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Compile Data Set for Download or QSAR

Found 37 hits of Enz. Inhib. data with enzyme = 'Bromodomain-containing protein 4 Bromo 1 domain(BRD4 BD1)' and Substrate = 'to-be-curated'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Bromodomain-containing protein 4 Bromo 1 domain(BRD4 BD1)


(Homo sapiens (Human))
BDBM313771
PNG
(US10167292, Example 5)
Show SMILES Cc1nnn2CCN(c3ccccc3)c3ccccc3-c12
Show InChI InChI=1S/C17H16N4/c1-13-17-15-9-5-6-10-16(15)20(11-12-21(17)19-18-13)14-7-3-2-4-8-14/h2-10H,11-12H2,1H3
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n/an/a<100n/an/an/an/an/an/a



Catalyst Therapeutics Pty Ltd.

US Patent


Assay Description
BRD binding and inhibition was assessed by measuring the interaction of biotinylated acetyl-histone H4 peptide (Anaspec #64989) with the BRD target p...


US Patent US10167292 (2019)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 Bromo 1 domain(BRD4 BD1)


(Homo sapiens (Human))
BDBM313789
PNG
(US10167292, Example 33)
Show SMILES C[C@H](NC(=O)c1ccc2-c3c(C)nnn3CCN(c3ccc(Cl)cc3)c2c1)c1ccc(F)cc1
Show InChI InChI=1S/C26H23ClFN5O/c1-16(18-3-8-21(28)9-4-18)29-26(34)19-5-12-23-24(15-19)32(22-10-6-20(27)7-11-22)13-14-33-25(23)17(2)30-31-33/h3-12,15-16H,13-14H2,1-2H3,(H,29,34)/t16-/m0/s1
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Catalyst Therapeutics Pty Ltd.

US Patent


Assay Description
BRD binding and inhibition was assessed by measuring the interaction of biotinylated acetyl-histone H4 peptide (Anaspec #64989) with the BRD target p...


US Patent US10167292 (2019)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 Bromo 1 domain(BRD4 BD1)


(Homo sapiens (Human))
BDBM313806
PNG
(US10167292, Example 50)
Show SMILES Cc1nnn2CCN(c3ccc(Cl)cc3)c3cc(ccc3-c12)C(O)C(F)(F)F
Show InChI InChI=1S/C19H16ClF3N4O/c1-11-17-15-7-2-12(18(28)19(21,22)23)10-16(15)26(8-9-27(17)25-24-11)14-5-3-13(20)4-6-14/h2-7,10,18,28H,8-9H2,1H3
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Catalyst Therapeutics Pty Ltd.

US Patent


Assay Description
BRD binding and inhibition was assessed by measuring the interaction of biotinylated acetyl-histone H4 peptide (Anaspec #64989) with the BRD target p...


US Patent US10167292 (2019)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 Bromo 1 domain(BRD4 BD1)


(Homo sapiens (Human))
BDBM313805
PNG
(US10167292, Example 49)
Show SMILES Cc1nnn2CCN(c3ccc(Cl)cc3)c3cc(ccc3-c12)-c1noc(=O)[nH]1
Show InChI InChI=1S/C19H15ClN6O2/c1-11-17-15-7-2-12(18-21-19(27)28-23-18)10-16(15)25(8-9-26(17)24-22-11)14-5-3-13(20)4-6-14/h2-7,10H,8-9H2,1H3,(H,21,23,27)
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Catalyst Therapeutics Pty Ltd.

US Patent


Assay Description
BRD binding and inhibition was assessed by measuring the interaction of biotinylated acetyl-histone H4 peptide (Anaspec #64989) with the BRD target p...


