Found 41 hits of kd for UniProtKB: P40763 Target/Host
(Institution) | Ligand | Target/Host
Links | Ligand
Links | Trg + Lig
Links | Ki
nM | ΔG°
kcal/mole | IC50
nM | Kd
nM | EC50/IC50
nM | koff
s-1 | kon
M-1s-1 | pH | Temp
°C |
|---|
Signal transducer and activator of transcription 3
(Homo sapiens (Human)) | BDBM50605550
(C-188-9 | Stat3 inhibitor c188-9 | Stat3 inhibitor...)Show SMILES COc1ccc(cc1)S(=O)(=O)Nc1cc(c(O)c2ccccc12)-c1c(O)ccc2ccccc12 |(21.15,-12.6,;21.15,-11.06,;22.49,-10.29,;23.82,-11.06,;25.16,-10.29,;25.16,-8.75,;23.82,-7.98,;22.49,-8.75,;26.49,-7.98,;25.72,-6.65,;27.26,-9.31,;27.82,-7.21,;29.16,-7.98,;30.49,-7.21,;31.82,-7.98,;31.82,-9.52,;33.16,-10.29,;30.49,-10.29,;30.49,-11.83,;29.15,-12.6,;27.82,-11.83,;27.82,-10.29,;29.16,-9.52,;33.16,-7.21,;34.49,-7.98,;34.49,-9.52,;35.83,-7.22,;35.83,-5.68,;34.49,-4.9,;34.49,-3.36,;33.16,-2.59,;31.83,-3.36,;31.83,-4.9,;33.16,-5.67,)| | PDB
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| | n/a | n/a | n/a | 4.70 | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Signal transducer and activator of transcription 3
(Homo sapiens (Human)) | BDBM50588525
(CHEMBL5177956)Show SMILES COc1ccc(cc1)-c1noc(n1)-c1cnc(Oc2ccc3cc(C(=O)N4CCN(Cc5ccc(OCC(F)(F)F)cc5)CC4)n(C)c3c2)cn1 | PDB
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TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c01554
BindingDB Entry DOI: 10.7270/Q2RB78J1 |
More data for this
Ligand-Target Pair | |
Signal transducer and activator of transcription 3
(Homo sapiens (Human)) | BDBM50557878
(CHEMBL4776801)Show SMILES [H][C@]12CC[C@H](N1C(=O)[C@H](CN(CC2)C(=O)CCCCCC#Cc1cccc2C(=O)N(Cc12)C1CCC(=O)NC1=O)NC(=O)c1cc2cc(ccc2[nH]1)C(=O)P(O)(O)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)NC(c1ccccc1)c1ccccc1 |r| | PDB
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TBA
| Assay Description
Binding affinity to human recombinant STAT3 assessed as dissociation constant incubated for 15 mins by biolayer interferometry |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.1c00155
BindingDB Entry DOI: 10.7270/Q20R9T2F |
More data for this
Ligand-Target Pair | |
Signal transducer and activator of transcription 3
(Homo sapiens (Human)) | BDBM50569086
(CHEMBL4868479)Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H]1CCCN1C(=O)CNC(=O)c1ccc(c(c1)C(O)=O)-c1c2ccc(O)cc2oc2cc(=O)ccc12)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,wU:62.69,75.85,wD:20.20,8.8,4.3,66.73,76.84,(37.77,-13.78,;37.87,-15.3,;39.26,-15.99,;36.6,-16.14,;35.21,-15.45,;33.9,-16.3,;33.98,-17.86,;35.37,-18.55,;32.72,-18.7,;32.81,-20.24,;34.18,-20.91,;34.26,-22.46,;35.63,-23.15,;36.9,-22.31,;38.3,-22.92,;36.81,-20.78,;35.45,-20.09,;31.35,-17.95,;31.23,-16.39,;32.51,-15.54,;29.86,-15.71,;29.86,-14.16,;28.2,-13.91,;27.46,-15.41,;28.66,-16.58,;28.55,-18.12,;27.21,-18.86,;29.87,-18.91,;29.84,-20.44,;28.5,-21.21,;27.16,-20.44,;28.5,-22.76,;29.83,-23.53,;29.83,-25.08,;28.49,-25.85,;27.15,-25.07,;27.15,-23.53,;25.65,-25.47,;24.56,-24.38,;25.24,-26.96,;28.48,-27.39,;29.82,-28.17,;31.14,-27.41,;32.47,-28.18,;32.46,-29.72,;33.8,-30.5,;31.13,-30.48,;29.8,-29.71,;28.47,-30.47,;27.14,-29.7,;25.81,-30.47,;24.48,-29.7,;23.14,-30.48,;24.48,-28.16,;25.81,-27.38,;27.15,-28.16,;35.12,-13.94,;36.41,-13.08,;33.76,-13.26,;32.22,-13.89,;31.12,-12.63,;31.98,-11.2,;33.41,-11.79,;34.57,-10.79,;36,-11.37,;34.39,-9.24,;35.63,-8.29,;37.05,-8.88,;38.26,-7.94,;39.68,-8.52,;39.91,-10.03,;40.89,-7.59,;35.42,-6.77,;34,-6.18,;36.66,-5.82,;36.46,-4.27,;35.04,-3.69,;34.83,-2.17,;33.82,-4.62,;37.67,-3.34,;37.47,-1.82,;39.09,-3.92,)| | PDB
