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Patent code US9428514

Compile Data Set for Download or QSAR

Found 208 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Bromodomain-containing protein 4 (BRD4)


(Homo sapiens (Human))
BDBM245884
PNG
(US9428514, 72)
Show SMILES CCOc1cc(=O)n(C)cc1-c1cc(ccc1Oc1ccc(F)cc1F)N(CC1CC1)S(=O)(=O)CC
Show InChI InChI=1S/C26H28F2N2O5S/c1-4-34-25-14-26(31)29(3)16-21(25)20-13-19(30(15-17-6-7-17)36(32,33)5-2)9-11-23(20)35-24-10-8-18(27)12-22(24)28/h8-14,16-17H,4-7,15H2,1-3H3
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2.28n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
Assay method C: Compound dilution series were prepared in DMSO via an approximately 3-fold serial dilution from one of the following: 0.047 mM to 0.7...


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


(Homo sapiens (Human))
BDBM245911
PNG
(US9428514, 99)
Show SMILES CCOc1cc(=O)n(C)cc1-c1cc(ccc1Oc1ccc(F)cc1F)N(Cc1nccs1)S(=O)(=O)CC
Show InChI InChI=1S/C26H25F2N3O5S2/c1-4-35-24-14-26(32)30(3)15-20(24)19-13-18(31(38(33,34)5-2)16-25-29-10-11-37-25)7-9-22(19)36-23-8-6-17(27)12-21(23)28/h6-15H,4-5,16H2,1-3H3
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4.58n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
Assay method C: Compound dilution series were prepared in DMSO via an approximately 3-fold serial dilution from one of the following: 0.047 mM to 0.7...


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


(Homo sapiens (Human))
BDBM245847
PNG
(US9428514, 35)
Show SMILES CCOc1cc(=O)n(C)cc1-c1cc(NC(=O)COCc2ccccc2)ccc1Oc1ccc(F)cc1F
Show InChI InChI=1S/C29H26F2N2O5/c1-3-37-27-15-29(35)33(2)16-23(27)22-14-21(32-28(34)18-36-17-19-7-5-4-6-8-19)10-12-25(22)38-26-11-9-20(30)13-24(26)31/h4-16H,3,17-18H2,1-2H3,(H,32,34)
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9.36n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
Assay method B: Compound dilution series were prepared in DMSO via an approximately 3-fold serial dilution from one of the following: 0.47 mM to 7.8 ...


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


(Homo sapiens (Human))
BDBM245885
PNG
(US9428514, 73)
Show SMILES CCOc1cc(=O)n(C)cc1-c1cc(ccc1Oc1ccc(F)cc1F)N(Cc1ccccc1)S(=O)(=O)CC
Show InChI InChI=1S/C29H28F2N2O5S/c1-4-37-28-17-29(34)32(3)19-24(28)23-16-22(12-14-26(23)38-27-13-11-21(30)15-25(27)31)33(39(35,36)5-2)18-20-9-7-6-8-10-20/h6-17,19H,4-5,18H2,1-3H3
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9.66n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
Assay method C: Compound dilution series were prepared in DMSO via an approximately 3-fold serial dilution from one of the following: 0.047 mM to 0.7...


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


(Homo sapiens (Human))
BDBM245853
PNG
(US9428514, 41)
Show SMILES CCOc1cc(=O)n(C)cc1-c1cc(NC(=O)CCc2ccccc2)ccc1Oc1ccc(F)cc1F
Show InChI InChI=1S/C29H26F2N2O4/c1-3-36-27-17-29(35)33(2)18-23(27)22-16-21(32-28(34)14-9-19-7-5-4-6-8-19)11-13-25(22)37-26-12-10-20(30)15-24(26)31/h4-8,10-13,15-18H,3,9,14H2,1-2H3,(H,32,34)
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10.8n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
Assay method B: Compound dilution series were prepared in DMSO via an approximately 3-fold serial dilution from one of the following: 0.47 mM to 7.8 ...


