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Compile Data Set for Download or QSAR

Found 379 hits Enz. Inhib. hit(s) with Target = 'Bromodomain-containing protein 3' AND taxid = 9606   
Target
(Institution)
LigandTarget
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 3


(Homo sapiens (Human))
BDBM50092310
PNG
(CHEMBL3581661)
Show SMILES COc1cc2c(cc1-c1c(C)noc1C)[nH]c1ccnc(-c3c(C)[nH]nc3C3CC3)c21
Show InChI InChI=1S/C24H23N5O2/c1-11-21(23(28-27-11)14-5-6-14)24-22-15-10-19(30-4)16(20-12(2)29-31-13(20)3)9-18(15)26-17(22)7-8-25-24/h7-10,14,26H,5-6H2,1-4H3,(H,27,28)
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3.20n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Displacement of FAM-labeled ZBA248 from BRD3 BD2 (306 to 417 amino acid residues) (unknown origin) expressed in Rosetta2 DE3 cells after 30 mins by f...


J Med Chem 58: 4927-39 (2015)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 3


(Homo sapiens (Human))
BDBM50092312
PNG
(BIRABRESIB | Birabresib | MK-8628 | OTX-015)
Show SMILES Cc1sc-2c(c1C)C(=N[C@@H](CC(=O)Nc1ccc(O)cc1)c1nnc(C)n-21)c1ccc(Cl)cc1
Show InChI InChI=1/C25H22ClN5O2S/c1-13-14(2)34-25-22(13)23(16-4-6-17(26)7-5-16)28-20(24-30-29-15(3)31(24)25)12-21(33)27-18-8-10-19(32)11-9-18/h4-11,20,32H,12H2,1-3H3,(H,27,33)/t20-/s2
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4n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Displacement of FAM-labeled ZBA248 from BRD3 BD2 (306 to 417 amino acid residues) (unknown origin) expressed in Rosetta2 DE3 cells after 30 mins by f...


J Med Chem 58: 4927-39 (2015)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 3


(Homo sapiens (Human))
BDBM50092341
PNG
(CHEMBL3581660)
Show SMILES CCc1n[nH]c(CC)c1-c1nccc2[nH]c3cc(-c4c(C)noc4C)c(OC)cc3c12
Show InChI InChI=1S/C24H25N5O2/c1-6-16-23(17(7-2)28-27-16)24-22-14-11-20(30-5)15(21-12(3)29-31-13(21)4)10-19(14)26-18(22)8-9-25-24/h8-11,26H,6-7H2,1-5H3,(H,27,28)
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4.20n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Displacement of FAM-labeled ZBA248 from BRD3 BD2 (306 to 417 amino acid residues) (unknown origin) expressed in Rosetta2 DE3 cells after 30 mins by f...


J Med Chem 58: 4927-39 (2015)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 3


(Homo sapiens (Human))
BDBM50365262
PNG
( (S)-JQ1 (1) | CHEMBL1957266 | JQ1 | US9320741, (S...)
Show SMILES Cc1nnc2[C@H](CC(=O)OC(C)(C)C)N=C(c3c(C)c(C)sc3-n12)c1ccc(Cl)cc1
Show InChI InChI=1S/C23H25ClN4O2S/c1-12-13(2)31-22-19(12)20(15-7-9-16(24)10-8-15)25-17(11-18(29)30-23(4,5)6)21-27-26-14(3)28(21)22/h7-10,17H,11H2,1-6H3/t17-/m0/s1
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6.60n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Displacement of FAM-labeled ZBA248 from BRD3 BD1 (24 to 144 amino acid residues) (unknown origin) expressed in Rosetta2 DE3 cells after 30 mins by fl...


J Med Chem 58: 4927-39 (2015)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 3


(Homo sapiens (Human))
BDBM50380682
PNG
(CHEMBL2017291 | I-BET151 (16))
Show SMILES COc1cc2c3n([C@H](C)c4ccccn4)c(=O)[nH]c3cnc2cc1-c1c(C)noc1C
Show InChI InChI=1S/C23H21N5O3/c1-12-21(14(3)31-27-12)16-9-18-15(10-20(16)30-4)22-19(11-25-18)26-23(29)28(22)13(2)17-7-5-6-8-24-17/h5-11,13H,1-4H3,(H,26,29)/t13-/m1/s1
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7.20n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Displacement of FAM-labeled ZBA248 from BRD3 BD1 (24 to 144 amino acid residues) (unknown origin) expressed in Rosetta2 DE3 cells after 30 mins by fl...


