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Compile Data Set for Download or QSAR

Found 37 hits with Last Name = 'elumalai' and Initial = 'n'   
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 5B


(Homo sapiens (Human))
BDBM165192
PNG
(4-((8-Methylnonanamido)methyl)-1,2-phenylene bis(d...)
Show SMILES CC(C)CCCCCCC(=O)NCc1ccc(OP(O)(O)=O)c(OP(O)(O)=O)c1
Show InChI InChI=1S/C17H29NO9P2/c1-13(2)7-5-3-4-6-8-17(19)18-12-14-9-10-15(26-28(20,21)22)16(11-14)27-29(23,24)25/h9-11,13H,3-8,12H2,1-2H3,(H,18,19)(H2,20,21,22)(H2,23,24,25)
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340n/a 750n/an/an/an/an/an/a



University of Leipzig



Assay Description
For competition-based fluorescence polarization assays, the ability of the test compounds to displace fluorophore-labeled peptides from their respect...


ACS Chem Biol 10: 2884-90 (2015)


Article DOI: 10.1021/acschembio.5b00817
BindingDB Entry DOI: 10.7270/Q2P55M8G
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 5B


(Homo sapiens (Human))
BDBM165193
PNG
(4-(Nonanamidomethyl)-1,2-phenylene bis(dihydrogen ...)
Show SMILES CCCCCCCCC(=O)NCc1ccc(OP(O)(O)=O)c(OP(O)(O)=O)c1
Show InChI InChI=1S/C16H27NO9P2/c1-2-3-4-5-6-7-8-16(18)17-12-13-9-10-14(25-27(19,20)21)15(11-13)26-28(22,23)24/h9-11H,2-8,12H2,1H3,(H,17,18)(H2,19,20,21)(H2,22,23,24)
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390n/a 860n/an/an/an/an/an/a



University of Leipzig



Assay Description
For competition-based fluorescence polarization assays, the ability of the test compounds to displace fluorophore-labeled peptides from their respect...


ACS Chem Biol 10: 2884-90 (2015)


Article DOI: 10.1021/acschembio.5b00817
BindingDB Entry DOI: 10.7270/Q2P55M8G
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 5A


(Homo sapiens (Human))
BDBM165193
PNG
(4-(Nonanamidomethyl)-1,2-phenylene bis(dihydrogen ...)
Show SMILES CCCCCCCCC(=O)NCc1ccc(OP(O)(O)=O)c(OP(O)(O)=O)c1
Show InChI InChI=1S/C16H27NO9P2/c1-2-3-4-5-6-7-8-16(18)17-12-13-9-10-14(25-27(19,20)21)15(11-13)26-28(22,23)24/h9-11H,2-8,12H2,1H3,(H,17,18)(H2,19,20,21)(H2,22,23,24)
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1.23E+4n/a 2.49E+4n/an/an/an/an/an/a



University of Leipzig



Assay Description
For competition-based fluorescence polarization assays, the ability of the test compounds to displace fluorophore-labeled peptides from their respect...


ACS Chem Biol 10: 2884-90 (2015)


Article DOI: 10.1021/acschembio.5b00817
BindingDB Entry DOI: 10.7270/Q2P55M8G
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 5A


(Homo sapiens (Human))
BDBM165192
PNG
(4-((8-Methylnonanamido)methyl)-1,2-phenylene bis(d...)
Show SMILES CC(C)CCCCCCC(=O)NCc1ccc(OP(O)(O)=O)c(OP(O)(O)=O)c1
Show InChI InChI=1S/C17H29NO9P2/c1-13(2)7-5-3-4-6-8-17(19)18-12-14-9-10-15(26-28(20,21)22)16(11-14)27-29(23,24)25/h9-11,13H,3-8,12H2,1-2H3,(H,18,19)(H2,20,21,22)(H2,23,24,25)
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1.30E+4n/a 2.64E+4n/an/an/an/an/an/a



University of Leipzig



Assay Description
For competition-based fluorescence polarization assays, the ability of the test compounds to displace fluorophore-labeled peptides from their respect...


ACS Chem Biol 10: 2884-90 (2015)


Article DOI: 10.1021/acschembio.5b00817
BindingDB Entry DOI: 10.7270/Q2P55M8G
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 5A


(Homo sapiens (Human))
BDBM165191
PNG
(2-Methoxy-4-(nonanamidomethyl)phenyl dihydrogen ph...)
Show SMILES CCCCCCCCC(=O)NCc1ccc(OP(O)(O)=O)c(OC)c1
Show InChI InChI=1S/C17H28NO6P/c1-3-4-5-6-7-8-9-17(19)18-13-14-10-11-15(16(12-14)23-2)24-25(20,21)22/h10-12H,3-9,13H2,1-2H3,(H,18,19)(H2,20,21,22)
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4.90E+4n/a 9.80E+4n/an/an/an/an/an/a



University of Leipzig



Assay Description
For competition-based fluorescence polarization assays, the ability of the test compounds to displace fluorophore-labeled peptides from their respect...


ACS Chem Biol 10: 2884-90 (2015)


Article DOI: 10.1021/acschembio.5b00817
BindingDB Entry DOI: 10.7270/Q2P55M8G
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 5A


(Homo sapiens (Human))
BDBM165190
PNG
(2-Methoxy-4-((8-methylnonanamido)methyl)phenyl dih...)
Show SMILES COc1cc(CNC(=O)CCCCCCC(C)C)ccc1OP(O)(O)=O
Show InChI InChI=1S/C18H30NO6P/c1-14(2)8-6-4-5-7-9-18(20)19-13-15-10-11-16(17(12-15)24-3)25-26(21,22)23/h10-12,14H,4-9,13H2,1-3H3,(H,19,20)(H2,21,22,23)
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7.50E+4n/a 1.52E+5n/an/an/an/an/an/a



University of Leipzig



Assay Description
For competition-based fluorescence polarization assays, the ability of the test compounds to displace fluorophore-labeled peptides from their respect...