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TBA
| Assay Description
Binding affinity to His-tagged STAT3-SH2 domain (127 to 722 residues) (unknown origin) by surface plasmon resonance analysis |
Citation and Details
Article DOI: 10.1016/j.ejmech.2021.113333
BindingDB Entry DOI: 10.7270/Q2MP571B |
More data for this
Ligand-Target Pair | |
Signal transducer and activator of transcription 3
(Homo sapiens (Human)) | BDBM50602483
(CHEMBL5175648)Show SMILES COc1cc(OC)cc(\C=C\c2ccc(OCCCCCCC(=O)NO)cc2)c1 | PDB
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TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00136
BindingDB Entry DOI: 10.7270/Q23F4TQW |
More data for this
Ligand-Target Pair | |
Signal transducer and activator of transcription 3
(Homo sapiens (Human)) | BDBM50514302
(CHEMBL4452527)Show SMILES [H][C@]12CC[C@H](N1C(=O)[C@H](CN(CC2)C(=O)CCCCCC#Cc1cccc2C(=O)N(Cc12)C1CCC(=O)NC1=O)NC(=O)c1cc2cc(ccc2[nH]1)C(F)(F)P(O)(O)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)NC(c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C59H62F2N9O12P/c60-59(61,83(80,81)82)39-21-23-43-38(31-39)32-45(63-43)54(75)65-46-34-68(51(73)20-11-3-1-2-6-13-35-18-12-19-41-42(35)33-69(57(41)78)47-26-28-50(72)66-55(47)76)30-29-40-22-25-48(70(40)58(46)79)56(77)64-44(24-27-49(62)71)53(74)67-52(36-14-7-4-8-15-36)37-16-9-5-10-17-37/h4-5,7-10,12,14-19,21,23,31-32,40,44,46-48,52,63H,1-3,11,20,22,24-30,33-34H2,(H2,62,71)(H,64,77)(H,65,75)(H,67,74)(H,66,72,76)(H2,80,81,82)/t40-,44+,46+,47?,48+/m1/s1 | PDB
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TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00397
BindingDB Entry DOI: 10.7270/Q22N568R |
More data for this
Ligand-Target Pair | |
Signal transducer and activator of transcription 3
(Homo sapiens (Human)) | BDBM50514302
(CHEMBL4452527)Show SMILES [H][C@]12CC[C@H](N1C(=O)[C@H](CN(CC2)C(=O)CCCCCC#Cc1cccc2C(=O)N(Cc12)C1CCC(=O)NC1=O)NC(=O)c1cc2cc(ccc2[nH]1)C(F)(F)P(O)(O)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)NC(c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C59H62F2N9O12P/c60-59(61,83(80,81)82)39-21-23-43-38(31-39)32-45(63-43)54(75)65-46-34-68(51(73)20-11-3-1-2-6-13-35-18-12-19-41-42(35)33-69(57(41)78)47-26-28-50(72)66-55(47)76)30-29-40-22-25-48(70(40)58(46)79)56(77)64-44(24-27-49(62)71)53(74)67-52(36-14-7-4-8-15-36)37-16-9-5-10-17-37/h4-5,7-10,12,14-19,21,23,31-32,40,44,46-48,52,63H,1-3,11,20,22,24-30,33-34H2,(H2,62,71)(H,64,77)(H,65,75)(H,67,74)(H,66,72,76)(H2,80,81,82)/t40-,44+,46+,47?,48+/m1/s1 | PDB
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TBA
Curated by ChEMBL
| Assay Description
Binding affinity to recombinant human His/SUMO-tagged STAT3 (127 to 688 residues) expressed in Escherichia coli Rosetta (DE3) incubated for 1 hr by f... |
J Med Chem 62: 11280-11300 (2019)
Article DOI: 10.1021/acs.jmedchem.9b01530
BindingDB Entry DOI: 10.7270/Q2FF3WQF |
More data for this
Ligand-Target Pair | |
Signal transducer and activator of transcription 3
(Homo sapiens (Human)) | BDBM50569071