J Med Chem 58: 4927-39 (2015)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 3


(Homo sapiens (Human))
BDBM50092310
PNG
(CHEMBL3581661)
Show SMILES COc1cc2c(cc1-c1c(C)noc1C)[nH]c1ccnc(-c3c(C)[nH]nc3C3CC3)c21
Show InChI InChI=1S/C24H23N5O2/c1-11-21(23(28-27-11)14-5-6-14)24-22-15-10-19(30-4)16(20-12(2)29-31-13(20)3)9-18(15)26-17(22)7-8-25-24/h7-10,14,26H,5-6H2,1-4H3,(H,27,28)
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7.30n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Displacement of FAM-labeled ZBA248 from BRD3 BD1 (24 to 144 amino acid residues) (unknown origin) expressed in Rosetta2 DE3 cells after 30 mins by fl...


J Med Chem 58: 4927-39 (2015)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 3


(Homo sapiens (Human))
BDBM50365262
PNG
( (S)-JQ1 (1) | CHEMBL1957266 | JQ1 | US9320741, (S...)
Show SMILES Cc1nnc2[C@H](CC(=O)OC(C)(C)C)N=C(c3c(C)c(C)sc3-n12)c1ccc(Cl)cc1
Show InChI InChI=1S/C23H25ClN4O2S/c1-12-13(2)31-22-19(12)20(15-7-9-16(24)10-8-15)25-17(11-18(29)30-23(4,5)6)21-27-26-14(3)28(21)22/h7-10,17H,11H2,1-6H3/t17-/m0/s1
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8.90n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Displacement of FAM-labeled ZBA248 from BRD3 BD2 (306 to 417 amino acid residues) (unknown origin) expressed in Rosetta2 DE3 cells after 30 mins by f...


J Med Chem 58: 4927-39 (2015)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 3


(Homo sapiens (Human))
BDBM50092311
PNG
(CHEMBL3581662)
Show SMILES CCc1[nH]nc(c1-c1nccc2[nH]c3cc(-c4c(C)noc4C)c(OC)cc3c12)-c1ccccc1
Show InChI InChI=1S/C28H25N5O2/c1-5-20-26(27(32-31-20)17-9-7-6-8-10-17)28-25-18-14-23(34-4)19(24-15(2)33-35-16(24)3)13-22(18)30-21(25)11-12-29-28/h6-14,30H,5H2,1-4H3,(H,31,32)
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9.40n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Displacement of FAM-labeled ZBA248 from BRD3 BD2 (306 to 417 amino acid residues) (unknown origin) expressed in Rosetta2 DE3 cells after 30 mins by f...


J Med Chem 58: 4927-39 (2015)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 3


(Homo sapiens (Human))
BDBM50092311
PNG
(CHEMBL3581662)
Show SMILES CCc1[nH]nc(c1-c1nccc2[nH]c3cc(-c4c(C)noc4C)c(OC)cc3c12)-c1ccccc1
Show InChI InChI=1S/C28H25N5O2/c1-5-20-26(27(32-31-20)17-9-7-6-8-10-17)28-25-18-14-23(34-4)19(24-15(2)33-35-16(24)3)13-22(18)30-21(25)11-12-29-28/h6-14,30H,5H2,1-4H3,(H,31,32)
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10n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Displacement of FAM-labeled ZBA248 from BRD3 BD1 (24 to 144 amino acid residues) (unknown origin) expressed in Rosetta2 DE3 cells after 30 mins by fl...


J Med Chem 58: 4927-39 (2015)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 3


(Homo sapiens (Human))
BDBM50092312
PNG
(BIRABRESIB | Birabresib | MK-8628 | OTX-015)
Show SMILES Cc1sc-2c(c1C)C(=N[C@@H](CC(=O)Nc1ccc(O)cc1)c1nnc(C)n-21)c1ccc(Cl)cc1
Show InChI InChI=1/C25H22ClN5O2S/c1-13-14(2)34-25-22(13)23(16-4-6-17(26)7-5-16)28-20(24-30-29-15(3)31(24)25)12-21(33)27-18-8-10-19(32)11-9-18/h4-11,20,32H,12H2,1-3H3,(H,27,33)/t20-/s2
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11n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Displacement of FAM-labeled ZBA248 from BRD3 BD1 (24 to 144 amino acid residues) (unknown origin) expressed in Rosetta2 DE3 cells after 30 mins by fl...


J Med Chem 58: 4927-39 (2015)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 3


(Homo sapiens (Human))
BDBM50092341
PNG
(CHEMBL3581660)
Show SMILES CCc1n[nH]c(CC)c1-c1nccc2[nH]c3cc(-c4c(C)noc4C)c(OC)cc3c12
Show InChI InChI=1S/C24H25N5O2/c1-6-16-23(17(7-2)28-27-16)24-22-14-11-20(30-5)15(21-12(3)29-31-13(21)4)10-19(14)26-18(22)8-9-25-24/h8-11,26H,6-7H2,1-5H3,(H,27,28)
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13n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Displacement of FAM-labeled ZBA248 from BRD3 BD1 (24 to 144 amino acid residues) (unknown origin) expressed in Rosetta2 DE3 cells after 30 mins by fl...


