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Compile Data Set for Download or QSAR

Found 1807 hits Enz. Inhib. hit(s) with Target = 'Bromodomain-containing protein 4 (BRD4)' 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 protein 4 (BRD4-BD1)


(Homo sapiens (Human))
BDBM205453
PNG
(MTI (35))
Show SMILES Cc1sc-2c(c1C)C(=NC(CC(=O)NCCOCCOCCOCCOCCOCCOCCOCCNC(=O)C[C@@H]1N=C(c3c(C)c(C)sc3-n3c(C)nnc13)c1ccc(Cl)cc1)c1nnc(C)n-21)c1ccc(Cl)cc1
Show InChI InChI=1/C54H66Cl2N10O9S2/c1-33-35(3)76-53-47(33)49(39-7-11-41(55)12-8-39)59-43(51-63-61-37(5)65(51)53)31-45(67)57-15-17-69-19-21-71-23-25-73-27-29-75-30-28-74-26-24-72-22-20-70-18-16-58-46(68)32-44-52-64-62-38(6)66(52)54-48(34(2)36(4)77-54)50(60-44)40-9-13-42(56)14-10-40/h7-14,43-44H,15-32H2,1-6H3,(H,57,67)(H,58,68)/t43-,44?/s2
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0.0990n/an/an/an/an/an/an/an/a



Dana-Farber Cancer Institute



Assay Description
Refer to DiscoverX


Nat Chem Biol 12: 1089-1096 (2016)

More data for this
Ligand-Target Pair
Bromodomain protein 4 (BRD4-BD1)


(Homo sapiens (Human))
BDBM205431
PNG
((6S+2S)-PEG1 (7))
Show SMILES COC(=O)C[C@@H]1N=C(c2c(C)c(sc2-n2c(C)nnc12)C(=O)NCCOCCNC(=O)C[C@@H]1N=C(c2c(C)c(C)sc2-n2c(C)nnc12)c1ccc(Cl)cc1)c1ccc(Cl)cc1
Show InChI InChI=1/C43H42Cl2N10O5S2/c1-21-23(3)61-42-34(21)36(26-7-11-28(44)12-8-26)48-30(39-52-50-24(4)54(39)42)19-32(56)46-15-17-60-18-16-47-41(58)38-22(2)35-37(27-9-13-29(45)14-10-27)49-31(20-33(57)59-6)40-53-51-25(5)55(40)43(35)62-38/h7-14,30-31H,15-20H2,1-6H3,(H,46,56)(H,47,58)/t30-,31-/s2
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0.180n/an/an/an/an/an/an/an/a



Dana-Farber Cancer Institute



Assay Description
Refer to DiscoverX


Nat Chem Biol 12: 1089-1096 (2016)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 (BRD4)


(Homo sapiens (Human))
BDBM220432
PNG
(US9296741, 21)
Show SMILES CCS(=O)(=O)Nc1ccc(Oc2ccccc2)c(c1)-c1cn(C)c(=O)c2[nH]ccc12
Show InChI InChI=1S/C22H21N3O4S/c1-3-30(27,28)24-15-9-10-20(29-16-7-5-4-6-8-16)18(13-15)19-14-25(2)22(26)21-17(19)11-12-23-21/h4-14,23-24H,3H2,1-2H3
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0.25n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
A time-resolved fluorescence resonance energy transfer (TR-FRET) assay was used to determine the affinities of compounds of the Examples listed in Ta...


US Patent US9296741 (2016)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 (BRD4)


(Homo sapiens (Human))
BDBM220432
PNG
(US9296741, 21)
Show SMILES CCS(=O)(=O)Nc1ccc(Oc2ccccc2)c(c1)-c1cn(C)c(=O)c2[nH]ccc12
Show InChI InChI=1S/C22H21N3O4S/c1-3-30(27,28)24-15-9-10-20(29-16-7-5-4-6-8-16)18(13-15)19-14-25(2)22(26)21-17(19)11-12-23-21/h4-14,23-24H,3H2,1-2H3
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0.390n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
A time-resolved fluorescence resonance energy transfer (TR-FRET) assay was used to determine the affinities of compounds of the Examples listed in Ta...


US Patent US9296741 (2016)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 (BRD4)


(Homo sapiens (Human))
BDBM220626
PNG
(US9296741, 215)
Show SMILES Cn1cc(-c2cc(ccc2OC2CCCCC2)S(C)(=O)=O)c2cc[nH]c2c1=O
Show InChI InChI=1S/C21H24N2O4S/c1-23-13-18(16-10-11-22-20(16)21(23)24)17-12-15(28(2,25)26)8-9-19(17)27-14-6-4-3-5-7-14/h8-14,22H,3-7H2,1-2H3
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0.460n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
A time-resolved fluorescence resonance energy transfer (TR-FRET) assay was used to determine the affinities of compounds of the Examples listed in Ta...


