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Compile Data Set for Download or QSAR

Found 68 hits Enz. Inhib. hit(s) with Target = 'Bromodomain-containing protein 7'   
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
Bromodomain-containing protein 7


(Homo sapiens (Human))
BDBM50028142
PNG
(CHEMBL2177300)
Show SMILES C[C@H]1C[C@@H](Nc2ccc(Cl)cc2)c2cc(ccc2N1C(C)=O)-c1ccc(cc1)C(O)=O |r|
Show InChI InChI=1S/C25H23ClN2O3/c1-15-13-23(27-21-10-8-20(26)9-11-21)22-14-19(7-12-24(22)28(15)16(2)29)17-3-5-18(6-4-17)25(30)31/h3-12,14-15,23,27H,13H2,1-2H3,(H,30,31)/t15-,23+/m0/s1
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n/an/a<1.30n/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of human BRD7 by BROMOscan assay


J Med Chem 57: 8111-31 (2014)


Article DOI: 10.1021/jm5010539
BindingDB Entry DOI: 10.7270/Q23R0VGR
More data for this
Ligand-Target Pair
Bromodomain-containing protein 7


(Homo sapiens (Human))
BDBM50183562
PNG
(CHEMBL3823599)
Show SMILES COc1cc(cc(OC)c1CN(C)C)-c1cn(C)c(=O)c(C)c1C
Show InChI InChI=1S/C19H26N2O3/c1-12-13(2)19(22)21(5)11-15(12)14-8-17(23-6)16(10-20(3)4)18(9-14)24-7/h8-9,11H,10H2,1-7H3
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n/an/a 41n/an/an/an/an/an/a



Boehringer Ingelheim RCV GmbH& Co KG

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal GST-tagged BRD7 expressed in Escherichia coli using tetra-acetylated histone H4 measured after 60 mins by AlphaScreen ...


J Med Chem 59: 4462-75 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01865
BindingDB Entry DOI: 10.7270/Q27H1MJZ
More data for this
Ligand-Target Pair
Bromodomain-containing protein 7


(Homo sapiens (Human))
BDBM50249810
PNG
(CHEMBL4102050)
Show SMILES Cc1cc2cc(NS(=O)(=O)c3ccc(cc3)C#N)ccc2n(C)c1=O
Show InChI InChI=1S/C18H15N3O3S/c1-12-9-14-10-15(5-8-17(14)21(2)18(12)22)20-25(23,24)16-6-3-13(11-19)4-7-16/h3-10,20H,1-2H3
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n/an/a 82n/an/an/an/an/an/a



University College London

Curated by ChEMBL


Assay Description
Inhibition of human BRD7 expressed in Escherichia coli BL21 after 1 hr by BROMOscan assay


J Med Chem 60: 668-680 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01583
BindingDB Entry DOI: 10.7270/Q29K4DQ5
More data for this
Ligand-Target Pair
Bromodomain-containing protein 7


(Homo sapiens (Human))
BDBM50540498
PNG
(CHEMBL4643109)
Show SMILES COc1cc(c(OC)cc1CN(C)CC(=O)NCCOCCOCCNc1cccc2C(=O)N(C3CCC(=O)NC3=O)C(=O)c12)-c1cn(C)c(=O)c2cnccc12
Show InChI InChI=1S/C40H45N7O10/c1-45(21-24-18-33(55-4)27(19-32(24)54-3)29-22-46(2)38(51)28-20-41-11-10-25(28)29)23-35(49)43-13-15-57-17-16-56-14-12-42-30-7-5-6-26-36(30)40(53)47(39(26)52)31-8-9-34(48)44-37(31)50/h5-7,10-11,18-20,22,31,42H,8-9,12-17,21,23H2,1-4H3,(H,43,49)(H,44,48,50)
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n/an/a 100n/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Binding affinity to BRD7 (unknown origin)


J Med Chem 63: 5816-5840 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00075
BindingDB Entry DOI: 10.7270/Q2MG7T12
More data for this
Ligand-Target Pair
Bromodomain-containing protein 7


(Homo sapiens (Human))
BDBM50183561
PNG
(CHEMBL3824146)
Show SMILES COc1cc(cc(OC)c1CN(C)C)-c1cn(C)c(=O)c2ccccc12
Show InChI InChI=1S/C21H24N2O3/c1-22(2)12-18-19(25-4)10-14(11-20(18)26-5)17-13-23(3)21(24)16-9-7-6-8-15(16)17/h6-11,13H,12H2,1-5H3
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n/an/a 108n/an/an/an/an/an/a



Boehringer Ingelheim RCV GmbH& Co KG

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal GST-tagged BRD7 expressed in Escherichia coli using tetra-acetylated histone H4 measured after 60 mins by AlphaScreen ...


J Med Chem 59: 4462-75 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01865
BindingDB Entry DOI: 10.7270/Q27H1MJZ
More data for this
Ligand-Target Pair
Bromodomain-containing protein 7


(Homo sapiens (Human))
BDBM50183448
PNG
(CHEMBL3823478 | US11773085, Compound B2)
Show SMILES COc1cc(cc(OC)c1CN(C)C)-c1cn(C)c(=O)c2cnccc12
Show InChI InChI=1S/C20H23N3O3/c1-22(2)11-17-18(25-4)8-13(9-19(17)26-5)16-12-23(3)20(24)15-10-21-7-6-14(15)16/h6-10,12H,11H2,1-5H3
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n/an/a 117n/an/an/an/an/an/a



Boehringer Ingelheim RCV GmbH& Co KG

Curated by ChEMBL


Assay Description
Inhibition of human BRD7 measured after mins by AlphaScreen assay


J Med Chem 59: 4462-75 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01865
BindingDB Entry DOI: 10.7270/Q27H1MJZ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Bromodomain-containing protein 7


(Homo sapiens (Human))
BDBM50183448
PNG
(CHEMBL3823478 | US11773085, Compound B2)
Show SMILES COc1cc(cc(OC)c1CN(C)C)-c1cn(C)c(=O)c2cnccc12
Show InChI InChI=1S/C20H23N3O3/c1-22(2)11-17-18(25-4)8-13(9-19(17)26-5)16-12-23(3)20(24)15-10-21-7-6-14(15)16/h6-10,12H,11H2,1-5H3
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n/an/a 117n/an/an/an/an/an/a



Boehringer Ingelheim RCV GmbH& Co KG

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal GST-tagged BRD7 expressed in Escherichia coli using tetra-acetylated histone H4 measured after 60 mins by AlphaScreen ...