US Patent US10167292 (2019)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 Bromo 1 domain(BRD4 BD1)


(Homo sapiens (Human))
BDBM313773
PNG
(US10167292, Example 7)
Show SMILES Cc1nnn2CCN(c3ccc(Cl)cc3)c3cc(ccc3-c12)-c1ccc(C)nc1
Show InChI InChI=1S/C23H20ClN5/c1-15-3-4-18(14-25-15)17-5-10-21-22(13-17)28(20-8-6-19(24)7-9-20)11-12-29-23(21)16(2)26-27-29/h3-10,13-14H,11-12H2,1-2H3
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Catalyst Therapeutics Pty Ltd.

US Patent


Assay Description
BRD binding and inhibition was assessed by measuring the interaction of biotinylated acetyl-histone H4 peptide (Anaspec #64989) with the BRD target p...


US Patent US10167292 (2019)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 Bromo 1 domain(BRD4 BD1)


(Homo sapiens (Human))
BDBM313774
PNG
(US10167292, Example 8)
Show SMILES Cc1nnn2CCN(c3ccc(Cl)cc3)c3cc(ccc3-c12)-c1ccc(N)nc1
Show InChI InChI=1S/C22H19ClN6/c1-14-22-19-8-2-15(16-3-9-21(24)25-13-16)12-20(19)28(10-11-29(22)27-26-14)18-6-4-17(23)5-7-18/h2-9,12-13H,10-11H2,1H3,(H2,24,25)
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Catalyst Therapeutics Pty Ltd.

US Patent


Assay Description
BRD binding and inhibition was assessed by measuring the interaction of biotinylated acetyl-histone H4 peptide (Anaspec #64989) with the BRD target p...


US Patent US10167292 (2019)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 Bromo 1 domain(BRD4 BD1)


(Homo sapiens (Human))
BDBM313775
PNG
(US10167292, Example 10)
Show SMILES Cc1nnn2CCN(c3ccc(Cl)cc3)c3cc(ccc3-c12)-c1cc[nH]n1
Show InChI InChI=1S/C20H17ClN6/c1-13-20-17-7-2-14(18-8-9-22-24-18)12-19(17)26(10-11-27(20)25-23-13)16-5-3-15(21)4-6-16/h2-9,12H,10-11H2,1H3,(H,22,24)
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Catalyst Therapeutics Pty Ltd.

US Patent


Assay Description
BRD binding and inhibition was assessed by measuring the interaction of biotinylated acetyl-histone H4 peptide (Anaspec #64989) with the BRD target p...


US Patent US10167292 (2019)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 Bromo 1 domain(BRD4 BD1)


(Homo sapiens (Human))
BDBM313776
PNG
(US10167292, Example 11)
Show SMILES Cc1nnn2CCN(c3ccc(Cl)cc3)c3ccccc3-c12
Show InChI InChI=1S/C17H15ClN4/c1-12-17-15-4-2-3-5-16(15)21(10-11-22(17)20-19-12)14-8-6-13(18)7-9-14/h2-9H,10-11H2,1H3
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Catalyst Therapeutics Pty Ltd.

US Patent


Assay Description
BRD binding and inhibition was assessed by measuring the interaction of biotinylated acetyl-histone H4 peptide (Anaspec #64989) with the BRD target p...


US Patent US10167292 (2019)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 Bromo 1 domain(BRD4 BD1)


(Homo sapiens (Human))
BDBM313777
PNG
(US10167292, Example 12)
Show SMILES Cc1nnn2CCN(c3ccc(Cl)cc3)c3cc(ccc3-c12)-c1cnc(N)nc1
Show InChI InChI=1S/C21H18ClN7/c1-13-20-18-7-2-14(15-11-24-21(23)25-12-15)10-19(18)28(8-9-29(20)27-26-13)17-5-3-16(22)4-6-17/h2-7,10-12H,8-9H2,1H3,(H2,23,24,25)
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Catalyst Therapeutics Pty Ltd.

US Patent


Assay Description
BRD binding and inhibition was assessed by measuring the interaction of biotinylated acetyl-histone H4 peptide (Anaspec #64989) with the BRD target p...