(CHEMBL4846365)Show SMILES CCCC(C)Oc1ccc(C(=O)Nc2ccc3nc(SCC(=O)N[C@@H](C)c4ccc(OC)cc4)sc3c2)c(OC)c1C |r| | PDB
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| n/a | n/a | n/a | 53 | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Binding affinity to His-tagged STAT3-SH2 domain (127 to 722 residues) (unknown origin) by surface plasmon resonance analysis |
Citation and Details
Article DOI: 10.1016/j.ejmech.2021.113333
BindingDB Entry DOI: 10.7270/Q2MP571B |
More data for this
Ligand-Target Pair | |
Signal transducer and activator of transcription 3
(Homo sapiens (Human)) | BDBM50569070
(CHEMBL4864495)Show SMILES CCCC(C)Oc1ccc(C(=O)Nc2ccc3nc(SCC(=O)N[C@@H](C)c4ccccc4)sc3c2)c(OC)c1C |r| | PDB
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TBA
| Assay Description
Binding affinity to His-tagged STAT3-SH2 domain (127 to 722 residues) (unknown origin) by surface plasmon resonance analysis |
Citation and Details
Article DOI: 10.1016/j.ejmech.2021.113333
BindingDB Entry DOI: 10.7270/Q2MP571B |
More data for this
Ligand-Target Pair | |
Signal transducer and activator of transcription 3
(Homo sapiens (Human)) | BDBM50590873
(CHEMBL5176684)Show SMILES FC(F)(F)COc1ccc(CN2CCN(CC2)C(=O)c2ccc(cc2)-c2noc(n2)-c2ccc(cc2)C(F)(F)F)cc1 | PDB
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TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00413
BindingDB Entry DOI: 10.7270/Q2RF6006 |
More data for this
Ligand-Target Pair | |
Signal transducer and activator of transcription 3
(Homo sapiens (Human)) | BDBM50521054
(CHEMBL4474417)Show SMILES O=C(NCCN1CCCCC1)c1cc2c(o1)C(=O)c1ccccc1C2=O Show InChI InChI=1S/C20H20N2O4/c23-17-13-6-2-3-7-14(13)18(24)19-15(17)12-16(26-19)20(25)21-8-11-22-9-4-1-5-10-22/h2-3,6-7,12H,1,4-5,8-11H2,(H,21,25) | PDB
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| n/a | n/a | n/a | 110 | n/a | n/a | n/a | n/a | n/a |
Sichuan University
Curated by ChEMBL
| Assay Description
Binding affinity to recombinant N-terminal His-tagged STAT3 (unknown origin) expressed in baculovirus infected Sf9 insect cells by SPR analysis |
Eur J Med Chem 162: 543-554 (2019)
Article DOI: 10.1016/j.ejmech.2018.10.067
BindingDB Entry DOI: 10.7270/Q27P92S7 |
More data for this
Ligand-Target Pair | |
Signal transducer and activator of transcription 3
(Homo sapiens (Human)) | BDBM50590873
(CHEMBL5176684)Show SMILES FC(F)(F)COc1ccc(CN2CCN(CC2)C(=O)c2ccc(cc2)-c2noc(n2)-c2ccc(cc2)C(F)(F)F)cc1 | PDB
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TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00413
BindingDB Entry DOI: 10.7270/Q2RF6006 |
More data for this
Ligand-Target Pair | |
Signal transducer and activator of transcription 3
(Homo sapiens (Human)) | BDBM50605550
(C-188-9 | Stat3 inhibitor c188-9 | Stat3 inhibitor...)Show SMILES COc1ccc(cc1)S(=O)(=O)Nc1cc(c(O)c2ccccc12)-c1c(O)ccc2ccccc12 |(21.15,-12.6,;21.15,-11.06,;22.49,-10.29,;23.82,-11.06,;25.16,-10.29,;25.16,-8.75,;23.82,-7.98,;22.49,-8.75,;26.49,-7.98,;25.72,-6.65,;27.26,-9.31,;27.82,-7.21,;29.16,-7.98,;30.49,-7.21,;31.82,-7.98,;31.82,-9.52,;33.16,-10.29,;30.49,-10.29,;30.49,-11.83,;29.15,-12.6,;27.82,-11.83,;27.82,-10.29,;29.16,-9.52,;33.16,-7.21,;34.49,-7.98,;34.49,-9.52,;35.83,-7.22,;35.83,-5.68,;34.49,-4.9,;34.49,-3.36,;33.16,-2.59,;31.83,-3.36,;31.83,-4.9,;33.16,-5.67,)| | PDB