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


(Homo sapiens (Human))
BDBM245915
PNG
(US9428514, 103)
Show SMILES CCOc1cc(=O)n(C)cc1-c1cc(ccc1Oc1ccc(F)cc1F)N(CC1CCOCC1)S(=O)(=O)CC
Show InChI InChI=1S/C28H32F2N2O6S/c1-4-37-27-16-28(33)31(3)18-23(27)22-15-21(7-9-25(22)38-26-8-6-20(29)14-24(26)30)32(39(34,35)5-2)17-19-10-12-36-13-11-19/h6-9,14-16,18-19H,4-5,10-13,17H2,1-3H3
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11.7n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
Assay method C: Compound dilution series were prepared in DMSO via an approximately 3-fold serial dilution from one of the following: 0.047 mM to 0.7...


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


(Homo sapiens (Human))
BDBM245888
PNG
(US9428514, 76)
Show SMILES CCOc1cc(=O)n(C)cc1-c1cc(ccc1Oc1ccc(F)cc1F)N(CC1CC1)S(=O)(=O)Cc1ccccc1
Show InChI InChI=1S/C31H30F2N2O5S/c1-3-39-30-17-31(36)34(2)19-26(30)25-16-24(12-14-28(25)40-29-13-11-23(32)15-27(29)33)35(18-21-9-10-21)41(37,38)20-22-7-5-4-6-8-22/h4-8,11-17,19,21H,3,9-10,18,20H2,1-2H3
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13.1n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
Assay method C: Compound dilution series were prepared in DMSO via an approximately 3-fold serial dilution from one of the following: 0.047 mM to 0.7...


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


(Homo sapiens (Human))
BDBM245886
PNG
(US9428514, 74)
Show SMILES CCOc1cc(=O)n(C)cc1-c1cc(ccc1Oc1ccc(F)cc1F)N(Cc1ccccc1Cl)S(=O)(=O)CC
Show InChI InChI=1S/C29H27ClF2N2O5S/c1-4-38-28-16-29(35)33(3)18-23(28)22-15-21(11-13-26(22)39-27-12-10-20(31)14-25(27)32)34(40(36,37)5-2)17-19-8-6-7-9-24(19)30/h6-16,18H,4-5,17H2,1-3H3
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13.5n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
Assay method C: Compound dilution series were prepared in DMSO via an approximately 3-fold serial dilution from one of the following: 0.047 mM to 0.7...


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


(Homo sapiens (Human))
BDBM245909
PNG
(US9428514, 97)
Show SMILES CCOc1cc(=O)n(C)cc1-c1cc(ccc1Oc1ccc(F)cc1F)N(Cc1cnn(C)c1)S(=O)(=O)CC
Show InChI InChI=1S/C27H28F2N4O5S/c1-5-37-26-13-27(34)31(3)17-22(26)21-12-20(8-10-24(21)38-25-9-7-19(28)11-23(25)29)33(39(35,36)6-2)16-18-14-30-32(4)15-18/h7-15,17H,5-6,16H2,1-4H3
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17.3n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
Assay method C: Compound dilution series were prepared in DMSO via an approximately 3-fold serial dilution from one of the following: 0.047 mM to 0.7...


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


(Homo sapiens (Human))
BDBM245903
PNG
(US9428514, 91)
Show SMILES CCOc1cc(=O)n(C)cc1-c1cc(ccc1Oc1ccc(F)cc1F)N(Cc1cccnc1)S(=O)(=O)CC
Show InChI InChI=1S/C28H27F2N3O5S/c1-4-37-27-15-28(34)32(3)18-23(27)22-14-21(9-11-25(22)38-26-10-8-20(29)13-24(26)30)33(39(35,36)5-2)17-19-7-6-12-31-16-19/h6-16,18H,4-5,17H2,1-3H3
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17.6n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
Assay method C: Compound dilution series were prepared in DMSO via an approximately 3-fold serial dilution from one of the following: 0.047 mM to 0.7...