J Med Chem 58: 4927-39 (2015)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 3


(Homo sapiens (Human))
BDBM50380682
PNG
(CHEMBL2017291 | I-BET151 (16))
Show SMILES COc1cc2c3n([C@H](C)c4ccccn4)c(=O)[nH]c3cnc2cc1-c1c(C)noc1C
Show InChI InChI=1S/C23H21N5O3/c1-12-21(14(3)31-27-12)16-9-18-15(10-20(16)30-4)22-19(11-25-18)26-23(29)28(22)13(2)17-7-5-6-8-24-17/h5-11,13H,1-4H3,(H,26,29)/t13-/m1/s1
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22n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Displacement of FAM-labeled ZBA248 from BRD3 BD2 (306 to 417 amino acid residues) (unknown origin) expressed in Rosetta2 DE3 cells after 30 mins by f...


J Med Chem 58: 4927-39 (2015)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 3


(Homo sapiens (Human))
BDBM50365463
PNG
(CHEMBL1232461)
Show SMILES CCNC(=O)C[C@@H]1N=C(c2ccc(Cl)cc2)c2cc(OC)ccc2-n2c(C)nnc12
Show InChI InChI=1S/C22H22ClN5O2/c1-4-24-20(29)12-18-22-27-26-13(2)28(22)19-10-9-16(30-3)11-17(19)21(25-18)14-5-7-15(23)8-6-14/h5-11,18H,4,12H2,1-3H3,(H,24,29)/t18-/m0/s1
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30n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Displacement of FAM-labeled ZBA248 from BRD3 BD2 (306 to 417 amino acid residues) (unknown origin) expressed in Rosetta2 DE3 cells after 30 mins by f...


J Med Chem 58: 4927-39 (2015)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 3


(Homo sapiens (Human))
BDBM50365463
PNG
(CHEMBL1232461)
Show SMILES CCNC(=O)C[C@@H]1N=C(c2ccc(Cl)cc2)c2cc(OC)ccc2-n2c(C)nnc12
Show InChI InChI=1S/C22H22ClN5O2/c1-4-24-20(29)12-18-22-27-26-13(2)28(22)19-10-9-16(30-3)11-17(19)21(25-18)14-5-7-15(23)8-6-14/h5-11,18H,4,12H2,1-3H3,(H,24,29)/t18-/m0/s1
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54n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Displacement of FAM-labeled ZBA248 from BRD3 BD1 (24 to 144 amino acid residues) (unknown origin) expressed in Rosetta2 DE3 cells after 30 mins by fl...


J Med Chem 58: 4927-39 (2015)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 3


(Homo sapiens (Human))
BDBM50443232
PNG
(CHEMBL3086883)
Show SMILES Cc1cc(N=Nc2ccc(cc2)S(=O)(=O)Nc2ccccn2)c(N)cc1O
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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100n/an/an/an/an/an/an/an/a



Icahn School of Medicine at Mount Sinai

Curated by ChEMBL


Assay Description
Displacement of fluorescein-labeled MS574 from recombinant human BRD3 BrD1 after 1 hr by fluorescence anisotropy assay


J Med Chem 56: 9251-64 (2013)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 3


(Homo sapiens (Human))
BDBM50443232
PNG
(CHEMBL3086883)
Show SMILES Cc1cc(N=Nc2ccc(cc2)S(=O)(=O)Nc2ccccn2)c(N)cc1O
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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140n/an/an/an/an/an/an/an/a



Icahn School of Medicine at Mount Sinai

Curated by ChEMBL


Assay Description
Displacement of fluorescein-labeled MS574 from recombinant human BRD3 BrD2 after 1 hr by fluorescence anisotropy assay


J Med Chem 56: 9251-64 (2013)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 3


(Homo sapiens (Human))
BDBM50443231
PNG
(CHEMBL3086884)
Show SMILES Cc1cc(N=Nc2ccc(cc2)S(=O)(=O)Nc2ccccn2)c(N)c(C)c1O
Show InChI InChI=1S/C19H19N5O3S/c1-12-11-16(18(20)13(2)19(12)25)23-22-14-6-8-15(9-7-14)28(26,27)24-17-5-3-4-10-21-17/h3-11,25H,20H2,1-2H3,(H,21,24)
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220n/an/an/an/an/an/an/an/a



Icahn School of Medicine at Mount Sinai

Curated by ChEMBL


Assay Description
Displacement of fluorescein-labeled MS574 from recombinant human BRD3 BrD2 after 1 hr by fluorescence anisotropy assay