J Med Chem 59: 4462-75 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01865
BindingDB Entry DOI: 10.7270/Q27H1MJZ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Bromodomain-containing protein 7


(Homo sapiens (Human))
BDBM50183453
PNG
(CHEMBL3824312)
Show SMILES COc1cc(cc(OC)c1CN(C)C)-c1cn(C)c(=O)c2cncnc12
Show InChI InChI=1S/C19H22N4O3/c1-22(2)9-15-16(25-4)6-12(7-17(15)26-5)14-10-23(3)19(24)13-8-20-11-21-18(13)14/h6-8,10-11H,9H2,1-5H3
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n/an/a 188n/an/an/an/an/an/a



Boehringer Ingelheim RCV GmbH& Co KG

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal GST-tagged BRD7 expressed in Escherichia coli using tetra-acetylated histone H4 measured after 60 mins by AlphaScreen ...


J Med Chem 59: 4462-75 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01865
BindingDB Entry DOI: 10.7270/Q27H1MJZ
More data for this
Ligand-Target Pair
Bromodomain-containing protein 7


(Homo sapiens (Human))
BDBM50183564
PNG
(CHEMBL3822990)
Show SMILES COc1cc(cc(OC)c1CN(C)C)-c1cc(C)c(=O)n(C)c1
Show InChI InChI=1S/C18H24N2O3/c1-12-7-14(10-20(4)18(12)21)13-8-16(22-5)15(11-19(2)3)17(9-13)23-6/h7-10H,11H2,1-6H3
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n/an/a 230n/an/an/an/an/an/a



Boehringer Ingelheim RCV GmbH& Co KG

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal GST-tagged BRD7 expressed in Escherichia coli using tetra-acetylated histone H4 measured after 60 mins by AlphaScreen ...


J Med Chem 59: 4462-75 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01865
BindingDB Entry DOI: 10.7270/Q27H1MJZ
More data for this
Ligand-Target Pair
Bromodomain-containing protein 7


(Homo sapiens (Human))
BDBM50183563
PNG
(CHEMBL3823697)
Show SMILES COc1cc(cc(OC)c1CN(C)C)-c1cc(C)c(=O)n(C)c1C
Show InChI InChI=1S/C19H26N2O3/c1-12-8-15(13(2)21(5)19(12)22)14-9-17(23-6)16(11-20(3)4)18(10-14)24-7/h8-10H,11H2,1-7H3
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n/an/a 240n/an/an/an/an/an/a



Boehringer Ingelheim RCV GmbH& Co KG

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal GST-tagged BRD7 expressed in Escherichia coli using tetra-acetylated histone H4 measured after 60 mins by AlphaScreen ...


J Med Chem 59: 4462-75 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01865
BindingDB Entry DOI: 10.7270/Q27H1MJZ
More data for this
Ligand-Target Pair
Bromodomain-containing protein 7


(Homo sapiens (Human))
BDBM50256397
PNG
(CHEMBL4088466)
Show SMILES Cn1cc(-c2cc(ccc2Oc2ccc(F)cc2F)S(C)(=O)=O)c2cc[nH]c(=O)c12
Show InChI InChI=1S/C21H16F2N2O4S/c1-25-11-16(14-7-8-24-21(26)20(14)25)15-10-13(30(2,27)28)4-6-18(15)29-19-5-3-12(22)9-17(19)23/h3-11H,1-2H3,(H,24,26)
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n/an/a>1.00E+3n/an/an/an/an/an/a



AbbVie Inc., Oncology Discovery, 1 North Waukegan Rd., North Chicago, IL 60064, USA.

Curated by ChEMBL


Assay Description
Inhibition of human BRD7 (L125 to R254 residues) expressed in mammalian expression system by BROMOscan assay


Bioorg Med Chem Lett 27: 2225-2233 (2017)


Article DOI: 10.1016/j.bmcl.2017.02.057
BindingDB Entry DOI: 10.7270/Q20P12FJ
More data for this
Ligand-Target Pair
Bromodomain-containing protein 7


(Homo sapiens (Human))
BDBM342597
PNG
(N-[3-(3-methyl-4-oxo-4,5,6,7-tetrahydro-2H-isoindo...)
Show SMILES Cc1[nH]c(c2CCCC(=O)c12)-c1cc(NS(C)(=O)=O)ccc1Oc1ccccc1
Show InChI InChI=1S/C22H22N2O4S/c1-14-21-17(9-6-10-19(21)25)22(23-14)18-13-15(24-29(2,26)27)11-12-20(18)28-16-7-4-3-5-8-16/h3-5,7-8,11-13,23-24H,6,9-10H2,1-2H3
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AbbVie Inc., Oncology Discovery, 1 North Waukegan Rd., North Chicago, IL 60064, USA.

Curated by ChEMBL


Assay Description
Inhibition of human BRD7 (L125 to R254 residues) expressed in mammalian expression system by BROMOscan assay


Bioorg Med Chem Lett 27: 2225-2233 (2017)


Article DOI: 10.1016/j.bmcl.2017.02.057
BindingDB Entry DOI: 10.7270/Q20P12FJ
More data for this
Ligand-Target Pair
Bromodomain-containing protein 7


(Homo sapiens (Human))
BDBM50183517
PNG
(CHEMBL3823859 | US11773085, Compound B50)
Show SMILES COc1cc(cc(OC)c1CN(C)C)-c1cn(C)c(=O)c2ccncc12
Show InChI InChI=1S/C20H23N3O3/c1-22(2)11-17-18(25-4)8-13(9-19(17)26-5)16-12-23(3)20(24)14-6-7-21-10-15(14)16/h6-10,12H,11H2,1-5H3
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n/an/a 1.57E+3n/an/an/an/an/an/a



Boehringer Ingelheim RCV GmbH& Co KG

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal GST-tagged BRD7 expressed in Escherichia coli using tetra-acetylated histone H4 measured after 60 mins by AlphaScreen ...


