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Compile Data Set for Download or QSAR

Found 552 hits of kd for UniProtKB: P41182   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
B-cell lymphoma 6 protein


(Homo sapiens)
BDBM313203
PNG
(US9616064, Compound 1af)
Show SMILES Nc1nccc(Nc2ccccc2)n1
Show InChI InChI=1S/C10H10N4/c11-10-12-7-6-9(14-10)13-8-4-2-1-3-5-8/h1-7H,(H3,11,12,13,14)
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n/an/an/a 3.00E+6n/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Binding affinity to captured wild-type human biotinylated Avi-tagged BCL6 BTB domain (5 to 129 amino acid residues) expressed in Escherichia coli BL2...


J Med Chem 60: 4358-4368 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00313
BindingDB Entry DOI: 10.7270/Q2VM4FQW
More data for this
Ligand-Target Pair
B-cell lymphoma 6 protein


(Homo sapiens)
BDBM50266777
PNG
(CHEMBL4098688)
Show SMILES Nc1ncc(F)c(Nc2ccccc2)n1
Show InChI InChI=1S/C10H9FN4/c11-8-6-13-10(12)15-9(8)14-7-4-2-1-3-5-7/h1-6H,(H3,12,13,14,15)
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n/an/an/a 1.80E+5n/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Binding affinity to captured wild-type human biotinylated Avi-tagged BCL6 BTB domain (5 to 129 amino acid residues) expressed in Escherichia coli BL2...


J Med Chem 60: 4358-4368 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00313
BindingDB Entry DOI: 10.7270/Q2VM4FQW
More data for this
Ligand-Target Pair
B-cell lymphoma 6 protein


(Homo sapiens)
BDBM50266778
PNG
(CHEMBL4069971)
Show SMILES Nc1ncc(Cl)c(Nc2ccccc2)n1
Show InChI InChI=1S/C10H9ClN4/c11-8-6-13-10(12)15-9(8)14-7-4-2-1-3-5-7/h1-6H,(H3,12,13,14,15)
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n/an/an/a 6.80E+4n/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Binding affinity to captured wild-type human biotinylated Avi-tagged BCL6 BTB domain (5 to 129 amino acid residues) expressed in Escherichia coli BL2...


J Med Chem 60: 4358-4368 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00313
BindingDB Entry DOI: 10.7270/Q2VM4FQW
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
B-cell lymphoma 6 protein


(Homo sapiens)
BDBM50266779
PNG
(CHEMBL4090952)
Show SMILES Clc1cncnc1Nc1ccc2NC(=O)Cc2c1
Show InChI InChI=1S/C12H9ClN4O/c13-9-5-14-6-15-12(9)16-8-1-2-10-7(3-8)4-11(18)17-10/h1-3,5-6H,4H2,(H,17,18)(H,14,15,16)
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n/an/an/a 9.30E+3n/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Binding affinity to captured wild-type human biotinylated Avi-tagged BCL6 BTB domain (5 to 129 amino acid residues) expressed in Escherichia coli BL2...


J Med Chem 60: 4358-4368 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00313
BindingDB Entry DOI: 10.7270/Q2VM4FQW
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
B-cell lymphoma 6 protein


(Homo sapiens)
BDBM50266780
PNG
(CHEMBL4077392)
Show SMILES Clc1cnc(NCc2cccnc2)nc1Nc1ccc2NC(=O)Cc2c1
Show InChI InChI=1S/C18H15ClN6O/c19-14-10-22-18(21-9-11-2-1-5-20-8-11)25-17(14)23-13-3-4-15-12(6-13)7-16(26)24-15/h1-6,8,10H,7,9H2,(H,24,26)(H2,21,22,23,25)
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n/an/an/a 78n/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Binding affinity to captured wild-type human biotinylated Avi-tagged BCL6 BTB domain (5 to 129 amino acid residues) expressed in Escherichia coli BL2...


J Med Chem 60: 4358-4368 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00313
BindingDB Entry DOI: 10.7270/Q2VM4FQW
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
B-cell lymphoma 6 protein


(Homo sapiens)
BDBM50266781
PNG
(CHEMBL4071294)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CCCNC(N)=N)NC(C)=O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CO)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(O)=O |r|
Show InChI InChI=1S/C86H138N22O26/c1-12-44(7)66(104-80(128)67(45(8)13-2)103-70(118)53(29-30-63(115)116)94-72(120)56(38-109)97-69(117)52(93-48(11)114)25-18-32-90-86(88)89)79(127)100-59(41-112)75(123)105-68(47(10)113)81(129)92-46(9)82(130)106-33-19-26-60(106)77(125)99-58(40-111)74(122)98-57(39-110)73(121)96-55(36-49-37-91-51-23-15-14-22-50(49)51)71(119)101-64(42(3)4)78(126)102-65(43(5)6)84(132)108-35-21-28-62(108)83(131)107-34-20-27-61(107)76(124)95-54(85(133)134)24-16-17-31-87/h14-15,22-23,37,42-47,52-62,64-68,91,109-113H,12-13,16-21,24-36,38-41,87H2,1-11H3,(H,92,129)(H,93,114)(H,94,120)(H,95,124)(H,96,121)(H,97,117)(H,98,122)(H,99,125)(H,100,127)(H,101,119)(H,102,126)(H,103,118)(H,104,128)(H,105,123)(H,115,116)(H,133,134)(H4,88,89,90)/t44-,45-,46-,47+,52-,53-,54-,55-,56-,57-,58-,59-,60-,61-,62-,64-,65-,66-,67-,68-/m0/s1
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n/an/an/a 1.70E+4n/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Binding affinity to captured wild-type human biotinylated Avi-tagged BCL6 BTB domain (5 to 129 amino acid residues) expressed in Escherichia coli BL2...


J Med Chem 60: 4358-4368 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00313
BindingDB Entry DOI: 10.7270/Q2VM4FQW
More data for this
Ligand-Target Pair
B-cell lymphoma 6 protein


(Homo sapiens)
BDBM50266781
PNG
(CHEMBL4071294)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CCCNC(N)=N)NC(C)=O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CO)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(O)=O |r|
Show InChI InChI=1S/C86H138N22O26/c1-12-44(7)66(104-80(128)67(45(8)13-2)103-70(118)53(29-30-63(115)116)94-72(120)56(38-109)97-69(117)52(93-48(11)114)25-18-32-90-86(88)89)79(127)100-59(41-112)75(123)105-68(47(10)113)81(129)92-46(9)82(130)106-33-19-26-60(106)77(125)99-58(40-111)74(122)98-57(39-110)73(121)96-55(36-49-37-91-51-23-15-14-22-50(49)51)71(119)101-64(42(3)4)78(126)102-65(43(5)6)84(132)108-35-21-28-62(108)83(131)107-34-20-27-61(107)76(124)95-54(85(133)134)24-16-17-31-87/h14-15,22-23,37,42-47,52-62,64-68,91,109-113H,12-13,16-21,24-36,38-41,87H2,1-11H3,(H,92,129)(H,93,114)(H,94,120)(H,95,124)(H,96,121)(H,97,117)(H,98,122)(H,99,125)(H,100,127)(H,101,119)(H,102,126)(H,103,118)(H,104,128)(H,105,123)(H,115,116)(H,133,134)(H4,88,89,90)/t44-,45-,46-,47+,52-,53-,54-,55-,56-,57-,58-,59-,60-,61-,62-,64-,65-,66-,67-,68-/m0/s1
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n/an/an/a 1.40E+4n/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Binding affinity to coupled wild-type human biotinylated Avi-tagged BCL6 BTB domain (5 to 129 amino acid residues) expressed in Escherichia coli BL21...