US Patent US9296741 (2016)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 (BRD4)


(Homo sapiens (Human))
BDBM220484
PNG
(US9296741, 73)
Show SMILES Cn1cc(-c2cc(NS(C)(=O)=O)ccc2Oc2ccccc2)c2cc([nH]c2c1=O)C(N)=O
Show InChI InChI=1S/C22H20N4O5S/c1-26-12-17(16-11-18(21(23)27)24-20(16)22(26)28)15-10-13(25-32(2,29)30)8-9-19(15)31-14-6-4-3-5-7-14/h3-12,24-25H,1-2H3,(H2,23,27)
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0.5n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
A time-resolved fluorescence resonance energy transfer (TR-FRET) assay was used to determine the affinities of compounds of the Examples listed in Ta...


US Patent US9296741 (2016)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 (BRD4)


(Homo sapiens (Human))
BDBM220518
PNG
(US9296741, 107)
Show SMILES Cn1cc(-c2cc(NS(=O)(=O)CC(F)(F)F)ccc2OC2CCCOC2)c2cc[nH]c2c1=O
Show InChI InChI=1/C21H22F3N3O5S/c1-27-10-17(15-6-7-25-19(15)20(27)28)16-9-13(26-33(29,30)12-21(22,23)24)4-5-18(16)32-14-3-2-8-31-11-14/h4-7,9-10,14,25-26H,2-3,8,11-12H2,1H3
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0.5n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
A time-resolved fluorescence resonance energy transfer (TR-FRET) assay was used to determine the affinities of compounds of the Examples listed in Ta...


US Patent US9296741 (2016)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 (BRD4)


(Homo sapiens (Human))
BDBM220452
PNG
(US9296741, 41)
Show SMILES Cn1cc(-c2cc(CN3CCCS3(=O)=O)ccc2Oc2ccccc2)c2cc[nH]c2c1=O
Show InChI InChI=1S/C24H23N3O4S/c1-26-16-21(19-10-11-25-23(19)24(26)28)20-14-17(15-27-12-5-13-32(27,29)30)8-9-22(20)31-18-6-3-2-4-7-18/h2-4,6-11,14,16,25H,5,12-13,15H2,1H3
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0.510n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
A time-resolved fluorescence resonance energy transfer (TR-FRET) assay was used to determine the affinities of compounds of the Examples listed in Ta...


US Patent US9296741 (2016)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 (BRD4)


(Homo sapiens (Human))
BDBM220516
PNG
(US9296741, 105)
Show SMILES CCS(=O)(=O)Nc1ccc(OC2CCCOC2)c(c1)-c1cn(C)c(=O)c2[nH]ccc12
Show InChI InChI=1/C21H25N3O5S/c1-3-30(26,27)23-14-6-7-19(29-15-5-4-10-28-13-15)17(11-14)18-12-24(2)21(25)20-16(18)8-9-22-20/h6-9,11-12,15,22-23H,3-5,10,13H2,1-2H3
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0.520n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
A time-resolved fluorescence resonance energy transfer (TR-FRET) assay was used to determine the affinities of compounds of the Examples listed in Ta...


US Patent US9296741 (2016)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 (BRD4)


(Homo sapiens (Human))
BDBM220679
PNG
(US9296741, 268)
Show SMILES CCS(=O)(=O)c1ccc(OC2CCC(C)(CC2)OC)c(c1)-c1cn(C)c(=O)c2[nH]ccc12
Show InChI InChI=1S/C24H30N2O5S/c1-5-32(28,29)17-6-7-21(31-16-8-11-24(2,30-4)12-9-16)19(14-17)20-15-26(3)23(27)22-18(20)10-13-25-22/h6-7,10,13-16,25H,5,8-9,11-12H2,1-4H3
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0.570n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
A time-resolved fluorescence resonance energy transfer (TR-FRET) assay was used to determine the affinities of compounds of the Examples listed in Ta...


US Patent US9296741 (2016)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 (BRD4)


(Homo sapiens (Human))
BDBM220507
PNG
(US9296741, 96)
Show SMILES Cn1cc(-c2cc(cnc2NC2CCCCC2)S(N)(=O)=O)c2cc[nH]c2c1=O
Show InChI InChI=1S/C19H23N5O3S/c1-24-11-16(14-7-8-21-17(14)19(24)25)15-9-13(28(20,26)27)10-22-18(15)23-12-5-3-2-4-6-12/h7-12,21H,2-6H2,1H3,(H,22,23)(H2,20,26,27)
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0.630n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
A time-resolved fluorescence resonance energy transfer (TR-FRET) assay was used to determine the affinities of compounds of the Examples listed in Ta...


US Patent US9296741 (2016)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 (BRD4)


(Homo sapiens (Human))
BDBM220495
PNG
(US9296741, 84)
Show SMILES CCS(=O)(=O)Nc1ccc(Oc2ccc(cc2)C(N)=O)c(c1)-c1cn(C)c(=O)c2[nH]ccc12
Show InChI InChI=1S/C23H22N4O5S/c1-3-33(30,31)26-15-6-9-20(32-16-7-4-14(5-8-16)22(24)28)18(12-15)19-13-27(2)23(29)21-17(19)10-11-25-21/h4-13,25-26H,3H2,1-2H3,(H2,24,28)
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0.650n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
A time-resolved fluorescence resonance energy transfer (TR-FRET) assay was used to determine the affinities of compounds of the Examples listed in Ta...