US Patent US10167292 (2019)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 Bromo 1 domain(BRD4 BD1)


(Homo sapiens (Human))
BDBM313778
PNG
(US10167292, Example 13)
Show SMILES C[C@H]1CN(c2ccc(Cl)cc2)c2ccccc2-c2c(C)nnn12
Show InChI InChI=1S/C18H17ClN4/c1-12-11-22(15-9-7-14(19)8-10-15)17-6-4-3-5-16(17)18-13(2)20-21-23(12)18/h3-10,12H,11H2,1-2H3/t12-/m0/s1
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Catalyst Therapeutics Pty Ltd.

US Patent


Assay Description
BRD binding and inhibition was assessed by measuring the interaction of biotinylated acetyl-histone H4 peptide (Anaspec #64989) with the BRD target p...


US Patent US10167292 (2019)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 Bromo 1 domain(BRD4 BD1)


(Homo sapiens (Human))
BDBM313779
PNG
(US10167292, Example 16)
Show SMILES C[C@@H]1CN(c2ccc(Cl)cc2)c2ccccc2-c2c(C)nnn12
Show InChI InChI=1S/C18H17ClN4/c1-12-11-22(15-9-7-14(19)8-10-15)17-6-4-3-5-16(17)18-13(2)20-21-23(12)18/h3-10,12H,11H2,1-2H3/t12-/m1/s1
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Catalyst Therapeutics Pty Ltd.

US Patent


Assay Description
BRD binding and inhibition was assessed by measuring the interaction of biotinylated acetyl-histone H4 peptide (Anaspec #64989) with the BRD target p...


US Patent US10167292 (2019)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 Bromo 1 domain(BRD4 BD1)


(Homo sapiens (Human))
BDBM313780
PNG
(US10167292, Example 20)
Show SMILES Cc1nnn2CCN(c3ccc(Cl)cc3)c3cc(Cn4cccn4)ccc3-c12
Show InChI InChI=1S/C21H19ClN6/c1-15-21-19-8-3-16(14-26-10-2-9-23-26)13-20(19)27(11-12-28(21)25-24-15)18-6-4-17(22)5-7-18/h2-10,13H,11-12,14H2,1H3
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Catalyst Therapeutics Pty Ltd.

US Patent


Assay Description
BRD binding and inhibition was assessed by measuring the interaction of biotinylated acetyl-histone H4 peptide (Anaspec #64989) with the BRD target p...


US Patent US10167292 (2019)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 Bromo 1 domain(BRD4 BD1)


(Homo sapiens (Human))
BDBM313781
PNG
(US10167292, Example 21)
Show SMILES Cc1nnn2C(CCO)CN(c3ccc(Cl)cc3)c3ccccc3-c12
Show InChI InChI=1S/C19H19ClN4O/c1-13-19-17-4-2-3-5-18(17)23(15-8-6-14(20)7-9-15)12-16(10-11-25)24(19)22-21-13/h2-9,16,25H,10-12H2,1H3
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Catalyst Therapeutics Pty Ltd.

US Patent


Assay Description
BRD binding and inhibition was assessed by measuring the interaction of biotinylated acetyl-histone H4 peptide (Anaspec #64989) with the BRD target p...


US Patent US10167292 (2019)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 Bromo 1 domain(BRD4 BD1)


(Homo sapiens (Human))
BDBM313782
PNG
(US10167292, Example 22)
Show SMILES Cc1nnn2CCN(c3cccc(Br)c3)c3ccccc3-c12
Show InChI InChI=1S/C17H15BrN4/c1-12-17-15-7-2-3-8-16(15)21(9-10-22(17)20-19-12)14-6-4-5-13(18)11-14/h2-8,11H,9-10H2,1H3
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Catalyst Therapeutics Pty Ltd.

US Patent


Assay Description
BRD binding and inhibition was assessed by measuring the interaction of biotinylated acetyl-histone H4 peptide (Anaspec #64989) with the BRD target p...