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TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00004
BindingDB Entry DOI: 10.7270/Q2R78K9Z |
More data for this
Ligand-Target Pair | |
Signal transducer and activator of transcription 3
(Homo sapiens (Human)) | BDBM50033887
(CHEMBL3358611)Show SMILES CC(C)(C)c1cc(CN(C(=O)CN(Cc2ccc(Cl)cc2)S(=O)(=O)c2c(F)c(F)c(F)c(F)c2F)c2ccc(C(O)=O)c(O)c2)cc(c1)C(C)(C)C Show InChI InChI=1S/C37H36ClF5N2O6S/c1-36(2,3)22-13-21(14-23(15-22)37(4,5)6)18-45(25-11-12-26(35(48)49)27(46)16-25)28(47)19-44(17-20-7-9-24(38)10-8-20)52(50,51)34-32(42)30(40)29(39)31(41)33(34)43/h7-16,46H,17-19H2,1-6H3,(H,48,49) | PDB
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University of Toronto Mississauga
Curated by ChEMBL
| Assay Description
Binding affinity to full-length His-tagged STAT3 (unknown origin) by surface plasmon resonance assay |
ACS Med Chem Lett 5: 1202-1206 (2014)
Article DOI: 10.1021/ml500165r
BindingDB Entry DOI: 10.7270/Q25X2BJJ |
More data for this
Ligand-Target Pair | |
Signal transducer and activator of transcription 3
(Homo sapiens (Human)) | BDBM50446146
(CHEMBL3108909)Show SMILES CN(CC(=O)N(Cc1ccc(cc1)C1CCCCC1)c1ccc(cc1)C(O)=O)S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F Show InChI InChI=1S/C29H27F5N2O5S/c1-35(42(40,41)28-26(33)24(31)23(30)25(32)27(28)34)16-22(37)36(21-13-11-20(12-14-21)29(38)39)15-17-7-9-19(10-8-17)18-5-3-2-4-6-18/h7-14,18H,2-6,15-16H2,1H3,(H,38,39) | PDB
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University of Toronto at Mississauga
Curated by ChEMBL
| Assay Description
Binding affinity to His-tagged STAT3 (unknown origin) by SPR spectroscopic analysis |
ACS Med Chem Lett 4: 1102-7 (2013)
Article DOI: 10.1021/ml4003138
BindingDB Entry DOI: 10.7270/Q2D2202P |
More data for this
Ligand-Target Pair | |
Signal transducer and activator of transcription 3
(Homo sapiens (Human)) | BDBM50605546
(CHEMBL5174100)Show SMILES Cc1ccc(o1)C(=O)N1CCc2c(C1)sc(NC(=O)c1cnn(C)c1)c2C#N | PDB
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TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00004
BindingDB Entry DOI: 10.7270/Q2R78K9Z |
More data for this
Ligand-Target Pair | |
Signal transducer and activator of transcription 3
(Homo sapiens (Human)) | BDBM50605547
(CHEMBL5178793)Show SMILES Cn1cc(cn1)C(=O)Nc1sc2CN(CCc2c1C#N)C(=O)c1ccc(Br)s1 | PDB
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TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00004
BindingDB Entry DOI: 10.7270/Q2R78K9Z |
More data for this
Ligand-Target Pair | |
Signal transducer and activator of transcription 3
(Homo sapiens (Human)) | BDBM50572604
(CHEMBL4861762)Show SMILES O=C(Cc1c(nc2ccccn12)-c1ccccc1)Nc1ccc2C=CS(=O)(=O)c2c1 |c:26| | PDB
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TBA
| Assay Description
Binding affinity to STAT3 (unknown origin) by SRB assay |
Citation and Details
Article DOI: 10.1016/j.ejmech.2021.113525
BindingDB Entry DOI: 10.7270/Q2PG1WJZ |
More data for this
Ligand-Target Pair | |
Signal transducer and activator of transcription 3
(Homo sapiens (Human)) | BDBM50605545
(CHEMBL5182175)Show SMILES COc1ccc(NC(=O)N2CCc3c(C2)sc(NC(=O)c2cnn(C)c2)c3C#N)cc1 | PDB
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TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00004
BindingDB Entry DOI: 10.7270/Q2R78K9Z |
More data for this