US Patent US9296741 (2016)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 (BRD4)


(Homo sapiens (Human))
BDBM220431
PNG
(US9296741, 20)
Show SMILES Cn1cc(-c2cc(CO)ccc2Oc2ccccc2)c2cc[nH]c2c1=O
Show InChI InChI=1S/C21H18N2O3/c1-23-12-18(16-9-10-22-20(16)21(23)25)17-11-14(13-24)7-8-19(17)26-15-5-3-2-4-6-15/h2-12,22,24H,13H2,1H3
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0.680n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
A time-resolved fluorescence resonance energy transfer (TR-FRET) assay was used to determine the affinities of compounds of the Examples listed in Ta...


US Patent US9296741 (2016)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 (BRD4)


(Homo sapiens (Human))
BDBM220614
PNG
(US9296741, 203)
Show SMILES CCS(=O)(=O)c1ccc(O[C@H]2CC[C@H](O)CC2)c(c1)-c1cn(C)c(=O)c2[nH]ccc12
Show InChI InChI=1S/C22H26N2O5S/c1-3-30(27,28)16-8-9-20(29-15-6-4-14(25)5-7-15)18(12-16)19-13-24(2)22(26)21-17(19)10-11-23-21/h8-15,23,25H,3-7H2,1-2H3/t14-,15-
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0.690n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
A time-resolved fluorescence resonance energy transfer (TR-FRET) assay was used to determine the affinities of compounds of the Examples listed in Ta...


US Patent US9296741 (2016)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 (BRD4)


(Homo sapiens (Human))
BDBM220520
PNG
(US9296741, 109)
Show SMILES CCS(=O)(=O)Nc1ccc(OC2CCOCC2)c(c1)-c1cn(C)c(=O)c2[nH]ccc12
Show InChI InChI=1S/C21H25N3O5S/c1-3-30(26,27)23-14-4-5-19(29-15-7-10-28-11-8-15)17(12-14)18-13-24(2)21(25)20-16(18)6-9-22-20/h4-6,9,12-13,15,22-23H,3,7-8,10-11H2,1-2H3
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0.720n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
A time-resolved fluorescence resonance energy transfer (TR-FRET) assay was used to determine the affinities of compounds of the Examples listed in Ta...


US Patent US9296741 (2016)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 (BRD4)


(Homo sapiens (Human))
BDBM220477
PNG
(US9296741, 66)
Show SMILES CCS(=O)(=O)Nc1ccc(OC2CCOC2)c(c1)-c1cn(C)c(=O)c2[nH]ccc12
Show InChI InChI=1/C20H23N3O5S/c1-3-29(25,26)22-13-4-5-18(28-14-7-9-27-12-14)16(10-13)17-11-23(2)20(24)19-15(17)6-8-21-19/h4-6,8,10-11,14,21-22H,3,7,9,12H2,1-2H3
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0.740n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
A time-resolved fluorescence resonance energy transfer (TR-FRET) assay was used to determine the affinities of compounds of the Examples listed in Ta...


US Patent US9296741 (2016)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 (BRD4)


(Homo sapiens (Human))
BDBM220614
PNG
(US9296741, 203)
Show SMILES CCS(=O)(=O)c1ccc(O[C@H]2CC[C@H](O)CC2)c(c1)-c1cn(C)c(=O)c2[nH]ccc12
Show InChI InChI=1S/C22H26N2O5S/c1-3-30(27,28)16-8-9-20(29-15-6-4-14(25)5-7-15)18(12-16)19-13-24(2)22(26)21-17(19)10-11-23-21/h8-15,23,25H,3-7H2,1-2H3/t14-,15-
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0.75n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
A time-resolved fluorescence resonance energy transfer (TR-FRET) assay was used to determine the affinities of compounds of the Examples listed in Ta...


US Patent US9296741 (2016)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 (BRD4)


(Homo sapiens (Human))
BDBM220434
PNG
(US9296741, 23)
Show SMILES Cn1cc(-c2cc(NS(C)(=O)=O)cnc2Oc2ccccc2)c2cc[nH]c2c1=O
Show InChI InChI=1S/C20H18N4O4S/c1-24-12-17(15-8-9-21-18(15)20(24)25)16-10-13(23-29(2,26)27)11-22-19(16)28-14-6-4-3-5-7-14/h3-12,21,23H,1-2H3
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0.75n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
A time-resolved fluorescence resonance energy transfer (TR-FRET) assay was used to determine the affinities of compounds of the Examples listed in Ta...