US Patent US10167292 (2019)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 Bromo 1 domain(BRD4 BD1)


(Homo sapiens (Human))
BDBM313783
PNG
(US10167292, Example 23)
Show SMILES Cc1nnn2CCN(c3cccc(C=C)c3)c3ccccc3-c12
Show InChI InChI=1S/C19H18N4/c1-3-15-7-6-8-16(13-15)22-11-12-23-19(14(2)20-21-23)17-9-4-5-10-18(17)22/h3-10,13H,1,11-12H2,2H3
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Catalyst Therapeutics Pty Ltd.

US Patent


Assay Description
BRD binding and inhibition was assessed by measuring the interaction of biotinylated acetyl-histone H4 peptide (Anaspec #64989) with the BRD target p...


US Patent US10167292 (2019)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 Bromo 1 domain(BRD4 BD1)


(Homo sapiens (Human))
BDBM313784
PNG
(US10167292, Example 24)
Show SMILES Cc1nnn2CCN(c3cccc(c3)C(O)CO)c3ccccc3-c12
Show InChI InChI=1S/C19H20N4O2/c1-13-19-16-7-2-3-8-17(16)22(9-10-23(19)21-20-13)15-6-4-5-14(11-15)18(25)12-24/h2-8,11,18,24-25H,9-10,12H2,1H3
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Catalyst Therapeutics Pty Ltd.

US Patent


Assay Description
BRD binding and inhibition was assessed by measuring the interaction of biotinylated acetyl-histone H4 peptide (Anaspec #64989) with the BRD target p...


US Patent US10167292 (2019)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 Bromo 1 domain(BRD4 BD1)


(Homo sapiens (Human))
BDBM313787
PNG
(US10167292, Example 31)
Show SMILES COC(=O)c1ccc2-c3c(C)nnn3CCN(c3ccc(Cl)cc3)c2c1
Show InChI InChI=1S/C19H17ClN4O2/c1-12-18-16-8-3-13(19(25)26-2)11-17(16)23(9-10-24(18)22-21-12)15-6-4-14(20)5-7-15/h3-8,11H,9-10H2,1-2H3
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Catalyst Therapeutics Pty Ltd.

US Patent


Assay Description
BRD binding and inhibition was assessed by measuring the interaction of biotinylated acetyl-histone H4 peptide (Anaspec #64989) with the BRD target p...


US Patent US10167292 (2019)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 Bromo 1 domain(BRD4 BD1)


(Homo sapiens (Human))
BDBM313788
PNG
(US10167292, Example 32)
Show SMILES Cc1nnn2CCN(c3ccc(Cl)cc3)c3cc(ccc3-c12)C(O)=O
Show InChI InChI=1S/C18H15ClN4O2/c1-11-17-15-7-2-12(18(24)25)10-16(15)22(8-9-23(17)21-20-11)14-5-3-13(19)4-6-14/h2-7,10H,8-9H2,1H3,(H,24,25)
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Catalyst Therapeutics Pty Ltd.

US Patent


Assay Description
BRD binding and inhibition was assessed by measuring the interaction of biotinylated acetyl-histone H4 peptide (Anaspec #64989) with the BRD target p...


US Patent US10167292 (2019)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 Bromo 1 domain(BRD4 BD1)


(Homo sapiens (Human))
BDBM313807
PNG
(US10167292, Example 51B)
Show SMILES Cc1nnn2CCN(c3ccc(Cl)cc3)c3cc(ccc3-c12)-c1nn[nH]n1
Show InChI InChI=1S/C18H15ClN8/c1-11-17-15-7-2-12(18-21-23-24-22-18)10-16(15)26(8-9-27(17)25-20-11)14-5-3-13(19)4-6-14/h2-7,10H,8-9H2,1H3,(H,21,22,23,24)
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Catalyst Therapeutics Pty Ltd.

