncn(CC(O)=O)c2n1
Show InChI InChI=1S/C17H26N6O2/c1-2-3-6-9-18-17-21-15(20-12-7-4-5-8-12)14-16(22-17)23(11-19-14)10-13(24)25/h11-12H,2-10H2,1H3,(H,24,25)(H2,18,20,21,22)
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n/an/an/a 6.40E+3n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity to mouse Stat3 by surface plasmon resonance assay


Citation and Details
More data for this
Ligand-Target Pair
Transcription Factor STAT3


(Mus musculus (mouse))
BDBM50335438
PNG
(2-(2-((4-cyclohexylbenzyl)amino)-6-(isobutylamino)...)
Show SMILES CC(C)CNc1nc(NCc2ccc(cc2)C2CCCCC2)nc2n(CC(O)=O)cnc12
Show InChI InChI=1S/C24H32N6O2/c1-16(2)12-25-22-21-23(30(15-27-21)14-20(31)32)29-24(28-22)26-13-17-8-10-19(11-9-17)18-6-4-3-5-7-18/h8-11,15-16,18H,3-7,12-14H2,1-2H3,(H,31,32)(H2,25,26,28,29)
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n/an/an/a 7.90E+3n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity to mouse Stat3 by surface plasmon resonance assay


Citation and Details
More data for this
Ligand-Target Pair
Transcription Factor STAT3


(Mus musculus (mouse))
BDBM50335433
PNG
(2-(2-((4-cyclohexylbenzyl)amino)-6-((furan-2-ylmet...)
Show SMILES CN(Cc1ccco1)c1nc(NCc2ccc(cc2)C2CCCCC2)nc2n(CC(O)=O)cnc12
Show InChI InChI=1S/C26H30N6O3/c1-31(15-21-8-5-13-35-21)24-23-25(32(17-28-23)16-22(33)34)30-26(29-24)27-14-18-9-11-20(12-10-18)19-6-3-2-4-7-19/h5,8-13,17,19H,2-4,6-7,14-16H2,1H3,(H,33,34)(H,27,29,30)
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n/an/an/a 1.12E+4n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity to mouse Stat3 by surface plasmon resonance assay


Citation and Details
More data for this
Ligand-Target Pair
Transcription Factor STAT3


(Mus musculus (mouse))
BDBM50335407
PNG
(2-(6-(benzyl(methyl)amino)-2-((tert-butoxycarbonyl...)
Show SMILES CCCCCN(C(=O)OC(C)(C)C)c1nc(N(C)Cc2ccccc2)c2ncn(CC(O)=O)c2n1
Show InChI InChI=1S/C25H34N6O4/c1-6-7-11-14-31(24(34)35-25(2,3)4)23-27-21(29(5)15-18-12-9-8-10-13-18)20-22(28-23)30(17-26-20)16-19(32)33/h8-10,12-13,17H,6-7,11,14-16H2,1-5H3,(H,32,33)
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n/an/an/a 1.48E+4n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity to mouse Stat3 by surface plasmon resonance assay


Citation and Details
More data for this
Ligand-Target Pair
Transcription Factor STAT3


(Mus musculus (mouse))
BDBM50335432
PNG
(2-(2-((4-cyclohexylbenzyl)amino)-6-((furan-2-ylmet...)
Show SMILES OC(=O)Cn1cnc2c(NCc3ccco3)nc(NCc3ccc(cc3)C3CCCCC3)nc12
Show InChI InChI=1S/C25H28N6O3/c32-21(33)15-31-16-28-22-23(26-14-20-7-4-12-34-20)29-25(30-24(22)31)27-13-17-8-10-19(11-9-17)18-5-2-1-3-6-18/h4,7-12,16,18H,1-3,5-6,13-15H2,(H,32,33)(H2,26,27,29,30)
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n/an/an/a 1.67E+4n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity to mouse Stat3 by surface plasmon resonance assay


Citation and Details
More data for this
Ligand-Target Pair
Transcription Factor STAT3


(Mus musculus (mouse))
BDBM50335406
PNG
(2-(6-(benzylamino)-2-((tert-butoxycarbonyl)(pentyl...)
Show SMILES CCCCCN(C(=O)OC(C)(C)C)c1nc(NCc2ccccc2)c2ncn(CC(O)=O)c2n1
Show InChI InChI=1S/C24H32N6O4/c1-5-6-10-13-30(23(33)34-24(2,3)4)22-27-20(25-14-17-11-8-7-9-12-17)19-21(28-22)29(16-26-19)15-18(31)32/h7-9,11-12,16H,5-6,10,13-15H2,1-4H3,(H,31,32)(H,25,27,28)
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n/an/an/a 2.79E+4n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity to mouse Stat3 by surface plasmon resonance assay