J Med Chem 56: 9251-64 (2013)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 3


(Homo sapiens (Human))
BDBM50443230
PNG
(CHEMBL3086885)
Show SMILES Cc1cc(N=Nc2ccc(cc2)S(=O)(=O)Nc2ccccn2)c(N)c(Cl)c1O
Show InChI InChI=1S/C18H16ClN5O3S/c1-11-10-14(17(20)16(19)18(11)25)23-22-12-5-7-13(8-6-12)28(26,27)24-15-4-2-3-9-21-15/h2-10,25H,20H2,1H3,(H,21,24)
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240n/an/an/an/an/an/an/an/a



Icahn School of Medicine at Mount Sinai

Curated by ChEMBL


Assay Description
Displacement of fluorescein-labeled MS574 from recombinant human BRD3 BrD1 after 1 hr by fluorescence anisotropy assay


J Med Chem 56: 9251-64 (2013)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 3


(Homo sapiens (Human))
BDBM50443231
PNG
(CHEMBL3086884)
Show SMILES Cc1cc(N=Nc2ccc(cc2)S(=O)(=O)Nc2ccccn2)c(N)c(C)c1O
Show InChI InChI=1S/C19H19N5O3S/c1-12-11-16(18(20)13(2)19(12)25)23-22-14-6-8-15(9-7-14)28(26,27)24-17-5-3-4-10-21-17/h3-11,25H,20H2,1-2H3,(H,21,24)
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290n/an/an/an/an/an/an/an/a



Icahn School of Medicine at Mount Sinai

Curated by ChEMBL


Assay Description
Displacement of fluorescein-labeled MS574 from recombinant human BRD3 BrD1 after 1 hr by fluorescence anisotropy assay


J Med Chem 56: 9251-64 (2013)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 3


(Homo sapiens (Human))
BDBM50443230
PNG
(CHEMBL3086885)
Show SMILES Cc1cc(N=Nc2ccc(cc2)S(=O)(=O)Nc2ccccn2)c(N)c(Cl)c1O
Show InChI InChI=1S/C18H16ClN5O3S/c1-11-10-14(17(20)16(19)18(11)25)23-22-12-5-7-13(8-6-12)28(26,27)24-15-4-2-3-9-21-15/h2-10,25H,20H2,1H3,(H,21,24)
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320n/an/an/an/an/an/an/an/a



Icahn School of Medicine at Mount Sinai

Curated by ChEMBL


Assay Description
Displacement of fluorescein-labeled MS574 from recombinant human BRD3 BrD2 after 1 hr by fluorescence anisotropy assay


J Med Chem 56: 9251-64 (2013)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 3


(Homo sapiens (Human))
BDBM50443233
PNG
(CHEMBL3087052)
Show SMILES Cc1cc(cc(C)c1O)N=Nc1ccc(cc1)S(=O)(=O)Nc1ccccn1
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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1.64E+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 MS574 from recombinant human BRD3 BrD1 after 1 hr by fluorescence anisotropy assay


J Med Chem 56: 9251-64 (2013)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 3


(Homo sapiens (Human))
BDBM50443233
PNG
(CHEMBL3087052)
Show SMILES Cc1cc(cc(C)c1O)N=Nc1ccc(cc1)S(=O)(=O)Nc1ccccn1
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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2.48E+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 MS574 from recombinant human BRD3 BrD2 after 1 hr by fluorescence anisotropy assay


J Med Chem 56: 9251-64 (2013)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 3


(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
Show InChI InChI=1/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+/s2
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n/an/a 0.251n/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Binding affinity to full-length BRD4 short isoform (unknown origin) by BROMOscan assay


J Med Chem 57: 8111-31 (2014)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 3


(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
Show InChI InChI=1/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+/s2
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n/an/a 0.631n/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of human BRD3 bromodomain 1 by BROMOscan assay


J Med Chem 57: 8111-31 (2014)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 3


(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
Show InChI InChI=1/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+/s2
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n/an/a 2n/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of human BRD3 bromodomain 2 by BROMOscan assay


J Med Chem 57: 8111-31 (2014)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 3


(Homo sapiens (Human))
BDBM150062
PNG
(US8975417, 122)
Show SMILES Cc1nn(C2CC2)c2C(=O)N([C@@H](c12)c1ccc(Cl)cc1)c1cc(C)c2nnc(C)n2n1
Show InChI InChI=1/C22H20ClN7O/c1-11-10-17(27-29-13(3)24-25-21(11)29)28-19(14-4-6-15(23)7-5-14)18-12(2)26-30(16-8-9-16)20(18)22(28)31/h4-7,10,16,19H,8-9H2,1-3H3/t19-/s2
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n/an/a<11n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
All assays were performed in 384-well microtiter plates. Each assay plate contained 8-point serial dilutions for 40 test compounds, plus 16 high- and...