US Patent US9296741 (2016)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 (BRD4)


(Homo sapiens (Human))
BDBM220471
PNG
(US9296741, 60)
Show SMILES Cn1cc(-c2cc(NS(C)(=O)=O)ccc2OC2CCCOC2)c2cc[nH]c2c1=O
Show InChI InChI=1/C20H23N3O5S/c1-23-11-17(15-7-8-21-19(15)20(23)24)16-10-13(22-29(2,25)26)5-6-18(16)28-14-4-3-9-27-12-14/h5-8,10-11,14,21-22H,3-4,9,12H2,1-2H3
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0.75n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
A time-resolved fluorescence resonance energy transfer (TR-FRET) assay was used to determine the affinities of compounds of the Examples listed in Ta...


US Patent US9296741 (2016)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 (BRD4)


(Homo sapiens (Human))
BDBM220679
PNG
(US9296741, 268)
Show SMILES CCS(=O)(=O)c1ccc(OC2CCC(C)(CC2)OC)c(c1)-c1cn(C)c(=O)c2[nH]ccc12
Show InChI InChI=1S/C24H30N2O5S/c1-5-32(28,29)17-6-7-21(31-16-8-11-24(2,30-4)12-9-16)19(14-17)20-15-26(3)23(27)22-18(20)10-13-25-22/h6-7,10,13-16,25H,5,8-9,11-12H2,1-4H3
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0.760n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
A time-resolved fluorescence resonance energy transfer (TR-FRET) assay was used to determine the affinities of compounds of the Examples listed in Ta...


US Patent US9296741 (2016)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 (BRD4)


(Homo sapiens (Human))
BDBM220649
PNG
(US9296741, 238)
Show SMILES Cn1cc(-c2cc(ccc2NCC2CC2)S(N)(=O)=O)c2cc[nH]c2c1=O
Show InChI InChI=1S/C18H20N4O3S/c1-22-10-15(13-6-7-20-17(13)18(22)23)14-8-12(26(19,24)25)4-5-16(14)21-9-11-2-3-11/h4-8,10-11,20-21H,2-3,9H2,1H3,(H2,19,24,25)
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0.780n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
A time-resolved fluorescence resonance energy transfer (TR-FRET) assay was used to determine the affinities of compounds of the Examples listed in Ta...


US Patent US9296741 (2016)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 (BRD4)


(Homo sapiens (Human))
BDBM220608
PNG
(US9296741, 197)
Show SMILES CCS(=O)(=O)c1ccc(OC2CCC3(CC2)OCCO3)c(c1)-c1cn(C)c(=O)c2[nH]ccc12
Show InChI InChI=1S/C24H28N2O6S/c1-3-33(28,29)17-4-5-21(32-16-6-9-24(10-7-16)30-12-13-31-24)19(14-17)20-15-26(2)23(27)22-18(20)8-11-25-22/h4-5,8,11,14-16,25H,3,6-7,9-10,12-13H2,1-2H3
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0.790n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
A time-resolved fluorescence resonance energy transfer (TR-FRET) assay was used to determine the affinities of compounds of the Examples listed in Ta...


US Patent US9296741 (2016)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 (BRD4)


(Homo sapiens (Human))
BDBM220750
PNG
(US9296741, 339)
Show SMILES CCS(=O)(=O)Nc1ccc(Oc2ccc(F)cc2F)c(c1)-c1cn(C)c(=O)c2[nH]c(CN3CCN(C)CC3)cc12
Show InChI InChI=1S/C28H31F2N5O4S/c1-4-40(37,38)32-19-6-8-25(39-26-7-5-18(29)13-24(26)30)21(14-19)23-17-34(3)28(36)27-22(23)15-20(31-27)16-35-11-9-33(2)10-12-35/h5-8,13-15,17,31-32H,4,9-12,16H2,1-3H3
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0.800n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
A time-resolved fluorescence resonance energy transfer (TR-FRET) assay was used to determine the affinities of compounds of the Examples listed in Ta...


US Patent US9296741 (2016)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 (BRD4)


(Homo sapiens (Human))
BDBM220482
PNG
(US9296741, 71)
Show SMILES CCOC(=O)c1cc2c(cn(C)c(=O)c2[nH]1)-c1cc(NS(C)(=O)=O)ccc1Oc1ccccc1
Show InChI InChI=1S/C24H23N3O6S/c1-4-32-24(29)20-13-18-19(14-27(2)23(28)22(18)25-20)17-12-15(26-34(3,30)31)10-11-21(17)33-16-8-6-5-7-9-16/h5-14,25-26H,4H2,1-3H3
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0.810n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
A time-resolved fluorescence resonance energy transfer (TR-FRET) assay was used to determine the affinities of compounds of the Examples listed in Ta...


US Patent US9296741 (2016)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 (BRD4)


(Homo sapiens (Human))
BDBM220626
PNG
(US9296741, 215)
Show SMILES Cn1cc(-c2cc(ccc2OC2CCCCC2)S(C)(=O)=O)c2cc[nH]c2c1=O
Show InChI InChI=1S/C21H24N2O4S/c1-23-13-18(16-10-11-22-20(16)21(23)24)17-12-15(28(2,25)26)8-9-19(17)27-14-6-4-3-5-7-14/h8-14,22H,3-7H2,1-2H3
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0.830n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
A time-resolved fluorescence resonance energy transfer (TR-FRET) assay was used to determine the affinities of compounds of the Examples listed in Ta...


