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Compile Data Set for Download or QSAR

Found 453 hits of ph data with Target = 'Bromodomain-containing protein 4 (BRD4)(aa 352-457)'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Bromodomain-containing protein 4 (BRD4)(aa 352-457)


(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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0.25 -54.8n/an/an/an/an/a6.025



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)


BindingDB Entry DOI: 10.7270/Q26W98ZQ
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 (BRD4)(aa 352-457)


(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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0.460 -53.3n/an/an/an/an/a6.025



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)


BindingDB Entry DOI: 10.7270/Q26W98ZQ
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 (BRD4)(aa 352-457)


(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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0.5 -53.1n/an/an/an/an/a6.025



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)


BindingDB Entry DOI: 10.7270/Q26W98ZQ
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 (BRD4)(aa 352-457)


(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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0.510 -53.0n/an/an/an/an/a6.025



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)


BindingDB Entry DOI: 10.7270/Q26W98ZQ
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 (BRD4)(aa 352-457)


(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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0.570 -52.8n/an/an/an/an/a6.025



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)


BindingDB Entry DOI: 10.7270/Q26W98ZQ
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 (BRD4)(aa 352-457)


(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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0.650 -52.4n/an/an/an/an/a6.025



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)


BindingDB Entry DOI: 10.7270/Q26W98ZQ
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 (BRD4)(aa 352-457)


(Homo sapiens (Human))
BDBM220431
PNG
(US10633379, Compound Z | 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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0.680 -52.3n/an/an/an/an/a6.025



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)


BindingDB Entry DOI: 10.7270/Q26W98ZQ
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 (BRD4)(aa 352-457)


(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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0.75 -52.1n/an/an/an/an/a6.025



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)


BindingDB Entry DOI: 10.7270/Q26W98ZQ
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 (BRD4)(aa 352-457)


(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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0.75 -52.1n/an/an/an/an/a6.025



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)


BindingDB Entry DOI: 10.7270/Q26W98ZQ
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 (BRD4)(aa 352-457)


(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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0.780 -52.0n/an/an/an/an/a6.025



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)


BindingDB Entry DOI: 10.7270/Q26W98ZQ
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 (BRD4)(aa 352-457)


(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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0.790 -52.0n/an/an/an/an/a6.025



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)


BindingDB Entry DOI: 10.7270/Q26W98ZQ
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 (BRD4)(aa 352-457)


(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)
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0.830 -51.8n/an/an/an/an/a6.025



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)


BindingDB Entry DOI: 10.7270/Q26W98ZQ
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 (BRD4)(aa 352-457)


(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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0.860 -51.7n/an/an/an/an/a6.025



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)


BindingDB Entry DOI: 10.7270/Q26W98ZQ
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 (BRD4)(aa 352-457)


(Homo sapiens (Human))
BDBM220518
PNG
(US9296741, 107)
Show SMILES Cn1cc(-c2cc(NS(=O)(=O)CC(F)(F)F)ccc2OC2CCCOC2)c2cc[nH]c2c1=O
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0.870 -51.7n/an/an/an/an/a6.025



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)


BindingDB Entry DOI: 10.7270/Q26W98ZQ
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 (BRD4)(aa 352-457)


(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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0.990 -51.4n/an/an/an/an/a6.025



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)


BindingDB Entry DOI: 10.7270/Q26W98ZQ
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 (BRD4)(aa 352-457)


(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
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1 -51.4n/an/an/an/an/a6.025



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)


BindingDB Entry DOI: 10.7270/Q26W98ZQ
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 (BRD4)(aa 352-457)


(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
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1.10 -51.1n/an/an/an/an/a6.025



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)


BindingDB Entry DOI: 10.7270/Q26W98ZQ
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 (BRD4)(aa 352-457)


(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)
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1.10 -51.1n/an/an/an/an/a6.025



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)


BindingDB Entry DOI: 10.7270/Q26W98ZQ
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 (BRD4)(aa 352-457)


(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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1.10 -51.1n/an/an/an/an/a6.025



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)


BindingDB Entry DOI: 10.7270/Q26W98ZQ
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 (BRD4)(aa 352-457)


(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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1.10 -51.1n/an/an/an/an/a6.025



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)


BindingDB Entry DOI: 10.7270/Q26W98ZQ
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 (BRD4)(aa 352-457)


(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)
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1.10 -51.1n/an/an/an/an/a6.025



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)


BindingDB Entry DOI: 10.7270/Q26W98ZQ
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 (BRD4)(aa 352-457)


(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
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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)


BindingDB Entry DOI: 10.7270/Q26W98ZQ
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 (BRD4)(aa 352-457)


(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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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)


BindingDB Entry DOI: 10.7270/Q26W98ZQ
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 (BRD4)(aa 352-457)