US Patent US8975417 (2015)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 3


(Homo sapiens (Human))
BDBM150102
PNG
(US8975417, 170)
Show SMILES CCn1nc(C)c2C(N(C(=O)c12)c1cc(C)c(=O)n(C)c1)c1ccc(Cl)cc1F
Show InChI InChI=1/C21H20ClFN4O2/c1-5-26-19-17(12(3)24-26)18(15-7-6-13(22)9-16(15)23)27(21(19)29)14-8-11(2)20(28)25(4)10-14/h6-10,18H,5H2,1-4H3
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n/an/a 13n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
All assays were performed in 384-well microtiter plates. Each assay plate contained 8-point serial dilutions for 40 test compounds, plus 16 high- and...


US Patent US8975417 (2015)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 3


(Homo sapiens (Human))
BDBM150133
PNG
(US8975417, 166)
Show SMILES Cc1nnc2c(C)cc(cn12)N1[C@@H](c2c(CO)nn(C3CC3)c2C1=O)c1ccc(Cl)cc1
Show InChI InChI=1/C23H21ClN6O2/c1-12-9-17(10-28-13(2)25-26-22(12)28)29-20(14-3-5-15(24)6-4-14)19-18(11-31)27-30(16-7-8-16)21(19)23(29)32/h3-6,9-10,16,20,31H,7-8,11H2,1-2H3/t20-/s2
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n/an/a 13n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
All assays were performed in 384-well microtiter plates. Each assay plate contained 8-point serial dilutions for 40 test compounds, plus 16 high- and...


US Patent US8975417 (2015)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 3


(Homo sapiens (Human))
BDBM150131
PNG
(US8975417, 164)
Show SMILES Cc1nnc2c(C)cc(cn12)N1[C@@H](c2c(nn(C)c2C1=O)C1CC1)c1ccc(Cl)cc1
Show InChI InChI=1/C23H21ClN6O/c1-12-10-17(11-29-13(2)25-26-22(12)29)30-20(15-6-8-16(24)9-7-15)18-19(14-4-5-14)27-28(3)21(18)23(30)31/h6-11,14,20H,4-5H2,1-3H3/t20-/s2
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n/an/a 13n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
All assays were performed in 384-well microtiter plates. Each assay plate contained 8-point serial dilutions for 40 test compounds, plus 16 high- and...


US Patent US8975417 (2015)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 3


(Homo sapiens (Human))
BDBM150047
PNG
(US8975417, 107)
Show SMILES CCc1nn(C2CC2)c2C(=O)N([C@@H](c12)c1ccc(Cl)cc1)c1cc(C)c2nnc(C)n2c1
Show InChI InChI=1/C24H23ClN6O/c1-4-19-20-21(15-5-7-16(25)8-6-15)30(24(32)22(20)31(28-19)17-9-10-17)18-11-13(2)23-27-26-14(3)29(23)12-18/h5-8,11-12,17,21H,4,9-10H2,1-3H3/t21-/s2
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n/an/a 13n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
All assays were performed in 384-well microtiter plates. Each assay plate contained 8-point serial dilutions for 40 test compounds, plus 16 high- and...


US Patent US8975417 (2015)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 3


(Homo sapiens (Human))
BDBM150050
PNG
(US8975417, 110)
Show SMILES Cc1nn(C2CC2)c2C(=O)N(C(c12)c1ccc(Cl)cc1)c1cc(C)c2nnn(C)c2n1
Show InChI InChI=1/C22H20ClN7O/c1-11-10-16(24-21-18(11)25-27-28(21)3)29-19(13-4-6-14(23)7-5-13)17-12(2)26-30(15-8-9-15)20(17)22(29)31/h4-7,10,15,19H,8-9H2,1-3H3
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n/an/a 14n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
All assays were performed in 384-well microtiter plates. Each assay plate contained 8-point serial dilutions for 40 test compounds, plus 16 high- and...


US Patent US8975417 (2015)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 3


(Homo sapiens (Human))
BDBM150044
PNG
(US8975417, 104)
Show SMILES CC(C)n1nc(C)c2[C@H](N(C(=O)c12)c1cc(C)c(=O)n(C)c1)c1ccc(Cl)cc1
Show InChI InChI=1/C22H23ClN4O2/c1-12(2)27-20-18(14(4)24-27)19(15-6-8-16(23)9-7-15)26(22(20)29)17-10-13(3)21(28)25(5)11-17/h6-12,19H,1-5H3/t19-/s2
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n/an/a 15n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
All assays were performed in 384-well microtiter plates. Each assay plate contained 8-point serial dilutions for 40 test compounds, plus 16 high- and...