US Patent US9296741 (2016)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 (BRD4)


(Homo sapiens (Human))
BDBM220660
PNG
(US9296741, 249)
Show SMILES Cn1cc(-c2cc(ccc2OCC2CC2)S(N)(=O)=O)c2cc[nH]c2c1=O
Show InChI InChI=1S/C18H19N3O4S/c1-21-9-15(13-6-7-20-17(13)18(21)22)14-8-12(26(19,23)24)4-5-16(14)25-10-11-2-3-11/h4-9,11,20H,2-3,10H2,1H3,(H2,19,23,24)
PDB

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0.830n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
A time-resolved fluorescence resonance energy transfer (TR-FRET) assay was used to determine the affinities of compounds of the Examples listed in Ta...


US Patent US9296741 (2016)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 (BRD4)


(Homo sapiens (Human))
BDBM220470
PNG
(US9296741, 59)
Show SMILES Cn1cc(-c2cc(NS(C)(=O)=O)ccc2OC2CCC(F)(F)CC2)c2cc[nH]c2c1=O
Show InChI InChI=1S/C21H23F2N3O4S/c1-26-12-17(15-7-10-24-19(15)20(26)27)16-11-13(25-31(2,28)29)3-4-18(16)30-14-5-8-21(22,23)9-6-14/h3-4,7,10-12,14,24-25H,5-6,8-9H2,1-2H3
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0.840n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
A time-resolved fluorescence resonance energy transfer (TR-FRET) assay was used to determine the affinities of compounds of the Examples listed in Ta...


US Patent US9296741 (2016)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 (BRD4)


(Homo sapiens (Human))
BDBM220611
PNG
(US9296741, 200)
Show SMILES CCS(=O)(=O)c1ccc(NCC2CC2)c(c1)-c1cn(C)c(=O)c2[nH]ccc12
Show InChI InChI=1S/C20H23N3O3S/c1-3-27(25,26)14-6-7-18(22-11-13-4-5-13)16(10-14)17-12-23(2)20(24)19-15(17)8-9-21-19/h6-10,12-13,21-22H,3-5,11H2,1-2H3
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0.860n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
A time-resolved fluorescence resonance energy transfer (TR-FRET) assay was used to determine the affinities of compounds of the Examples listed in Ta...


US Patent US9296741 (2016)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 (BRD4)


(Homo sapiens (Human))
BDBM220749
PNG
(US9296741, 338)
Show SMILES CCS(=O)(=O)Nc1ccc(Oc2ccc(F)cc2F)c(c1)-c1cn(C)c(=O)c2[nH]c(cc12)C(=O)N1CCN(C)CC1
Show InChI InChI=1S/C28H29F2N5O5S/c1-4-41(38,39)32-18-6-8-24(40-25-7-5-17(29)13-22(25)30)19(14-18)21-16-34(3)28(37)26-20(21)15-23(31-26)27(36)35-11-9-33(2)10-12-35/h5-8,13-16,31-32H,4,9-12H2,1-3H3
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0.860n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
A time-resolved fluorescence resonance energy transfer (TR-FRET) assay was used to determine the affinities of compounds of the Examples listed in Ta...


US Patent US9296741 (2016)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 (BRD4)


(Homo sapiens (Human))
BDBM220580
PNG
(US9296741, 169)
Show SMILES CCS(=O)(=O)c1ccc(OC2CCC(F)(F)CC2)c(c1)-c1cn(C)c(=O)c2[nH]ccc12
Show InChI InChI=1S/C22H24F2N2O4S/c1-3-31(28,29)15-4-5-19(30-14-6-9-22(23,24)10-7-14)17(12-15)18-13-26(2)21(27)20-16(18)8-11-25-20/h4-5,8,11-14,25H,3,6-7,9-10H2,1-2H3
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0.860n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
A time-resolved fluorescence resonance energy transfer (TR-FRET) assay was used to determine the affinities of compounds of the Examples listed in Ta...


US Patent US9296741 (2016)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 (BRD4)


(Homo sapiens (Human))
BDBM220518
PNG
(US9296741, 107)
Show SMILES Cn1cc(-c2cc(NS(=O)(=O)CC(F)(F)F)ccc2OC2CCCOC2)c2cc[nH]c2c1=O
Show InChI InChI=1/C21H22F3N3O5S/c1-27-10-17(15-6-7-25-19(15)20(27)28)16-9-13(26-33(29,30)12-21(22,23)24)4-5-18(16)32-14-3-2-8-31-11-14/h4-7,9-10,14,25-26H,2-3,8,11-12H2,1H3
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0.870n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
A time-resolved fluorescence resonance energy transfer (TR-FRET) assay was used to determine the affinities of compounds of the Examples listed in Ta...