(Homo sapiens (Human))
BDBM220664
PNG
(US10633379, Compound Y | US9296741, 253)
Show SMILES CCNC(=O)c1cc2c(cn(C)c(=O)c2[nH]1)-c1cc(ccc1Oc1ccc(F)cc1F)S(C)(=O)=O
Show InChI InChI=1S/C24H21F2N3O5S/c1-4-27-23(30)19-11-16-17(12-29(2)24(31)22(16)28-19)15-10-14(35(3,32)33)6-8-20(15)34-21-7-5-13(25)9-18(21)26/h5-12,28H,4H2,1-3H3,(H,27,30)
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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)


BindingDB Entry DOI: 10.7270/Q26W98ZQ
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 (BRD4)(aa 352-457)


(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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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)


BindingDB Entry DOI: 10.7270/Q26W98ZQ
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 (BRD4)(aa 352-457)


(Homo sapiens (Human))
BDBM220631
PNG
(US9296741, 220)
Show SMILES Cn1cc(-c2cc(ccc2OC2CCCCCC2)S(C)(=O)=O)c2cc[nH]c2c1=O
Show InChI InChI=1S/C22H26N2O4S/c1-24-14-19(17-11-12-23-21(17)22(24)25)18-13-16(29(2,26)27)9-10-20(18)28-15-7-5-3-4-6-8-15/h9-15,23H,3-8H2,1-2H3
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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)


BindingDB Entry DOI: 10.7270/Q26W98ZQ
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 (BRD4)(aa 352-457)


(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
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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)


BindingDB Entry DOI: 10.7270/Q26W98ZQ
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 (BRD4)(aa 352-457)


(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
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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)


BindingDB Entry DOI: 10.7270/Q26W98ZQ
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 (BRD4)(aa 352-457)


(Homo sapiens (Human))
BDBM220684
PNG
(US9296741, 273)
Show SMILES CN(C)S(=O)(=O)c1ccc(OCC2CC2)c(c1)-c1cn(C)c(=O)c2[nH]ccc12
Show InChI InChI=1S/C20H23N3O4S/c1-22(2)28(25,26)14-6-7-18(27-12-13-4-5-13)16(10-14)17-11-23(3)20(24)19-15(17)8-9-21-19/h6-11,13,21H,4-5,12H2,1-3H3
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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)


BindingDB Entry DOI: 10.7270/Q26W98ZQ
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 (BRD4)(aa 352-457)


(Homo sapiens (Human))
BDBM220659
PNG
(US9296741, 248)
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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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)


BindingDB Entry DOI: 10.7270/Q26W98ZQ
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 (BRD4)(aa 352-457)


(Homo sapiens (Human))
BDBM220622
PNG
(US9296741, 211 | US9296741, 212)
Show SMILES CCS(=O)(=O)c1ccc(OC2CCC(C)(O)CC2)c(c1)-c1cn(C)c(=O)c2[nH]ccc12
Show InChI InChI=1S/C23H28N2O5S/c1-4-31(28,29)16-5-6-20(30-15-7-10-23(2,27)11-8-15)18(13-16)19-14-25(3)22(26)21-17(19)9-12-24-21/h5-6,9,12-15,24,27H,4,7-8,10-11H2,1-3H3
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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)


BindingDB Entry DOI: 10.7270/Q26W98ZQ
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 (BRD4)(aa 352-457)


(Homo sapiens (Human))
BDBM220579
PNG
(US9296741, 168)
Show SMILES CCS(=O)(=O)c1ccc(Oc2ccc(F)cc2F)c(c1)-c1cn(C)c(=O)c2[nH]ccc12
Show InChI InChI=1S/C22H18F2N2O4S/c1-3-31(28,29)14-5-7-19(30-20-6-4-13(23)10-18(20)24)16(11-14)17-12-26(2)22(27)21-15(17)8-9-25-21/h4-12,25H,3H2,1-2H3
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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)


BindingDB Entry DOI: 10.7270/Q26W98ZQ
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 (BRD4)(aa 352-457)


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


BindingDB Entry DOI: 10.7270/Q26W98ZQ
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 (BRD4)(aa 352-457)


(Homo sapiens (Human))
BDBM220613
PNG
(US9296741, 202)
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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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)


BindingDB Entry DOI: 10.7270/Q26W98ZQ
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 (BRD4)(aa 352-457)


(Homo sapiens (Human))
BDBM220516
PNG
(US9296741, 105)
Show SMILES CCS(=O)(=O)Nc1ccc(OC2CCCOC2)c(c1)-c1cn(C)c(=O)c2[nH]ccc12
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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)


BindingDB Entry DOI: 10.7270/Q26W98ZQ
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 (BRD4)(aa 352-457)