US Patent US8975417 (2015)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 3


(Homo sapiens (Human))
BDBM150127
PNG
(US8975417, 195)
Show SMILES Cc1nn(C2CC2)c2C(=O)N(C(c12)c1ccc(Cl)cc1)c1cc(C)c2nnc(C(F)F)n2n1
Show InChI InChI=1/C22H18ClF2N7O/c1-10-9-15(29-32-20(10)26-27-21(32)19(24)25)30-17(12-3-5-13(23)6-4-12)16-11(2)28-31(14-7-8-14)18(16)22(30)33/h3-6,9,14,17,19H,7-8H2,1-2H3
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n/an/a 16n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
All assays were performed in 384-well microtiter plates. Each assay plate contained 8-point serial dilutions for 40 test compounds, plus 16 high- and...


US Patent US8975417 (2015)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 3


(Homo sapiens (Human))
BDBM150028
PNG
(US8975417, 85)
Show SMILES Cc1nn(C2CC2)c2C(=O)N(C(c12)c1ccc(Cl)cc1)c1cc(C)c2nnn(C)c2c1
Show InChI InChI=1/C23H21ClN6O/c1-12-10-17(11-18-20(12)25-27-28(18)3)29-21(14-4-6-15(24)7-5-14)19-13(2)26-30(16-8-9-16)22(19)23(29)31/h4-7,10-11,16,21H,8-9H2,1-3H3
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n/an/a 16n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
All assays were performed in 384-well microtiter plates. Each assay plate contained 8-point serial dilutions for 40 test compounds, plus 16 high- and...


US Patent US8975417 (2015)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 3


(Homo sapiens (Human))
BDBM150059
PNG
(US8975417, 119)
Show SMILES Cc1nn(C2CC2)c2C(=O)N([C@@H](c12)c1ccc(Cl)cc1)c1cc(C)c2nnc(C)n2c1
Show InChI InChI=1/C23H21ClN6O/c1-12-10-18(11-28-14(3)25-26-22(12)28)29-20(15-4-6-16(24)7-5-15)19-13(2)27-30(17-8-9-17)21(19)23(29)31/h4-7,10-11,17,20H,8-9H2,1-3H3/t20-/s2
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n/an/a 17n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
All assays were performed in 384-well microtiter plates. Each assay plate contained 8-point serial dilutions for 40 test compounds, plus 16 high- and...


US Patent US8975417 (2015)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 3


(Homo sapiens (Human))
BDBM149993
PNG
(US8975417, 49)
Show SMILES Cc1nn(C2CC2)c2C(=O)N([C@@H](c12)c1ccc(Cl)cc1)c1cc(C)c(=O)n(C)c1
Show InChI InChI=1/C22H21ClN4O2/c1-12-10-17(11-25(3)21(12)28)26-19(14-4-6-15(23)7-5-14)18-13(2)24-27(16-8-9-16)20(18)22(26)29/h4-7,10-11,16,19H,8-9H2,1-3H3/t19-/s2
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Novartis AG

US Patent


Assay Description
All assays were performed in 384-well microtiter plates. Each assay plate contained 8-point serial dilutions for 40 test compounds, plus 16 high- and...


US Patent US8975417 (2015)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 3


(Homo sapiens (Human))
BDBM150130
PNG
(US8975417, 163)
Show SMILES COCc1nn(C2CC2)c2C(=O)N([C@@H](c12)c1ccc(Cl)cc1)c1cc(N)c2nnc(C)n2c1
Show InChI InChI=1/C23H22ClN7O2/c1-12-26-27-22-17(25)9-16(10-29(12)22)30-20(13-3-5-14(24)6-4-13)19-18(11-33-2)28-31(15-7-8-15)21(19)23(30)32/h3-6,9-10,15,20H,7-8,11,25H2,1-2H3/t20-/s2
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n/an/a 20n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
All assays were performed in 384-well microtiter plates. Each assay plate contained 8-point serial dilutions for 40 test compounds, plus 16 high- and...


US Patent US8975417 (2015)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 3


(Homo sapiens (Human))
BDBM149995
PNG
(US8975417, 51)
Show SMILES Cc1nn(C2CC2)c2C(=O)N([C@@H](c12)c1ccc(Cl)cc1)c1cc(Cl)c(=O)n(C)c1
Show InChI InChI=1/C21H18Cl2N4O2/c1-11-17-18(12-3-5-13(22)6-4-12)26(15-9-16(23)20(28)25(2)10-15)21(29)19(17)27(24-11)14-7-8-14/h3-6,9-10,14,18H,7-8H2,1-2H3/t18-/s2
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n/an/a 21n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
All assays were performed in 384-well microtiter plates. Each assay plate contained 8-point serial dilutions for 40 test compounds, plus 16 high- and...


