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Compile Data Set for Download or QSAR

Found 64 hits for UniProtKB: P41182   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
BCoR-BCL6


(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
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/a 1n/an/an/an/an/an/a



Takeda Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of C-terminal biotin-labelled BCoR (Arg498 to 514Pro residues) binding to recombinant FLAG-tagged BCL6 BTB (5 to 129 residues) (unknown or...


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
BCoR-BCL6


(Homo sapiens)
BDBM50239363
PNG
(CHEMBL4094351)
Show SMILES OC[C@@H]1C[C@H]2CN1c1cc(Nc3cc4CCC(=O)Nc4c(OC\C=C\CO2)c3)n2ncc(C#N)c2n1
Show InChI InChI=1S/C25H25N7O4/c26-11-16-12-27-32-22-10-21(29-25(16)32)31-13-19(9-18(31)14-33)35-5-1-2-6-36-20-8-17(28-22)7-15-3-4-23(34)30-24(15)20/h1-2,7-8,10,12,18-19,28,33H,3-6,9,13-14H2,(H,30,34)/b2-1+/t18-,19-/m0/s1
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n/an/a 2.90n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of Bcl6 (unknown origin) by TR-FRET assay


J Med Chem 62: 9418-9437 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00716
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
BCoR-BCL6


(Homo sapiens)
BDBM50546198
PNG
(CHEMBL4795171)
Show SMILES CNC(=O)COc1cc2cc(Nc3nc(ncc3Cl)N3C[C@@H](C)C[C@@H](C)C3)cc(OC)c2n(C)c1=O
Show InChI InChI=1S/C25H31ClN6O4/c1-14-6-15(2)12-32(11-14)25-28-10-18(26)23(30-25)29-17-7-16-8-20(36-13-21(33)27-3)24(34)31(4)22(16)19(9-17)35-5/h7-10,14-15H,6,11-13H2,1-5H3,(H,27,33)(H,28,29,30)/t14-,15+
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n/an/a 3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of BCOR peptide binding to BCL6 BTB domain (5 to 129 residues) C8Q/C67R/C84N triple mutant (unknown origin) expressed in Escherichia coli ...


J Med Chem 63: 11330-11361 (2020)

More data for this
Ligand-Target Pair
BCoR-BCL6


(Homo sapiens)
BDBM50546197
PNG
(CHEMBL4755229)
Show SMILES CNC(=O)COc1cc2cc(Nc3nc(ncc3Cl)N3CCC(CC3)C(=O)N(C)C)cc(OC)c2n(C)c1=O
Show InChI InChI=1S/C26H32ClN7O5/c1-28-21(35)14-39-20-11-16-10-17(12-19(38-5)22(16)33(4)25(20)37)30-23-18(27)13-29-26(31-23)34-8-6-15(7-9-34)24(36)32(2)3/h10-13,15H,6-9,14H2,1-5H3,(H,28,35)(H,29,30,31)
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n/an/a 3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of BCOR peptide binding to BCL6 BTB domain (5 to 129 residues) C8Q/C67R/C84N triple mutant (unknown origin) expressed in Escherichia coli ...


J Med Chem 63: 11330-11361 (2020)

More data for this
Ligand-Target Pair
BCoR-BCL6


(Homo sapiens)
BDBM50508945
PNG
(CHEMBL4448503)
Show SMILES C[C@@H]1CCCCN(C)c2cc(Nc3cc4CCC(=O)N(C)c4c(O1)c3)n1ncc(C#N)c1n2
Show InChI InChI=1S/C24H27N7O2/c1-15-6-4-5-9-29(2)20-12-21(31-24(28-20)17(13-25)14-26-31)27-18-10-16-7-8-22(32)30(3)23(16)19(11-18)33-15/h10-12,14-15,27H,4-9H2,1-3H3/t15-/m1/s1
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n/an/a 25n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of Bcl6 (unknown origin) by TR-FRET assay


J Med Chem 62: 9418-9437 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00716
More data for this
Ligand-Target Pair
BCoR-BCL6


(Homo sapiens)
BDBM50239369
PNG
(CHEMBL4100303)
Show SMILES Cc1ccccc1CN1C(=O)CCc2cc3Nc4cc(nc5c(Cl)cnn45)N4C[C@H](C[C@H]4CO)OC\C=C\COc(c3)c12
Show InChI InChI=1S/C32H33ClN6O4/c1-20-6-2-3-7-22(20)17-38-30(41)9-8-21-12-23-13-27(31(21)38)43-11-5-4-10-42-25-14-24(19-40)37(18-25)28-15-29(35-23)39-32(36-28)26(33)16-34-39/h2-7,12-13,15-16,24-25,35,40H,8-11,14,17-19H2,1H3/b5-4+/t24-,25-/m0/s1
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n/an/a 79n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of GAL4 DNA binding domain fused BCL6 BTB domain (unknown origin) expressed in HEK 293T/17 cells after 24 hrs by Bright-Glo luciferase cel...


J Med Chem 60: 4386-4402 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00359
BindingDB Entry DOI: 10.7270/Q2ZW1P1C
More data for this
Ligand-Target Pair
BCoR-BCL6


(Homo sapiens)
BDBM50511629
PNG
(CHEMBL4559074)
Show SMILES Cn1c2ccc(Nc3nc(ncc3Cl)N3CCC(F)(F)C(CO)C3)cc2n(CCC(C)(C)O)c1=O
Show InChI InChI=1S/C23H29ClF2N6O3/c1-22(2,35)6-9-32-18-10-15(4-5-17(18)30(3)21(32)34)28-19-16(24)11-27-20(29-19)31-8-7-23(25,26)14(12-31)13-33/h4-5,10-11,14,33,35H,6-9,12-13H2,1-3H3,(H,27,28,29)
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n/an/a 86n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of recombinant His-tagged human BCL6 expressed in Escherichia coli BL21 AI cell incubated for 2 hrs by TR-FRET assay


J Med Chem 63: 4047-4068 (2020)