(Homo sapiens (Human))
BDBM220661
PNG
(US9296741, 250)
Show SMILES CNS(=O)(=O)c1ccc(OCC2CC2)c(c1)-c1cn(C)c(=O)c2[nH]ccc12
Show InChI InChI=1S/C19H21N3O4S/c1-20-27(24,25)13-5-6-17(26-11-12-3-4-12)15(9-13)16-10-22(2)19(23)18-14(16)7-8-21-18/h5-10,12,20-21H,3-4,11H2,1-2H3
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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)


BindingDB Entry DOI: 10.7270/Q26W98ZQ
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 (BRD4)(aa 352-457)


(Homo sapiens (Human))
BDBM220460
PNG
(US9296741, 49)
Show SMILES Cn1cc(-c2cc(NS(C)(=O)=O)ccc2Oc2c(F)cc(F)cc2F)c2cc[nH]c2c1=O
Show InChI InChI=1S/C21H16F3N3O4S/c1-27-10-15(13-5-6-25-19(13)21(27)28)14-9-12(26-32(2,29)30)3-4-18(14)31-20-16(23)7-11(22)8-17(20)24/h3-10,25-26H,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)


BindingDB Entry DOI: 10.7270/Q26W98ZQ
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 (BRD4)(aa 352-457)


(Homo sapiens (Human))
BDBM220644
PNG
(US9296741, 233)
Show SMILES CC1CCC(CC1)Oc1ccc(cc1-c1cn(C)c(=O)c2[nH]ccc12)S(C)(=O)=O
Show InChI InChI=1S/C22H26N2O4S/c1-14-4-6-15(7-5-14)28-20-9-8-16(29(3,26)27)12-18(20)19-13-24(2)22(25)21-17(19)10-11-23-21/h8-15,23H,4-7H2,1-3H3
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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)


BindingDB Entry DOI: 10.7270/Q26W98ZQ
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 (BRD4)(aa 352-457)


(Homo sapiens (Human))
BDBM220641
PNG
(US9296741, 230)
Show SMILES Cn1cc(-c2cc(ccc2OCC2C[C@@H]3CC[C@H]2C3)S(C)(=O)=O)c2cc[nH]c2c1=O
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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)


BindingDB Entry DOI: 10.7270/Q26W98ZQ
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 (BRD4)(aa 352-457)


(Homo sapiens (Human))
BDBM220609
PNG
(US9296741, 198)
Show SMILES CCS(=O)(=O)c1ccc(OCC2CC2)c(c1)-c1cn(C)c(=O)c2[nH]ccc12
Show InChI InChI=1S/C20H22N2O4S/c1-3-27(24,25)14-6-7-18(26-12-13-4-5-13)16(10-14)17-11-22(2)20(23)19-15(17)8-9-21-19/h6-11,13,21H,3-5,12H2,1-2H3
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1.60 -50.2n/an/an/an/an/a6.025



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)


BindingDB Entry DOI: 10.7270/Q26W98ZQ
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 (BRD4)(aa 352-457)


(Homo sapiens (Human))
BDBM220672
PNG
(US9296741, 261)
Show SMILES CC(C)S(=O)(=O)c1ccc(NCC2CC2)c(c1)-c1cn(C)c(=O)c2[nH]ccc12
Show InChI InChI=1S/C21H25N3O3S/c1-13(2)28(26,27)15-6-7-19(23-11-14-4-5-14)17(10-15)18-12-24(3)21(25)20-16(18)8-9-22-20/h6-10,12-14,22-23H,4-5,11H2,1-3H3
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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)


BindingDB Entry DOI: 10.7270/Q26W98ZQ
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 (BRD4)(aa 352-457)


(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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1.60 -50.2n/an/an/an/an/a6.025



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)


BindingDB Entry DOI: 10.7270/Q26W98ZQ
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 (BRD4)(aa 352-457)


(Homo sapiens (Human))
BDBM220625
PNG
(US9296741, 214)
Show SMILES Cn1cc(-c2cc(ccc2OCC2CCCC2)S(C)(=O)=O)c2cc[nH]c2c1=O
Show InChI InChI=1S/C21H24N2O4S/c1-23-12-18(16-9-10-22-20(16)21(23)24)17-11-15(28(2,25)26)7-8-19(17)27-13-14-5-3-4-6-14/h7-12,14,22H,3-6,13H2,1-2H3
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1.70 -50.1n/an/an/an/an/a6.025



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)


BindingDB Entry DOI: 10.7270/Q26W98ZQ
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 (BRD4)(aa 352-457)


(Homo sapiens (Human))
BDBM220496
PNG
(US9296741, 85)
Show SMILES Cn1cc(-c2cc(ccc2Oc2ccccc2)S(C)(=O)=O)c2cc[nH]c2c1=O
Show InChI InChI=1S/C21H18N2O4S/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/h3-13,22H,1-2H3
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1.70 -50.1n/an/an/an/an/a6.025