ACS Chem Biol 10: 2884-90 (2015)


Article DOI: 10.1021/acschembio.5b00817
BindingDB Entry DOI: 10.7270/Q2P55M8G
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 5B


(Homo sapiens (Human))
BDBM165191
PNG
(2-Methoxy-4-(nonanamidomethyl)phenyl dihydrogen ph...)
Show SMILES CCCCCCCCC(=O)NCc1ccc(OP(O)(O)=O)c(OC)c1
Show InChI InChI=1S/C17H28NO6P/c1-3-4-5-6-7-8-9-17(19)18-13-14-10-11-15(16(12-14)23-2)24-25(20,21)22/h10-12H,3-9,13H2,1-2H3,(H,18,19)(H2,20,21,22)
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9.60E+4n/a 1.96E+5n/an/an/an/an/an/a



University of Leipzig



Assay Description
For competition-based fluorescence polarization assays, the ability of the test compounds to displace fluorophore-labeled peptides from their respect...


ACS Chem Biol 10: 2884-90 (2015)


Article DOI: 10.1021/acschembio.5b00817
BindingDB Entry DOI: 10.7270/Q2P55M8G
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 5B


(Homo sapiens (Human))
BDBM50267892
PNG
(CHEMBL4088092)
Show SMILES OP(O)(=O)Oc1ccc(CNC(=O)COc2ccc3cc(ccc3c2)C(=O)Nc2ccccc2)cc1OP(O)(O)=O
Show InChI InChI=1S/C26H24N2O11P2/c29-25(27-15-17-6-11-23(38-40(31,32)33)24(12-17)39-41(34,35)36)16-37-22-10-9-18-13-20(8-7-19(18)14-22)26(30)28-21-4-2-1-3-5-21/h1-14H,15-16H2,(H,27,29)(H,28,30)(H2,31,32,33)(H2,34,35,36)
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n/an/a 154n/an/an/an/an/an/a



Institute of Organic Chemistry, Leipzig University, Johannisallee 29, 04103 Leipzig, Germany.

Curated by ChEMBL


Assay Description
Displacement of 5-carboxyfluorescein-GY(PO3H2)LVLDKW from STAT5B SH2 domain (unknown origin) pretreated for 1 hr followed by fluorescent tracer addit...


Bioorg Med Chem 25: 3871-3882 (2017)


Article DOI: 10.1016/j.bmc.2017.05.039
BindingDB Entry DOI: 10.7270/Q26Q20RB
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 5B


(Homo sapiens (Human))
BDBM50267888
PNG
(CHEMBL4104462)
Show SMILES OP(O)(=O)Oc1ccc(CNC(=O)COc2ccc3cc(ccc3c2)C(=O)Nc2ccc(F)cc2)cc1OP(O)(O)=O
Show InChI InChI=1S/C26H23FN2O11P2/c27-20-5-7-21(8-6-20)29-26(31)19-3-2-18-13-22(9-4-17(18)12-19)38-15-25(30)28-14-16-1-10-23(39-41(32,33)34)24(11-16)40-42(35,36)37/h1-13H,14-15H2,(H,28,30)(H,29,31)(H2,32,33,34)(H2,35,36,37)
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n/an/a 220n/an/an/an/an/an/a



Institute of Organic Chemistry, Leipzig University, Johannisallee 29, 04103 Leipzig, Germany.

Curated by ChEMBL


Assay Description
Displacement of 5-carboxyfluorescein-GY(PO3H2)LVLDKW from STAT5B SH2 domain (unknown origin) pretreated for 1 hr followed by fluorescent tracer addit...


Bioorg Med Chem 25: 3871-3882 (2017)


Article DOI: 10.1016/j.bmc.2017.05.039
BindingDB Entry DOI: 10.7270/Q26Q20RB
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 5B


(Homo sapiens (Human))
BDBM50267877
PNG
(CHEMBL4103576)
Show SMILES OP(O)(=O)Oc1ccc(CNC(=O)COc2ccc3cc(ccc3c2)C(=O)Nc2cccc(F)c2)cc1OP(O)(O)=O
Show InChI InChI=1S/C26H23FN2O11P2/c27-20-2-1-3-21(13-20)29-26(31)19-6-5-18-12-22(8-7-17(18)11-19)38-15-25(30)28-14-16-4-9-23(39-41(32,33)34)24(10-16)40-42(35,36)37/h1-13H,14-15H2,(H,28,30)(H,29,31)(H2,32,33,34)(H2,35,36,37)
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n/an/a 234n/an/an/an/an/an/a



Institute of Organic Chemistry, Leipzig University, Johannisallee 29, 04103 Leipzig, Germany.

Curated by ChEMBL


Assay Description
Displacement of 5-carboxyfluorescein-GY(PO3H2)LVLDKW from STAT5B SH2 domain (unknown origin) pretreated for 1 hr followed by fluorescent tracer addit...


Bioorg Med Chem 25: 3871-3882 (2017)


Article DOI: 10.1016/j.bmc.2017.05.039
BindingDB Entry DOI: 10.7270/Q26Q20RB
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 5B


(Homo sapiens (Human))
BDBM50267890
PNG
(CHEMBL4085646)
Show SMILES OP(O)(=O)Oc1ccc(CNC(=O)COc2ccc3cc(ccc3c2)C(=O)Nc2ccc(Br)cc2)cc1OP(O)(O)=O
Show InChI InChI=1S/C26H23BrN2O11P2/c27-20-5-7-21(8-6-20)29-26(31)19-3-2-18-13-22(9-4-17(18)12-19)38-15-25(30)28-14-16-1-10-23(39-41(32,33)34)24(11-16)40-42(35,36)37/h1-13H,14-15H2,(H,28,30)(H,29,31)(H2,32,33,34)(H2,35,36,37)
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n/an/a 240n/an/an/an/an/an/a



Institute of Organic Chemistry, Leipzig University, Johannisallee 29, 04103 Leipzig, Germany.