Article DOI: 10.1021/acs.jmedchem.9b02076
More data for this
Ligand-Target Pair
BCoR-BCL6


(Homo sapiens)
BDBM50239369
PNG
(CHEMBL4100303)
Show SMILES Cc1ccccc1CN1C(=O)CCc2cc3Nc4cc(nc5c(Cl)cnn45)N4C[C@H](C[C@H]4CO)OC\C=C\COc(c3)c12
Show InChI InChI=1S/C32H33ClN6O4/c1-20-6-2-3-7-22(20)17-38-30(41)9-8-21-12-23-13-27(31(21)38)43-11-5-4-10-42-25-14-24(19-40)37(18-25)28-15-29(35-23)39-32(36-28)26(33)16-34-39/h2-7,12-13,15-16,24-25,35,40H,8-11,14,17-19H2,1H3/b5-4+/t24-,25-/m0/s1
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n/an/a 87n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of GAL4 DNA binding domain fused BCL6 BTB domain (unknown origin) expressed in HEK 293T/17 cells after 24 hrs by Bright-Glo luciferase cel...


J Med Chem 60: 4386-4402 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00359
BindingDB Entry DOI: 10.7270/Q2ZW1P1C
More data for this
Ligand-Target Pair
BCoR-BCL6


(Homo sapiens)
BDBM50511625
PNG
(CHEMBL4574515)
Show SMILES Cn1c2ccc(Nc3nc(ncc3Cl)N3CC(C)(C)OC(C)(C)C3)cc2n(CCC(C)(C)O)c1=O
Show InChI InChI=1S/C25H35ClN6O3/c1-23(2,34)10-11-32-19-12-16(8-9-18(19)30(7)22(32)33)28-20-17(26)13-27-21(29-20)31-14-24(3,4)35-25(5,6)15-31/h8-9,12-13,34H,10-11,14-15H2,1-7H3,(H,27,28,29)
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n/an/a 97n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of recombinant His-tagged human BCL6 expressed in Escherichia coli BL21 AI cell incubated for 2 hrs by TR-FRET assay


J Med Chem 63: 4047-4068 (2020)


Article DOI: 10.1021/acs.jmedchem.9b02076
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
BCoR-BCL6


(Homo sapiens)
BDBM50239385
PNG
(CHEMBL4092565)
Show SMILES COc1cccc(CN2C(=O)CCc3cc4Nc5cc(nc6c(Cl)cnn56)N5C[C@H](C[C@H]5CO)OC\C=C\COc(c4)c23)c1
Show InChI InChI=1S/C32H33ClN6O5/c1-42-24-6-4-5-20(11-24)17-38-30(41)8-7-21-12-22-13-27(31(21)38)44-10-3-2-9-43-25-14-23(19-40)37(18-25)28-15-29(35-22)39-32(36-28)26(33)16-34-39/h2-6,11-13,15-16,23,25,35,40H,7-10,14,17-19H2,1H3/b3-2+/t23-,25-/m0/s1
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n/an/a 100n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Binding affinity against alpha-1 adrenergic receptor in guinea pig cerebral cortical membranes by displacement of [3H]- WB-4101


J Med Chem 60: 4386-4402 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00359
BindingDB Entry DOI: 10.7270/Q2ZW1P1C
More data for this
Ligand-Target Pair
B-cell lymphoma 6 protein


(Homo sapiens)
BDBM50239368
PNG
(CHEMBL4073463)
Show SMILES COc1cccc(CN2C(=O)CCc3cc4Nc5cc(nc6c(cnn56)C#N)N5C[C@H](C[C@H]5CO)OC\C=C\COc(c4)c23)c1
Show InChI InChI=1S/C33H33N7O5/c1-43-26-6-4-5-21(11-26)18-39-31(42)8-7-22-12-24-13-28(32(22)39)45-10-3-2-9-44-27-14-25(20-41)38(19-27)29-15-30(36-24)40-33(37-29)23(16-34)17-35-40/h2-6,11-13,15,17,25,27,36,41H,7-10,14,18-20H2,1H3/b3-2+/t25-,27-/m0/s1
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n/an/a 126n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of GAL4 DNA binding domain fused BCL6 BTB domain (unknown origin) expressed in HEK 293T/17 cells after 24 hrs by Bright-Glo luciferase cel...


J Med Chem 60: 4386-4402 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00359
BindingDB Entry DOI: 10.7270/Q2ZW1P1C
More data for this
Ligand-Target Pair
BCoR-BCL6


(Homo sapiens)
BDBM50511644
PNG
(CHEMBL4465387)
Show SMILES Cn1c2ccc(Nc3nc(ncc3Cl)N3CCCC(CO)C3)cc2n(CCC(C)(C)O)c1=O
Show InChI InChI=1S/C23H31ClN6O3/c1-23(2,33)8-10-30-19-11-16(6-7-18(19)28(3)22(30)32)26-20-17(24)12-25-21(27-20)29-9-4-5-15(13-29)14-31/h6-7,11-12,15,31,33H,4-5,8-10,13-14H2,1-3H3,(H,25,26,27)
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n/an/a 130n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of recombinant His-tagged human BCL6 expressed in Escherichia coli BL21 AI cell incubated for 2 hrs by TR-FRET assay


J Med Chem 63: 4047-4068 (2020)


Article DOI: 10.1021/acs.jmedchem.9b02076
More data for this
Ligand-Target Pair
BCoR-BCL6


(Homo sapiens)
BDBM50239368
PNG
(CHEMBL4073463)
Show SMILES COc1cccc(CN2C(=O)CCc3cc4Nc5cc(nc6c(cnn56)C#N)N5C[C@H](C[C@H]5CO)OC\C=C\COc(c4)c23)c1
Show InChI InChI=1S/C33H33N7O5/c1-43-26-6-4-5-21(11-26)18-39-31(42)8-7-22-12-24-13-28(32(22)39)45-10-3-2-9-44-27-14-25(20-41)38(19-27)29-15-30(36-24)40-33(37-29)23(16-34)17-35-40/h2-6,11-13,15,17,25,27,36,41H,7-10,14,18-20H2,1H3/b3-2+/t25-,27-/m0/s1
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n/an/a 140n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of GAL4 DNA binding domain fused BCL6 BTB domain (unknown origin) expressed in HEK 293T/17 cells after 24 hrs by Bright-Glo luciferase cel...