Ligand-Target Pair | |
Signal transducer and activator of transcription 3
(Homo sapiens (Human)) | BDBM50353432
(CHEMBL1829876 | US10196373, Compound 45O)Show SMILES CN(CC(=O)N(Cc1ccc(cc1)C1CCCCC1)c1ccc(C(O)=O)c(O)c1)S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F Show InChI InChI=1S/C29H27F5N2O6S/c1-35(43(41,42)28-26(33)24(31)23(30)25(32)27(28)34)15-22(38)36(19-11-12-20(29(39)40)21(37)13-19)14-16-7-9-18(10-8-16)17-5-3-2-4-6-17/h7-13,17,37H,2-6,14-15H2,1H3,(H,39,40) | PDB
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TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00004
BindingDB Entry DOI: 10.7270/Q2R78K9Z |
More data for this
Ligand-Target Pair | |
Signal transducer and activator of transcription 3
(Homo sapiens (Human)) | BDBM50353432
(CHEMBL1829876 | US10196373, Compound 45O)Show SMILES CN(CC(=O)N(Cc1ccc(cc1)C1CCCCC1)c1ccc(C(O)=O)c(O)c1)S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F Show InChI InChI=1S/C29H27F5N2O6S/c1-35(43(41,42)28-26(33)24(31)23(30)25(32)27(28)34)15-22(38)36(19-11-12-20(29(39)40)21(37)13-19)14-16-7-9-18(10-8-16)17-5-3-2-4-6-17/h7-13,17,37H,2-6,14-15H2,1H3,(H,39,40) | PDB
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TBA
| Assay Description
Inhibition of human H-PGDS expressed in Escherichia coli BL21 DE2 by enzyme immuno assay at 50 uM |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Signal transducer and activator of transcription 3
(Homo sapiens (Human)) | BDBM50353432
(CHEMBL1829876 | US10196373, Compound 45O)Show SMILES CN(CC(=O)N(Cc1ccc(cc1)C1CCCCC1)c1ccc(C(O)=O)c(O)c1)S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F Show InChI InChI=1S/C29H27F5N2O6S/c1-35(43(41,42)28-26(33)24(31)23(30)25(32)27(28)34)15-22(38)36(19-11-12-20(29(39)40)21(37)13-19)14-16-7-9-18(10-8-16)17-5-3-2-4-6-17/h7-13,17,37H,2-6,14-15H2,1H3,(H,39,40) | PDB
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TBA
| |
Citation and Details
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More data for this
Ligand-Target Pair | |
Signal transducer and activator of transcription 3
(Homo sapiens (Human)) | BDBM50520522
(CHEMBL4568628)Show SMILES COc1cc(NC(=O)[C@@H](Cc2ccccc2)NC2=C\C(=N\O)c3ccccc3C2=O)cc(OC)c1 |r,t:18| Show InChI InChI=1S/C27H25N3O5/c1-34-19-13-18(14-20(15-19)35-2)28-27(32)25(12-17-8-4-3-5-9-17)29-24-16-23(30-33)21-10-6-7-11-22(21)26(24)31/h3-11,13-16,25,29,33H,12H2,1-2H3,(H,28,32)/b30-23-/t25-/m1/s1 | PDB
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Guangxi Normal University
Curated by ChEMBL
| Assay Description
Binding affinity to STAT3 in human SKOV3 cells assessed as equilibrium dissociation constant after 200 sec by SPR assay |
J Med Chem 63: 1544-1563 (2020)
Article DOI: 10.1021/acs.jmedchem.9b01386
BindingDB Entry DOI: 10.7270/Q2J969RJ |
More data for this
Ligand-Target Pair | |
Signal transducer and activator of transcription 3
(Homo sapiens (Human)) | BDBM50605549
(CHEMBL5175326)Show SMILES COc1ncccc1NC(=O)N1CCc2c(C1)sc(NC(=O)c1cnn(C)c1)c2C#N | PDB
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TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00004
BindingDB Entry DOI: 10.7270/Q2R78K9Z |
More data for this
Ligand-Target Pair | |
Signal transducer and activator of transcription 3
(Homo sapiens (Human)) | BDBM50605548
(CHEMBL5204232)Show SMILES Cn1cc(cn1)C(=O)Nc1sc2CN(CCc2c1C#N)C(=O)Nc1ccccn1 | PDB