Citation and Details
More data for this
Ligand-Target Pair
Transcription Factor STAT3


(Mus musculus (mouse))
BDBM50335417
PNG
(2-(6-((furan-2-ylmethyl)(methyl)amino)-2-(pentylam...)
Show SMILES CCCCCNc1nc(N(C)Cc2ccco2)c2ncn(CC(O)=O)c2n1
Show InChI InChI=1S/C18H24N6O3/c1-3-4-5-8-19-18-21-16(23(2)10-13-7-6-9-27-13)15-17(22-18)24(12-20-15)11-14(25)26/h6-7,9,12H,3-5,8,10-11H2,1-2H3,(H,25,26)(H,19,21,22)
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n/an/an/a 3.64E+4n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity to mouse Stat3 by surface plasmon resonance assay


Citation and Details
More data for this
Ligand-Target Pair
Transcription Factor STAT3


(Mus musculus (mouse))
BDBM50335415
PNG
(2-(6-(benzyl(methyl)amino)-2-(pentylamino)-9H-puri...)
Show SMILES CCCCCNc1nc(N(C)Cc2ccccc2)c2ncn(CC(O)=O)c2n1
Show InChI InChI=1S/C20H26N6O2/c1-3-4-8-11-21-20-23-18(25(2)12-15-9-6-5-7-10-15)17-19(24-20)26(14-22-17)13-16(27)28/h5-7,9-10,14H,3-4,8,11-13H2,1-2H3,(H,27,28)(H,21,23,24)
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n/an/an/a 3.84E+4n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity to mouse Stat3 by surface plasmon resonance assay


Citation and Details
More data for this
Ligand-Target Pair
Transcription Factor STAT3


(Mus musculus (mouse))
BDBM50335435
PNG
(2-(6-(cyclohexylamino)-2-((4-cyclohexylbenzyl)amin...)
Show SMILES OC(=O)Cn1cnc2c(NC3CCCCC3)nc(NCc3ccc(cc3)C3CCCCC3)nc12
Show InChI InChI=1S/C26H34N6O2/c33-22(34)16-32-17-28-23-24(29-21-9-5-2-6-10-21)30-26(31-25(23)32)27-15-18-11-13-20(14-12-18)19-7-3-1-4-8-19/h11-14,17,19,21H,1-10,15-16H2,(H,33,34)(H2,27,29,30,31)
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n/an/an/a 3.90E+4n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity to mouse Stat3 by surface plasmon resonance assay


Citation and Details
More data for this
Ligand-Target Pair
Transcription Factor STAT3


(Mus musculus (mouse))
BDBM50335422
PNG
(2-(6-(allylamino)-2-(pentylamino)-9H-purin-9-yl)ac...)
Show SMILES CCCCCNc1nc(NCC=C)c2ncn(CC(O)=O)c2n1
Show InChI InChI=1S/C15H22N6O2/c1-3-5-6-8-17-15-19-13(16-7-4-2)12-14(20-15)21(10-18-12)9-11(22)23/h4,10H,2-3,5-9H2,1H3,(H,22,23)(H2,16,17,19,20)
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n/an/an/a>5.00E+4n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity to mouse Stat3 by surface plasmon resonance assay


Citation and Details
More data for this
Ligand-Target Pair
Transcription Factor STAT3


(Mus musculus (mouse))
BDBM50335421
PNG
(2-(6-(isopropylamino)-2-(pentylamino)-9H-purin-9-y...)
Show SMILES CCCCCNc1nc(NC(C)C)c2ncn(CC(O)=O)c2n1
Show InChI InChI=1S/C15H24N6O2/c1-4-5-6-7-16-15-19-13(18-10(2)3)12-14(20-15)21(9-17-12)8-11(22)23/h9-10H,4-8H2,1-3H3,(H,22,23)(H2,16,18,19,20)
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n/an/an/a>5.00E+4n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity to mouse Stat3 by surface plasmon resonance assay


Citation and Details
More data for this
Ligand-Target Pair
Transcription Factor STAT3