Curated by ChEMBL


Assay Description
Displacement of 5-carboxyfluorescein-GY(PO3H2)LVLDKW from STAT5B SH2 domain (unknown origin) pretreated for 1 hr followed by fluorescent tracer addit...


Bioorg Med Chem 25: 3871-3882 (2017)


Article DOI: 10.1016/j.bmc.2017.05.039
BindingDB Entry DOI: 10.7270/Q26Q20RB
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 5B


(Homo sapiens (Human))
BDBM50267878
PNG
(CHEMBL4104019)
Show SMILES OP(O)(=O)Oc1ccc(CNC(=O)COc2ccc3cc(ccc3c2)C(=O)Nc2cccc(Cl)c2)cc1OP(O)(O)=O
Show InChI InChI=1S/C26H23ClN2O11P2/c27-20-2-1-3-21(13-20)29-26(31)19-6-5-18-12-22(8-7-17(18)11-19)38-15-25(30)28-14-16-4-9-23(39-41(32,33)34)24(10-16)40-42(35,36)37/h1-13H,14-15H2,(H,28,30)(H,29,31)(H2,32,33,34)(H2,35,36,37)
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n/an/a 260n/an/an/an/an/an/a



Institute of Organic Chemistry, Leipzig University, Johannisallee 29, 04103 Leipzig, Germany.

Curated by ChEMBL


Assay Description
Displacement of 5-carboxyfluorescein-GY(PO3H2)LVLDKW from STAT5B SH2 domain (unknown origin) pretreated for 1 hr followed by fluorescent tracer addit...


Bioorg Med Chem 25: 3871-3882 (2017)


Article DOI: 10.1016/j.bmc.2017.05.039
BindingDB Entry DOI: 10.7270/Q26Q20RB
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 5B


(Homo sapiens (Human))
BDBM50267889
PNG
(CHEMBL4080219)
Show SMILES OP(O)(=O)Oc1ccc(CNC(=O)COc2ccc3cc(ccc3c2)C(=O)Nc2ccc(Cl)cc2)cc1OP(O)(O)=O
Show InChI InChI=1S/C26H23ClN2O11P2/c27-20-5-7-21(8-6-20)29-26(31)19-3-2-18-13-22(9-4-17(18)12-19)38-15-25(30)28-14-16-1-10-23(39-41(32,33)34)24(11-16)40-42(35,36)37/h1-13H,14-15H2,(H,28,30)(H,29,31)(H2,32,33,34)(H2,35,36,37)
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n/an/a 270n/an/an/an/an/an/a



Institute of Organic Chemistry, Leipzig University, Johannisallee 29, 04103 Leipzig, Germany.

Curated by ChEMBL


Assay Description
Displacement of 5-carboxyfluorescein-GY(PO3H2)LVLDKW from STAT5B SH2 domain (unknown origin) pretreated for 1 hr followed by fluorescent tracer addit...


Bioorg Med Chem 25: 3871-3882 (2017)


Article DOI: 10.1016/j.bmc.2017.05.039
BindingDB Entry DOI: 10.7270/Q26Q20RB
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 5B


(Homo sapiens (Human))
BDBM50267885
PNG
(CHEMBL4066274)
Show SMILES OP(O)(=O)Oc1ccc(CNC(=O)COc2ccc(cc2)C(=O)Nc2ccccc2)cc1OP(O)(O)=O
Show InChI InChI=1S/C22H22N2O11P2/c25-21(14-33-18-9-7-16(8-10-18)22(26)24-17-4-2-1-3-5-17)23-13-15-6-11-19(34-36(27,28)29)20(12-15)35-37(30,31)32/h1-12H,13-14H2,(H,23,25)(H,24,26)(H2,27,28,29)(H2,30,31,32)
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n/an/a 280n/an/an/an/an/an/a



Institute of Organic Chemistry, Leipzig University, Johannisallee 29, 04103 Leipzig, Germany.

Curated by ChEMBL


Assay Description
Displacement of 5-carboxyfluorescein-GY(PO3H2)LVLDKW from STAT5B SH2 domain (unknown origin) pretreated for 1 hr followed by fluorescent tracer addit...


Bioorg Med Chem 25: 3871-3882 (2017)


Article DOI: 10.1016/j.bmc.2017.05.039
BindingDB Entry DOI: 10.7270/Q26Q20RB
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 5B


(Homo sapiens (Human))
BDBM50267884
PNG
(CHEMBL4086096)
Show SMILES OP(O)(=O)Oc1ccc(CNC(=O)COc2ccc3cc(ccc3c2)C(=O)Nc2cccc(Br)c2)cc1OP(O)(O)=O
Show InChI InChI=1S/C26H23BrN2O11P2/c27-20-2-1-3-21(13-20)29-26(31)19-6-5-18-12-22(8-7-17(18)11-19)38-15-25(30)28-14-16-4-9-23(39-41(32,33)34)24(10-16)40-42(35,36)37/h1-13H,14-15H2,(H,28,30)(H,29,31)(H2,32,33,34)(H2,35,36,37)
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n/an/a 290n/an/an/an/an/an/a



Institute of Organic Chemistry, Leipzig University, Johannisallee 29, 04103 Leipzig, Germany.

Curated by ChEMBL


Assay Description
Displacement of 5-carboxyfluorescein-GY(PO3H2)LVLDKW from STAT5B SH2 domain (unknown origin) pretreated for 1 hr followed by fluorescent tracer addit...