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)


BindingDB Entry DOI: 10.7270/Q26W98ZQ
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 (BRD4)(aa 352-457)


(Homo sapiens (Human))
BDBM220663
PNG
(US9296741, 252)
Show SMILES Cn1cc(-c2cc(ccc2Oc2ccc(F)cc2F)S(C)(=O)=O)c2cc([nH]c2c1=O)C(N)=O
Show InChI InChI=1S/C22H17F2N3O5S/c1-27-10-15(14-9-17(21(25)28)26-20(14)22(27)29)13-8-12(33(2,30)31)4-6-18(13)32-19-5-3-11(23)7-16(19)24/h3-10,26H,1-2H3,(H2,25,28)
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1.70 -50.1n/an/an/an/an/a6.025



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)


BindingDB Entry DOI: 10.7270/Q26W98ZQ
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 (BRD4)(aa 352-457)


(Homo sapiens (Human))
BDBM220618
PNG
(US9296741, 207)
Show SMILES Cn1cc(-c2cc(cnc2OCC2CC2)S(N)(=O)=O)c2cc[nH]c2c1=O
Show InChI InChI=1S/C17H18N4O4S/c1-21-8-14(12-4-5-19-15(12)17(21)22)13-6-11(26(18,23)24)7-20-16(13)25-9-10-2-3-10/h4-8,10,19H,2-3,9H2,1H3,(H2,18,23,24)
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1.80 -49.9n/an/an/an/an/a6.025



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)


BindingDB Entry DOI: 10.7270/Q26W98ZQ
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 (BRD4)(aa 352-457)


(Homo sapiens (Human))
BDBM220627
PNG
(US9296741, 216)
Show SMILES Cn1cc(-c2cc(ccc2OC2CCCC2)S(C)(=O)=O)c2cc[nH]c2c1=O
Show InChI InChI=1S/C20H22N2O4S/c1-22-12-17(15-9-10-21-19(15)20(22)23)16-11-14(27(2,24)25)7-8-18(16)26-13-5-3-4-6-13/h7-13,21H,3-6H2,1-2H3
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1.80 -49.9n/an/an/an/an/a6.025



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)


BindingDB Entry DOI: 10.7270/Q26W98ZQ
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 (BRD4)(aa 352-457)


(Homo sapiens (Human))
BDBM220490
PNG
(US9296741, 79)
Show SMILES CN1CCN(CCNC(=O)c2cc3c(nn(C)c(=O)c3[nH]2)-c2cc(NS(C)(=O)=O)ccc2Oc2ccccc2)CC1
Show InChI InChI=1S/C28H33N7O5S/c1-33-13-15-35(16-14-33)12-11-29-27(36)23-18-22-25(31-34(2)28(37)26(22)30-23)21-17-19(32-41(3,38)39)9-10-24(21)40-20-7-5-4-6-8-20/h4-10,17-18,30,32H,11-16H2,1-3H3,(H,29,36)
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1.80 -49.9n/an/an/an/an/a6.025



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)


BindingDB Entry DOI: 10.7270/Q26W98ZQ
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 (BRD4)(aa 352-457)


(Homo sapiens (Human))
BDBM220489
PNG
(US9296741, 78)
Show SMILES Cn1nc(-c2cc(NS(C)(=O)=O)ccc2Oc2ccccc2)c2cc([nH]c2c1=O)C(N)=O
Show InChI InChI=1S/C21H19N5O5S/c1-26-21(28)19-15(11-16(23-19)20(22)27)18(24-26)14-10-12(25-32(2,29)30)8-9-17(14)31-13-6-4-3-5-7-13/h3-11,23,25H,1-2H3,(H2,22,27)
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1.80 -49.9n/an/an/an/an/a6.025



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)


BindingDB Entry DOI: 10.7270/Q26W98ZQ
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 (BRD4)(aa 352-457)


(Homo sapiens (Human))
BDBM220682
PNG
(US9296741, 271)
Show SMILES CC(C)S(=O)(=O)c1ccc(Oc2ccc(F)cc2F)c(c1)-c1cn(C)c(=O)c2[nH]ccc12
Show InChI InChI=1S/C23H20F2N2O4S/c1-13(2)32(29,30)15-5-7-20(31-21-6-4-14(24)10-19(21)25)17(11-15)18-12-27(3)23(28)22-16(18)8-9-26-22/h4-13,26H,1-3H3
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1.90 -49.8n/an/an/an/an/a6.025



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)


BindingDB Entry DOI: 10.7270/Q26W98ZQ
More data for this
Ligand-Target Pair
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