J Med Chem 60: 4386-4402 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00359
BindingDB Entry DOI: 10.7270/Q2ZW1P1C
More data for this
Ligand-Target Pair
BCoR-BCL6


(Homo sapiens)
BDBM50511624
PNG
(CHEMBL4476234)
Show SMILES C[C@H]1CN(C[C@@H](C)O1)c1ncc(Cl)c(Nc2ccc3n(C)c(=O)n(CCC(C)(C)O)c3c2)n1
Show InChI InChI=1S/C23H31ClN6O3/c1-14-12-29(13-15(2)33-14)21-25-11-17(24)20(27-21)26-16-6-7-18-19(10-16)30(22(31)28(18)5)9-8-23(3,4)32/h6-7,10-11,14-15,32H,8-9,12-13H2,1-5H3,(H,25,26,27)/t14-,15+
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n/an/a 150n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of recombinant His-tagged human BCL6 expressed in Escherichia coli BL21 AI cell incubated for 2 hrs by TR-FRET assay


J Med Chem 63: 4047-4068 (2020)


Article DOI: 10.1021/acs.jmedchem.9b02076
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
BCoR-BCL6


(Homo sapiens)
BDBM50541994
PNG
(CHEMBL4646073)
Show SMILES CNC(=O)COc1cc2cc(Nc3nc(NCc4cccc(c4)S(F)(=O)=O)ncc3Cl)cc(OC)c2n(C)c1=O
Show InChI InChI=1S/C25H24ClFN6O6S/c1-28-21(34)13-39-20-9-15-8-16(10-19(38-3)22(15)33(2)24(20)35)31-23-18(26)12-30-25(32-23)29-11-14-5-4-6-17(7-14)40(27,36)37/h4-10,12H,11,13H2,1-3H3,(H,28,34)(H2,29,30,31,32)
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n/an/a 152n/an/an/an/an/an/a



Dana-Farber Cancer Institute

Curated by ChEMBL


Assay Description
Inhibition FITC-labeled BCoR peptide binding to wild type human BCL6 BTB domain (5 to 129 residues) expressed in baculovirus infected Sf9 cells after...


ACS Med Chem Lett 11: 1269-1273 (2020)


Article DOI: 10.1021/acsmedchemlett.0c00111
More data for this
Ligand-Target Pair
BCoR-BCL6


(Homo sapiens)
BDBM50508944
PNG
(CHEMBL4517433)
Show SMILES CN1C(=O)CCc2cc3Nc4cc(nc5c(cnn45)C#N)N(C)CCCCCOc(c3)c12
Show InChI InChI=1S/C23H25N7O2/c1-28-8-4-3-5-9-32-18-11-17(10-15-6-7-21(31)29(2)22(15)18)26-20-12-19(28)27-23-16(13-24)14-25-30(20)23/h10-12,14,26H,3-9H2,1-2H3
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n/an/a 190n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of Bcl6 (unknown origin) by TR-FRET assay


J Med Chem 62: 9418-9437 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00716
More data for this
Ligand-Target Pair
BCoR-BCL6


(Homo sapiens)
BDBM50511651
PNG
(CHEMBL4458261)
Show SMILES C[C@H]1CN(C[C@@H](C)N1C)c1ncc(Cl)c(Nc2ccc3n(C)c(=O)n(CCC(C)(C)O)c3c2)n1
Show InChI InChI=1S/C24H34ClN7O2/c1-15-13-31(14-16(2)29(15)5)22-26-12-18(25)21(28-22)27-17-7-8-19-20(11-17)32(23(33)30(19)6)10-9-24(3,4)34/h7-8,11-12,15-16,34H,9-10,13-14H2,1-6H3,(H,26,27,28)/t15-,16+
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n/an/a 190n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of recombinant His-tagged human BCL6 expressed in Escherichia coli BL21 AI cell incubated for 2 hrs by TR-FRET assay


J Med Chem 63: 4047-4068 (2020)


Article DOI: 10.1021/acs.jmedchem.9b02076
More data for this
Ligand-Target Pair
B-cell lymphoma 6 protein


(Homo sapiens)
BDBM50239362
PNG
(CHEMBL4064865)
Show SMILES OC[C@@H]1C[C@H]2CN1c1cc(Nc3cc4CCC(=O)N(Cc5ccccc5)c4c(OC\C=C\CO2)c3)n2ncc(Cl)c2n1
Show InChI InChI=1S/C31H31ClN6O4/c32-25-16-33-38-28-15-27(35-31(25)38)36-18-24(14-23(36)19-39)41-10-4-5-11-42-26-13-22(34-28)12-21-8-9-29(40)37(30(21)26)17-20-6-2-1-3-7-20/h1-7,12-13,15-16,23-24,34,39H,8-11,14,17-19H2/b5-4+/t23-,24-/m0/s1
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of GAL4 DNA binding domain fused BCL6 BTB domain (unknown origin) expressed in HEK 293T/17 cells after 24 hrs by Bright-Glo luciferase cel...


J Med Chem 60: 4386-4402 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00359
BindingDB Entry DOI: 10.7270/Q2ZW1P1C
More data for this
Ligand-Target Pair
BCoR-BCL6


(Homo sapiens)
BDBM50239362
PNG
(CHEMBL4064865)
Show SMILES OC[C@@H]1C[C@H]2CN1c1cc(Nc3cc4CCC(=O)N(Cc5ccccc5)c4c(OC\C=C\CO2)c3)n2ncc(Cl)c2n1
Show InChI InChI=1S/C31H31ClN6O4/c32-25-16-33-38-28-15-27(35-31(25)38)36-18-24(14-23(36)19-39)41-10-4-5-11-42-26-13-22(34-28)12-21-8-9-29(40)37(30(21)26)17-20-6-2-1-3-7-20/h1-7,12-13,15-16,23-24,34,39H,8-11,14,17-19H2/b5-4+/t23-,24-/m0/s1
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of GAL4 DNA binding domain fused BCL6 BTB domain (unknown origin) expressed in HEK 293T/17 cells after 24 hrs by Bright-Glo luciferase cel...