US Patent


Assay Description
BRD binding and inhibition was assessed by measuring the interaction of biotinylated acetyl-histone H4 peptide (Anaspec #64989) with the BRD target p...


US Patent US10167292 (2019)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 Bromo 1 domain(BRD4 BD1)


(Homo sapiens (Human))
BDBM313790
PNG
(US10167292, Example 34)
Show SMILES Cc1nnn2CCN(c3ccc(Cl)cc3)c3cc(CO)ccc3-c12
Show InChI InChI=1S/C18H17ClN4O/c1-12-18-16-7-2-13(11-24)10-17(16)22(8-9-23(18)21-20-12)15-5-3-14(19)4-6-15/h2-7,10,24H,8-9,11H2,1H3
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Catalyst Therapeutics Pty Ltd.

US Patent


Assay Description
BRD binding and inhibition was assessed by measuring the interaction of biotinylated acetyl-histone H4 peptide (Anaspec #64989) with the BRD target p...


US Patent US10167292 (2019)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 Bromo 1 domain(BRD4 BD1)


(Homo sapiens (Human))
BDBM313791
PNG
(US10167292, Example 35)
Show SMILES C[C@H](NC(=O)c1ccc2-c3c(C)nnn3CCN(c3ccc(Cl)cc3)c2c1)c1ccccc1
Show InChI InChI=1S/C26H24ClN5O/c1-17(19-6-4-3-5-7-19)28-26(33)20-8-13-23-24(16-20)31(22-11-9-21(27)10-12-22)14-15-32-25(23)18(2)29-30-32/h3-13,16-17H,14-15H2,1-2H3,(H,28,33)/t17-/m0/s1
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Catalyst Therapeutics Pty Ltd.

US Patent


Assay Description
BRD binding and inhibition was assessed by measuring the interaction of biotinylated acetyl-histone H4 peptide (Anaspec #64989) with the BRD target p...


US Patent US10167292 (2019)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 Bromo 1 domain(BRD4 BD1)


(Homo sapiens (Human))
BDBM313792
PNG
(US10167292, Example 36)
Show SMILES Cc1nnn2CCN(c3ccc(Cl)cc3)c3cc(ccc3-c12)C(=O)Nc1ccccc1
Show InChI InChI=1S/C24H20ClN5O/c1-16-23-21-12-7-17(24(31)26-19-5-3-2-4-6-19)15-22(21)29(13-14-30(23)28-27-16)20-10-8-18(25)9-11-20/h2-12,15H,13-14H2,1H3,(H,26,31)
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Catalyst Therapeutics Pty Ltd.

US Patent


Assay Description
BRD binding and inhibition was assessed by measuring the interaction of biotinylated acetyl-histone H4 peptide (Anaspec #64989) with the BRD target p...


US Patent US10167292 (2019)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 Bromo 1 domain(BRD4 BD1)


(Homo sapiens (Human))
BDBM313793
PNG
(US10167292, Example 37)
Show SMILES Cc1nnn2CCN(c3ccc(Cl)cc3)c3cc(ccc3-c12)C(=O)NCc1ccccc1
Show InChI InChI=1S/C25H22ClN5O/c1-17-24-22-12-7-19(25(32)27-16-18-5-3-2-4-6-18)15-23(22)30(13-14-31(24)29-28-17)21-10-8-20(26)9-11-21/h2-12,15H,13-14,16H2,1H3,(H,27,32)
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Catalyst Therapeutics Pty Ltd.

US Patent


Assay Description
BRD binding and inhibition was assessed by measuring the interaction of biotinylated acetyl-histone H4 peptide (Anaspec #64989) with the BRD target p...