Bioorg Med Chem 25: 3871-3882 (2017)


Article DOI: 10.1016/j.bmc.2017.05.039
BindingDB Entry DOI: 10.7270/Q26Q20RB
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 5B


(Homo sapiens (Human))
BDBM50267887
PNG
(CHEMBL4077592)
Show SMILES OP(O)(=O)Oc1ccc(CNC(=O)COc2ccc(cc2)C(=O)Nc2ccc(Cl)cc2)cc1OP(O)(O)=O
Show InChI InChI=1S/C22H21ClN2O11P2/c23-16-4-6-17(7-5-16)25-22(27)15-2-8-18(9-3-15)34-13-21(26)24-12-14-1-10-19(35-37(28,29)30)20(11-14)36-38(31,32)33/h1-11H,12-13H2,(H,24,26)(H,25,27)(H2,28,29,30)(H2,31,32,33)
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n/an/a 330n/an/an/an/an/an/a



Institute of Organic Chemistry, Leipzig University, Johannisallee 29, 04103 Leipzig, Germany.

Curated by ChEMBL


Assay Description
Displacement of 5-carboxyfluorescein-GY(PO3H2)LVLDKW from STAT5B SH2 domain (unknown origin) pretreated for 1 hr followed by fluorescent tracer addit...


Bioorg Med Chem 25: 3871-3882 (2017)


Article DOI: 10.1016/j.bmc.2017.05.039
BindingDB Entry DOI: 10.7270/Q26Q20RB
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 5B


(Homo sapiens (Human))
BDBM50267886
PNG
(CHEMBL4093849)
Show SMILES OP(O)(=O)Oc1ccc(CNC(=O)COc2ccc(cc2)C(=O)Nc2ccc(F)cc2)cc1OP(O)(O)=O
Show InChI InChI=1S/C22H21FN2O11P2/c23-16-4-6-17(7-5-16)25-22(27)15-2-8-18(9-3-15)34-13-21(26)24-12-14-1-10-19(35-37(28,29)30)20(11-14)36-38(31,32)33/h1-11H,12-13H2,(H,24,26)(H,25,27)(H2,28,29,30)(H2,31,32,33)
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n/an/a 350n/an/an/an/an/an/a



Institute of Organic Chemistry, Leipzig University, Johannisallee 29, 04103 Leipzig, Germany.

Curated by ChEMBL


Assay Description
Displacement of 5-carboxyfluorescein-GY(PO3H2)LVLDKW from STAT5B SH2 domain (unknown origin) pretreated for 1 hr followed by fluorescent tracer addit...


Bioorg Med Chem 25: 3871-3882 (2017)


Article DOI: 10.1016/j.bmc.2017.05.039
BindingDB Entry DOI: 10.7270/Q26Q20RB
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 5B


(Homo sapiens (Human))
BDBM50267876
PNG
(CHEMBL4080740)
Show SMILES OP(O)(=O)Oc1ccc(CNC(=O)COc2ccc(cc2)C(=O)Nc2ccc(Br)cc2)cc1OP(O)(O)=O
Show InChI InChI=1S/C22H21BrN2O11P2/c23-16-4-6-17(7-5-16)25-22(27)15-2-8-18(9-3-15)34-13-21(26)24-12-14-1-10-19(35-37(28,29)30)20(11-14)36-38(31,32)33/h1-11H,12-13H2,(H,24,26)(H,25,27)(H2,28,29,30)(H2,31,32,33)
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n/an/a 390n/an/an/an/an/an/a



Institute of Organic Chemistry, Leipzig University, Johannisallee 29, 04103 Leipzig, Germany.

Curated by ChEMBL


Assay Description
Displacement of 5-carboxyfluorescein-GY(PO3H2)LVLDKW from STAT5B SH2 domain (unknown origin) pretreated for 1 hr followed by fluorescent tracer addit...


Bioorg Med Chem 25: 3871-3882 (2017)


Article DOI: 10.1016/j.bmc.2017.05.039
BindingDB Entry DOI: 10.7270/Q26Q20RB
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 5B


(Homo sapiens (Human))
BDBM50267862
PNG
(CHEMBL4075745)
Show SMILES OP(O)(=O)Oc1ccc(CNC(=O)COc2ccc(cc2)C(=O)Nc2cccc(Cl)c2)cc1OP(O)(O)=O
Show InChI InChI=1S/C22H21ClN2O11P2/c23-16-2-1-3-17(11-16)25-22(27)15-5-7-18(8-6-15)34-13-21(26)24-12-14-4-9-19(35-37(28,29)30)20(10-14)36-38(31,32)33/h1-11H,12-13H2,(H,24,26)(H,25,27)(H2,28,29,30)(H2,31,32,33)
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n/an/a 460n/an/an/an/an/an/a



Institute of Organic Chemistry, Leipzig University, Johannisallee 29, 04103 Leipzig, Germany.

Curated by ChEMBL


Assay Description
Displacement of 5-carboxyfluorescein-GY(PO3H2)LVLDKW from STAT5B SH2 domain (unknown origin) pretreated for 1 hr followed by fluorescent tracer addit...


Bioorg Med Chem 25: 3871-3882 (2017)


Article DOI: 10.1016/j.bmc.2017.05.039
BindingDB Entry DOI: 10.7270/Q26Q20RB
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 5B


(Homo sapiens (Human))
BDBM50267875
PNG
(CHEMBL4062751)
Show SMILES OP(O)(=O)Oc1ccc(CNC(=O)COc2ccc(cc2)C(=O)Nc2cccc(F)c2)cc1OP(O)(O)=O
Show InChI InChI=1S/C22H21FN2O11P2/c23-16-2-1-3-17(11-16)25-22(27)15-5-7-18(8-6-15)34-13-21(26)24-12-14-4-9-19(35-37(28,29)30)20(10-14)36-38(31,32)33/h1-11H,12-13H2,(H,24,26)(H,25,27)(H2,28,29,30)(H2,31,32,33)
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n/an/a 620n/an/an/an/an/an/a



Institute of Organic Chemistry, Leipzig University, Johannisallee 29, 04103 Leipzig, Germany.