J Med Chem 60: 4386-4402 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00359
BindingDB Entry DOI: 10.7270/Q2ZW1P1C
More data for this
Ligand-Target Pair
BCoR-BCL6


(Homo sapiens)
BDBM50511653
PNG
(CHEMBL4573672)
Show SMILES COCC1CN(CCC1(F)F)c1ncc(Cl)c(Nc2ccc3n(C)c(=O)n(CCC(C)(C)O)c3c2)n1
Show InChI InChI=1S/C24H31ClF2N6O3/c1-23(2,35)7-10-33-19-11-16(5-6-18(19)31(3)22(33)34)29-20-17(25)12-28-21(30-20)32-9-8-24(26,27)15(13-32)14-36-4/h5-6,11-12,15,35H,7-10,13-14H2,1-4H3,(H,28,29,30)
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TBA

Curated by ChEMBL


Assay Description
Inhibition of recombinant His-tagged human BCL6 expressed in Escherichia coli BL21 AI cell incubated for 2 hrs by TR-FRET assay


J Med Chem 63: 4047-4068 (2020)


Article DOI: 10.1021/acs.jmedchem.9b02076
More data for this
Ligand-Target Pair
BCoR-BCL6


(Homo sapiens)
BDBM50511645
PNG
(CHEMBL4524719)
Show SMILES Cn1c2ccc(Nc3nc(ncc3Cl)N3C4CCC3CC(F)(F)C4)cc2n(CCC(C)(C)O)c1=O
Show InChI InChI=1S/C24H29ClF2N6O2/c1-23(2,35)8-9-32-19-10-14(4-7-18(19)31(3)22(32)34)29-20-17(25)13-28-21(30-20)33-15-5-6-16(33)12-24(26,27)11-15/h4,7,10,13,15-16,35H,5-6,8-9,11-12H2,1-3H3,(H,28,29,30)
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TBA

Curated by ChEMBL


Assay Description
Inhibition of recombinant His-tagged human BCL6 expressed in Escherichia coli BL21 AI cell incubated for 2 hrs by TR-FRET assay


J Med Chem 63: 4047-4068 (2020)


Article DOI: 10.1021/acs.jmedchem.9b02076
More data for this
Ligand-Target Pair
BCoR-BCL6


(Homo sapiens)
BDBM50541993
PNG
(CHEMBL4640734)
Show SMILES FS(=O)(=O)c1cccc(CNc2ncc(Cl)c(Nc3ccc4NC(=O)Cc4c3)n2)c1
Show InChI InChI=1S/C19H15ClFN5O3S/c20-15-10-23-19(22-9-11-2-1-3-14(6-11)30(21,28)29)26-18(15)24-13-4-5-16-12(7-13)8-17(27)25-16/h1-7,10H,8-9H2,(H,25,27)(H2,22,23,24,26)
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Dana-Farber Cancer Institute

Curated by ChEMBL


Assay Description
Inhibition FITC-labeled BCoR peptide binding to wild type human BCL6 BTB domain (5 to 129 residues) expressed in baculovirus infected Sf9 cells after...


ACS Med Chem Lett 11: 1269-1273 (2020)


Article DOI: 10.1021/acsmedchemlett.0c00111
More data for this
Ligand-Target Pair
BCoR-BCL6


(Homo sapiens)
BDBM50511622
PNG
(CHEMBL4451702)
Show SMILES Cc1cc(C)n(n1)-c1ncc(Cl)c(Nc2ccc3n(C)c(=O)n(CCC(C)(C)O)c3c2)n1
Show InChI InChI=1S/C22H26ClN7O2/c1-13-10-14(2)30(27-13)20-24-12-16(23)19(26-20)25-15-6-7-17-18(11-15)29(21(31)28(17)5)9-8-22(3,4)32/h6-7,10-12,32H,8-9H2,1-5H3,(H,24,25,26)
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TBA

Curated by ChEMBL


Assay Description
Inhibition of recombinant His-tagged human BCL6 expressed in Escherichia coli BL21 AI cell incubated for 2 hrs by TR-FRET assay


J Med Chem 63: 4047-4068 (2020)


Article DOI: 10.1021/acs.jmedchem.9b02076
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
BCoR-BCL6


(Homo sapiens)
BDBM50511648
PNG
(CHEMBL4463841)
Show SMILES Cn1c2ccc(Nc3nc(ncc3Cl)N3CCOCC3)cc2n(CCC(C)(C)O)c1=O
Show InChI InChI=1S/C21H27ClN6O3/c1-21(2,30)6-7-28-17-12-14(4-5-16(17)26(3)20(28)29)24-18-15(22)13-23-19(25-18)27-8-10-31-11-9-27/h4-5,12-13,30H,6-11H2,1-3H3,(H,23,24,25)
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TBA

Curated by ChEMBL


Assay Description
Inhibition of recombinant His-tagged human BCL6 expressed in Escherichia coli BL21 AI cell incubated for 2 hrs by TR-FRET assay


J Med Chem 63: 4047-4068 (2020)


Article DOI: 10.1021/acs.jmedchem.9b02076
More data for this
Ligand-Target Pair
BCoR-BCL6


(Homo sapiens)
BDBM50511627
PNG
(CHEMBL4587209)
Show SMILES Cn1c2ccc(Nc3nc(ncc3Cl)N3CCC(F)(F)CC3)cc2n(CCC(C)(C)O)c1=O
Show InChI InChI=1S/C22H27ClF2N6O2/c1-21(2,33)6-11-31-17-12-14(4-5-16(17)29(3)20(31)32)27-18-15(23)13-26-19(28-18)30-9-7-22(24,25)8-10-30/h4-5,12-13,33H,6-11H2,1-3H3,(H,26,27,28)
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TBA