US Patent US10167292 (2019)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 Bromo 1 domain(BRD4 BD1)


(Homo sapiens (Human))
BDBM313794
PNG
(US10167292, Example 38)
Show SMILES Cc1nnn2CCN(c3ccc(Cl)cc3)c3cc(ccc3-c12)C(=O)NC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C31H26ClN5O/c1-21-30-27-17-12-24(31(38)33-29(22-8-4-2-5-9-22)23-10-6-3-7-11-23)20-28(27)36(18-19-37(30)35-34-21)26-15-13-25(32)14-16-26/h2-17,20,29H,18-19H2,1H3,(H,33,38)
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n/an/a<100n/an/an/an/an/an/a



Catalyst Therapeutics Pty Ltd.

US Patent


Assay Description
BRD binding and inhibition was assessed by measuring the interaction of biotinylated acetyl-histone H4 peptide (Anaspec #64989) with the BRD target p...


US Patent US10167292 (2019)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 Bromo 1 domain(BRD4 BD1)


(Homo sapiens (Human))
BDBM313795
PNG
(US10167292, Example 39)
Show SMILES C[C@@H](NC(=O)c1ccc2-c3c(C)nnn3CCN(c3ccc(Cl)cc3)c2c1)c1ccccc1
Show InChI InChI=1S/C26H24ClN5O/c1-17(19-6-4-3-5-7-19)28-26(33)20-8-13-23-24(16-20)31(22-11-9-21(27)10-12-22)14-15-32-25(23)18(2)29-30-32/h3-13,16-17H,14-15H2,1-2H3,(H,28,33)/t17-/m1/s1
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n/an/a<100n/an/an/an/an/an/a



Catalyst Therapeutics Pty Ltd.

US Patent


Assay Description
BRD binding and inhibition was assessed by measuring the interaction of biotinylated acetyl-histone H4 peptide (Anaspec #64989) with the BRD target p...


US Patent US10167292 (2019)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 Bromo 1 domain(BRD4 BD1)


(Homo sapiens (Human))
BDBM313796
PNG
(US10167292, Example 40)
Show SMILES Cc1nnn2CCN(c3ccc(Cl)cc3)c3cc(ccc3-c12)C(=O)NS(=O)(=O)c1ccccc1
Show InChI InChI=1S/C24H20ClN5O3S/c1-16-23-21-12-7-17(24(31)27-34(32,33)20-5-3-2-4-6-20)15-22(21)29(13-14-30(23)28-26-16)19-10-8-18(25)9-11-19/h2-12,15H,13-14H2,1H3,(H,27,31)
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Catalyst Therapeutics Pty Ltd.

US Patent


Assay Description
BRD binding and inhibition was assessed by measuring the interaction of biotinylated acetyl-histone H4 peptide (Anaspec #64989) with the BRD target p...


US Patent US10167292 (2019)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 Bromo 1 domain(BRD4 BD1)


(Homo sapiens (Human))
BDBM313797
PNG
(US10167292, Example 41)
Show SMILES Cc1nnn2CCN(c3ccc(Cl)cc3)c3cc(ccc3-c12)C(=O)NS(C)(=O)=O
Show InChI InChI=1S/C19H18ClN5O3S/c1-12-18-16-8-3-13(19(26)22-29(2,27)28)11-17(16)24(9-10-25(18)23-21-12)15-6-4-14(20)5-7-15/h3-8,11H,9-10H2,1-2H3,(H,22,26)
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Catalyst Therapeutics Pty Ltd.

US Patent


Assay Description
BRD binding and inhibition was assessed by measuring the interaction of biotinylated acetyl-histone H4 peptide (Anaspec #64989) with the BRD target p...


US Patent US10167292 (2019)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 Bromo 1 domain(BRD4 BD1)


(Homo sapiens (Human))
BDBM313798
PNG
(US10167292, Example 42)
Show SMILES Cc1nnn2CCN(c3ccc(Cl)cc3)c3cc(ccc3-c12)C(N)=O
Show InChI InChI=1S/C18H16ClN5O/c1-11-17-15-7-2-12(18(20)25)10-16(15)23(8-9-24(17)22-21-11)14-5-3-13(19)4-6-14/h2-7,10H,8-9H2,1H3,(H2,20,25)
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Catalyst Therapeutics Pty Ltd.