US Patent US9296741 (2016)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 (BRD4)


(Homo sapiens (Human))
BDBM220468
PNG
(US9296741, 57)
Show SMILES Cn1cc(-c2cc(NS(C)(=O)=O)ccc2OC2CCCCC2)c2cc[nH]c2c1=O
Show InChI InChI=1S/C21H25N3O4S/c1-24-13-18(16-10-11-22-20(16)21(24)25)17-12-14(23-29(2,26)27)8-9-19(17)28-15-6-4-3-5-7-15/h8-13,15,22-23H,3-7H2,1-2H3
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0.880n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
A time-resolved fluorescence resonance energy transfer (TR-FRET) assay was used to determine the affinities of compounds of the Examples listed in Ta...


US Patent US9296741 (2016)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 (BRD4)


(Homo sapiens (Human))
BDBM220580
PNG
(US9296741, 169)
Show SMILES CCS(=O)(=O)c1ccc(OC2CCC(F)(F)CC2)c(c1)-c1cn(C)c(=O)c2[nH]ccc12
Show InChI InChI=1S/C22H24F2N2O4S/c1-3-31(28,29)15-4-5-19(30-14-6-9-22(23,24)10-7-14)17(12-15)18-13-26(2)21(27)20-16(18)8-11-25-20/h4-5,8,11-14,25H,3,6-7,9-10H2,1-2H3
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0.880n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
A time-resolved fluorescence resonance energy transfer (TR-FRET) assay was used to determine the affinities of compounds of the Examples listed in Ta...


US Patent US9296741 (2016)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 (BRD4)


(Homo sapiens (Human))
BDBM220484
PNG
(US9296741, 73)
Show SMILES Cn1cc(-c2cc(NS(C)(=O)=O)ccc2Oc2ccccc2)c2cc([nH]c2c1=O)C(N)=O
Show InChI InChI=1S/C22H20N4O5S/c1-26-12-17(16-11-18(21(23)27)24-20(16)22(26)28)15-10-13(25-32(2,29)30)8-9-19(15)31-14-6-4-3-5-7-14/h3-12,24-25H,1-2H3,(H2,23,27)
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0.980n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
A time-resolved fluorescence resonance energy transfer (TR-FRET) assay was used to determine the affinities of compounds of the Examples listed in Ta...


US Patent US9296741 (2016)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 (BRD4)


(Homo sapiens (Human))
BDBM220492
PNG
(US9296741, 81)
Show SMILES CCNC(=O)c1cc2c(nn(C)c(=O)c2[nH]1)-c1cc(NS(C)(=O)=O)ccc1Oc1ccccc1
Show InChI InChI=1S/C23H23N5O5S/c1-4-24-22(29)18-13-17-20(26-28(2)23(30)21(17)25-18)16-12-14(27-34(3,31)32)10-11-19(16)33-15-8-6-5-7-9-15/h5-13,25,27H,4H2,1-3H3,(H,24,29)
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0.990n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
A time-resolved fluorescence resonance energy transfer (TR-FRET) assay was used to determine the affinities of compounds of the Examples listed in Ta...


US Patent US9296741 (2016)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 (BRD4)


(Homo sapiens (Human))
BDBM220671
PNG
(US9296741, 260)
Show SMILES CCS(=O)(=O)c1ccc(O[C@H]2CC[C@@H](CC2)OC)c(c1)-c1cn(C)c(=O)c2[nH]ccc12
Show InChI InChI=1S/C23H28N2O5S/c1-4-31(27,28)17-9-10-21(30-16-7-5-15(29-3)6-8-16)19(13-17)20-14-25(2)23(26)22-18(20)11-12-24-22/h9-16,24H,4-8H2,1-3H3/t15-,16-
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1n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
A time-resolved fluorescence resonance energy transfer (TR-FRET) assay was used to determine the affinities of compounds of the Examples listed in Ta...


US Patent US9296741 (2016)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 (BRD4)


(Homo sapiens (Human))
BDBM220433
PNG
(US9296741, 22)
Show SMILES CN(C)S(=O)(=O)Nc1ccc(Oc2ccccc2)c(c1)-c1cn(C)c(=O)c2[nH]ccc12
Show InChI InChI=1S/C22H22N4O4S/c1-25(2)31(28,29)24-15-9-10-20(30-16-7-5-4-6-8-16)18(13-15)19-14-26(3)22(27)21-17(19)11-12-23-21/h4-14,23-24H,1-3H3
PDB

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



AbbVie Inc.

US Patent


Assay Description
A time-resolved fluorescence resonance energy transfer (TR-FRET) assay was used to determine the affinities of compounds of the Examples listed in Ta...


US Patent US9296741 (2016)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 (BRD4)


(Homo sapiens (Human))
BDBM220506
PNG
(US9296741, 95)
Show SMILES Cn1cc(-c2cc(ccc2Oc2ccccc2)S(N)(=O)=O)c2cc[nH]c2c1=O
Show InChI InChI=1S/C20H17N3O4S/c1-23-12-17(15-9-10-22-19(15)20(23)24)16-11-14(28(21,25)26)7-8-18(16)27-13-5-3-2-4-6-13/h2-12,22H,1H3,(H2,21,25,26)
PDB

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AbbVie Inc.