Curated by ChEMBL


Assay Description
Inhibition of recombinant His-tagged human BCL6 expressed in Escherichia coli BL21 AI cell incubated for 2 hrs by TR-FRET assay


J Med Chem 63: 4047-4068 (2020)


Article DOI: 10.1021/acs.jmedchem.9b02076
More data for this
Ligand-Target Pair
BCoR-BCL6


(Homo sapiens)
BDBM50511628
PNG
(CHEMBL4439574)
Show SMILES CC1CN(CCC1(F)F)c1ncc(Cl)c(Nc2ccc3n(C)c(=O)n(CCC(C)(C)O)c3c2)n1
Show InChI InChI=1S/C23H29ClF2N6O2/c1-14-13-31(9-8-23(14,25)26)20-27-12-16(24)19(29-20)28-15-5-6-17-18(11-15)32(21(33)30(17)4)10-7-22(2,3)34/h5-6,11-12,14,34H,7-10,13H2,1-4H3,(H,27,28,29)
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TBA

Curated by ChEMBL


Assay Description
Inhibition of recombinant His-tagged human BCL6 expressed in Escherichia coli BL21 AI cell incubated for 2 hrs by TR-FRET assay


J Med Chem 63: 4047-4068 (2020)


Article DOI: 10.1021/acs.jmedchem.9b02076
More data for this
Ligand-Target Pair
BCoR-BCL6


(Homo sapiens)
BDBM50541995
PNG
(CHEMBL4644523)
Show SMILES CNC(=O)COc1cc2cc(Nc3nc(NCc4cccc(c4)S(C)(=O)=O)ncc3Cl)cc(OC)c2n(C)c1=O
Show InChI InChI=1S/C26H27ClN6O6S/c1-28-22(34)14-39-21-10-16-9-17(11-20(38-3)23(16)33(2)25(21)35)31-24-19(27)13-30-26(32-24)29-12-15-6-5-7-18(8-15)40(4,36)37/h5-11,13H,12,14H2,1-4H3,(H,28,34)(H2,29,30,31,32)
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Dana-Farber Cancer Institute

Curated by ChEMBL


Assay Description
Inhibition FITC-labeled BCoR peptide binding to wild type human BCL6 BTB domain (5 to 129 residues) expressed in baculovirus infected Sf9 cells after...


ACS Med Chem Lett 11: 1269-1273 (2020)


Article DOI: 10.1021/acsmedchemlett.0c00111
More data for this
Ligand-Target Pair
BCoR-BCL6


(Homo sapiens)
BDBM50508943
PNG
(CHEMBL4077836)
Show SMILES OC[C@@H]1CCCN1c1cc(Nc2ccc3NC(=O)CCc3c2)n2ncc(C#N)c2n1
Show InChI InChI=1S/C21H21N7O2/c22-10-14-11-23-28-19(9-18(26-21(14)28)27-7-1-2-16(27)12-29)24-15-4-5-17-13(8-15)3-6-20(30)25-17/h4-5,8-9,11,16,24,29H,1-3,6-7,12H2,(H,25,30)/t16-/m0/s1
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of Bcl6 (unknown origin) by TR-FRET assay


J Med Chem 62: 9418-9437 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00716
More data for this
Ligand-Target Pair
BCoR-BCL6


(Homo sapiens)
BDBM50511630
PNG
(CHEMBL4466680)
Show SMILES Cn1c2ccc(Nc3nc(ncc3Cl)N3CCCC(C3)C#N)cc2n(CCC(C)(C)O)c1=O
Show InChI InChI=1S/C23H28ClN7O2/c1-23(2,33)8-10-31-19-11-16(6-7-18(19)29(3)22(31)32)27-20-17(24)13-26-21(28-20)30-9-4-5-15(12-25)14-30/h6-7,11,13,15,33H,4-5,8-10,14H2,1-3H3,(H,26,27,28)
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TBA

Curated by ChEMBL


Assay Description
Inhibition of recombinant His-tagged human BCL6 expressed in Escherichia coli BL21 AI cell incubated for 2 hrs by TR-FRET assay


J Med Chem 63: 4047-4068 (2020)


Article DOI: 10.1021/acs.jmedchem.9b02076
More data for this
Ligand-Target Pair
BCoR-BCL6


(Homo sapiens)
BDBM50239380
PNG
(CHEMBL4062105)
Show SMILES OC[C@@H]1C[C@H]2CN1c1cc(Nc3cc4CCC(=O)N(Cc5ccncc5)c4c(OC\C=C\CO2)c3)n2ncc(Cl)c2n1
Show InChI InChI=1S/C30H30ClN7O4/c31-24-15-33-38-27-14-26(35-30(24)38)36-17-23(13-22(36)18-39)41-9-1-2-10-42-25-12-21(34-27)11-20-3-4-28(40)37(29(20)25)16-19-5-7-32-8-6-19/h1-2,5-8,11-12,14-15,22-23,34,39H,3-4,9-10,13,16-18H2/b2-1+/t22-,23-/m0/s1
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of GAL4 DNA binding domain fused BCL6 BTB domain (unknown origin) expressed in HEK 293T/17 cells after 24 hrs by Bright-Glo luciferase cel...