J Med Chem 60: 4358-4368 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00313
BindingDB Entry DOI: 10.7270/Q2VM4FQW
More data for this
Ligand-Target Pair
B-cell lymphoma 6 protein


(Homo sapiens)
BDBM50266781
PNG
(CHEMBL4071294)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CCCNC(N)=N)NC(C)=O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CO)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(O)=O |r|
Show InChI InChI=1S/C86H138N22O26/c1-12-44(7)66(104-80(128)67(45(8)13-2)103-70(118)53(29-30-63(115)116)94-72(120)56(38-109)97-69(117)52(93-48(11)114)25-18-32-90-86(88)89)79(127)100-59(41-112)75(123)105-68(47(10)113)81(129)92-46(9)82(130)106-33-19-26-60(106)77(125)99-58(40-111)74(122)98-57(39-110)73(121)96-55(36-49-37-91-51-23-15-14-22-50(49)51)71(119)101-64(42(3)4)78(126)102-65(43(5)6)84(132)108-35-21-28-62(108)83(131)107-34-20-27-61(107)76(124)95-54(85(133)134)24-16-17-31-87/h14-15,22-23,37,42-47,52-62,64-68,91,109-113H,12-13,16-21,24-36,38-41,87H2,1-11H3,(H,92,129)(H,93,114)(H,94,120)(H,95,124)(H,96,121)(H,97,117)(H,98,122)(H,99,125)(H,100,127)(H,101,119)(H,102,126)(H,103,118)(H,104,128)(H,105,123)(H,115,116)(H,133,134)(H4,88,89,90)/t44-,45-,46-,47+,52-,53-,54-,55-,56-,57-,58-,59-,60-,61-,62-,64-,65-,66-,67-,68-/m0/s1
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n/an/an/a 7.50E+3n/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Binding affinity to wild-type human biotinylated Avi-tagged BCL6 BTB domain (5 to 129 amino acid residues) expressed in Escherichia coli BL21 (DE3) u...


J Med Chem 60: 4358-4368 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00313
BindingDB Entry DOI: 10.7270/Q2VM4FQW
More data for this
Ligand-Target Pair
B-cell lymphoma 6 protein


(Homo sapiens)
BDBM50266781
PNG
(CHEMBL4071294)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CCCNC(N)=N)NC(C)=O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CO)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(O)=O |r|
Show InChI InChI=1S/C86H138N22O26/c1-12-44(7)66(104-80(128)67(45(8)13-2)103-70(118)53(29-30-63(115)116)94-72(120)56(38-109)97-69(117)52(93-48(11)114)25-18-32-90-86(88)89)79(127)100-59(41-112)75(123)105-68(47(10)113)81(129)92-46(9)82(130)106-33-19-26-60(106)77(125)99-58(40-111)74(122)98-57(39-110)73(121)96-55(36-49-37-91-51-23-15-14-22-50(49)51)71(119)101-64(42(3)4)78(126)102-65(43(5)6)84(132)108-35-21-28-62(108)83(131)107-34-20-27-61(107)76(124)95-54(85(133)134)24-16-17-31-87/h14-15,22-23,37,42-47,52-62,64-68,91,109-113H,12-13,16-21,24-36,38-41,87H2,1-11H3,(H,92,129)(H,93,114)(H,94,120)(H,95,124)(H,96,121)(H,97,117)(H,98,122)(H,99,125)(H,100,127)(H,101,119)(H,102,126)(H,103,118)(H,104,128)(H,105,123)(H,115,116)(H,133,134)(H4,88,89,90)/t44-,45-,46-,47+,52-,53-,54-,55-,56-,57-,58-,59-,60-,61-,62-,64-,65-,66-,67-,68-/m0/s1
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n/an/an/a 1.20E+4n/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Binding affinity to wild-type human biotinylated Avi-tagged BCL6 BTB domain (5 to 129 amino acid residues) expressed in Escherichia coli BL21 (DE3) u...


J Med Chem 60: 4358-4368 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00313
BindingDB Entry DOI: 10.7270/Q2VM4FQW
More data for this
Ligand-Target Pair
B-cell lymphoma 6 protein


(Homo sapiens)
BDBM50239395
PNG
(CHEMBL4061302)
Show SMILES OC(=O)CCN1C(=S)S\C(C1=O)=C1/C(=O)Nc2ccc(Cl)cc12
Show InChI InChI=1S/C14H9ClN2O4S2/c15-6-1-2-8-7(5-6)10(12(20)16-8)11-13(21)17(14(22)23-11)4-3-9(18)19/h1-2,5H,3-4H2,(H,16,20)(H,18,19)/b11-10-
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n/an/an/a 7.00E+3n/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Binding affinity to recombinant RED-NHS labeled BCL6 BTB domain (unknown origin) expressed in Escherichia coli BL21 (DE3) after 10 mins by microscale...


J Med Chem 60: 4358-4368 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00313
BindingDB Entry DOI: 10.7270/Q2VM4FQW
More data for this
Ligand-Target Pair
B-cell lymphoma 6 protein


(Homo sapiens)
BDBM50391000
PNG
(CB-01-11 | RIFAMYCIN)
Show SMILES CO[C@H]1\C=C\O[C@@]2(C)Oc3c(C2=O)c2c(O)cc(NC(=O)\C(C)=C/C=C/[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C)c(O)c2c(O)c3C |r,c:23,t:3,25|
Show InChI InChI=1S/C37H47NO12/c1-16-11-10-12-17(2)36(46)38-23-15-24(40)26-27(32(23)44)31(43)21(6)34-28(26)35(45)37(8,50-34)48-14-13-25(47-9)18(3)33(49-22(7)39)20(5)30(42)19(4)29(16)41/h10-16,18-20,25,29-30,33,40-44H,1-9H3,(H,38,46)/b11-10+,14-13+,17-12-/t16-,18+,19+,20+,25-,29-,30+,33+,37-/m0/s1
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n/an/an/a 1.00E+6n/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Binding affinity to 6His-tagged human BCL6 BTB domain (7 to 128 amino acid residues) expressed in Escherichia coli Rosetta (DE3) after 1 min by fluor...