Curated by ChEMBL


Assay Description
Displacement of 5-carboxyfluorescein-GY(PO3H2)LVLDKW from STAT5B SH2 domain (unknown origin) pretreated for 1 hr followed by fluorescent tracer addit...


Bioorg Med Chem 25: 3871-3882 (2017)


Article DOI: 10.1016/j.bmc.2017.05.039
BindingDB Entry DOI: 10.7270/Q26Q20RB
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 5B


(Homo sapiens (Human))
BDBM50267891
PNG
(CHEMBL4076474)
Show SMILES OP(O)(=O)Oc1ccc(CNC(=O)COc2ccc(cc2)C(=O)Nc2cccc(Br)c2)cc1OP(O)(O)=O
Show InChI InChI=1S/C22H21BrN2O11P2/c23-16-2-1-3-17(11-16)25-22(27)15-5-7-18(8-6-15)34-13-21(26)24-12-14-4-9-19(35-37(28,29)30)20(10-14)36-38(31,32)33/h1-11H,12-13H2,(H,24,26)(H,25,27)(H2,28,29,30)(H2,31,32,33)
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n/an/a 660n/an/an/an/an/an/a



Institute of Organic Chemistry, Leipzig University, Johannisallee 29, 04103 Leipzig, Germany.

Curated by ChEMBL


Assay Description
Displacement of 5-carboxyfluorescein-GY(PO3H2)LVLDKW from STAT5B SH2 domain (unknown origin) pretreated for 1 hr followed by fluorescent tracer addit...


Bioorg Med Chem 25: 3871-3882 (2017)


Article DOI: 10.1016/j.bmc.2017.05.039
BindingDB Entry DOI: 10.7270/Q26Q20RB
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 5A


(Homo sapiens (Human))
BDBM50267892
PNG
(CHEMBL4088092)
Show SMILES OP(O)(=O)Oc1ccc(CNC(=O)COc2ccc3cc(ccc3c2)C(=O)Nc2ccccc2)cc1OP(O)(O)=O
Show InChI InChI=1S/C26H24N2O11P2/c29-25(27-15-17-6-11-23(38-40(31,32)33)24(12-17)39-41(34,35)36)16-37-22-10-9-18-13-20(8-7-19(18)14-22)26(30)28-21-4-2-1-3-5-21/h1-14H,15-16H2,(H,27,29)(H,28,30)(H2,31,32,33)(H2,34,35,36)
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n/an/a 4.97E+3n/an/an/an/an/an/a



Institute of Organic Chemistry, Leipzig University, Johannisallee 29, 04103 Leipzig, Germany.

Curated by ChEMBL


Assay Description
Displacement of 5-carboxyfluorescein-GY(PO3H2)LVLDKW from C-terminal His6-tagged/N-terminal maltose-binding protein-tagged STAT5A SH2 domain (unknown...


Bioorg Med Chem 25: 3871-3882 (2017)


Article DOI: 10.1016/j.bmc.2017.05.039
BindingDB Entry DOI: 10.7270/Q26Q20RB
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 5A


(Homo sapiens (Human))
BDBM50267888
PNG
(CHEMBL4104462)
Show SMILES OP(O)(=O)Oc1ccc(CNC(=O)COc2ccc3cc(ccc3c2)C(=O)Nc2ccc(F)cc2)cc1OP(O)(O)=O
Show InChI InChI=1S/C26H23FN2O11P2/c27-20-5-7-21(8-6-20)29-26(31)19-3-2-18-13-22(9-4-17(18)12-19)38-15-25(30)28-14-16-1-10-23(39-41(32,33)34)24(11-16)40-42(35,36)37/h1-13H,14-15H2,(H,28,30)(H,29,31)(H2,32,33,34)(H2,35,36,37)
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n/an/a 7.20E+3n/an/an/an/an/an/a



Institute of Organic Chemistry, Leipzig University, Johannisallee 29, 04103 Leipzig, Germany.

Curated by ChEMBL


Assay Description
Displacement of 5-carboxyfluorescein-GY(PO3H2)LVLDKW from STAT5A SH2 domain (unknown origin) pretreated for 1 hr followed by fluorescent tracer addit...


Bioorg Med Chem 25: 3871-3882 (2017)


Article DOI: 10.1016/j.bmc.2017.05.039
BindingDB Entry DOI: 10.7270/Q26Q20RB
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 5A


(Homo sapiens (Human))
BDBM50267878
PNG
(CHEMBL4104019)
Show SMILES OP(O)(=O)Oc1ccc(CNC(=O)COc2ccc3cc(ccc3c2)C(=O)Nc2cccc(Cl)c2)cc1OP(O)(O)=O
Show InChI InChI=1S/C26H23ClN2O11P2/c27-20-2-1-3-21(13-20)29-26(31)19-6-5-18-12-22(8-7-17(18)11-19)38-15-25(30)28-14-16-4-9-23(39-41(32,33)34)24(10-16)40-42(35,36)37/h1-13H,14-15H2,(H,28,30)(H,29,31)(H2,32,33,34)(H2,35,36,37)
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n/an/a 7.30E+3n/an/an/an/an/an/a



Institute of Organic Chemistry, Leipzig University, Johannisallee 29, 04103 Leipzig, Germany.

Curated by ChEMBL


Assay Description
Displacement of 5-carboxyfluorescein-GY(PO3H2)LVLDKW from STAT5A SH2 domain (unknown origin) pretreated for 1 hr followed by fluorescent tracer addit...