US Patent US8975417 (2015)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 3


(Homo sapiens (Human))
BDBM150132
PNG
(US8975417, 165)
Show SMILES Cc1n[nH]c2C(=O)N([C@@H](c12)c1ccc(Cl)cc1)c1cc(C)c2nnc(C)n2c1
Show InChI InChI=1/C20H17ClN6O/c1-10-8-15(9-26-12(3)23-25-19(10)26)27-18(13-4-6-14(21)7-5-13)16-11(2)22-24-17(16)20(27)28/h4-9,18H,1-3H3,(H,22,24)/t18-/s2
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n/an/a 23n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
All assays were performed in 384-well microtiter plates. Each assay plate contained 8-point serial dilutions for 40 test compounds, plus 16 high- and...


US Patent US8975417 (2015)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 3


(Homo sapiens (Human))
BDBM150129
PNG
(US8975417, 161)
Show SMILES CNc1cc(nn2c(C)nnc12)N1[C@@H](c2c(C)nn(C3CC3)c2C1=O)c1ccc(Cl)cc1
Show InChI InChI=1/C22H21ClN8O/c1-11-18-19(13-4-6-14(23)7-5-13)29(22(32)20(18)31(27-11)15-8-9-15)17-10-16(24-3)21-26-25-12(2)30(21)28-17/h4-7,10,15,19,24H,8-9H2,1-3H3/t19-/s2
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n/an/a 24n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
All assays were performed in 384-well microtiter plates. Each assay plate contained 8-point serial dilutions for 40 test compounds, plus 16 high- and...


US Patent US8975417 (2015)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 3


(Homo sapiens (Human))
BDBM150051
PNG
(US8975417, 111)
Show SMILES COc1ncccc1-n1nc(C)c2C(N(C(=O)c12)c1cc(C)c2nnc(C)n2n1)c1ccc(Cl)cc1
Show InChI InChI=1/C25H21ClN8O2/c1-13-12-19(31-33-15(3)28-29-23(13)33)32-21(16-7-9-17(26)10-8-16)20-14(2)30-34(22(20)25(32)35)18-6-5-11-27-24(18)36-4/h5-12,21H,1-4H3
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n/an/a 24n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
All assays were performed in 384-well microtiter plates. Each assay plate contained 8-point serial dilutions for 40 test compounds, plus 16 high- and...


US Patent US8975417 (2015)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 3


(Homo sapiens (Human))
BDBM150122
PNG
(US8975417, 190)
Show SMILES Cc1nn(C2CC2)c2C(=O)N([C@@H](c12)c1ccc(Cl)cc1F)c1cc(C)c2nnc(C)n2c1
Show InChI InChI=1/C23H20ClFN6O/c1-11-8-16(10-29-13(3)26-27-22(11)29)30-20(17-7-4-14(24)9-18(17)25)19-12(2)28-31(15-5-6-15)21(19)23(30)32/h4,7-10,15,20H,5-6H2,1-3H3/t20-/s2
PDB

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n/an/a 25n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
All assays were performed in 384-well microtiter plates. Each assay plate contained 8-point serial dilutions for 40 test compounds, plus 16 high- and...


US Patent US8975417 (2015)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 3


(Homo sapiens (Human))
BDBM150040
PNG
(US8975417, 100)
Show SMILES COc1ncc(c(OC)n1)-n1nc(C)c2[C@H](N(C(=O)c12)c1cc(C)c(=O)n(C)c1)c1ccc(Cl)cc1
Show InChI InChI=1/C25H23ClN6O4/c1-13-10-17(12-30(3)23(13)33)31-20(15-6-8-16(26)9-7-15)19-14(2)29-32(21(19)24(31)34)18-11-27-25(36-5)28-22(18)35-4/h6-12,20H,1-5H3/t20-/s2
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n/an/a 27n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
All assays were performed in 384-well microtiter plates. Each assay plate contained 8-point serial dilutions for 40 test compounds, plus 16 high- and...


US Patent US8975417 (2015)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 3


(Homo sapiens (Human))
BDBM150049
PNG
(US8975417, 109)
Show SMILES COc1ncccc1-n1nc(C)c2C(N(C(=O)c12)c1cc(C)c2nnn(C)c2n1)c1ccc(Cl)cc1
Show InChI InChI=1/C25H21ClN8O2/c1-13-12-18(28-23-20(13)29-31-32(23)3)33-21(15-7-9-16(26)10-8-15)19-14(2)30-34(22(19)25(33)35)17-6-5-11-27-24(17)36-4/h5-12,21H,1-4H3
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Novartis AG

US Patent


Assay Description
All assays were performed in 384-well microtiter plates. Each assay plate contained 8-point serial dilutions for 40 test compounds, plus 16 high- and...