J Med Chem 60: 4358-4368 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00313
BindingDB Entry DOI: 10.7270/Q2VM4FQW
More data for this
Ligand-Target Pair
B-cell lymphoma 6 protein


(Homo sapiens)
BDBM50260529
PNG
(CHEMBL4077626)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(C)C)NC(C)=O)[C@@H](C)O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(O)=O |r|
Show InChI InChI=1S/C83H121N21O20S/c1-10-44(6)67(102-76(118)62(38-65(109)110)99-79(121)68(45(7)106)103-75(117)59(35-47-25-27-50(108)28-26-47)96-74(116)61(37-49-40-91-54-21-14-12-19-52(49)54)97-72(114)58(34-42(2)3)92-46(8)107)78(120)95-55(22-15-30-88-82(84)85)69(111)94-57(29-33-125-9)70(112)100-63(41-105)77(119)98-60(36-48-39-90-53-20-13-11-18-51(48)53)73(115)93-56(23-16-31-89-83(86)87)71(113)101-66(43(4)5)80(122)104-32-17-24-64(104)81(123)124/h11-14,18-21,25-28,39-40,42-45,55-64,66-68,90-91,105-106,108H,10,15-17,22-24,29-38,41H2,1-9H3,(H,92,107)(H,93,115)(H,94,111)(H,95,120)(H,96,116)(H,97,114)(H,98,119)(H,99,121)(H,100,112)(H,101,113)(H,102,118)(H,103,117)(H,109,110)(H,123,124)(H4,84,85,88)(H4,86,87,89)/t44-,45+,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,66-,67-,68-/m0/s1
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n/an/an/a 0.570n/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of BCOR binding to recombinant biotinylated SUMO-tagged BCL6 BTB domain (5 to 129 amino acid residues) (unknown origin) expressed in Esche...


J Med Chem 60: 4358-4368 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00313
BindingDB Entry DOI: 10.7270/Q2VM4FQW
More data for this
Ligand-Target Pair
B-cell lymphoma 6 protein


(Homo sapiens)
BDBM50260534
PNG
(CHEMBL4066375)
Show SMILES OC(=O)CC(N1C(=S)S\C(C1=O)=C1/C(=O)Nc2ccc(Br)cc12)C(O)=O
Show InChI InChI=1S/C15H9BrN2O6S2/c16-5-1-2-7-6(3-5)10(12(21)17-7)11-13(22)18(15(25)26-11)8(14(23)24)4-9(19)20/h1-3,8H,4H2,(H,17,21)(H,19,20)(H,23,24)/b11-10-
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n/an/an/a 1.29E+5n/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Binding affinity to recombinant RED-NHS labeled BCL6 BTB domain (unknown origin) expressed in Escherichia coli BL21 (DE3) after 10 mins by microscale...


J Med Chem 60: 4358-4368 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00313
BindingDB Entry DOI: 10.7270/Q2VM4FQW
More data for this
Ligand-Target Pair
B-cell lymphoma 6 protein


(Homo sapiens)
BDBM50266782
PNG
(Amanozine | Amenozine)
Show SMILES Nc1ncnc(Nc2ccccc2)n1
Show InChI InChI=1S/C9H9N5/c10-8-11-6-12-9(14-8)13-7-4-2-1-3-5-7/h1-6H,(H3,10,11,12,13,14)
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n/an/an/a 1.20E+6n/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Binding affinity to captured wild-type human biotinylated Avi-tagged BCL6 BTB domain (5 to 129 amino acid residues) expressed in Escherichia coli BL2...


J Med Chem 60: 4358-4368 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00313
BindingDB Entry DOI: 10.7270/Q2VM4FQW
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
B-cell lymphoma 6 protein


(Homo sapiens)
BDBM50318884
PNG
(CHEMBL1084546 | CHEMBL2430359 | N-methyl-N-(3-((2-...)
Show SMILES CN(c1ncccc1CNc1nc(Nc2ccc3NC(=O)Cc3c2)ncc1C(F)(F)F)S(C)(=O)=O
Show InChI InChI=1S/C21H20F3N7O3S/c1-31(35(2,33)34)19-12(4-3-7-25-19)10-26-18-15(21(22,23)24)11-27-20(30-18)28-14-5-6-16-13(8-14)9-17(32)29-16/h3-8,11H,9-10H2,1-2H3,(H,29,32)(H2,26,27,28,30)
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n/an/an/a 8.80E+4n/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Binding affinity to captured wild-type human biotinylated Avi-tagged BCL6 BTB domain (5 to 129 amino acid residues) expressed in Escherichia coli BL2...


J Med Chem 60: 4358-4368 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00313
BindingDB Entry DOI: 10.7270/Q2VM4FQW
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
B-cell lymphoma 6 protein


(Homo sapiens)
BDBM50266781
PNG
(CHEMBL4071294)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CCCNC(N)=N)NC(C)=O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CO)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(O)=O |r|
Show InChI InChI=1S/C86H138N22O26/c1-12-44(7)66(104-80(128)67(45(8)13-2)103-70(118)53(29-30-63(115)116)94-72(120)56(38-109)97-69(117)52(93-48(11)114)25-18-32-90-86(88)89)79(127)100-59(41-112)75(123)105-68(47(10)113)81(129)92-46(9)82(130)106-33-19-26-60(106)77(125)99-58(40-111)74(122)98-57(39-110)73(121)96-55(36-49-37-91-51-23-15-14-22-50(49)51)71(119)101-64(42(3)4)78(126)102-65(43(5)6)84(132)108-35-21-28-62(108)83(131)107-34-20-27-61(107)76(124)95-54(85(133)134)24-16-17-31-87/h14-15,22-23,37,42-47,52-62,64-68,91,109-113H,12-13,16-21,24-36,38-41,87H2,1-11H3,(H,92,129)(H,93,114)(H,94,120)(H,95,124)(H,96,121)(H,97,117)(H,98,122)(H,99,125)(H,100,127)(H,101,119)(H,102,126)(H,103,118)(H,104,128)(H,105,123)(H,115,116)(H,133,134)(H4,88,89,90)/t44-,45-,46-,47+,52-,53-,54-,55-,56-,57-,58-,59-,60-,61-,62-,64-,65-,66-,67-,68-/m0/s1
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n/an/an/a 9.30E+3n/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Binding affinity to wild-type human biotinylated Avi-tagged BCL6 BTB domain (5 to 129 amino acid residues) expressed in Escherichia coli BL21 (DE3) u...