US Patent


Assay Description
A time-resolved fluorescence resonance energy transfer (TR-FRET) assay was used to determine the affinities of compounds of the Examples listed in Ta...


US Patent US9296741 (2016)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 (BRD4)


(Homo sapiens (Human))
BDBM220507
PNG
(US9296741, 96)
Show SMILES Cn1cc(-c2cc(cnc2NC2CCCCC2)S(N)(=O)=O)c2cc[nH]c2c1=O
Show InChI InChI=1S/C19H23N5O3S/c1-24-11-16(14-7-8-21-17(14)19(24)25)15-9-13(28(20,26)27)10-22-18(15)23-12-5-3-2-4-6-12/h7-12,21H,2-6H2,1H3,(H,22,23)(H2,20,26,27)
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1.10n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
A time-resolved fluorescence resonance energy transfer (TR-FRET) assay was used to determine the affinities of compounds of the Examples listed in Ta...


US Patent US9296741 (2016)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 (BRD4)


(Homo sapiens (Human))
BDBM220649
PNG
(US9296741, 238)
Show SMILES Cn1cc(-c2cc(ccc2NCC2CC2)S(N)(=O)=O)c2cc[nH]c2c1=O
Show InChI InChI=1S/C18H20N4O3S/c1-22-10-15(13-6-7-20-17(13)18(22)23)14-8-12(26(19,24)25)4-5-16(14)21-9-11-2-3-11/h4-8,10-11,20-21H,2-3,9H2,1H3,(H2,19,24,25)
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AbbVie Inc.

US Patent


Assay Description
A time-resolved fluorescence resonance energy transfer (TR-FRET) assay was used to determine the affinities of compounds of the Examples listed in Ta...


US Patent US9296741 (2016)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 (BRD4)


(Homo sapiens (Human))
BDBM220440
PNG
(US9296741, 29)
Show SMILES Cn1cc(-c2cc(NS(C)(=O)=O)ccc2OC2CCOCC2)c2cc[nH]c2c1=O
Show InChI InChI=1S/C20H23N3O5S/c1-23-12-17(15-5-8-21-19(15)20(23)24)16-11-13(22-29(2,25)26)3-4-18(16)28-14-6-9-27-10-7-14/h3-5,8,11-12,14,21-22H,6-7,9-10H2,1-2H3
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AbbVie Inc.

US Patent


Assay Description
A time-resolved fluorescence resonance energy transfer (TR-FRET) assay was used to determine the affinities of compounds of the Examples listed in Ta...


US Patent US9296741 (2016)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 (BRD4)


(Homo sapiens (Human))
BDBM220611
PNG
(US9296741, 200)
Show SMILES CCS(=O)(=O)c1ccc(NCC2CC2)c(c1)-c1cn(C)c(=O)c2[nH]ccc12
Show InChI InChI=1S/C20H23N3O3S/c1-3-27(25,26)14-6-7-18(22-11-13-4-5-13)16(10-14)17-12-23(2)20(24)19-15(17)8-9-21-19/h6-10,12-13,21-22H,3-5,11H2,1-2H3
PDB

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AbbVie Inc.

US Patent


Assay Description
A time-resolved fluorescence resonance energy transfer (TR-FRET) assay was used to determine the affinities of compounds of the Examples listed in Ta...


US Patent US9296741 (2016)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 (BRD4)


(Homo sapiens (Human))
BDBM220558
PNG
(US9296741, 147)
Show SMILES Cn1cc(-c2cc(ccc2NC2CCCCC2)S(C)(=O)=O)c2cc[nH]c2c1=O
Show InChI InChI=1S/C21H25N3O3S/c1-24-13-18(16-10-11-22-20(16)21(24)25)17-12-15(28(2,26)27)8-9-19(17)23-14-6-4-3-5-7-14/h8-14,22-23H,3-7H2,1-2H3
PDB

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AbbVie Inc.

US Patent


Assay Description
A time-resolved fluorescence resonance energy transfer (TR-FRET) assay was used to determine the affinities of compounds of the Examples listed in Ta...


US Patent US9296741 (2016)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 (BRD4)


(Homo sapiens (Human))
BDBM220483
PNG
(US9296741, 72)
Show SMILES CCNC(=O)c1cc2c(cn(C)c(=O)c2[nH]1)-c1cc(NS(C)(=O)=O)ccc1Oc1ccccc1
Show InChI InChI=1S/C24H24N4O5S/c1-4-25-23(29)20-13-18-19(14-28(2)24(30)22(18)26-20)17-12-15(27-34(3,31)32)10-11-21(17)33-16-8-6-5-7-9-16/h5-14,26-27H,4H2,1-3H3,(H,25,29)
PDB

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AbbVie Inc.

US Patent


Assay Description
A time-resolved fluorescence resonance energy transfer (TR-FRET) assay was used to determine the affinities of compounds of the Examples listed in Ta...