J Med Chem 60: 4386-4402 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00359
BindingDB Entry DOI: 10.7270/Q2ZW1P1C
More data for this
Ligand-Target Pair
BCoR-BCL6


(Homo sapiens)
BDBM50511646
PNG
(CHEMBL4583696)
Show SMILES Cc1ccn(n1)-c1ncc(Cl)c(Nc2ccc3n(C)c(=O)n(CCC(C)(C)O)c3c2)n1
Show InChI InChI=1S/C21H24ClN7O2/c1-13-7-9-29(26-13)19-23-12-15(22)18(25-19)24-14-5-6-16-17(11-14)28(20(30)27(16)4)10-8-21(2,3)31/h5-7,9,11-12,31H,8,10H2,1-4H3,(H,23,24,25)
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TBA

Curated by ChEMBL


Assay Description
Inhibition of recombinant His-tagged human BCL6 expressed in Escherichia coli BL21 AI cell incubated for 2 hrs by TR-FRET assay


J Med Chem 63: 4047-4068 (2020)


Article DOI: 10.1021/acs.jmedchem.9b02076
More data for this
Ligand-Target Pair
BCoR-BCL6


(Homo sapiens)
BDBM50511643
PNG
(CHEMBL4482923)
Show SMILES Cn1c2ccc(Nc3nc(ncc3Cl)N3CCCC(C3)C(F)(F)F)cc2n(CCC(C)(C)O)c1=O
Show InChI InChI=1S/C23H28ClF3N6O2/c1-22(2,35)8-10-33-18-11-15(6-7-17(18)31(3)21(33)34)29-19-16(24)12-28-20(30-19)32-9-4-5-14(13-32)23(25,26)27/h6-7,11-12,14,35H,4-5,8-10,13H2,1-3H3,(H,28,29,30)
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TBA

Curated by ChEMBL


Assay Description
Inhibition of recombinant His-tagged human BCL6 expressed in Escherichia coli BL21 AI cell incubated for 2 hrs by TR-FRET assay


J Med Chem 63: 4047-4068 (2020)


Article DOI: 10.1021/acs.jmedchem.9b02076
More data for this
Ligand-Target Pair
BCoR-BCL6


(Homo sapiens)
BDBM50511636
PNG
(CHEMBL4450499)
Show SMILES Cc1ccnn1-c1ncc(Cl)c(Nc2ccc3n(C)c(=O)n(CCC(C)(C)O)c3c2)n1
Show InChI InChI=1S/C21H24ClN7O2/c1-13-7-9-24-29(13)19-23-12-15(22)18(26-19)25-14-5-6-16-17(11-14)28(20(30)27(16)4)10-8-21(2,3)31/h5-7,9,11-12,31H,8,10H2,1-4H3,(H,23,25,26)
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TBA

Curated by ChEMBL


Assay Description
Inhibition of recombinant His-tagged human BCL6 expressed in Escherichia coli BL21 AI cell incubated for 2 hrs by TR-FRET assay


J Med Chem 63: 4047-4068 (2020)


Article DOI: 10.1021/acs.jmedchem.9b02076
More data for this
Ligand-Target Pair
BCoR-BCL6


(Homo sapiens)
BDBM50239380
PNG
(CHEMBL4062105)
Show SMILES OC[C@@H]1C[C@H]2CN1c1cc(Nc3cc4CCC(=O)N(Cc5ccncc5)c4c(OC\C=C\CO2)c3)n2ncc(Cl)c2n1
Show InChI InChI=1S/C30H30ClN7O4/c31-24-15-33-38-27-14-26(35-30(24)38)36-17-23(13-22(36)18-39)41-9-1-2-10-42-25-12-21(34-27)11-20-3-4-28(40)37(29(20)25)16-19-5-7-32-8-6-19/h1-2,5-8,11-12,14-15,22-23,34,39H,3-4,9-10,13,16-18H2/b2-1+/t22-,23-/m0/s1
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of GAL4 DNA binding domain fused BCL6 BTB domain (unknown origin) expressed in HEK 293T/17 cells after 24 hrs by Bright-Glo luciferase cel...


J Med Chem 60: 4386-4402 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00359
BindingDB Entry DOI: 10.7270/Q2ZW1P1C
More data for this
Ligand-Target Pair
BCoR-BCL6


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

Curated by ChEMBL


Assay Description
Inhibition of recombinant human C-terminal GST-tagged BCL6 BTB domain C8Q/C67R/C84N triple mutant expressed in Escherichia coli BL21 (DE3) cells asse...


J Med Chem 63: 676-695 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01618
More data for this
Ligand-Target Pair
BCoR-BCL6


(Homo sapiens)
BDBM50511641
PNG
(CHEMBL4475529)
Show SMILES Cn1ccnc1-c1ncc(Cl)c(Nc2ccc3n(C)c(=O)n(CCC(C)(C)O)c3c2)n1
Show InChI InChI=1S/C21H24ClN7O2/c1-21(2,31)7-9-29-16-11-13(5-6-15(16)28(4)20(29)30)25-17-14(22)12-24-18(26-17)19-23-8-10-27(19)3/h5-6,8,10-12,31H,7,9H2,1-4H3,(H,24,25,26)
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TBA

Curated by ChEMBL


Assay Description
Inhibition of recombinant His-tagged human BCL6 expressed in Escherichia coli BL21 AI cell incubated for 2 hrs by TR-FRET assay


J Med Chem 63: 4047-4068 (2020)


Article DOI: 10.1021/acs.jmedchem.9b02076
More data for this
Ligand-Target Pair
BCoR-BCL6


(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/a 480n/an/an/an/an/an/a



Takeda Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of biotinylated C-terminal BCOR (unknown origin) binding to wild-type BCL6 BTB domain (5 to 129 amino acid residues) (unknown origin) by E...


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)
BCoR-BCL6


(Homo sapiens)
BDBM50239383
PNG
(CHEMBL4096773)
Show SMILES OC[C@@H]1C[C@H]2CN1c1cc(Nc3cc4CCC(=O)N(CC5CC(F)(F)C5)c4c(OC\C=C\CO2)c3)n2ncc(Cl)c2n1
Show InChI InChI=1S/C29H31ClF2N6O4/c30-22-13-33-38-25-10-24(35-28(22)38)36-15-21(9-20(36)16-39)41-5-1-2-6-42-23-8-19(34-25)7-18-3-4-26(40)37(27(18)23)14-17-11-29(31,32)12-17/h1-2,7-8,10,13,17,20-21,34,39H,3-6,9,11-12,14-16H2/b2-1+/t20-,21-/m0/s1
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n/an/a 480n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of GAL4 DNA binding domain fused BCL6 BTB domain (unknown origin) expressed in HEK 293T/17 cells after 24 hrs by Bright-Glo luciferase cel...