J Med Chem 60: 4358-4368 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00313
BindingDB Entry DOI: 10.7270/Q2VM4FQW
More data for this
Ligand-Target Pair
B-cell lymphoma 6 protein


(Homo sapiens)
BDBM50260527
PNG
(CHEMBL4096591)
Show SMILES OCCCNc1cc(Nc2ccc(F)cc2)c2nonc2c1[N+]([O-])=O
Show InChI InChI=1S/C15H14FN5O4/c16-9-2-4-10(5-3-9)18-11-8-12(17-6-1-7-22)15(21(23)24)14-13(11)19-25-20-14/h2-5,8,17-18,22H,1,6-7H2
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n/an/an/a 2.40E+4n/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Binding affinity to wild-type avi-tagged BCL6 BTB domain (unknown origin) by SPR analysis


Bioorg Med Chem 25: 4876-4886 (2017)


Article DOI: 10.1016/j.bmc.2017.07.037
BindingDB Entry DOI: 10.7270/Q2G44SR7
More data for this
Ligand-Target Pair
B-cell lymphoma 6 protein


(Homo sapiens)
BDBM50260528
PNG
(CHEMBL4063725)
Show SMILES [O-][N+](=O)c1ccc(Nc2ccc3[nH]c(=O)[nH]c3c2)c(Cl)c1
Show InChI InChI=1S/C13H9ClN4O3/c14-9-6-8(18(20)21)2-4-10(9)15-7-1-3-11-12(5-7)17-13(19)16-11/h1-6,15H,(H2,16,17,19)
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n/an/an/a 5.00E+3n/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Binding affinity to wild-type avi-tagged BCL6 BTB domain (unknown origin) by SPR analysis


Bioorg Med Chem 25: 4876-4886 (2017)


Article DOI: 10.1016/j.bmc.2017.07.037
BindingDB Entry DOI: 10.7270/Q2G44SR7
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
B-cell lymphoma 6 protein


(Homo sapiens)
BDBM50239395
PNG
(CHEMBL4061302)
Show SMILES OC(=O)CCN1C(=S)S\C(C1=O)=C1/C(=O)Nc2ccc(Cl)cc12
Show InChI InChI=1S/C14H9ClN2O4S2/c15-6-1-2-8-7(5-6)10(12(20)16-8)11-13(21)17(14(22)23-11)4-3-9(18)19/h1-2,5H,3-4H2,(H,16,20)(H,18,19)/b11-10-
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n/an/an/a 7.00E+3n/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Binding affinity to recombinant RED-NHS labelled BCL6 BTB domain (1 to 129 residues) (unknown origin) after 10 mins by microscale thermophoresis meth...


Bioorg Med Chem 25: 4876-4886 (2017)


Article DOI: 10.1016/j.bmc.2017.07.037
BindingDB Entry DOI: 10.7270/Q2G44SR7
More data for this
Ligand-Target Pair
B-cell lymphoma 6 protein


(Homo sapiens)
BDBM50366278
PNG
(CHEMBL4176551)
Show SMILES CCN(CC)C(=O)Cn1cc(CN2CCN(C)CC2)c2ccc(NC(=S)NCCc3c[nH]c4ccccc34)cc12
Show InChI InChI=1S/C31H41N7OS/c1-4-37(5-2)30(39)22-38-21-24(20-36-16-14-35(3)15-17-36)27-11-10-25(18-29(27)38)34-31(40)32-13-12-23-19-33-28-9-7-6-8-26(23)28/h6-11,18-19,21,33H,4-5,12-17,20,22H2,1-3H3,(H2,32,34,40)
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n/an/an/a 2.45E+5n/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Binding affinity to isotopically labeled and N-terminal thioredoxin-His6 tag with N-terminal thrombin-cleavage site containing recombinant BCL6 BTB d...


J Med Chem 61: 7573-7588 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00040
BindingDB Entry DOI: 10.7270/Q27M0BGD
More data for this
Ligand-Target Pair
B-cell lymphoma 6 protein


(Homo sapiens)
BDBM50366280
PNG
(CHEMBL4161441)
Show SMILES CCOC(=O)CNC(=O)Cn1cc(CN2CCN(C)CC2)c2ccc(NC(=S)NCCc3c[nH]c4ccccc34)cc12
Show InChI InChI=1S/C31H39N7O3S/c1-3-41-30(40)18-34-29(39)21-38-20-23(19-37-14-12-36(2)13-15-37)26-9-8-24(16-28(26)38)35-31(42)32-11-10-22-17-33-27-7-5-4-6-25(22)27/h4-9,16-17,20,33H,3,10-15,18-19,21H2,1-2H3,(H,34,39)(H2,32,35,42)
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n/an/an/a 2.83E+5n/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Binding affinity to isotopically labeled and N-terminal thioredoxin-His6 tag with N-terminal thrombin-cleavage site containing recombinant BCL6 BTB d...


J Med Chem 61: 7573-7588 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00040
BindingDB Entry DOI: 10.7270/Q27M0BGD
More data for this
Ligand-Target Pair
B-cell lymphoma 6 protein


(Homo sapiens)
BDBM50366282
PNG
(CHEMBL4172762)
Show SMILES CC(C)NC(=O)Cn1cc(CN2CCN(C)CC2)c2ccc(NC(=S)NCCc3c[nH]c4ccccc34)cc12
Show InChI InChI=1S/C30H39N7OS/c1-21(2)33-29(38)20-37-19-23(18-36-14-12-35(3)13-15-36)26-9-8-24(16-28(26)37)34-30(39)31-11-10-22-17-32-27-7-5-4-6-25(22)27/h4-9,16-17,19,21,32H,10-15,18,20H2,1-3H3,(H,33,38)(H2,31,34,39)
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n/an/an/a 2.19E+5n/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Binding affinity to isotopically labeled and N-terminal thioredoxin-His6 tag with N-terminal thrombin-cleavage site containing recombinant BCL6 BTB d...


J Med Chem 61: 7573-7588 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00040
BindingDB Entry DOI: 10.7270/Q27M0BGD
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
B-cell lymphoma 6 protein


(Homo sapiens)
BDBM50366283
PNG
(CHEMBL4176318)
Show SMILES CN1CCN(Cc2cn(CC(=O)N3CCN(C)CC3)c3cc(NC(=S)NCCc4c[nH]c5ccccc45)ccc23)CC1
Show InChI InChI=1S/C32H42N8OS/c1-36-11-15-38(16-12-36)21-25-22-40(23-31(41)39-17-13-37(2)14-18-39)30-19-26(7-8-28(25)30)35-32(42)33-10-9-24-20-34-29-6-4-3-5-27(24)29/h3-8,19-20,22,34H,9-18,21,23H2,1-2H3,(H2,33,35,42)
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n/an/an/a 2.21E+5n/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Binding affinity to isotopically labeled and N-terminal thioredoxin-His6 tag with N-terminal thrombin-cleavage site containing recombinant BCL6 BTB d...