US Patent US8975417 (2015)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 3


(Homo sapiens (Human))
BDBM150033
PNG
(US8975417, 92)
Show SMILES Cc1nn(C2CC2)c2C(=O)N(C(c12)c1ccc(Cl)cc1)c1cc(C)c2nnc(C)n2c1
Show InChI InChI=1/C23H21ClN6O/c1-12-10-18(11-28-14(3)25-26-22(12)28)29-20(15-4-6-16(24)7-5-15)19-13(2)27-30(17-8-9-17)21(19)23(29)31/h4-7,10-11,17,20H,8-9H2,1-3H3
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n/an/a 27n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
All assays were performed in 384-well microtiter plates. Each assay plate contained 8-point serial dilutions for 40 test compounds, plus 16 high- and...


US Patent US8975417 (2015)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 3


(Homo sapiens (Human))
BDBM150011
PNG
(US8975417, 67)
Show SMILES COc1ncc(c(OC)n1)-n1nc2C(=O)N(C(c2c1C(C)C)c1ccc(Cl)cc1)c1cc(C)c2nnc(C)n2c1
Show InChI InChI=1/C28H27ClN8O3/c1-14(2)23-21-22(34-37(23)20-12-30-28(40-6)31-26(20)39-5)27(38)36(24(21)17-7-9-18(29)10-8-17)19-11-15(3)25-33-32-16(4)35(25)13-19/h7-14,24H,1-6H3
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n/an/a 28n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
All assays were performed in 384-well microtiter plates. Each assay plate contained 8-point serial dilutions for 40 test compounds, plus 16 high- and...


US Patent US8975417 (2015)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 3


(Homo sapiens (Human))
BDBM150013
PNG
(US8975417, 69)
Show SMILES CCc1nn(C2CC2)c2C(=O)N(C(c12)c1ccc(Cl)cc1)c1cc(C)c(=O)n(C)c1
Show InChI InChI=1/C23H23ClN4O2/c1-4-18-19-20(14-5-7-15(24)8-6-14)27(17-11-13(2)22(29)26(3)12-17)23(30)21(19)28(25-18)16-9-10-16/h5-8,11-12,16,20H,4,9-10H2,1-3H3
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n/an/a 28n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
All assays were performed in 384-well microtiter plates. Each assay plate contained 8-point serial dilutions for 40 test compounds, plus 16 high- and...


US Patent US8975417 (2015)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 3


(Homo sapiens (Human))
BDBM150032
PNG
(US8975417, 90)
Show SMILES Cc1nn(-c2ccnn2C)c2C(=O)N(C(c12)c1ccc(Cl)cc1)c1cc(C)c2nnc(C)n2c1
Show InChI InChI=1/C24H21ClN8O/c1-13-11-18(12-31-15(3)27-28-23(13)31)32-21(16-5-7-17(25)8-6-16)20-14(2)29-33(22(20)24(32)34)19-9-10-26-30(19)4/h5-12,21H,1-4H3
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n/an/a 28n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
All assays were performed in 384-well microtiter plates. Each assay plate contained 8-point serial dilutions for 40 test compounds, plus 16 high- and...


US Patent US8975417 (2015)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 3


(Homo sapiens (Human))
BDBM150035
PNG
(US8975417, 94)
Show SMILES Cc1nn(C2CCC2)c2C(=O)N(C(c12)c1ccc(Cl)cc1)c1cc(C)c(=O)n(C)c1
Show InChI InChI=1/C23H23ClN4O2/c1-13-11-18(12-26(3)22(13)29)27-20(15-7-9-16(24)10-8-15)19-14(2)25-28(17-5-4-6-17)21(19)23(27)30/h7-12,17,20H,4-6H2,1-3H3
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n/an/a 28n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
All assays were performed in 384-well microtiter plates. Each assay plate contained 8-point serial dilutions for 40 test compounds, plus 16 high- and...


US Patent US8975417 (2015)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 3


(Homo sapiens (Human))
BDBM50365264
PNG
(CHEMBL1738926)
Show SMILES Cc1nnc2[C@H](NC(=O)OCc3ccccc3)N=C(c3ccccc3)c3ccccc3-n12
Show InChI InChI=1S/C25H21N5O2/c1-17-28-29-24-23(27-25(31)32-16-18-10-4-2-5-11-18)26-22(19-12-6-3-7-13-19)20-14-8-9-15-21(20)30(17)24/h2-15,23H,16H2,1H3,(H,27,31)/t23-/m0/s1
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Article
PubMed
n/an/a 28.4n/an/an/an/an/an/a



Japan Science and Technology Agency

Curated by ChEMBL


Assay Description
Displacement of acetylated histone peptide from BRD3-BD1,2 by FRET assay


Bioorg Med Chem 20: 1887-92 (2012)

More data for this
Ligand-Target Pair
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