J Med Chem 60: 4386-4402 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00359
BindingDB Entry DOI: 10.7270/Q2ZW1P1C
More data for this
Ligand-Target Pair
BCoR-BCL6


(Homo sapiens)
BDBM50239383
PNG
(CHEMBL4096773)
Show SMILES OC[C@@H]1C[C@H]2CN1c1cc(Nc3cc4CCC(=O)N(CC5CC(F)(F)C5)c4c(OC\C=C\CO2)c3)n2ncc(Cl)c2n1
Show InChI InChI=1S/C29H31ClF2N6O4/c30-22-13-33-38-25-10-24(35-28(22)38)36-15-21(9-20(36)16-39)41-5-1-2-6-42-23-8-19(34-25)7-18-3-4-26(40)37(27(18)23)14-17-11-29(31,32)12-17/h1-2,7-8,10,13,17,20-21,34,39H,3-6,9,11-12,14-16H2/b2-1+/t20-,21-/m0/s1
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n/an/a 501n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of GAL4 DNA binding domain fused BCL6 BTB domain (unknown origin) expressed in HEK 293T/17 cells after 24 hrs by Bright-Glo luciferase cel...


J Med Chem 60: 4386-4402 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00359
BindingDB Entry DOI: 10.7270/Q2ZW1P1C
More data for this
Ligand-Target Pair
BCoR-BCL6


(Homo sapiens)
BDBM50511632
PNG
(CHEMBL4445645)
Show SMILES C[C@H]1CN(C[C@@H](C)C1(F)F)c1ncc(Cl)c(Nc2ccc3n(C)c(=O)n(CCC(C)(C)O)c3c2)n1
Show InChI InChI=1S/C24H31ClF2N6O2/c1-14-12-32(13-15(2)24(14,26)27)21-28-11-17(25)20(30-21)29-16-6-7-18-19(10-16)33(22(34)31(18)5)9-8-23(3,4)35/h6-7,10-11,14-15,35H,8-9,12-13H2,1-5H3,(H,28,29,30)/t14-,15+
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n/an/a 520n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of recombinant His-tagged human BCL6 expressed in Escherichia coli BL21 AI cell incubated for 2 hrs by TR-FRET assay


J Med Chem 63: 4047-4068 (2020)


Article DOI: 10.1021/acs.jmedchem.9b02076
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
BCoR-BCL6


(Homo sapiens)
BDBM50520231
PNG
(CHEMBL4456817)
Show SMILES COc1cc(Nc2nc(ncc2F)N2C[C@H](C)N[C@H](C)C2)ccc1NC(=O)c1ccc(s1)-c1ccoc1
Show InChI InChI=1S/C26H27FN6O3S/c1-15-12-33(13-16(2)29-15)26-28-11-19(27)24(32-26)30-18-4-5-20(21(10-18)35-3)31-25(34)23-7-6-22(37-23)17-8-9-36-14-17/h4-11,14-16,29H,12-13H2,1-3H3,(H,31,34)(H,28,30,32)/t15-,16+
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n/an/a 520n/an/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
Inhibition of recombinant human C-terminal GST-tagged BCL6 BTB domain C8Q/C67R/C84N triple mutant expressed in Escherichia coli BL21 (DE3) cells asse...


J Med Chem 63: 676-695 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01618
More data for this
Ligand-Target Pair
BCoR-BCL6


(Homo sapiens)
BDBM50511623
PNG
(CHEMBL4459012)
Show SMILES CC1CCCN(C1)c1ncc(Cl)c(Nc2ccc3n(C)c(=O)n(CCC(C)(C)O)c3c2)n1
Show InChI InChI=1S/C23H31ClN6O2/c1-15-6-5-10-29(14-15)21-25-13-17(24)20(27-21)26-16-7-8-18-19(12-16)30(22(31)28(18)4)11-9-23(2,3)32/h7-8,12-13,15,32H,5-6,9-11,14H2,1-4H3,(H,25,26,27)
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n/an/a 640n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of recombinant His-tagged human BCL6 expressed in Escherichia coli BL21 AI cell incubated for 2 hrs by TR-FRET assay


J Med Chem 63: 4047-4068 (2020)


Article DOI: 10.1021/acs.jmedchem.9b02076
More data for this
Ligand-Target Pair
BCoR-BCL6


(Homo sapiens)
BDBM50511619
PNG
(CHEMBL4483413)
Show SMILES CSc1ncc(Cl)c(Nc2ccc3n(C)c(=O)n(CCC(C)(C)O)c3c2)n1
Show InChI InChI=1S/C18H22ClN5O2S/c1-18(2,26)7-8-24-14-9-11(5-6-13(14)23(3)17(24)25)21-15-12(19)10-20-16(22-15)27-4/h5-6,9-10,26H,7-8H2,1-4H3,(H,20,21,22)
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n/an/a 680n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of recombinant His-tagged human BCL6 expressed in Escherichia coli BL21 AI cell incubated for 2 hrs by TR-FRET assay


J Med Chem 63: 4047-4068 (2020)


Article DOI: 10.1021/acs.jmedchem.9b02076
More data for this
Ligand-Target Pair
BCoR-BCL6


(Homo sapiens)
BDBM50511607
PNG
(CHEMBL4525209)
Show SMILES Cn1c2ccc(Nc3nc(ncc3Cl)N3CC4CCC(C3)C4(F)F)cc2n(CCC(C)(C)O)c1=O
Show InChI InChI=1S/C24H29ClF2N6O2/c1-23(2,35)8-9-33-19-10-16(6-7-18(19)31(3)22(33)34)29-20-17(25)11-28-21(30-20)32-12-14-4-5-15(13-32)24(14,26)27/h6-7,10-11,14-15,35H,4-5,8-9,12-13H2,1-3H3,(H,28,29,30)
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n/an/a 710n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of recombinant His-tagged human BCL6 expressed in Escherichia coli BL21 AI cell incubated for 2 hrs by TR-FRET assay


J Med Chem 63: 4047-4068 (2020)