J Med Chem 59: 4462-75 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01865
BindingDB Entry DOI: 10.7270/Q27H1MJZ
More data for this
Ligand-Target Pair
Bromodomain-containing protein 7


(Homo sapiens (Human))
BDBM50183454
PNG
(CHEMBL3822539)
Show SMILES COc1cc(cc(OC)c1CN(C)C)-c1cn(C)c(=O)c2cccnc12
Show InChI InChI=1S/C20H23N3O3/c1-22(2)11-16-17(25-4)9-13(10-18(16)26-5)15-12-23(3)20(24)14-7-6-8-21-19(14)15/h6-10,12H,11H2,1-5H3
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n/an/a 2.48E+3n/an/an/an/an/an/a



Boehringer Ingelheim RCV GmbH& Co KG

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal GST-tagged BRD7 expressed in Escherichia coli using tetra-acetylated histone H4 measured after 60 mins by AlphaScreen ...


J Med Chem 59: 4462-75 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01865
BindingDB Entry DOI: 10.7270/Q27H1MJZ
More data for this
Ligand-Target Pair
Bromodomain-containing protein 7


(Homo sapiens (Human))
BDBM50183451
PNG
(CHEMBL3823551)
Show SMILES COc1cc(c(OC)cc1CN(C)C)-c1cn(C)c(=O)c(C)c1C
Show InChI InChI=1S/C19H26N2O3/c1-12-13(2)19(22)21(5)11-16(12)15-9-17(23-6)14(10-20(3)4)8-18(15)24-7/h8-9,11H,10H2,1-7H3
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n/an/a 2.98E+3n/an/an/an/an/an/a



Boehringer Ingelheim RCV GmbH& Co KG

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal GST-tagged BRD7 expressed in Escherichia coli using tetra-acetylated histone H4 measured after 60 mins by AlphaScreen ...


J Med Chem 59: 4462-75 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01865
BindingDB Entry DOI: 10.7270/Q27H1MJZ
More data for this
Ligand-Target Pair
Bromodomain-containing protein 7


(Homo sapiens (Human))
BDBM50183452
PNG
(CHEMBL3824351)
Show SMILES COc1cc(c(OC)cc1CN(C)C)-c1cc(C)c(=O)n(C)c1C
Show InChI InChI=1S/C19H26N2O3/c1-12-8-15(13(2)21(5)19(12)22)16-10-17(23-6)14(11-20(3)4)9-18(16)24-7/h8-10H,11H2,1-7H3
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n/an/a 3.28E+3n/an/an/an/an/an/a



Boehringer Ingelheim RCV GmbH& Co KG

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal GST-tagged BRD7 expressed in Escherichia coli using tetra-acetylated histone H4 measured after 60 mins by AlphaScreen ...


J Med Chem 59: 4462-75 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01865
BindingDB Entry DOI: 10.7270/Q27H1MJZ
More data for this
Ligand-Target Pair
Bromodomain-containing protein 7


(Homo sapiens (Human))
BDBM50183449
PNG
(CHEMBL3823101 | US11773085, Compound B23)
Show SMILES COc1cc(c(OC)cc1CN(C)C)-c1cn(C)c(=O)c2cnccc12
Show InChI InChI=1S/C20H23N3O3/c1-22(2)11-13-8-19(26-5)15(9-18(13)25-4)17-12-23(3)20(24)16-10-21-7-6-14(16)17/h6-10,12H,11H2,1-5H3
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n/an/a 3.41E+3n/an/an/an/an/an/a



Boehringer Ingelheim RCV GmbH& Co KG

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal GST-tagged BRD7 expressed in Escherichia coli using tetra-acetylated histone H4 measured after 60 mins by AlphaScreen ...


J Med Chem 59: 4462-75 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01865
BindingDB Entry DOI: 10.7270/Q27H1MJZ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Bromodomain-containing protein 7


(Homo sapiens (Human))
BDBM50183449
PNG
(CHEMBL3823101 | US11773085, Compound B23)
Show SMILES COc1cc(c(OC)cc1CN(C)C)-c1cn(C)c(=O)c2cnccc12
Show InChI InChI=1S/C20H23N3O3/c1-22(2)11-13-8-19(26-5)15(9-18(13)25-4)17-12-23(3)20(24)16-10-21-7-6-14(16)17/h6-10,12H,11H2,1-5H3
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n/an/a 3.41E+3n/an/an/an/an/an/a



Boehringer Ingelheim RCV GmbH& Co KG

Curated by ChEMBL


Assay Description
Inhibition of human BRD7 measured after mins by AlphaScreen assay


J Med Chem 59: 4462-75 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01865
BindingDB Entry DOI: 10.7270/Q27H1MJZ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Bromodomain-containing protein 7


(Homo sapiens (Human))
BDBM50183560
PNG
(CHEMBL3822909)
Show SMILES COc1cc(cc(OC)c1CN(C)C)-c1cn(C)c(=O)c2ncccc12
Show InChI InChI=1S/C20H23N3O3/c1-22(2)11-16-17(25-4)9-13(10-18(16)26-5)15-12-23(3)20(24)19-14(15)7-6-8-21-19/h6-10,12H,11H2,1-5H3
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n/an/a 3.73E+3n/an/an/an/an/an/a



Boehringer Ingelheim RCV GmbH& Co KG

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal GST-tagged BRD7 expressed in Escherichia coli using tetra-acetylated histone H4 measured after 60 mins by AlphaScreen ...