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TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00004
BindingDB Entry DOI: 10.7270/Q2R78K9Z |
More data for this
Ligand-Target Pair | |
Signal transducer and activator of transcription 3
(Homo sapiens (Human)) | BDBM50556908
(CHEMBL4777016 | US11299480, Example 134)Show SMILES Fc1c(F)c(F)c(c(F)c1F)S(=O)(=O)N1CC[C@@H]1C(=O)N(Cc1ccc(cn1)C1CCCCC1)c1ccc2C(=O)OCc2c1 |r| | PDB
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TBA
| Assay Description
Binding affinity to STAT3 (unknown origin) assessed as dissociation constant by isothermal titration calorimetry |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01705
BindingDB Entry DOI: 10.7270/Q2Z89H31 |
More data for this
Ligand-Target Pair | |
Signal transducer and activator of transcription 3
(Homo sapiens (Human)) | BDBM50605545
(CHEMBL5182175)Show SMILES COc1ccc(NC(=O)N2CCc3c(C2)sc(NC(=O)c2cnn(C)c2)c3C#N)cc1 | PDB
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TBA
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Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00004
BindingDB Entry DOI: 10.7270/Q2R78K9Z |
More data for this
Ligand-Target Pair | |
Signal transducer and activator of transcription 3
(Homo sapiens (Human)) | BDBM549132
(BDBM50556940 | US11299480, Example 138)Show SMILES Fc1c(F)c(F)c(c(F)c1F)S(=O)(=O)N1CC[C@@H]1C(=O)N(Cc1ccc(cn1)C1CCCCC1)c1ccc2C(=O)NC(=O)c2c1 |r| | PDB
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TBA
| Assay Description
Binding affinity to STAT3 (unknown origin) assessed as dissociation constant by isothermal titration calorimetry |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01705
BindingDB Entry DOI: 10.7270/Q2Z89H31 |
More data for this
Ligand-Target Pair | |
Signal transducer and activator of transcription 3
(Homo sapiens (Human)) | BDBM50396169
(CHEMBL1337170)Show InChI InChI=1S/C8H5NO4S/c10-9(11)7-2-1-6-3-4-14(12,13)8(6)5-7/h1-5H | PDB
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| n/a | n/a | n/a | 1.53E+3 | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Binding affinity to His-tagged STAT3-SH2 domain (127 to 722 residues) (unknown origin) by surface plasmon resonance analysis |
Citation and Details
Article DOI: 10.1016/j.ejmech.2021.113333
BindingDB Entry DOI: 10.7270/Q2MP571B |
More data for this
Ligand-Target Pair | |
Signal transducer and activator of transcription 3
(Homo sapiens (Human)) | BDBM50446146
(CHEMBL3108909)Show SMILES CN(CC(=O)N(Cc1ccc(cc1)C1CCCCC1)c1ccc(cc1)C(O)=O)S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F Show InChI InChI=1S/C29H27F5N2O5S/c1-35(42(40,41)28-26(33)24(31)23(30)25(32)27(28)34)16-22(37)36(21-13-11-20(12-14-21)29(38)39)15-17-7-9-19(10-8-17)18-5-3-2-4-6-18/h7-14,18H,2-6,15-16H2,1H3,(H,38,39) | PDB
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| n/a | n/a | n/a | 1.57E+3 | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00940
BindingDB Entry DOI: 10.7270/Q2H9999J |
More data for this
Ligand-Target Pair | |
Signal transducer and activator of transcription 3
(Homo sapiens (Human)) | BDBM50528215
(CHEMBL4562495)Show InChI InChI=1S/C13H12N2O3S/c1-8(10-5-4-9(16)7-11(10)17)14-15-13(18)12-3-2-6-19-12/h2-7,16-17H,1H3,(H,15,18)/b14-8+ | PDB