Bioorg Med Chem 25: 3871-3882 (2017)


Article DOI: 10.1016/j.bmc.2017.05.039
BindingDB Entry DOI: 10.7270/Q26Q20RB
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 5A


(Homo sapiens (Human))
BDBM50267887
PNG
(CHEMBL4077592)
Show SMILES OP(O)(=O)Oc1ccc(CNC(=O)COc2ccc(cc2)C(=O)Nc2ccc(Cl)cc2)cc1OP(O)(O)=O
Show InChI InChI=1S/C22H21ClN2O11P2/c23-16-4-6-17(7-5-16)25-22(27)15-2-8-18(9-3-15)34-13-21(26)24-12-14-1-10-19(35-37(28,29)30)20(11-14)36-38(31,32)33/h1-11H,12-13H2,(H,24,26)(H,25,27)(H2,28,29,30)(H2,31,32,33)
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n/an/a 7.40E+3n/an/an/an/an/an/a



Institute of Organic Chemistry, Leipzig University, Johannisallee 29, 04103 Leipzig, Germany.

Curated by ChEMBL


Assay Description
Displacement of 5-carboxyfluorescein-GY(PO3H2)LVLDKW from STAT5A SH2 domain (unknown origin) pretreated for 1 hr followed by fluorescent tracer addit...


Bioorg Med Chem 25: 3871-3882 (2017)


Article DOI: 10.1016/j.bmc.2017.05.039
BindingDB Entry DOI: 10.7270/Q26Q20RB
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 5A


(Homo sapiens (Human))
BDBM50267890
PNG
(CHEMBL4085646)
Show SMILES OP(O)(=O)Oc1ccc(CNC(=O)COc2ccc3cc(ccc3c2)C(=O)Nc2ccc(Br)cc2)cc1OP(O)(O)=O
Show InChI InChI=1S/C26H23BrN2O11P2/c27-20-5-7-21(8-6-20)29-26(31)19-3-2-18-13-22(9-4-17(18)12-19)38-15-25(30)28-14-16-1-10-23(39-41(32,33)34)24(11-16)40-42(35,36)37/h1-13H,14-15H2,(H,28,30)(H,29,31)(H2,32,33,34)(H2,35,36,37)
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n/an/a 7.60E+3n/an/an/an/an/an/a



Institute of Organic Chemistry, Leipzig University, Johannisallee 29, 04103 Leipzig, Germany.

Curated by ChEMBL


Assay Description
Displacement of 5-carboxyfluorescein-GY(PO3H2)LVLDKW from STAT5A SH2 domain (unknown origin) pretreated for 1 hr followed by fluorescent tracer addit...


Bioorg Med Chem 25: 3871-3882 (2017)


Article DOI: 10.1016/j.bmc.2017.05.039
BindingDB Entry DOI: 10.7270/Q26Q20RB
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 5A


(Homo sapiens (Human))
BDBM50267886
PNG
(CHEMBL4093849)
Show SMILES OP(O)(=O)Oc1ccc(CNC(=O)COc2ccc(cc2)C(=O)Nc2ccc(F)cc2)cc1OP(O)(O)=O
Show InChI InChI=1S/C22H21FN2O11P2/c23-16-4-6-17(7-5-16)25-22(27)15-2-8-18(9-3-15)34-13-21(26)24-12-14-1-10-19(35-37(28,29)30)20(11-14)36-38(31,32)33/h1-11H,12-13H2,(H,24,26)(H,25,27)(H2,28,29,30)(H2,31,32,33)
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n/an/a 8.30E+3n/an/an/an/an/an/a



Institute of Organic Chemistry, Leipzig University, Johannisallee 29, 04103 Leipzig, Germany.

Curated by ChEMBL


Assay Description
Displacement of 5-carboxyfluorescein-GY(PO3H2)LVLDKW from STAT5A SH2 domain (unknown origin) pretreated for 1 hr followed by fluorescent tracer addit...


Bioorg Med Chem 25: 3871-3882 (2017)


Article DOI: 10.1016/j.bmc.2017.05.039
BindingDB Entry DOI: 10.7270/Q26Q20RB
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 5A


(Homo sapiens (Human))
BDBM50267877
PNG
(CHEMBL4103576)
Show SMILES OP(O)(=O)Oc1ccc(CNC(=O)COc2ccc3cc(ccc3c2)C(=O)Nc2cccc(F)c2)cc1OP(O)(O)=O
Show InChI InChI=1S/C26H23FN2O11P2/c27-20-2-1-3-21(13-20)29-26(31)19-6-5-18-12-22(8-7-17(18)11-19)38-15-25(30)28-14-16-4-9-23(39-41(32,33)34)24(10-16)40-42(35,36)37/h1-13H,14-15H2,(H,28,30)(H,29,31)(H2,32,33,34)(H2,35,36,37)
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n/an/a 8.40E+3n/an/an/an/an/an/a



Institute of Organic Chemistry, Leipzig University, Johannisallee 29, 04103 Leipzig, Germany.

Curated by ChEMBL


Assay Description
Displacement of 5-carboxyfluorescein-GY(PO3H2)LVLDKW from STAT5A SH2 domain (unknown origin) pretreated for 1 hr followed by fluorescent tracer addit...


Bioorg Med Chem 25: 3871-3882 (2017)


Article DOI: 10.1016/j.bmc.2017.05.039
BindingDB Entry DOI: 10.7270/Q26Q20RB
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 5A


(Homo sapiens (Human))
BDBM50267876
PNG
(CHEMBL4080740)
Show SMILES OP(O)(=O)Oc1ccc(CNC(=O)COc2ccc(cc2)C(=O)Nc2ccc(Br)cc2)cc1OP(O)(O)=O
Show InChI InChI=1S/C22H21BrN2O11P2/c23-16-4-6-17(7-5-16)25-22(27)15-2-8-18(9-3-15)34-13-21(26)24-12-14-1-10-19(35-37(28,29)30)20(11-14)36-38(31,32)33/h1-11H,12-13H2,(H,24,26)(H,25,27)(H2,28,29,30)(H2,31,32,33)
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n/an/a 8.60E+3n/an/an/an/an/an/a



Institute of Organic Chemistry, Leipzig University, Johannisallee 29, 04103 Leipzig, Germany.