J Med Chem 59: 4462-75 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01865
BindingDB Entry DOI: 10.7270/Q27H1MJZ
More data for this
Ligand-Target Pair
Bromodomain-containing protein 7


(Homo sapiens (Human))
BDBM50183450
PNG
(CHEMBL3824133)
Show SMILES COc1cc(c(OC)cc1CN(C)C)-c1cn(C)c(=O)c2ccccc12
Show InChI InChI=1S/C21H24N2O3/c1-22(2)12-14-10-20(26-5)17(11-19(14)25-4)18-13-23(3)21(24)16-9-7-6-8-15(16)18/h6-11,13H,12H2,1-5H3
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n/an/a 4.31E+3n/an/an/an/an/an/a



Boehringer Ingelheim RCV GmbH& Co KG

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal GST-tagged BRD7 expressed in Escherichia coli using tetra-acetylated histone H4 measured after 60 mins by AlphaScreen ...


J Med Chem 59: 4462-75 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01865
BindingDB Entry DOI: 10.7270/Q27H1MJZ
More data for this
Ligand-Target Pair
Bromodomain-containing protein 7


(Homo sapiens (Human))
BDBM50504159
PNG
(CHEMBL4583297)
Show SMILES CC1(NC(=O)N(CC(=O)Nc2ccc(Br)c(c2)S(=O)(=O)N2CCCCC2)C1=O)C1CC1
Show InChI InChI=1S/C20H25BrN4O5S/c1-20(13-5-6-13)18(27)25(19(28)23-20)12-17(26)22-14-7-8-15(21)16(11-14)31(29,30)24-9-3-2-4-10-24/h7-8,11,13H,2-6,9-10,12H2,1H3,(H,22,26)(H,23,28)
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n/an/a 6.31E+4n/an/an/an/an/an/a



Cellzome

Curated by ChEMBL


Assay Description
Inhibition of BRD7 (unknown origin) by TR-FRET assay


J Med Chem 62: 7506-7525 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00673
BindingDB Entry DOI: 10.7270/Q22R3VZV
More data for this
Ligand-Target Pair
Bromodomain-containing protein 7


(Homo sapiens (Human))
BDBM50249797
PNG
(CHEMBL4059509)
Show SMILES CCc1cc2cc(NS(=O)(=O)c3ccc(cc3)C#N)ccc2n(CC)c1=O
Show InChI InChI=1S/C20H19N3O3S/c1-3-15-11-16-12-17(7-10-19(16)23(4-2)20(15)24)22-27(25,26)18-8-5-14(13-21)6-9-18/h5-12,22H,3-4H2,1-2H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



University College London

Curated by ChEMBL


Assay Description
Inhibition of human BRD7 expressed in Escherichia coli BL21 after 1 hr by BROMOscan assay


J Med Chem 60: 668-680 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01583
BindingDB Entry DOI: 10.7270/Q29K4DQ5
More data for this
Ligand-Target Pair
Bromodomain-containing protein 7


(Homo sapiens (Human))
BDBM50540508
PNG
(CHEMBL4648548)
Show SMILES CN1CCN(CC1)c1ccccc1CNc1cnn(C)c(=O)c1C
Show InChI InChI=1S/C18H25N5O/c1-14-16(13-20-22(3)18(14)24)19-12-15-6-4-5-7-17(15)23-10-8-21(2)9-11-23/h4-7,13,19H,8-12H2,1-3H3
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25n/an/an/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Binding affinity to human partial length BRD7 (L125 to R254 residues) expressed in mammalian expression system by BROMOscan assay


J Med Chem 63: 5816-5840 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00075
BindingDB Entry DOI: 10.7270/Q2MG7T12
More data for this
Ligand-Target Pair
Bromodomain-containing protein 7


(Homo sapiens (Human))
BDBM50540522
PNG
(CHEMBL4639574)
Show SMILES CCCCc1c(NCc2ccccc2N2CCN(C)CC2)cnn(C)c1=O
Show InChI InChI=1S/C21H31N5O/c1-4-5-9-18-19(16-23-25(3)21(18)27)22-15-17-8-6-7-10-20(17)26-13-11-24(2)12-14-26/h6-8,10,16,22H,4-5,9,11-15H2,1-3H3
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501n/an/an/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Binding affinity to human partial length BRD7 (L125 to R254 residues) expressed in mammalian expression system by BROMOscan assay


J Med Chem 63: 5816-5840 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00075
BindingDB Entry DOI: 10.7270/Q2MG7T12
More data for this
Ligand-Target Pair
Bromodomain-containing protein 7


(Homo sapiens (Human))
BDBM50443232
PNG
(CHEMBL3086883)
Show SMILES Cc1cc(N=Nc2ccc(cc2)S(=O)(=O)Nc2ccccn2)c(N)cc1O |w:4.3|
Show InChI InChI=1S/C18H17N5O3S/c1-12-10-16(15(19)11-17(12)24)22-21-13-5-7-14(8-6-13)27(25,26)23-18-4-2-3-9-20-18/h2-11,24H,19H2,1H3,(H,20,23)
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2.72E+3n/an/an/an/an/an/an/an/a



Icahn School of Medicine at Mount Sinai

Curated by ChEMBL


Assay Description
Displacement of fluorescein-labeled MS226 from recombinant human BRD7 after 1 hr by fluorescence anisotropy assay


J Med Chem 56: 9251-64 (2013)


Article DOI: 10.1021/jm401334s
BindingDB Entry DOI: 10.7270/Q2ZW1NCF
More data for this
Ligand-Target Pair
Bromodomain-containing protein 7


(Homo sapiens (Human))
BDBM50443233
PNG
(CHEMBL3087052)
Show SMILES Cc1cc(cc(C)c1O)N=Nc1ccc(cc1)S(=O)(=O)Nc1ccccn1 |w:9.9|
Show InChI InChI=1S/C19H18N4O3S/c1-13-11-16(12-14(2)19(13)24)22-21-15-6-8-17(9-7-15)27(25,26)23-18-5-3-4-10-20-18/h3-12,24H,1-2H3,(H,20,23)
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3.54E+3n/an/an/an/an/an/an/an/a



Icahn School of Medicine at Mount Sinai

Curated by ChEMBL


Assay Description
Displacement of fluorescein-labeled MS226 from recombinant human BRD7 after 1 hr by fluorescence anisotropy assay


J Med Chem 56: 9251-64 (2013)