J Med Chem 61: 7573-7588 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00040
BindingDB Entry DOI: 10.7270/Q27M0BGD
More data for this
Ligand-Target Pair
B-cell lymphoma 6 protein


(Homo sapiens)
BDBM50366284
PNG
(CHEMBL4168460)
Show SMILES CC[C@H](C)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCCNC(N)=N)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@@H](N)CC(C)C)C(C)C)[C@@H](C)O)C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCNC(N)=N)C(O)=O |r|
Show InChI InChI=1S/C82H142N26O24/c1-14-42(9)62(77(128)101-54(34-47-35-89-38-93-47)72(123)98-52(26-28-59(114)115)71(122)106-63(43(10)15-2)79(130)108-32-20-24-56(108)74(125)100-53(80(131)132)23-19-31-91-82(87)88)105-73(124)55(37-109)102-69(120)49(22-18-30-90-81(85)86)96-57(111)36-92-65(116)44(11)94-68(119)51(25-27-58(112)113)97-70(121)50(21-16-17-29-83)99-76(127)61(41(7)8)104-78(129)64(46(13)110)107-66(117)45(12)95-75(126)60(40(5)6)103-67(118)48(84)33-39(3)4/h35,38-46,48-56,60-64,109-110H,14-34,36-37,83-84H2,1-13H3,(H,89,93)(H,92,116)(H,94,119)(H,95,126)(H,96,111)(H,97,121)(H,98,123)(H,99,127)(H,100,125)(H,101,128)(H,102,120)(H,103,118)(H,104,129)(H,105,124)(H,106,122)(H,107,117)(H,112,113)(H,114,115)(H,131,132)(H4,85,86,90)(H4,87,88,91)/t42-,43-,44-,45-,46+,48-,49-,50-,51-,52-,53-,54-,55-,56+,60-,61-,62+,63-,64-/m0/s1
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n/an/an/a 3.00E+4n/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Binding affinity to fluorescently labeled recombinant BCL6 BTB domain (unknown origin) expressed in Escherichia coli BL21 (DE3) incubated for 10 mins...


J Med Chem 61: 7573-7588 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00040
BindingDB Entry DOI: 10.7270/Q27M0BGD
More data for this
Ligand-Target Pair
B-cell lymphoma 6 protein


(Homo sapiens)
BDBM50366285
PNG
(CHEMBL4164855)
Show SMILES COC(=O)Cn1cc(CN2CCN(C)CC2)c2ccc(NC(=S)NCCc3c[nH]c4ccccc34)cc12
Show InChI InChI=1S/C28H34N6O2S/c1-32-11-13-33(14-12-32)17-21-18-34(19-27(35)36-2)26-15-22(7-8-24(21)26)31-28(37)29-10-9-20-16-30-25-6-4-3-5-23(20)25/h3-8,15-16,18,30H,9-14,17,19H2,1-2H3,(H2,29,31,37)
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n/an/an/a 1.91E+5n/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Binding affinity to isotopically labeled and N-terminal thioredoxin-His6 tag with N-terminal thrombin-cleavage site containing recombinant BCL6 BTB d...


J Med Chem 61: 7573-7588 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00040
BindingDB Entry DOI: 10.7270/Q27M0BGD
More data for this
Ligand-Target Pair
B-cell lymphoma 6 protein


(Homo sapiens)
BDBM50366286
PNG
(CHEMBL4169363)
Show SMILES CN1CCN(Cc2cn(CC(=O)NCC(O)=O)c3cc(NC(=S)NCCc4c[nH]c5ccccc45)ccc23)CC1
Show InChI InChI=1S/C29H35N7O3S/c1-34-10-12-35(13-11-34)17-21-18-36(19-27(37)32-16-28(38)39)26-14-22(6-7-24(21)26)33-29(40)30-9-8-20-15-31-25-5-3-2-4-23(20)25/h2-7,14-15,18,31H,8-13,16-17,19H2,1H3,(H,32,37)(H,38,39)(H2,30,33,40)
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n/an/an/a 2.26E+5n/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Binding affinity to isotopically labeled and N-terminal thioredoxin-His6 tag with N-terminal thrombin-cleavage site containing recombinant BCL6 BTB d...


J Med Chem 61: 7573-7588 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00040
BindingDB Entry DOI: 10.7270/Q27M0BGD
More data for this
Ligand-Target Pair
B-cell lymphoma 6 protein


(Homo sapiens)
BDBM50260534
PNG
(CHEMBL4066375)
Show SMILES OC(=O)CC(N1C(=S)S\C(C1=O)=C1/C(=O)Nc2ccc(Br)cc12)C(O)=O
Show InChI InChI=1S/C15H9BrN2O6S2/c16-5-1-2-7-6(3-5)10(12(21)17-7)11-13(22)18(15(25)26-11)8(14(23)24)4-9(19)20/h1-3,8H,4H2,(H,17,21)(H,19,20)(H,23,24)/b11-10-
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n/an/an/a 1.29E+5n/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Binding affinity to fluorescently labeled recombinant BCL6 BTB domain (unknown origin) expressed in Escherichia coli BL21 (DE3) incubated for 10 mins...


J Med Chem 61: 7573-7588 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00040
BindingDB Entry DOI: 10.7270/Q27M0BGD
More data for this
Ligand-Target Pair
B-cell lymphoma 6 protein


(Homo sapiens)
BDBM50239395
PNG
(CHEMBL4061302)
Show SMILES OC(=O)CCN1C(=S)S\C(C1=O)=C1/C(=O)Nc2ccc(Cl)cc12
Show InChI InChI=1S/C14H9ClN2O4S2/c15-6-1-2-8-7(5-6)10(12(20)16-8)11-13(21)17(14(22)23-11)4-3-9(18)19/h1-2,5H,3-4H2,(H,16,20)(H,18,19)/b11-10-
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n/an/an/a 7.00E+3n/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Binding affinity to fluorescently labeled recombinant BCL6 BTB domain (unknown origin) expressed in Escherichia coli BL21 (DE3) incubated for 10 mins...


J Med Chem 61: 7573-7588 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00040
BindingDB Entry DOI: 10.7270/Q27M0BGD
More data for this
Ligand-Target Pair
B-cell lymphoma 6 protein


(Homo sapiens)
BDBM50366287
PNG
(CHEMBL4175189)
Show SMILES S=C(NCCc1ccccc1)Nc1cccnc1
Show InChI InChI=1S/C14H15N3S/c18-14(17-13-7-4-9-15-11-13)16-10-8-12-5-2-1-3-6-12/h1-7,9,11H,8,10H2,(H2,16,17,18)
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n/an/an/a 3.20E+6n/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Binding affinity to isotopically labeled and N-terminal thioredoxin-His6 tag with N-terminal thrombin-cleavage site containing recombinant BCL6 BTB d...