US Patent US9296741 (2016)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 (BRD4)


(Homo sapiens (Human))
BDBM220675
PNG
(US9296741, 264)
Show SMILES CCS(=O)(=O)c1ccc(OC2CCSCC2)c(c1)-c1cn(C)c(=O)c2[nH]ccc12
Show InChI InChI=1S/C21H24N2O4S2/c1-3-29(25,26)15-4-5-19(27-14-7-10-28-11-8-14)17(12-15)18-13-23(2)21(24)20-16(18)6-9-22-20/h4-6,9,12-14,22H,3,7-8,10-11H2,1-2H3
PDB

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1.20n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
A time-resolved fluorescence resonance energy transfer (TR-FRET) assay was used to determine the affinities of compounds of the Examples listed in Ta...


US Patent US9296741 (2016)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 (BRD4)


(Homo sapiens (Human))
BDBM220454
PNG
(US9296741, 43)
Show SMILES Cn1cc(-c2cc(ccc2Oc2ccc(F)cc2F)N2CCCS2(=O)=O)c2cc[nH]c2c1=O
Show InChI InChI=1S/C23H19F2N3O4S/c1-27-13-18(16-7-8-26-22(16)23(27)29)17-12-15(28-9-2-10-33(28,30)31)4-6-20(17)32-21-5-3-14(24)11-19(21)25/h3-8,11-13,26H,2,9-10H2,1H3
PDB

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UniChem
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US Patent
1.20n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
A time-resolved fluorescence resonance energy transfer (TR-FRET) assay was used to determine the affinities of compounds of the Examples listed in Ta...


US Patent US9296741 (2016)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 (BRD4)


(Homo sapiens (Human))
BDBM220482
PNG
(US9296741, 71)
Show SMILES CCOC(=O)c1cc2c(cn(C)c(=O)c2[nH]1)-c1cc(NS(C)(=O)=O)ccc1Oc1ccccc1
Show InChI InChI=1S/C24H23N3O6S/c1-4-32-24(29)20-13-18-19(14-27(2)23(28)22(18)25-20)17-12-15(26-34(3,30)31)10-11-21(17)33-16-8-6-5-7-9-16/h5-14,25-26H,4H2,1-3H3
PDB

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US Patent
1.20n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
A time-resolved fluorescence resonance energy transfer (TR-FRET) assay was used to determine the affinities of compounds of the Examples listed in Ta...


US Patent US9296741 (2016)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 (BRD4)


(Homo sapiens (Human))
BDBM220735
PNG
(US9296741, 324)
Show SMILES CCS(=O)(=O)Nc1cc(c(Oc2ccc(F)cc2F)cc1C#N)-c1cn(C)c(=O)c2[nH]ccc12
Show InChI InChI=1S/C23H18F2N4O4S/c1-3-34(31,32)28-19-10-16(17-12-29(2)23(30)22-15(17)6-7-27-22)21(8-13(19)11-26)33-20-5-4-14(24)9-18(20)25/h4-10,12,27-28H,3H2,1-2H3
PDB

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US Patent
1.20n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
A time-resolved fluorescence resonance energy transfer (TR-FRET) assay was used to determine the affinities of compounds of the Examples listed in Ta...


US Patent US9296741 (2016)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 (BRD4)


(Homo sapiens (Human))
BDBM220675
PNG
(US9296741, 264)
Show SMILES CCS(=O)(=O)c1ccc(OC2CCSCC2)c(c1)-c1cn(C)c(=O)c2[nH]ccc12
Show InChI InChI=1S/C21H24N2O4S2/c1-3-29(25,26)15-4-5-19(27-14-7-10-28-11-8-14)17(12-15)18-13-23(2)21(24)20-16(18)6-9-22-20/h4-6,9,12-14,22H,3,7-8,10-11H2,1-2H3
PDB

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AffyNet 
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PC sid
UniChem
AffyNet 
US Patent
1.20n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
A time-resolved fluorescence resonance energy transfer (TR-FRET) assay was used to determine the affinities of compounds of the Examples listed in Ta...


US Patent US9296741 (2016)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 (BRD4)


(Homo sapiens (Human))
BDBM220512
PNG
(US9296741, 101)
Show SMILES CCS(=O)(=O)Nc1ccc(OC2CCC(F)(F)CC2)c(c1)-c1cn(C)c(=O)c2[nH]ccc12
Show InChI InChI=1S/C22H25F2N3O4S/c1-3-32(29,30)26-14-4-5-19(31-15-6-9-22(23,24)10-7-15)17(12-14)18-13-27(2)21(28)20-16(18)8-11-25-20/h4-5,8,11-13,15,25-26H,3,6-7,9-10H2,1-2H3
PDB

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AffyNet 
PC cid
PC sid
UniChem
AffyNet 
US Patent
1.20n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
A time-resolved fluorescence resonance energy transfer (TR-FRET) assay was used to determine the affinities of compounds of the Examples listed in Ta...


US Patent US9296741 (2016)

More data for this
Ligand-Target Pair
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