Article DOI: 10.1021/jm401334s
BindingDB Entry DOI: 10.7270/Q2ZW1NCF
More data for this
Ligand-Target Pair
Bromodomain-containing protein 7


(Homo sapiens (Human))
BDBM50098305
PNG
(CHEMBL3590405)
Show SMILES Cc1cncc(c1)-c1ccc(N[C@@H]2CCNC[C@H]2OCC2CCS(=O)(=O)CC2)c2[nH]c(=O)c(C)cc12 |r|
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n/an/an/a 3.16E+3n/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Binding affinity to BRD7 in human HUT78 cells incubated for 45 mins by mass spectrometry based bromosphere chemoproteomic assay


J Med Chem 58: 6151-78 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00773
BindingDB Entry DOI: 10.7270/Q2FN17Z1
More data for this
Ligand-Target Pair
Bromodomain-containing protein 7


(Homo sapiens (Human))
BDBM50098311
PNG
(CHEMBL3590408)
Show SMILES CN1CC[C@@H](Nc2ncc(-c3cncc(C)c3)c3cc(C)c(=O)[nH]c23)[C@@H](C1)OCC1CCS(=O)(=O)CC1 |r|
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n/an/an/a 3.16E+4n/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Binding affinity to BRD7 in human HUT78 cells incubated for 45 mins by mass spectrometry based bromosphere chemoproteomic assay


J Med Chem 58: 6151-78 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00773
BindingDB Entry DOI: 10.7270/Q2FN17Z1
More data for this
Ligand-Target Pair
Bromodomain-containing protein 7


(Homo sapiens (Human))
BDBM50157607
PNG
(CHEMBL3753082 | US11773085, Compound B24)
Show SMILES CC(C)CS(=O)(=O)N[C@H]1CCC(=O)N([C@@H]1c1ccc(Cl)cc1)c1ccc2c(C)cc(=O)n(C)c2c1 |r|
Show InChI InChI=1S/C26H30ClN3O4S/c1-16(2)15-35(33,34)28-22-11-12-24(31)30(26(22)18-5-7-19(27)8-6-18)20-9-10-21-17(3)13-25(32)29(4)23(21)14-20/h5-10,13-14,16,22,26,28H,11-12,15H2,1-4H3/t22-,26+/m0/s1
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n/an/an/a 909n/an/an/an/an/a



Boehringer Ingelheim RCV GmbH& Co KG

Curated by ChEMBL


Assay Description
Inhibition of human BRD7 by VP-ITC method


J Med Chem 59: 4462-75 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01865
BindingDB Entry DOI: 10.7270/Q27H1MJZ
More data for this
Ligand-Target Pair
Bromodomain-containing protein 7


(Homo sapiens (Human))
BDBM50183449
PNG
(CHEMBL3823101 | US11773085, Compound B23)
Show SMILES COc1cc(c(OC)cc1CN(C)C)-c1cn(C)c(=O)c2cnccc12
Show InChI InChI=1S/C20H23N3O3/c1-22(2)11-13-8-19(26-5)15(9-18(13)25-4)17-12-23(3)20(24)16-10-21-7-6-14(16)17/h6-10,12H,11H2,1-5H3
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n/an/an/a 73n/an/an/an/an/a



Boehringer Ingelheim RCV GmbH& Co KG

Curated by ChEMBL


Assay Description
Binding affinity to human BRD7 by BROMOScan analysis


J Med Chem 59: 4462-75 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01865
BindingDB Entry DOI: 10.7270/Q27H1MJZ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Bromodomain-containing protein 7


(Homo sapiens (Human))
BDBM50183448
PNG
(CHEMBL3823478 | US11773085, Compound B2)
Show SMILES COc1cc(cc(OC)c1CN(C)C)-c1cn(C)c(=O)c2cnccc12
Show InChI InChI=1S/C20H23N3O3/c1-22(2)11-17-18(25-4)8-13(9-19(17)26-5)16-12-23(3)20(24)15-10-21-7-6-14(15)16/h6-10,12H,11H2,1-5H3
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n/an/an/a 0.300n/an/an/an/an/a



Boehringer Ingelheim RCV GmbH& Co KG

Curated by ChEMBL


Assay Description
Binding affinity to human BRD7 by BROMOScan analysis


J Med Chem 59: 4462-75 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01865
BindingDB Entry DOI: 10.7270/Q27H1MJZ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Bromodomain-containing protein 7


(Homo sapiens (Human))
BDBM50183449
PNG
(CHEMBL3823101 | US11773085, Compound B23)
Show SMILES COc1cc(c(OC)cc1CN(C)C)-c1cn(C)c(=O)c2cnccc12
Show InChI InChI=1S/C20H23N3O3/c1-22(2)11-13-8-19(26-5)15(9-18(13)25-4)17-12-23(3)20(24)16-10-21-7-6-14(16)17/h6-10,12H,11H2,1-5H3
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n/an/an/a 239n/an/an/an/an/a



Boehringer Ingelheim RCV GmbH& Co KG

Curated by ChEMBL


Assay Description
Binding affinity to human BRD7 expressed in Escherichia coli L21(DE3)-R3-pRARE2 cells by VP-ITC method


J Med Chem 59: 4462-75 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01865
BindingDB Entry DOI: 10.7270/Q27H1MJZ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Bromodomain-containing protein 7


(Homo sapiens (Human))
BDBM50157607
PNG
(CHEMBL3753082 | US11773085, Compound B24)
Show SMILES CC(C)CS(=O)(=O)N[C@H]1CCC(=O)N([C@@H]1c1ccc(Cl)cc1)c1ccc2c(C)cc(=O)n(C)c2c1 |r|
Show InChI InChI=1S/C26H30ClN3O4S/c1-16(2)15-35(33,34)28-22-11-12-24(31)30(26(22)18-5-7-19(27)8-6-18)20-9-10-21-17(3)13-25(32)29(4)23(21)14-20/h5-10,13-14,16,22,26,28H,11-12,15H2,1-4H3/t22-,26+/m0/s1
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n/an/an/a 909n/an/an/an/an/a