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| n/a | n/a | n/a | 3.22E+3 | n/a | n/a | n/a | n/a | n/a |
Shanghai Jiao-Tong University School of Medicine
Curated by ChEMBL
| Assay Description
Binding affinity to STAT3 CCD (unknown origin) |
J Med Chem 62: 6405-6421 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01749
BindingDB Entry DOI: 10.7270/Q2C53Q9M |
More data for this
Ligand-Target Pair | |
Signal transducer and activator of transcription 3
(Homo sapiens (Human)) | BDBM50408830
(CHEMBL5284089)Show SMILES CC(C)n1cc2C[C@@H]3[C@H](C=C(COC(=O)C4CCC4)CN3C)c3cccc1c23 |t:9| Show InChI InChI=1S/C24H30N2O2/c1-15(2)26-13-18-11-22-20(19-8-5-9-21(26)23(18)19)10-16(12-25(22)3)14-28-24(27)17-6-4-7-17/h5,8-10,13,15,17,20,22H,4,6-7,11-12,14H2,1-3H3/t20-,22-/m1/s1 | PDB
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| | n/a | n/a | n/a | 3.30E+3 | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human H-PGDS expressed in Escherichia coli BL21 DE2 by enzyme immuno assay at 50 uM |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Signal transducer and activator of transcription 3
(Homo sapiens (Human)) | BDBM50408830
(CHEMBL5284089)Show SMILES CC(C)n1cc2C[C@@H]3[C@H](C=C(COC(=O)C4CCC4)CN3C)c3cccc1c23 |t:9| Show InChI InChI=1S/C24H30N2O2/c1-15(2)26-13-18-11-22-20(19-8-5-9-21(26)23(18)19)10-16(12-25(22)3)14-28-24(27)17-6-4-7-17/h5,8-10,13,15,17,20,22H,4,6-7,11-12,14H2,1-3H3/t20-,22-/m1/s1 | PDB
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| | n/a | n/a | n/a | 4.10E+3 | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human H-PGDS expressed in Escherichia coli BL21 DE2 by enzyme immuno assay at 50 uM |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Signal transducer and activator of transcription 3
(Homo sapiens (Human)) | BDBM50353432
(CHEMBL1829876 | US10196373, Compound 45O)Show SMILES CN(CC(=O)N(Cc1ccc(cc1)C1CCCCC1)c1ccc(C(O)=O)c(O)c1)S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F Show InChI InChI=1S/C29H27F5N2O6S/c1-35(43(41,42)28-26(33)24(31)23(30)25(32)27(28)34)15-22(38)36(19-11-12-20(29(39)40)21(37)13-19)14-16-7-9-18(10-8-16)17-5-3-2-4-6-17/h7-13,17,37H,2-6,14-15H2,1H3,(H,39,40) | PDB
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| n/a | n/a | n/a | 4.57E+3 | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00004
BindingDB Entry DOI: 10.7270/Q2R78K9Z |
More data for this
Ligand-Target Pair | |
Signal transducer and activator of transcription 3
(Homo sapiens (Human)) | BDBM50558620
(CHEMBL4789066)Show SMILES Oc1ccc(NS(=O)(=O)c2ccc3C(=O)c4ccccc4C(=O)c3c2)cc1 | PDB
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| n/a | n/a | n/a | 4.59E+3 | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Binding affinity to STAT3 (unknown origin) expressed in Escherichia coli by CM5 sensor chip immobilization based SPR assay |
Citation and Details
Article DOI: 10.1016/j.bmcl.2016.09.073
BindingDB Entry DOI: 10.7270/Q280569H |
More data for this
Ligand-Target Pair | |
Signal transducer and activator of transcription 3
(Homo sapiens (Human)) | BDBM50607004
(CHEMBL5220221)Show SMILES CN(CC(=O)N(Cc1ccc(cc1)C1CCCCC1)c1ccc(cc1)B(O)O)S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F | PDB
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| n/a | n/a | n/a | 5.02E+3 | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00940
BindingDB Entry DOI: 10.7270/Q2H9999J |