Curated by ChEMBL


Assay Description
Displacement of 5-carboxyfluorescein-GY(PO3H2)LVLDKW from STAT5A SH2 domain (unknown origin) pretreated for 1 hr followed by fluorescent tracer addit...


Bioorg Med Chem 25: 3871-3882 (2017)


Article DOI: 10.1016/j.bmc.2017.05.039
BindingDB Entry DOI: 10.7270/Q26Q20RB
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 5A


(Homo sapiens (Human))
BDBM50267889
PNG
(CHEMBL4080219)
Show SMILES OP(O)(=O)Oc1ccc(CNC(=O)COc2ccc3cc(ccc3c2)C(=O)Nc2ccc(Cl)cc2)cc1OP(O)(O)=O
Show InChI InChI=1S/C26H23ClN2O11P2/c27-20-5-7-21(8-6-20)29-26(31)19-3-2-18-13-22(9-4-17(18)12-19)38-15-25(30)28-14-16-1-10-23(39-41(32,33)34)24(11-16)40-42(35,36)37/h1-13H,14-15H2,(H,28,30)(H,29,31)(H2,32,33,34)(H2,35,36,37)
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n/an/a 8.90E+3n/an/an/an/an/an/a



Institute of Organic Chemistry, Leipzig University, Johannisallee 29, 04103 Leipzig, Germany.

Curated by ChEMBL


Assay Description
Displacement of 5-carboxyfluorescein-GY(PO3H2)LVLDKW from STAT5A SH2 domain (unknown origin) pretreated for 1 hr followed by fluorescent tracer addit...


Bioorg Med Chem 25: 3871-3882 (2017)


Article DOI: 10.1016/j.bmc.2017.05.039
BindingDB Entry DOI: 10.7270/Q26Q20RB
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 5A


(Homo sapiens (Human))
BDBM50267862
PNG
(CHEMBL4075745)
Show SMILES OP(O)(=O)Oc1ccc(CNC(=O)COc2ccc(cc2)C(=O)Nc2cccc(Cl)c2)cc1OP(O)(O)=O
Show InChI InChI=1S/C22H21ClN2O11P2/c23-16-2-1-3-17(11-16)25-22(27)15-5-7-18(8-6-15)34-13-21(26)24-12-14-4-9-19(35-37(28,29)30)20(10-14)36-38(31,32)33/h1-11H,12-13H2,(H,24,26)(H,25,27)(H2,28,29,30)(H2,31,32,33)
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n/an/a 9.10E+3n/an/an/an/an/an/a



Institute of Organic Chemistry, Leipzig University, Johannisallee 29, 04103 Leipzig, Germany.

Curated by ChEMBL


Assay Description
Displacement of 5-carboxyfluorescein-GY(PO3H2)LVLDKW from STAT5A SH2 domain (unknown origin) pretreated for 1 hr followed by fluorescent tracer addit...


Bioorg Med Chem 25: 3871-3882 (2017)


Article DOI: 10.1016/j.bmc.2017.05.039
BindingDB Entry DOI: 10.7270/Q26Q20RB
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 5A


(Homo sapiens (Human))
BDBM50267885
PNG
(CHEMBL4066274)
Show SMILES OP(O)(=O)Oc1ccc(CNC(=O)COc2ccc(cc2)C(=O)Nc2ccccc2)cc1OP(O)(O)=O
Show InChI InChI=1S/C22H22N2O11P2/c25-21(14-33-18-9-7-16(8-10-18)22(26)24-17-4-2-1-3-5-17)23-13-15-6-11-19(34-36(27,28)29)20(12-15)35-37(30,31)32/h1-12H,13-14H2,(H,23,25)(H,24,26)(H2,27,28,29)(H2,30,31,32)
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n/an/a 9.70E+3n/an/an/an/an/an/a



Institute of Organic Chemistry, Leipzig University, Johannisallee 29, 04103 Leipzig, Germany.

Curated by ChEMBL


Assay Description
Displacement of 5-carboxyfluorescein-GY(PO3H2)LVLDKW from STAT5A SH2 domain (unknown origin) pretreated for 1 hr followed by fluorescent tracer addit...


Bioorg Med Chem 25: 3871-3882 (2017)


Article DOI: 10.1016/j.bmc.2017.05.039
BindingDB Entry DOI: 10.7270/Q26Q20RB
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 5A


(Homo sapiens (Human))
BDBM50267891
PNG
(CHEMBL4076474)
Show SMILES OP(O)(=O)Oc1ccc(CNC(=O)COc2ccc(cc2)C(=O)Nc2cccc(Br)c2)cc1OP(O)(O)=O
Show InChI InChI=1S/C22H21BrN2O11P2/c23-16-2-1-3-17(11-16)25-22(27)15-5-7-18(8-6-15)34-13-21(26)24-12-14-4-9-19(35-37(28,29)30)20(10-14)36-38(31,32)33/h1-11H,12-13H2,(H,24,26)(H,25,27)(H2,28,29,30)(H2,31,32,33)
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n/an/a 1.05E+4n/an/an/an/an/an/a



Institute of Organic Chemistry, Leipzig University, Johannisallee 29, 04103 Leipzig, Germany.

Curated by ChEMBL


Assay Description
Displacement of 5-carboxyfluorescein-GY(PO3H2)LVLDKW from STAT5A SH2 domain (unknown origin) pretreated for 1 hr followed by fluorescent tracer addit...