J Med Chem 61: 7573-7588 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00040
BindingDB Entry DOI: 10.7270/Q27M0BGD
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
B-cell lymphoma 6 protein


(Homo sapiens)
BDBM50366279
PNG
(CHEMBL4165932)
Show SMILES CN1CCN(Cc2cn(CC(=O)N3CCCCC3)c3cc(NC(=S)NCCc4c[nH]c5ccccc45)ccc23)CC1
Show InChI InChI=1S/C32H41N7OS/c1-36-15-17-37(18-16-36)21-25-22-39(23-31(40)38-13-5-2-6-14-38)30-19-26(9-10-28(25)30)35-32(41)33-12-11-24-20-34-29-8-4-3-7-27(24)29/h3-4,7-10,19-20,22,34H,2,5-6,11-18,21,23H2,1H3,(H2,33,35,41)
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n/an/an/a 4.05E+5n/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Binding affinity to isotopically labeled and N-terminal thioredoxin-His6 tag with N-terminal thrombin-cleavage site containing recombinant BCL6 BTB d...


J Med Chem 61: 7573-7588 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00040
BindingDB Entry DOI: 10.7270/Q27M0BGD
More data for this
Ligand-Target Pair
B-cell lymphoma 6 protein


(Homo sapiens)
BDBM50366289
PNG
(CHEMBL4163317)
Show SMILES CN1CCN(Cc2cn(CC(=O)N3CCOCC3)c3cc(NC(=S)NCCc4c[nH]c5ccccc45)ccc23)CC1
Show InChI InChI=1S/C31H39N7O2S/c1-35-10-12-36(13-11-35)20-24-21-38(22-30(39)37-14-16-40-17-15-37)29-18-25(6-7-27(24)29)34-31(41)32-9-8-23-19-33-28-5-3-2-4-26(23)28/h2-7,18-19,21,33H,8-17,20,22H2,1H3,(H2,32,34,41)
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n/an/an/a 4.40E+4n/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Binding affinity to isotopically labeled and N-terminal thioredoxin-His6 tag with N-terminal thrombin-cleavage site containing recombinant BCL6 BTB d...


J Med Chem 61: 7573-7588 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00040
BindingDB Entry DOI: 10.7270/Q27M0BGD
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
B-cell lymphoma 6 protein


(Homo sapiens)
BDBM50366291
PNG
(CHEMBL4171221)
Show SMILES CC1CN(CCO1)C(=O)Cn1cc(CN2CCN(C)CC2)c2ccc(NC(=S)NCCc3c[nH]c4ccccc34)cc12
Show InChI InChI=1S/C32H41N7O2S/c1-23-19-38(15-16-41-23)31(40)22-39-21-25(20-37-13-11-36(2)12-14-37)28-8-7-26(17-30(28)39)35-32(42)33-10-9-24-18-34-29-6-4-3-5-27(24)29/h3-8,17-18,21,23,34H,9-16,19-20,22H2,1-2H3,(H2,33,35,42)
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n/an/an/a 1.53E+5n/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Binding affinity to isotopically labeled and N-terminal thioredoxin-His6 tag with N-terminal thrombin-cleavage site containing recombinant BCL6 BTB d...


J Med Chem 61: 7573-7588 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00040
BindingDB Entry DOI: 10.7270/Q27M0BGD
More data for this
Ligand-Target Pair
B-cell lymphoma 6 protein


(Homo sapiens)
BDBM50366289
PNG
(CHEMBL4163317)
Show SMILES CN1CCN(Cc2cn(CC(=O)N3CCOCC3)c3cc(NC(=S)NCCc4c[nH]c5ccccc45)ccc23)CC1
Show InChI InChI=1S/C31H39N7O2S/c1-35-10-12-36(13-11-35)20-24-21-38(22-30(39)37-14-16-40-17-15-37)29-18-25(6-7-27(24)29)34-31(41)32-9-8-23-19-33-28-5-3-2-4-26(23)28/h2-7,18-19,21,33H,8-17,20,22H2,1H3,(H2,32,34,41)
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n/an/an/a 3.60E+4n/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Binding affinity to N-terminal thioredoxin-His6 tag with N-terminal thrombin-cleavage site containing recombinant BCL6 BTB domain C8Q/C67R/C84N/E99V ...


J Med Chem 61: 7573-7588 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00040
BindingDB Entry DOI: 10.7270/Q27M0BGD
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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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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
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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
B-cell lymphoma 6 protein


(Homo sapiens)
BDBM50260534
PNG
(CHEMBL4066375)
Show SMILES OC(=O)CC(N1C(=S)S\C(C1=O)=C1/C(=O)Nc2ccc(Br)cc12)C(O)=O
Show InChI InChI=1S/C15H9BrN2O6S2/c16-5-1-2-7-6(3-5)10(12(21)17-7)11-13(22)18(15(25)26-11)8(14(23)24)4-9(19)20/h1-3,8H,4H2,(H,17,21)(H,19,20)(H,23,24)/b11-10-
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n/an/an/a 1.29E+5n/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Binding affinity to recombinant RED-NHS labelled BCL6 BTB domain (1 to 129 residues) (unknown origin) after 10 mins by microscale thermophoresis meth...


Bioorg Med Chem 25: 4876-4886 (2017)


Article DOI: 10.1016/j.bmc.2017.07.037
BindingDB Entry DOI: 10.7270/Q2G44SR7
More data for this
Ligand-Target Pair
B-cell lymphoma 6 protein


(Homo sapiens)
BDBM50260529
PNG
(CHEMBL4077626)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(C)C)NC(C)=O)[C@@H](C)O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(O)=O |r|
Show InChI InChI=1S/C83H121N21O20S/c1-10-44(6)67(102-76(118)62(38-65(109)110)99-79(121)68(45(7)106)103-75(117)59(35-47-25-27-50(108)28-26-47)96-74(116)61(37-49-40-91-54-21-14-12-19-52(49)54)97-72(114)58(34-42(2)3)92-46(8)107)78(120)95-55(22-15-30-88-82(84)85)69(111)94-57(29-33-125-9)70(112)100-63(41-105)77(119)98-60(36-48-39-90-53-20-13-11-18-51(48)53)73(115)93-56(23-16-31-89-83(86)87)71(113)101-66(43(4)5)80(122)104-32-17-24-64(104)81(123)124/h11-14,18-21,25-28,39-40,42-45,55-64,66-68,90-91,105-106,108H,10,15-17,22-24,29-38,41H2,1-9H3,(H,92,107)(H,93,115)(H,94,111)(H,95,120)(H,96,116)(H,97,114)(H,98,119)(H,99,121)(H,100,112)(H,101,113)(H,102,118)(H,103,117)(H,109,110)(H,123,124)(H4,84,85,88)(H4,86,87,89)/t44-,45+,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,66-,67-,68-/m0/s1
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n/an/an/a 0.570n/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Binding affinity to biotinylated BCL6 (unknown origin) by SPR analysis