US Patent


Assay Description
BRD binding and inhibition was assessed by measuring the interaction of biotinylated acetyl-histone H4 peptide (Anaspec #64989) with the BRD target p...


US Patent US10167292 (2019)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 Bromo 1 domain(BRD4 BD1)


(Homo sapiens (Human))
BDBM313799
PNG
(US10167292, Example 43)
Show SMILES C[C@H](NC(=O)c1ccc2-c3c(C)nnn3CCN(c3ccccc3)c2c1)c1ccc(F)cc1
Show InChI InChI=1S/C26H24FN5O/c1-17(19-8-11-21(27)12-9-19)28-26(33)20-10-13-23-24(16-20)31(22-6-4-3-5-7-22)14-15-32-25(23)18(2)29-30-32/h3-13,16-17H,14-15H2,1-2H3,(H,28,33)/t17-/m0/s1
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Catalyst Therapeutics Pty Ltd.

US Patent


Assay Description
BRD binding and inhibition was assessed by measuring the interaction of biotinylated acetyl-histone H4 peptide (Anaspec #64989) with the BRD target p...


US Patent US10167292 (2019)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 Bromo 1 domain(BRD4 BD1)


(Homo sapiens (Human))
BDBM313800
PNG
(US10167292, Example 44)
Show SMILES Cc1nnn2CCN(c3ccc(Cl)cc3)c3cc(ccc3-c12)C(=O)NO
Show InChI InChI=1S/C18H16ClN5O2/c1-11-17-15-7-2-12(18(25)21-26)10-16(15)23(8-9-24(17)22-20-11)14-5-3-13(19)4-6-14/h2-7,10,26H,8-9H2,1H3,(H,21,25)
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Catalyst Therapeutics Pty Ltd.

US Patent


Assay Description
BRD binding and inhibition was assessed by measuring the interaction of biotinylated acetyl-histone H4 peptide (Anaspec #64989) with the BRD target p...


US Patent US10167292 (2019)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 Bromo 1 domain(BRD4 BD1)


(Homo sapiens (Human))
BDBM313801
PNG
(US10167292, Example 45)
Show SMILES Cc1nnn2CCN(c3ccc(Cl)cc3)c3cc(ccc3-c12)C(=O)NOCCO
Show InChI InChI=1S/C20H20ClN5O3/c1-13-19-17-7-2-14(20(28)23-29-11-10-27)12-18(17)25(8-9-26(19)24-22-13)16-5-3-15(21)4-6-16/h2-7,12,27H,8-11H2,1H3,(H,23,28)
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Catalyst Therapeutics Pty Ltd.

US Patent


Assay Description
BRD binding and inhibition was assessed by measuring the interaction of biotinylated acetyl-histone H4 peptide (Anaspec #64989) with the BRD target p...


US Patent US10167292 (2019)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 Bromo 1 domain(BRD4 BD1)


(Homo sapiens (Human))
BDBM313802
PNG
(US10167292, Example 46)
Show SMILES CONC(=O)c1ccc2-c3c(C)nnn3CCN(c3ccc(Cl)cc3)c2c1
Show InChI InChI=1S/C19H18ClN5O2/c1-12-18-16-8-3-13(19(26)22-27-2)11-17(16)24(9-10-25(18)23-21-12)15-6-4-14(20)5-7-15/h3-8,11H,9-10H2,1-2H3,(H,22,26)
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Catalyst Therapeutics Pty Ltd.

US Patent


Assay Description
BRD binding and inhibition was assessed by measuring the interaction of biotinylated acetyl-histone H4 peptide (Anaspec #64989) with the BRD target p...