More data for this
Ligand-Target Pair | |
Signal transducer and activator of transcription 3
(Homo sapiens (Human)) | BDBM50408831
(CHEMBL5271534)Show SMILES CC(C)n1cc2C[C@@H]3[C@H](C[C@@H](COC(=O)C4CCC4)CN3C)c3cccc1c23 Show InChI InChI=1S/C24H32N2O2/c1-15(2)26-13-18-11-22-20(19-8-5-9-21(26)23(18)19)10-16(12-25(22)3)14-28-24(27)17-6-4-7-17/h5,8-9,13,15-17,20,22H,4,6-7,10-12,14H2,1-3H3/t16-,20-,22-/m1/s1 | PDB
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| | n/a | n/a | n/a | 6.60E+3 | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human H-PGDS expressed in Escherichia coli BL21 DE2 by enzyme immuno assay at 50 uM |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Signal transducer and activator of transcription 3
(Homo sapiens (Human)) | BDBM50200777
(CHEMBL3985200)Show SMILES CCN(CC)CCNC(=O)C1C\C(=C/c2ccc(F)cc2)C(=O)\C(C1)=C\c1ccc(F)cc1 Show InChI InChI=1S/C27H30F2N2O2/c1-3-31(4-2)14-13-30-27(33)23-17-21(15-19-5-9-24(28)10-6-19)26(32)22(18-23)16-20-7-11-25(29)12-8-20/h5-12,15-16,23H,3-4,13-14,17-18H2,1-2H3,(H,30,33)/b21-15+,22-16+ | PDB
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| n/a | n/a | n/a | 7.93E+3 | n/a | n/a | n/a | n/a | n/a |
Soochow University
Curated by ChEMBL
| Assay Description
Binding affinity to STAT3 (unknown origin) expressed in Escherichia coli expression system by SPR assay |
Bioorg Med Chem 24: 6174-6182 (2016)
Article DOI: 10.1016/j.bmc.2016.09.070
BindingDB Entry DOI: 10.7270/Q2WH2S04 |
More data for this
Ligand-Target Pair | |
Signal transducer and activator of transcription 3
(Homo sapiens (Human)) | BDBM50408827
(CHEMBL5282950)Show SMILES CC(C)n1cc2C[C@@H]3[C@H](C=C(COC(=O)C4CCCC4)CN3C)c3cccc1c23 |t:9| Show InChI InChI=1S/C25H32N2O2/c1-16(2)27-14-19-12-23-21(20-9-6-10-22(27)24(19)20)11-17(13-26(23)3)15-29-25(28)18-7-4-5-8-18/h6,9-11,14,16,18,21,23H,4-5,7-8,12-13,15H2,1-3H3/t21-,23-/m1/s1 | PDB
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| | n/a | n/a | n/a | 1.55E+4 | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human H-PGDS expressed in Escherichia coli BL21 DE2 by enzyme immuno assay at 50 uM |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Signal transducer and activator of transcription 3
(Homo sapiens (Human)) | BDBM50408826
(CHEMBL5268863)Show SMILES CN1CC(COC(=O)C2CCCC2)=C[C@H]2[C@H]1Cc1c[nH]c3cccc2c13 |c:13| Show InChI InChI=1S/C22H26N2O2/c1-24-12-14(13-26-22(25)15-5-2-3-6-15)9-18-17-7-4-8-19-21(17)16(11-23-19)10-20(18)24/h4,7-9,11,15,18,20,23H,2-3,5-6,10,12-13H2,1H3/t18-,20-/m1/s1 | PDB
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| | n/a | n/a | n/a | 4.50E+4 | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human H-PGDS expressed in Escherichia coli BL21 DE2 by enzyme immuno assay at 50 uM |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Signal transducer and activator of transcription 3
(Homo sapiens (Human)) | BDBM50593518
(CHEBI:80908 | TELOCINOBUFAGIN | telocinobufagin)Show SMILES [H][C@]1(O)CC[C@]2(C)[C@@]3([H])CC[C@]4(C)[C@H](CC[C@]4(O)[C@]3([H])CC[C@]2(O)C1)c1ccc(=O)oc1 | PDB
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TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jnatprod.1c00761
BindingDB Entry DOI: 10.7270/Q2SJ1QNV |
More data for this
Ligand-Target Pair | |
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