Moffitt Cancer Center

Curated by ChEMBL


Assay Description
Binding affinity to human BRD7 by ITC analysis


J Med Chem 59: 4459-61 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00550
BindingDB Entry DOI: 10.7270/Q2PK0J3N
More data for this
Ligand-Target Pair
Bromodomain-containing protein 7


(Homo sapiens (Human))
BDBM220447
PNG
(US10633379, Compound X | US9296741, 36)
Show SMILES CCS(=O)(=O)Nc1ccc(Oc2ccc(F)cc2F)c(c1)-c1cn(C)c(=O)c2[nH]ccc12
Show InChI InChI=1S/C22H19F2N3O4S/c1-3-32(29,30)26-14-5-7-19(31-20-6-4-13(23)10-18(20)24)16(11-14)17-12-27(2)22(28)21-15(17)8-9-25-21/h4-12,25-26H,3H2,1-2H3
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n/an/an/a>1.00E+3n/an/an/an/an/a



AbbVie Inc.

Curated by ChEMBL


Assay Description
The compound was tested for the inhibition of fibrinogen receptor


J Med Chem 60: 8369-8384 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00746
BindingDB Entry DOI: 10.7270/Q2251MB8
More data for this
Ligand-Target Pair
Bromodomain-containing protein 7


(Homo sapiens (Human))
BDBM50250892
PNG
(CHEMBL4061254 | US10696655, Example 63 | US1116807...)
Show SMILES CNC(=O)c1c[nH]c2c(nc(cc12)N1CCCc2cc(-c3cnn(C)c3)c(cc12)C(F)F)C(C)C
Show InChI InChI=1S/C26H28F2N6O/c1-14(2)23-24-18(20(12-30-24)26(35)29-3)10-22(32-23)34-7-5-6-15-8-17(16-11-31-33(4)13-16)19(25(27)28)9-21(15)34/h8-14,25,30H,5-7H2,1-4H3,(H,29,35)
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n/an/an/a 5.10E+3n/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Binding affinity to human BRD7 (L125 to R254) expressed in mammalian cells by BromoScan assay


J Med Chem 60: 10151-10171 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01372
BindingDB Entry DOI: 10.7270/Q27S7R65
More data for this
Ligand-Target Pair
Bromodomain-containing protein 7


(Homo sapiens (Human))
BDBM50269687
PNG
(CHEMBL4073178)
Show SMILES COc1cccc(c1)-c1cc(ncn1)N1CCC(CC1)N(C)C(=O)c1cn(CC=C)c(=O)c2[nH]ccc12
Show InChI InChI=1S/C28H30N6O3/c1-4-12-34-17-23(22-8-11-29-26(22)28(34)36)27(35)32(2)20-9-13-33(14-10-20)25-16-24(30-18-31-25)19-6-5-7-21(15-19)37-3/h4-8,11,15-18,20,29H,1,9-10,12-14H2,2-3H3
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n/an/an/a 1.10E+6n/an/an/an/an/a



Genentech Inc., 1 DNA Way, South San Francisco, California 94080, United States.

Curated by ChEMBL


Assay Description
Binding affinity to human DNA-tagged BRD7 (125 to 254 residues) expressed in mammalian expression system by BROMOscan assay


ACS Med Chem Lett 8: 737-741 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00132
BindingDB Entry DOI: 10.7270/Q2862JXN
More data for this
Ligand-Target Pair
Bromodomain-containing protein 7


(Homo sapiens (Human))
BDBM50266968
PNG
(CHEMBL4065619 | US11773085, Compound B27)
Show SMILES CC(=O)c1cc(-c2cc(ccc2C)C(=O)NC2CC2)c2ncccn12
Show InChI InChI=1S/C20H19N3O2/c1-12-4-5-14(20(25)22-15-6-7-15)10-16(12)17-11-18(13(2)24)23-9-3-8-21-19(17)23/h3-5,8-11,15H,6-7H2,1-2H3,(H,22,25)
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n/an/an/a 340n/an/an/an/an/a



H. Lee Moffitt Cancer Center and Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to BRD7 (unknown origin) by isothermal titration calorimetry


J Med Chem 60: 157-169 (2017)


Article DOI: 10.1021/acs.jmedchem.6b00923
BindingDB Entry DOI: 10.7270/Q2TM7DMZ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Bromodomain-containing protein 7


(Homo sapiens (Human))
BDBM179481
PNG
(US9675697, Cpd. No. 73)
Show SMILES COc1cc2c(cc1-c1c(C)noc1C)[nH]c1nc(C)nc(-c3ccnc4ccccc34)c21 |(-1.5,3.22,;-2.13,1.81,;-1.36,.48,;.18,.48,;.95,-.85,;.18,-2.19,;-1.36,-2.19,;-2.13,-.85,;-3.67,-.85,;-4.57,-2.1,;-4.18,-3.59,;-6.04,-1.62,;-6.04,-.08,;-4.57,.39,;-4.18,1.88,;1.21,-3.33,;2.62,-2.71,;4.03,-3.33,;5.27,-2.43,;6.68,-3.05,;5.11,-.9,;3.7,-.27,;3.31,1.22,;1.84,1.69,;1.52,3.2,;2.66,4.23,;4.13,3.75,;5.27,4.79,;6.74,4.31,;7.06,2.8,;5.91,1.77,;4.45,2.25,;2.46,-1.17,)|
Show InChI InChI=1S/C26H21N5O2/c1-13-23(14(2)33-31-13)19-11-21-18(12-22(19)32-4)24-25(28-15(3)29-26(24)30-21)17-9-10-27-20-8-6-5-7-16(17)20/h5-12H,1-4H3,(H,28,29,30)
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n/an/an/a>4.00E+3n/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Binding affinity to human partial length BRD7 (L125 to R254 residues) expressed in mammalian expression system by BROMOscan assay


J Med Chem 60: 3887-3901 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00193
BindingDB Entry DOI: 10.7270/Q28W3GWN
More data for this
Ligand-Target Pair
Bromodomain-containing protein 7