Bioorg Med Chem 25: 3871-3882 (2017)


Article DOI: 10.1016/j.bmc.2017.05.039
BindingDB Entry DOI: 10.7270/Q26Q20RB
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 5A


(Homo sapiens (Human))
BDBM50267884
PNG
(CHEMBL4086096)
Show SMILES OP(O)(=O)Oc1ccc(CNC(=O)COc2ccc3cc(ccc3c2)C(=O)Nc2cccc(Br)c2)cc1OP(O)(O)=O
Show InChI InChI=1S/C26H23BrN2O11P2/c27-20-2-1-3-21(13-20)29-26(31)19-6-5-18-12-22(8-7-17(18)11-19)38-15-25(30)28-14-16-4-9-23(39-41(32,33)34)24(10-16)40-42(35,36)37/h1-13H,14-15H2,(H,28,30)(H,29,31)(H2,32,33,34)(H2,35,36,37)
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Article
PubMed
n/an/a 1.06E+4n/an/an/an/an/an/a



Institute of Organic Chemistry, Leipzig University, Johannisallee 29, 04103 Leipzig, Germany.

Curated by ChEMBL


Assay Description
Displacement of 5-carboxyfluorescein-GY(PO3H2)LVLDKW from STAT5A SH2 domain (unknown origin) pretreated for 1 hr followed by fluorescent tracer addit...


Bioorg Med Chem 25: 3871-3882 (2017)


Article DOI: 10.1016/j.bmc.2017.05.039
BindingDB Entry DOI: 10.7270/Q26Q20RB
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 5A


(Homo sapiens (Human))
BDBM50267875
PNG
(CHEMBL4062751)
Show SMILES OP(O)(=O)Oc1ccc(CNC(=O)COc2ccc(cc2)C(=O)Nc2cccc(F)c2)cc1OP(O)(O)=O
Show InChI InChI=1S/C22H21FN2O11P2/c23-16-2-1-3-17(11-16)25-22(27)15-5-7-18(8-6-15)34-13-21(26)24-12-14-4-9-19(35-37(28,29)30)20(10-14)36-38(31,32)33/h1-11H,12-13H2,(H,24,26)(H,25,27)(H2,28,29,30)(H2,31,32,33)
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KEGG

UniProtKB/SwissProt

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n/an/a 1.19E+4n/an/an/an/an/an/a



Institute of Organic Chemistry, Leipzig University, Johannisallee 29, 04103 Leipzig, Germany.

Curated by ChEMBL


Assay Description
Displacement of 5-carboxyfluorescein-GY(PO3H2)LVLDKW from STAT5A SH2 domain (unknown origin) pretreated for 1 hr followed by fluorescent tracer addit...


Bioorg Med Chem 25: 3871-3882 (2017)


Article DOI: 10.1016/j.bmc.2017.05.039
BindingDB Entry DOI: 10.7270/Q26Q20RB
More data for this
Ligand-Target Pair
B-cell lymphoma 6 protein


(Homo sapiens)
BDBM50460890
PNG
(CHEMBL4227130)
Show SMILES CC[C@@H](C)[C@@H]1NC(=O)[C@H](CS)NC(=O)[C@@H](NC(=O)[C@H](CS)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC1=O)C(C)C |r|
Show InChI InChI=1S/C35H48N6O8S2/c1-5-19(4)29-35(49)37-25(15-21-8-12-23(43)13-9-21)30(44)36-24(14-20-6-10-22(42)11-7-20)31(45)38-26(16-50)32(46)40-28(18(2)3)34(48)39-27(17-51)33(47)41-29/h6-13,18-19,24-29,42-43,50-51H,5,14-17H2,1-4H3,(H,36,44)(H,37,49)(H,38,45)(H,39,48)(H,40,46)(H,41,47)/t19-,24+,25+,26+,27+,28+,29+/m1/s1
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Article
PubMed
n/an/an/a 1.42E+5n/an/an/an/an/a



University of Southampton

Curated by ChEMBL


Assay Description
Binding affinity to recombinant N-terminal GST-tagged/RED-NHS labelled wild-type BCL6 BTB domain (5 to 129 residues) (unknown origin) expressed in Es...


Bioorg Med Chem 26: 3034-3038 (2018)


Article DOI: 10.1016/j.bmc.2018.03.012
BindingDB Entry DOI: 10.7270/Q2SN0CNC
More data for this
Ligand-Target Pair
B-cell lymphoma 6 protein


(Homo sapiens)
BDBM50460890
PNG
(CHEMBL4227130)
Show SMILES CC[C@@H](C)[C@@H]1NC(=O)[C@H](CS)NC(=O)[C@@H](NC(=O)[C@H](CS)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC1=O)C(C)C |r|
Show InChI InChI=1S/C35H48N6O8S2/c1-5-19(4)29-35(49)37-25(15-21-8-12-23(43)13-9-21)30(44)36-24(14-20-6-10-22(42)11-7-20)31(45)38-26(16-50)32(46)40-28(18(2)3)34(48)39-27(17-51)33(47)41-29/h6-13,18-19,24-29,42-43,50-51H,5,14-17H2,1-4H3,(H,36,44)(H,37,49)(H,38,45)(H,39,48)(H,40,46)(H,41,47)/t19-,24+,25+,26+,27+,28+,29+/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
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UniChem
Article
PubMed
n/an/an/a 5.00E+4n/an/an/an/an/a



University of Southampton

Curated by ChEMBL


Assay Description
Binding affinity to recombinant RED-NHS labelled BCL6 BTB domain (unknown origin) C8Q/C67R/C84N triple mutant expressed in Escherichia coli Rosetta B...


Bioorg Med Chem 26: 3034-3038 (2018)


Article DOI: 10.1016/j.bmc.2018.03.012
BindingDB Entry DOI: 10.7270/Q2SN0CNC
More data for this
Ligand-Target Pair