Article DOI: 10.1021/acs.jmedchem.9b02076
More data for this
Ligand-Target Pair
BCoR-BCL6


(Homo sapiens)
BDBM50511609
PNG
(CHEMBL4548894)
Show SMILES Cn1c2ccc(Nc3nc(ncc3Cl)-n3cccn3)cc2n(CCC(C)(C)O)c1=O
Show InChI InChI=1S/C20H22ClN7O2/c1-20(2,30)7-10-27-16-11-13(5-6-15(16)26(3)19(27)29)24-17-14(21)12-22-18(25-17)28-9-4-8-23-28/h4-6,8-9,11-12,30H,7,10H2,1-3H3,(H,22,24,25)
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n/an/a 710n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of recombinant His-tagged human BCL6 expressed in Escherichia coli BL21 AI cell incubated for 2 hrs by TR-FRET assay


J Med Chem 63: 4047-4068 (2020)


Article DOI: 10.1021/acs.jmedchem.9b02076
More data for this
Ligand-Target Pair
BCoR-BCL6


(Homo sapiens)
BDBM50511642
PNG
(CHEMBL4547183)
Show SMILES C[C@H]1C[C@@H](C)CN(C1)c1ncc(Cl)c(Nc2ccc3n(C)c(=O)n(CCC(C)(C)O)c3c2)n1
Show InChI InChI=1S/C24H33ClN6O2/c1-15-10-16(2)14-30(13-15)22-26-12-18(25)21(28-22)27-17-6-7-19-20(11-17)31(23(32)29(19)5)9-8-24(3,4)33/h6-7,11-12,15-16,33H,8-10,13-14H2,1-5H3,(H,26,27,28)/t15-,16+
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n/an/a 760n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of recombinant His-tagged human BCL6 expressed in Escherichia coli BL21 AI cell incubated for 2 hrs by TR-FRET assay


J Med Chem 63: 4047-4068 (2020)


Article DOI: 10.1021/acs.jmedchem.9b02076
More data for this
Ligand-Target Pair
BCoR-BCL6


(Homo sapiens)
BDBM50520232
PNG
(CHEMBL4446667)
Show SMILES COc1ccc(Nc2nc(ncc2F)N2C[C@H](C)N[C@H](C)C2)cc1Cl
Show InChI InChI=1S/C17H21ClFN5O/c1-10-8-24(9-11(2)21-10)17-20-7-14(19)16(23-17)22-12-4-5-15(25-3)13(18)6-12/h4-7,10-11,21H,8-9H2,1-3H3,(H,20,22,23)/t10-,11+
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n/an/a 770n/an/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
Inhibition of recombinant human C-terminal GST-tagged BCL6 BTB domain C8Q/C67R/C84N triple mutant expressed in Escherichia coli BL21 (DE3) cells asse...


J Med Chem 63: 676-695 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01618
More data for this
Ligand-Target Pair
BCoR-BCL6


(Homo sapiens)
BDBM50511637
PNG
(CHEMBL4467613)
Show SMILES Cc1cc(C)n(n1)-c1cc(Nc2ccc3n(C)c(=O)n(CCC(C)(C)O)c3c2)c(Cl)cn1
Show InChI InChI=1S/C23H27ClN6O2/c1-14-10-15(2)30(27-14)21-12-18(17(24)13-25-21)26-16-6-7-19-20(11-16)29(22(31)28(19)5)9-8-23(3,4)32/h6-7,10-13,32H,8-9H2,1-5H3,(H,25,26)
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n/an/a 790n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of recombinant His-tagged human BCL6 expressed in Escherichia coli BL21 AI cell incubated for 2 hrs by TR-FRET assay


J Med Chem 63: 4047-4068 (2020)


Article DOI: 10.1021/acs.jmedchem.9b02076
More data for this
Ligand-Target Pair
BCoR-BCL6


(Homo sapiens)
BDBM50239379
PNG
(CHEMBL4083842)
Show SMILES Cc1ccc(CN2C(=O)CCc3cc4Nc5cc(nc6c(Cl)cnn56)N5C[C@H](C[C@H]5CO)OC\C=C\COc(c4)c23)cc1
Show InChI InChI=1S/C32H33ClN6O4/c1-20-4-6-21(7-5-20)17-38-30(41)9-8-22-12-23-13-27(31(22)38)43-11-3-2-10-42-25-14-24(19-40)37(18-25)28-15-29(35-23)39-32(36-28)26(33)16-34-39/h2-7,12-13,15-16,24-25,35,40H,8-11,14,17-19H2,1H3/b3-2+/t24-,25-/m0/s1
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n/an/a 794n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of GAL4 DNA binding domain fused BCL6 BTB domain (unknown origin) expressed in HEK 293T/17 cells after 24 hrs by Bright-Glo luciferase cel...


J Med Chem 60: 4386-4402 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00359
BindingDB Entry DOI: 10.7270/Q2ZW1P1C
More data for this
Ligand-Target Pair
BCoR-BCL6


(Homo sapiens)
BDBM50239379
PNG
(CHEMBL4083842)
Show SMILES Cc1ccc(CN2C(=O)CCc3cc4Nc5cc(nc6c(Cl)cnn56)N5C[C@H](C[C@H]5CO)OC\C=C\COc(c4)c23)cc1
Show InChI InChI=1S/C32H33ClN6O4/c1-20-4-6-21(7-5-20)17-38-30(41)9-8-22-12-23-13-27(31(22)38)43-11-3-2-10-42-25-14-24(19-40)37(18-25)28-15-29(35-23)39-32(36-28)26(33)16-34-39/h2-7,12-13,15-16,24-25,35,40H,8-11,14,17-19H2,1H3/b3-2+/t24-,25-/m0/s1
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n/an/a 830n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of GAL4 DNA binding domain fused BCL6 BTB domain (unknown origin) expressed in HEK 293T/17 cells after 24 hrs by Bright-Glo luciferase cel...


J Med Chem 60: 4386-4402 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00359
BindingDB Entry DOI: 10.7270/Q2ZW1P1C
More data for this
Ligand-Target Pair
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