(Homo sapiens (Human))
BDBM50455480
PNG
(CHEMBL4218735)
Show SMILES CC(=O)N1[C@H](CN(Cc2ccccc2CO)c2cc(ccc12)C1=CCNCC1)C1CC1 |r,t:25|
Show InChI InChI=1S/C26H31N3O2/c1-18(31)29-24-9-8-21(19-10-12-27-13-11-19)14-25(24)28(16-26(29)20-6-7-20)15-22-4-2-3-5-23(22)17-30/h2-5,8-10,14,20,26-27,30H,6-7,11-13,15-17H2,1H3/t26-/m1/s1
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n/an/an/a<3.02E+4n/an/an/an/an/a



University of Strathclyde

Curated by ChEMBL


Assay Description
Binding affinity to human partial length DNA-tagged BRD7 expressed in mammalian expression system by BROMOscan method


J Med Chem 61: 4317-4334 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01666
BindingDB Entry DOI: 10.7270/Q27H1N6W
More data for this
Ligand-Target Pair
Bromodomain-containing protein 7


(Homo sapiens (Human))
BDBM50453949
PNG
(CHEMBL4208820 | US11247989, Example 87)
Show SMILES CNC(=O)c1ccc(cn1)-c1cc2cccc(-c3nn(C4CCOCC4)c4CCN(Cc34)C(C)=O)c2cn1
Show InChI InChI=1S/C29H30N6O3/c1-18(36)34-11-8-27-24(17-34)28(33-35(27)21-9-12-38-13-10-21)22-5-3-4-19-14-26(32-16-23(19)22)20-6-7-25(31-15-20)29(37)30-2/h3-7,14-16,21H,8-13,17H2,1-2H3,(H,30,37)
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n/an/an/a 1.80E+3n/an/an/an/an/a



WuXi AppTec Co., Ltd.

Curated by ChEMBL


Assay Description
Binding affinity to human partial length BRD7 (L125 to R254 residues) expressed in mammalian expression system by BROMOscan assay


Bioorg Med Chem Lett 28: 15-23 (2018)


Article DOI: 10.1016/j.bmcl.2017.11.025
BindingDB Entry DOI: 10.7270/Q2ZG6VVZ
More data for this
Ligand-Target Pair
Bromodomain-containing protein 7


(Homo sapiens (Human))
BDBM50366670
PNG
(CHEMBL4173488)
Show SMILES COc1cc2c(cc1-c1c(C)noc1C)[nH]c1nc(C)nc(Nc3cc(nn3C)C3CC3)c21 |(86.87,-46.33,;85.61,-45.43,;84.21,-46.07,;84.06,-47.6,;82.66,-48.24,;81.41,-47.34,;81.56,-45.82,;82.95,-45.18,;83.09,-43.65,;81.94,-42.63,;80.43,-42.97,;82.55,-41.22,;84.08,-41.36,;84.42,-42.87,;85.83,-43.48,;80.17,-48.26,;80.66,-49.73,;79.89,-51.06,;80.66,-52.39,;79.89,-53.73,;82.21,-52.4,;82.97,-51.06,;84.51,-51.06,;85.28,-52.39,;84.66,-53.8,;85.81,-54.83,;87.14,-54.06,;86.82,-52.56,;87.85,-51.41,;85.64,-56.36,;84.75,-57.61,;86.28,-57.77,;82.2,-49.71,)|
Show InChI InChI=1S/C24H25N7O2/c1-11-21(12(2)33-30-11)16-8-18-15(9-19(16)32-5)22-23(27-18)25-13(3)26-24(22)28-20-10-17(14-6-7-14)29-31(20)4/h8-10,14H,6-7H2,1-5H3,(H2,25,26,27,28)
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n/an/an/a>5.00E+3n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity to human BRD7 (L125 to R254 residues) expressed in bacterial expression system by BROMOScan assay


J Med Chem 61: 6110-6120 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00483
BindingDB Entry DOI: 10.7270/Q26M39B1
More data for this
Ligand-Target Pair
Bromodomain-containing protein 7


(Homo sapiens (Human))
BDBM50183448
PNG
(CHEMBL3823478 | US11773085, Compound B2)
Show SMILES COc1cc(cc(OC)c1CN(C)C)-c1cn(C)c(=O)c2cnccc12
Show InChI InChI=1S/C20H23N3O3/c1-22(2)11-17-18(25-4)8-13(9-19(17)26-5)16-12-23(3)20(24)15-10-21-7-6-14(15)16/h6-10,12H,11H2,1-5H3
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n/an/an/a 121n/an/an/an/an/a



Moffitt Cancer Center

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human His-tagged BRD7 (129 to 250 residues) expressed in Escherichia coli BL21 DE3 assessed as dissociation constant ...


J Med Chem 63: 3227-3237 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01980
BindingDB Entry DOI: 10.7270/Q26T0R19
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Bromodomain-containing protein 7


(Homo sapiens (Human))
BDBM50266968
PNG
(CHEMBL4065619 | US11773085, Compound B27)
Show SMILES CC(=O)c1cc(-c2cc(ccc2C)C(=O)NC2CC2)c2ncccn12
Show InChI InChI=1S/C20H19N3O2/c1-12-4-5-14(20(25)22-15-6-7-15)10-16(12)17-11-18(13(2)24)23-9-3-8-21-19(17)23/h3-5,8-11,15H,6-7H2,1-2H3,(H,22,25)
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n/an/an/a 556n/an/an/an/an/a



Moffitt Cancer Center

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human His-tagged BRD7 (129 to 250 residues) expressed in Escherichia coli BL21 DE3 assessed as dissociation constant ...


J Med Chem 63: 3227-3237 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01980
BindingDB Entry DOI: 10.7270/Q26T0R19
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Bromodomain-containing protein 7


(Homo sapiens (Human))
BDBM50026622
PNG
(CHEMBL408982)
Show SMILES CCN1\C(Sc2ccc(OC)cc12)=C\C(C)=O
Show InChI InChI=1S/C13H15NO2S/c1-4-14-11-8-10(16-3)5-6-12(11)17-13(14)7-9(2)15/h5-8H,4H2,1-3H3/b13-7-
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n/an/an/a 4.20E+3n/an/an/an/an/a



Moffitt Cancer Center

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human His-tagged BRD7 (129 to 250 residues) expressed in Escherichia coli BL21 DE3 assessed as dissociation constant ...