(Mus musculus (mouse))
BDBM50335424
PNG
(2-(6-(butyl(methyl)amino)-2-(pentylamino)-9H-purin...)
Show SMILES CCCCCNc1nc(N(C)CCCC)c2ncn(CC(O)=O)c2n1
Show InChI InChI=1S/C17H28N6O2/c1-4-6-8-9-18-17-20-15(22(3)10-7-5-2)14-16(21-17)23(12-19-14)11-13(24)25/h12H,4-11H2,1-3H3,(H,24,25)(H,18,20,21)
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n/an/an/a>5.00E+4n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity to mouse Stat3 by surface plasmon resonance assay


Citation and Details
More data for this
Ligand-Target Pair
Transcription Factor STAT3


(Mus musculus (mouse))
BDBM50335425
PNG
(2-(6-(isopentylamino)-2-(pentylamino)-9H-purin-9-y...)
Show SMILES CCCCCNc1nc(N(C)CCC(C)C)c2ncn(CC(O)=O)c2n1
Show InChI InChI=1S/C18H30N6O2/c1-5-6-7-9-19-18-21-16(23(4)10-8-13(2)3)15-17(22-18)24(12-20-15)11-14(25)26/h12-13H,5-11H2,1-4H3,(H,25,26)(H,19,21,22)
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n/an/an/a>5.00E+4n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity to mouse Stat3 by surface plasmon resonance assay


Citation and Details
More data for this
Ligand-Target Pair
Transcription Factor STAT3


(Mus musculus (mouse))
BDBM50335411
PNG
(2-(2-((tert-butoxycarbonyl)(pentyl)amino)-6-(4-nit...)
Show SMILES CCCCCN(C(=O)OC(C)(C)C)c1nc(Oc2ccc(cc2)[N+]([O-])=O)c2ncn(CC(O)=O)c2n1
Show InChI InChI=1S/C23H28N6O7/c1-5-6-7-12-28(22(32)36-23(2,3)4)21-25-19-18(24-14-27(19)13-17(30)31)20(26-21)35-16-10-8-15(9-11-16)29(33)34/h8-11,14H,5-7,12-13H2,1-4H3,(H,30,31)
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n/an/an/a>5.00E+4n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity to mouse Stat3 by surface plasmon resonance assay


Citation and Details
More data for this
Ligand-Target Pair
Transcription Factor STAT3


(Mus musculus (mouse))
BDBM50335427
PNG
(2-(6-(3-nitrophenoxy)-2-(pentylamino)-9H-purin-9-y...)
Show SMILES CCCCCNc1nc(Oc2cccc(c2)[N+]([O-])=O)c2ncn(CC(O)=O)c2n1
Show InChI InChI=1S/C18H20N6O5/c1-2-3-4-8-19-18-21-16-15(20-11-23(16)10-14(25)26)17(22-18)29-13-7-5-6-12(9-13)24(27)28/h5-7,9,11H,2-4,8,10H2,1H3,(H,25,26)(H,19,21,22)
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n/an/an/a>5.00E+4n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity to mouse Stat3 by surface plasmon resonance assay


Citation and Details
More data for this
Ligand-Target Pair
Transcription Factor STAT3


(Mus musculus (mouse))
BDBM50335428
PNG
(2-(6-(4-nitrophenoxy)-2-(pentylamino)-9H-purin-9-y...)
Show SMILES CCCCCNc1nc(Oc2ccc(cc2)[N+]([O-])=O)c2ncn(CC(O)=O)c2n1
Show InChI InChI=1S/C18H20N6O5/c1-2-3-4-9-19-18-21-16-15(20-11-23(16)10-14(25)26)17(22-18)29-13-7-5-12(6-8-13)24(27)28/h5-8,11H,2-4,9-10H2,1H3,(H,25,26)(H,19,21,22)
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n/an/an/a>5.00E+4n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity to mouse Stat3 by surface plasmon resonance assay


Citation and Details
More data for this
Ligand-Target Pair
Transcription Factor STAT3


(Mus musculus (mouse))
BDBM50335410
PNG
(2-(2-((tert-butoxycarbonyl)(pentyl)amino)-6-(3-nit...)
Show SMILES CCCCCN(C(=O)OC(C)(C)C)c1nc(Oc2cccc(c2)[N+]([O-])=O)c2ncn(CC(O)=O)c2n1
Show InChI InChI=1S/C23H28N6O7/c1-5-6-7-11-28(22(32)36-23(2,3)4)21-25-19-18(24-14-27(19)13-17(30)31)20(26-21)35-16-10-8-9-15(12-16)29(33)34/h8-10,12,14H,5-7,11,13H2,1-4H3,(H,30,31)
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n/an/an/a>5.00E+4n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity to mouse Stat3 by surface plasmon resonance assay