Bioorg Med Chem 25: 4876-4886 (2017)


Article DOI: 10.1016/j.bmc.2017.07.037
BindingDB Entry DOI: 10.7270/Q2G44SR7
More data for this
Ligand-Target Pair
B-cell lymphoma 6 protein


(Homo sapiens)
BDBM50508938
PNG
(CHEMBL1984039)
Show SMILES Cc1nn(C)c(C)c1-c1cccc2c(CCCOc3cccc4ccccc34)c([nH]c12)C(O)=O |(-6.44,-15.46,;-4.9,-15.46,;-3.99,-16.71,;-2.53,-16.23,;-1.28,-17.14,;-2.53,-14.69,;-1.28,-13.79,;-3.99,-14.22,;-4.47,-12.75,;-5.97,-12.43,;-6.45,-10.97,;-5.42,-9.83,;-3.91,-10.15,;-2.67,-9.24,;-2.67,-7.7,;-1.33,-6.93,;-1.33,-5.39,;,-4.62,;,-3.08,;-1.33,-2.31,;-1.33,-.77,;;1.33,-.77,;2.67,,;4,-.77,;4,-2.31,;2.67,-3.08,;1.33,-2.31,;-1.42,-10.15,;-1.9,-11.61,;-3.44,-11.61,;.04,-9.67,;1.19,-10.7,;.36,-8.16,)|
Show InChI InChI=1S/C28H27N3O3/c1-17-25(18(2)31(3)30-17)23-13-7-12-21-22(27(28(32)33)29-26(21)23)14-8-16-34-24-15-6-10-19-9-4-5-11-20(19)24/h4-7,9-13,15,29H,8,14,16H2,1-3H3,(H,32,33)
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n/an/an/a 480n/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Binding affinity to Bcl6 (unknown origin) by SPR assay


J Med Chem 62: 9418-9437 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00716
BindingDB Entry DOI: 10.7270/Q2PV6PNH
More data for this
Ligand-Target Pair
B-cell lymphoma 6 protein


(Homo sapiens)
BDBM50508946
PNG
(CHEMBL4093431)
Show SMILES [H][C@]12CCN(C1)c1cc(Nc3cc4CCC(=O)Nc4c(OC\C=C\CO2)c3)n2ncc(C#N)c2n1 |r,t:24|
Show InChI InChI=1S/C24H23N7O3/c25-12-16-13-26-31-21-11-20(28-24(16)31)30-6-5-18(14-30)33-7-1-2-8-34-19-10-17(27-21)9-15-3-4-22(32)29-23(15)19/h1-2,9-11,13,18,27H,3-8,14H2,(H,29,32)/b2-1+/t18-/m0/s1
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n/an/an/a 22n/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Binding affinity to Bcl6 (unknown origin) by SPR assay


J Med Chem 62: 9418-9437 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00716
BindingDB Entry DOI: 10.7270/Q2PV6PNH
More data for this
Ligand-Target Pair
B-cell lymphoma 6 protein


(Homo sapiens)
BDBM50508949
PNG
(CHEMBL4061857)
Show SMILES OC(=O)C[C@@H]1CCCN1c1cc(Nc2ccc3NC(=O)CCc3c2)n2ncc(C#N)c2n1 |r|
Show InChI InChI=1S/C22H21N7O3/c23-11-14-12-24-29-19(25-15-4-5-17-13(8-15)3-6-20(30)26-17)10-18(27-22(14)29)28-7-1-2-16(28)9-21(31)32/h4-5,8,10,12,16,25H,1-3,6-7,9H2,(H,26,30)(H,31,32)/t16-/m0/s1
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n/an/an/a 1.10E+3n/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Binding affinity to Bcl6 (unknown origin) by SPR assay


J Med Chem 62: 9418-9437 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00716
BindingDB Entry DOI: 10.7270/Q2PV6PNH
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
B-cell lymphoma 6 protein


(Homo sapiens)
BDBM50266780
PNG
(CHEMBL4077392)
Show SMILES Clc1cnc(NCc2cccnc2)nc1Nc1ccc2NC(=O)Cc2c1
Show InChI InChI=1S/C18H15ClN6O/c19-14-10-22-18(21-9-11-2-1-5-20-8-11)25-17(14)23-13-3-4-15-12(6-13)7-16(26)24-15/h1-6,8,10H,7,9H2,(H,24,26)(H2,21,22,23,25)
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n/an/an/a 1.19E+3n/an/an/an/an/a



East China Normal University and Shanghai Fengxian District Central Hospital Joint Center for Translational Medicine

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human C-terminal GST-tagged BCL6 BTB domain C8Q/C67R/C84N triple mutant expressed in Escherichia coli BL21 (DE3) cell...


J Med Chem 63: 676-695 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01618
BindingDB Entry DOI: 10.7270/Q2GF0XW8
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
B-cell lymphoma 6 protein


(Homo sapiens)
BDBM50260534
PNG
(CHEMBL4066375)
Show SMILES OC(=O)CC(N1C(=S)S\C(C1=O)=C1/C(=O)Nc2ccc(Br)cc12)C(O)=O
Show InChI InChI=1S/C15H9BrN2O6S2/c16-5-1-2-7-6(3-5)10(12(21)17-7)11-13(22)18(15(25)26-11)8(14(23)24)4-9(19)20/h1-3,8H,4H2,(H,17,21)(H,19,20)(H,23,24)/b11-10-
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n/an/an/a 1.38E+5n/an/an/an/an/a



East China Normal University and Shanghai Fengxian District Central Hospital Joint Center for Translational Medicine

Curated by ChEMBL


Assay Description
Binding affinity to lateral groove of BCL6 BTB domain (unknown origin)


J Med Chem 63: 676-695 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01618
BindingDB Entry DOI: 10.7270/Q2GF0XW8
More data for this
Ligand-Target Pair
B-cell lymphoma 6 protein


(Homo sapiens)
BDBM50520234
PNG
(CHEMBL4538610)
Show SMILES COc1cc(Nc2nc(ncc2F)N2C[C@H](C)N[C@H](C)C2)ccc1NC(=O)c1ccc(s1)C1=CCCC1 |r,t:36|
Show InChI InChI=1S/C27H31FN6O2S/c1-16-14-34(15-17(2)30-16)27-29-13-20(28)25(33-27)31-19-8-9-21(22(12-19)36-3)32-26(35)24-11-10-23(37-24)18-6-4-5-7-18/h6,8-13,16-17,30H,4-5,7,14-15H2,1-3H3,(H,32,35)(H,29,31,33)/t16-,17+
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n/an/an/a 366n/an/an/an/an/a



East China Normal University and Shanghai Fengxian District Central Hospital Joint Center for Translational Medicine

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human C-terminal GST-tagged BCL6 BTB domain C8Q/C67R/C84N triple mutant expressed in Escherichia coli BL21 (DE3) cell...