J Med Chem 63: 3227-3237 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01980
BindingDB Entry DOI: 10.7270/Q26T0R19
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Bromodomain-containing protein 7


(Homo sapiens (Human))
BDBM50026622
PNG
(CHEMBL408982)
Show SMILES CCN1\C(Sc2ccc(OC)cc12)=C\C(C)=O
Show InChI InChI=1S/C13H15NO2S/c1-4-14-11-8-10(16-3)5-6-12(11)17-13(14)7-9(2)15/h5-8H,4H2,1-3H3/b13-7-
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n/an/an/a 4.60E+3n/an/an/an/an/a



Moffitt Cancer Center

Curated by ChEMBL


Assay Description
Binding affinity to BRD7 (unknown origin) assessed as dissociation constant by qPCR analysis


J Med Chem 63: 3227-3237 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01980
BindingDB Entry DOI: 10.7270/Q26T0R19
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Bromodomain-containing protein 7


(Homo sapiens (Human))
BDBM50183449
PNG
(CHEMBL3823101 | US11773085, Compound B23)
Show SMILES COc1cc(c(OC)cc1CN(C)C)-c1cn(C)c(=O)c2cnccc12
Show InChI InChI=1S/C20H23N3O3/c1-22(2)11-13-8-19(26-5)15(9-18(13)25-4)17-12-23(3)20(24)16-10-21-7-6-14(16)17/h6-10,12H,11H2,1-5H3
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n/an/an/a 418n/an/an/an/an/a



Moffitt Cancer Center

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human His-tagged BRD7 (129 to 250 residues) expressed in Escherichia coli BL21 DE3 assessed as dissociation constant ...


J Med Chem 63: 3227-3237 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01980
BindingDB Entry DOI: 10.7270/Q26T0R19
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Bromodomain-containing protein 7


(Homo sapiens (Human))
BDBM50514649
PNG
(CHEMBL3990456)
Show SMILES Cn1cc(cn1)-c1[nH]c2cc(NC(=O)[C@H](N)C3CCCCC3)cc3c2c1cn[nH]c3=O |r|
Show InChI InChI=1S/C22H25N7O2/c1-29-11-13(9-25-29)20-16-10-24-28-21(30)15-7-14(8-17(27-20)18(15)16)26-22(31)19(23)12-5-3-2-4-6-12/h7-12,19,27H,2-6,23H2,1H3,(H,26,31)(H,28,30)/t19-/m1/s1
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n/an/an/a 1.10E+4n/an/an/an/an/a



Moffitt Cancer Center

Curated by ChEMBL


Assay Description
Binding affinity to BRD7 (unknown origin) assessed as dissociation constant by qPCR analysis


J Med Chem 63: 3227-3237 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01980
BindingDB Entry DOI: 10.7270/Q26T0R19
More data for this
Ligand-Target Pair
Bromodomain-containing protein 7


(Homo sapiens (Human))
BDBM50147620
PNG
(CHEMBL3769507)
Show SMILES CCn1cc(-c2cccc(c2)C(F)(F)F)c2sc(cc2c1=O)C(=N)NC1CCS(=O)(=O)CC1
Show InChI InChI=1S/C22H22F3N3O3S2/c1-2-28-12-17(13-4-3-5-14(10-13)22(23,24)25)19-16(21(28)29)11-18(32-19)20(26)27-15-6-8-33(30,31)9-7-15/h3-5,10-12,15H,2,6-9H2,1H3,(H2,26,27)
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n/an/an/a 148n/an/an/an/an/a



Moffitt Cancer Center

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human His-tagged BRD7 (129 to 250 residues) expressed in Escherichia coli BL21 DE3 assessed as dissociation constant ...


J Med Chem 63: 3227-3237 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01980
BindingDB Entry DOI: 10.7270/Q26T0R19
More data for this
Ligand-Target Pair
Bromodomain-containing protein 7


(Homo sapiens (Human))
BDBM4814
PNG
(CHEMBL535 | N-[2-(diethylamino)ethyl]-5-[(Z)-(5-fl...)
Show SMILES CCN(CC)CCNC(=O)c1c(C)[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c1C
Show InChI InChI=1S/C22H27FN4O2/c1-5-27(6-2)10-9-24-22(29)20-13(3)19(25-14(20)4)12-17-16-11-15(23)7-8-18(16)26-21(17)28/h7-8,11-12,25H,5-6,9-10H2,1-4H3,(H,24,29)(H,26,28)/b17-12-
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n/an/an/a 1.10E+4n/an/an/an/an/a



Moffitt Cancer Center

Curated by ChEMBL


Assay Description
Binding affinity to BRD7 (unknown origin) assessed as dissociation constant by qPCR analysis


J Med Chem 63: 3227-3237 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01980
BindingDB Entry DOI: 10.7270/Q26T0R19
More data for this
Ligand-Target Pair
Bromodomain-containing protein 7


(Homo sapiens (Human))
BDBM50504160
PNG
(CHEMBL3133807 | US11773085, Compound B25)
Show SMILES CCOC(=O)Nc1cc(nn2c(C)nnc12)-c1ccc(C)c(NS(C)(=O)=O)c1
Show InChI InChI=1S/C17H20N6O4S/c1-5-27-17(24)18-15-9-14(21-23-11(3)19-20-16(15)23)12-7-6-10(2)13(8-12)22-28(4,25)26/h6-9,22H,5H2,1-4H3,(H,18,24)
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n/an/an/a 392n/an/an/an/an/a



Moffitt Cancer Center

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human His-tagged BRD7 (129 to 250 residues) expressed in Escherichia coli BL21 DE3 assessed as dissociation constant ...


J Med Chem 63: 3227-3237 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01980
BindingDB Entry DOI: 10.7270/Q26T0R19
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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