US Patent US10167292 (2019)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 Bromo 1 domain(BRD4 BD1)


(Homo sapiens (Human))
BDBM313803
PNG
(US10167292, Example 47)
Show SMILES Cc1nnn2CCN(c3ccc(Cl)cc3)c3cc(ccc3-c12)C#N
Show InChI InChI=1S/C18H14ClN5/c1-12-18-16-7-2-13(11-20)10-17(16)23(8-9-24(18)22-21-12)15-5-3-14(19)4-6-15/h2-7,10H,8-9H2,1H3
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Catalyst Therapeutics Pty Ltd.

US Patent


Assay Description
BRD binding and inhibition was assessed by measuring the interaction of biotinylated acetyl-histone H4 peptide (Anaspec #64989) with the BRD target p...


US Patent US10167292 (2019)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 Bromo 1 domain(BRD4 BD1)


(Homo sapiens (Human))
BDBM313804
PNG
(US10167292, Example 48)
Show SMILES CON(C)C(=O)c1ccc2-c3c(C)nnn3CCN(c3ccc(Cl)cc3)c2c1
Show InChI InChI=1S/C20H20ClN5O2/c1-13-19-17-9-4-14(20(27)24(2)28-3)12-18(17)25(10-11-26(19)23-22-13)16-7-5-15(21)6-8-16/h4-9,12H,10-11H2,1-3H3
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Catalyst Therapeutics Pty Ltd.

US Patent


Assay Description
BRD binding and inhibition was assessed by measuring the interaction of biotinylated acetyl-histone H4 peptide (Anaspec #64989) with the BRD target p...


US Patent US10167292 (2019)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 Bromo 1 domain(BRD4 BD1)


(Homo sapiens (Human))
BDBM313786
PNG
(US10167292, Example 30)
Show SMILES Cc1nnn2CCN(c3ccc(Cl)cc3)c3cc(CCN4CCOCC4)ccc3-c12
Show InChI InChI=1S/C23H26ClN5O/c1-17-23-21-7-2-18(8-9-27-12-14-30-15-13-27)16-22(21)28(10-11-29(23)26-25-17)20-5-3-19(24)4-6-20/h2-7,16H,8-15H2,1H3
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Catalyst Therapeutics Pty Ltd.

US Patent


Assay Description
BRD binding and inhibition was assessed by measuring the interaction of biotinylated acetyl-histone H4 peptide (Anaspec #64989) with the BRD target p...


US Patent US10167292 (2019)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 Bromo 1 domain(BRD4 BD1)


(Homo sapiens (Human))
BDBM313785
PNG
(US10167292, Example 29)
Show SMILES FC(F)c1nnn2CCN(c3ccc(Cl)cc3)c3ccccc3-c12
Show InChI InChI=1S/C17H13ClF2N4/c18-11-5-7-12(8-6-11)23-9-10-24-16(15(17(19)20)21-22-24)13-3-1-2-4-14(13)23/h1-8,17H,9-10H2
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Catalyst Therapeutics Pty Ltd.

US Patent


Assay Description
BRD binding and inhibition was assessed by measuring the interaction of biotinylated acetyl-histone H4 peptide (Anaspec #64989) with the BRD target p...


US Patent US10167292 (2019)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 Bromo 1 domain(BRD4 BD1)


(Homo sapiens (Human))
BDBM313772
PNG
(US10167292, Example 6)
Show SMILES Cc1nnn2CCN(Cc3ccccc3)c3ccccc3-c12
Show InChI InChI=1S/C18H18N4/c1-14-18-16-9-5-6-10-17(16)21(11-12-22(18)20-19-14)13-15-7-3-2-4-8-15/h2-10H,11-13H2,1H3
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Catalyst Therapeutics Pty Ltd.

US Patent


Assay Description
BRD binding and inhibition was assessed by measuring the interaction of biotinylated acetyl-histone H4 peptide (Anaspec #64989) with the BRD target p...


US Patent US10167292 (2019)

More data for this
Ligand-Target Pair