Citation and Details
More data for this
Ligand-Target Pair
Transcription Factor STAT3


(Mus musculus (mouse))
BDBM50335409
PNG
(2-(2-((tert-butoxycarbonyl)(pentyl)amino)-6-morpho...)
Show SMILES CCCCCN(C(=O)OC(C)(C)C)c1nc(N2CCOCC2)c2ncn(CC(O)=O)c2n1
Show InChI InChI=1S/C21H32N6O5/c1-5-6-7-8-27(20(30)32-21(2,3)4)19-23-17(25-9-11-31-12-10-25)16-18(24-19)26(14-22-16)13-15(28)29/h14H,5-13H2,1-4H3,(H,28,29)
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n/an/an/a>5.00E+4n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity to mouse Stat3 by surface plasmon resonance assay


Citation and Details
More data for this
Ligand-Target Pair
Transcription Factor STAT3


(Mus musculus (mouse))
BDBM50335403
PNG
(2-(2-(4-cyclohexylbenzamido)-6-morpholino-9H-purin...)
Show SMILES OC(=O)Cn1cnc2c(nc(NC(=O)c3ccc(cc3)C3CCCCC3)nc12)N1CCOCC1
Show InChI InChI=1S/C24H28N6O4/c31-19(32)14-30-15-25-20-21(29-10-12-34-13-11-29)26-24(27-22(20)30)28-23(33)18-8-6-17(7-9-18)16-4-2-1-3-5-16/h6-9,15-16H,1-5,10-14H2,(H,31,32)(H,26,27,28,33)
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n/an/an/a>5.00E+4n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity to mouse Stat3 by surface plasmon resonance assay


Citation and Details
More data for this
Ligand-Target Pair
Transcription Factor STAT3


(Mus musculus (mouse))
BDBM50335443
PNG
(2-(2-((4-cyclohexylbenzyl)amino)-6-(4-nitrophenoxy...)
Show SMILES OC(=O)Cn1cnc2c(Oc3ccc(cc3)[N+]([O-])=O)nc(NCc3ccc(cc3)C3CCCCC3)nc12
Show InChI InChI=1S/C26H26N6O5/c33-22(34)15-31-16-28-23-24(31)29-26(30-25(23)37-21-12-10-20(11-13-21)32(35)36)27-14-17-6-8-19(9-7-17)18-4-2-1-3-5-18/h6-13,16,18H,1-5,14-15H2,(H,33,34)(H,27,29,30)
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n/an/an/a>5.00E+4n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity to mouse Stat3 by surface plasmon resonance assay


Citation and Details
More data for this
Ligand-Target Pair
Transcription Factor STAT3


(Mus musculus (mouse))
BDBM50335440
PNG
(2-(2-((4-cyclohexylbenzyl)amino)-6-(hexylamino)-9H...)
Show SMILES CCCCCCNc1nc(NCc2ccc(cc2)C2CCCCC2)nc2n(CC(O)=O)cnc12
Show InChI InChI=1S/C26H36N6O2/c1-2-3-4-8-15-27-24-23-25(32(18-29-23)17-22(33)34)31-26(30-24)28-16-19-11-13-21(14-12-19)20-9-6-5-7-10-20/h11-14,18,20H,2-10,15-17H2,1H3,(H,33,34)(H2,27,28,30,31)
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n/an/an/a>5.00E+4n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity to mouse Stat3 by surface plasmon resonance assay


Citation and Details
More data for this
Ligand-Target Pair
Transcription Factor STAT3


(Mus musculus (mouse))
BDBM50335437
PNG
(2-(6-(allylamino)-2-((4-cyclohexylbenzyl)amino)-9H...)
Show SMILES OC(=O)Cn1cnc2c(NCC=C)nc(NCc3ccc(cc3)C3CCCCC3)nc12
Show InChI InChI=1S/C23H28N6O2/c1-2-12-24-21-20-22(29(15-26-20)14-19(30)31)28-23(27-21)25-13-16-8-10-18(11-9-16)17-6-4-3-5-7-17/h2,8-11,15,17H,1,3-7,12-14H2,(H,30,31)(H2,24,25,27,28)
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n/an/an/a>5.00E+4n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity to mouse Stat3 by surface plasmon resonance assay


Citation and Details
More data for this
Ligand-Target Pair
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