J Med Chem 63: 676-695 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01618
BindingDB Entry DOI: 10.7270/Q2GF0XW8
More data for this
Ligand-Target Pair
B-cell lymphoma 6 protein


(Homo sapiens)
BDBM50239395
PNG
(CHEMBL4061302)
Show SMILES OC(=O)CCN1C(=S)S\C(C1=O)=C1/C(=O)Nc2ccc(Cl)cc12
Show InChI InChI=1S/C14H9ClN2O4S2/c15-6-1-2-8-7(5-6)10(12(20)16-8)11-13(21)17(14(22)23-11)4-3-9(18)19/h1-2,5H,3-4H2,(H,16,20)(H,18,19)/b11-10-
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n/an/an/a 7.00E+3n/an/an/an/an/a



East China Normal University and Shanghai Fengxian District Central Hospital Joint Center for Translational Medicine

Curated by ChEMBL


Assay Description
Binding affinity to recombinant BCL6 BTB domain (unknown origin) incubated for 10 mins by microscale thermophoresis assay


J Med Chem 63: 676-695 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01618
BindingDB Entry DOI: 10.7270/Q2GF0XW8
More data for this
Ligand-Target Pair
B-cell lymphoma 6 protein


(Homo sapiens)
BDBM50239395
PNG
(CHEMBL4061302)
Show SMILES OC(=O)CCN1C(=S)S\C(C1=O)=C1/C(=O)Nc2ccc(Cl)cc12
Show InChI InChI=1S/C14H9ClN2O4S2/c15-6-1-2-8-7(5-6)10(12(20)16-8)11-13(21)17(14(22)23-11)4-3-9(18)19/h1-2,5H,3-4H2,(H,16,20)(H,18,19)/b11-10-
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n/an/an/a 7.88E+3n/an/an/an/an/a



East China Normal University and Shanghai Fengxian District Central Hospital Joint Center for Translational Medicine

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human C-terminal GST-tagged BCL6 BTB domain C8Q/C67R/C84N triple mutant expressed in Escherichia coli BL21 (DE3) cell...


J Med Chem 63: 676-695 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01618
BindingDB Entry DOI: 10.7270/Q2GF0XW8
More data for this
Ligand-Target Pair
B-cell lymphoma 6 protein [1-129]/Nuclear receptor corepressor 2 [1414-1429]


(Homo sapiens-Homo sapiens (Human))
BDBM536422
PNG
((S)-5-(1-(2-((3-chloro-6- (2,4-dimethylpiperazin- ...)
Show SMILES C[C@H]1CN(C)CCN1c1cc(NC(=O)Cn2cc(-c3cc(C(N)=O)c(O)c(F)c3F)c3c2nc2CCCn2c3=O)c(Cl)c(F)n1 |r|
PDB

UniProtKB/SwissProt

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PC sid
PDB
UniChem
PDB
US Patent
n/an/an/a 5.85n/an/an/an/an/a


TBA

Assay Description
This assay was used to determine whether compounds inhibit the interaction between the BTB domain of BCL6 and a peptide derived from the BCL6 binding...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2Z60S71
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
B-cell lymphoma 6 protein [1-129]/Nuclear receptor corepressor 2 [1414-1429]


(Homo sapiens-Homo sapiens (Human))
BDBM536423
PNG
((S)-3-chloro-5-(1-(2-((5- chloro-2-(3-methyl- morp...)
Show SMILES C[C@H]1COCCN1c1cc(NC(=O)Cn2cc(-c3cc(Cl)c(O)c(c3)C(N)=O)c3c2nc2CCCn2c3=O)c(Cl)cn1 |r|
PDB

UniProtKB/SwissProt

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UniChem
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n/an/an/a 4.48n/an/an/an/an/a


TBA

Assay Description
This assay was used to determine whether compounds inhibit the interaction between the BTB domain of BCL6 and a peptide derived from the BCL6 binding...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2Z60S71
More data for this
Ligand-Target Pair
B-cell lymphoma 6 protein [1-129]/Nuclear receptor corepressor 2 [1414-1429]


(Homo sapiens-Homo sapiens (Human))
BDBM536424
PNG
((S)-5-(1-(2-((5-chloro- 2-(3-methylmorpho- lino)py...)
Show SMILES C[C@H]1COCCN1c1cc(NC(=O)Cn2cc(-c3cc(C(N)=O)c(O)c(F)c3F)c3c2nc2CCCn2c3=O)c(Cl)cn1 |r|
PDB

UniProtKB/SwissProt

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UniChem
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n/an/an/a 25.2n/an/an/an/an/a


TBA

Assay Description
This assay was used to determine whether compounds inhibit the interaction between the BTB domain of BCL6 and a peptide derived from the BCL6 binding...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2Z60S71
More data for this
Ligand-Target Pair
B-cell lymphoma 6 protein [1-129]/Nuclear receptor corepressor 2 [1414-1429]


(Homo sapiens-Homo sapiens (Human))
BDBM536425
PNG
((S)-5-(1-(2-((5-chloro-2- (2,4-dimethylpiperazin-1...)
Show SMILES C[C@H]1CN(C)CCN1c1cc(NC(=O)Cn2cc(-c3cc(C(N)=O)c(O)c(F)c3F)c3c2nc2CCCn2c3=O)c(Cl)cn1 |r|
PDB

UniProtKB/SwissProt

GoogleScholar
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UniChem
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n/an/an/a 23.2n/an/an/an/an/a


TBA

Assay Description
This assay was used to determine whether compounds inhibit the interaction between the BTB domain of BCL6 and a peptide derived from the BCL6 binding...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2Z60S71
More data for this
Ligand-Target Pair
B-cell lymphoma 6 protein [1-129]/Nuclear receptor corepressor 2 [1414-1429]


(Homo sapiens-Homo sapiens (Human))
BDBM536426
PNG
((S)-5-(1-(2-((3-chloro- 2-fluoro-6-(3-methyl- morp...)
Show SMILES C[C@H]1COCCN1c1cc(NC(=O)Cn2cc(-c3cc(C(N)=O)c(O)c(F)c3F)c3c2nc2CCCn2c3=O)c(Cl)c(F)n1 |r|
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
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PC sid
UniChem
US Patent
n/an/an/a 11.7n/an/an/an/an/a


TBA

Assay Description
This assay was used to determine whether compounds inhibit the interaction between the BTB domain of BCL6 and a peptide derived from the BCL6 binding...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2Z60S71
More data for this
Ligand-Target Pair
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