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


(Homo sapiens (Human))
BDBM245893
PNG
(US9428514, 81)
Show SMILES CCOc1cc(=O)n(C)cc1-c1cc(NC(=O)Cn2ccc(n2)-c2ccccc2)ccc1Oc1ccc(F)cc1F
Show InChI InChI=1S/C31H26F2N4O4/c1-3-40-29-17-31(39)36(2)18-24(29)23-16-22(10-12-27(23)41-28-11-9-21(32)15-25(28)33)34-30(38)19-37-14-13-26(35-37)20-7-5-4-6-8-20/h4-18H,3,19H2,1-2H3,(H,34,38)
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21.9n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
Assay method C: Compound dilution series were prepared in DMSO via an approximately 3-fold serial dilution from one of the following: 0.047 mM to 0.7...


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


(Homo sapiens (Human))
BDBM245898
PNG
(US9428514, 86)
Show SMILES CCOc1cc(=O)n(C)cc1-c1cc(NC(=O)Cn2nc(C)cc2C)ccc1Oc1ccc(F)cc1F
Show InChI InChI=1S/C27H26F2N4O4/c1-5-36-25-13-27(35)32(4)14-21(25)20-12-19(30-26(34)15-33-17(3)10-16(2)31-33)7-9-23(20)37-24-8-6-18(28)11-22(24)29/h6-14H,5,15H2,1-4H3,(H,30,34)
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22.6n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
Assay method C: Compound dilution series were prepared in DMSO via an approximately 3-fold serial dilution from one of the following: 0.047 mM to 0.7...


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


(Homo sapiens (Human))
BDBM245914
PNG
(US9428514, 102)
Show SMILES CCOc1cc(=O)n(C)cc1-c1cc(ccc1Oc1ccc(F)cc1F)N(C[C@H]1COCCO1)S(=O)(=O)CC
Show InChI InChI=1S/C27H30F2N2O7S/c1-4-36-26-14-27(32)30(3)16-22(26)21-13-19(7-9-24(21)38-25-8-6-18(28)12-23(25)29)31(39(33,34)5-2)15-20-17-35-10-11-37-20/h6-9,12-14,16,20H,4-5,10-11,15,17H2,1-3H3/t20-/m0/s1
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23.7n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
Assay method C: Compound dilution series were prepared in DMSO via an approximately 3-fold serial dilution from one of the following: 0.047 mM to 0.7...


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


(Homo sapiens (Human))
BDBM245916
PNG
(US9428514, 104)
Show SMILES CCOc1cc(=O)n(C)cc1-c1cc(ccc1Oc1ccc(F)cc1F)N(CCC1CCOCC1)S(=O)(=O)CC
Show InChI InChI=1S/C29H34F2N2O6S/c1-4-38-28-18-29(34)32(3)19-24(28)23-17-22(7-9-26(23)39-27-8-6-21(30)16-25(27)31)33(40(35,36)5-2)13-10-20-11-14-37-15-12-20/h6-9,16-20H,4-5,10-15H2,1-3H3
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23.9n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
Assay method C: Compound dilution series were prepared in DMSO via an approximately 3-fold serial dilution from one of the following: 0.047 mM to 0.7...


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


(Homo sapiens (Human))
BDBM245813
PNG
(US9428514, 1)
Show SMILES CCOc1cc(=O)n(C)cc1-c1cc(NC(=O)Cc2cc(F)ccc2Cl)ccc1Oc1ccc(F)cc1F
Show InChI InChI=1S/C28H22ClF3N2O4/c1-3-37-26-14-28(36)34(2)15-21(26)20-13-19(33-27(35)11-16-10-17(30)4-7-22(16)29)6-9-24(20)38-25-8-5-18(31)12-23(25)32/h4-10,12-15H,3,11H2,1-2H3,(H,33,35)
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24.6n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
Assay method B: Compound dilution series were prepared in DMSO via an approximately 3-fold serial dilution from one of the following: 0.47 mM to 7.8 ...


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


(Homo sapiens (Human))
BDBM245828
PNG
(US9428514, 16)
Show SMILES CCOc1cc(=O)n(C)cc1-c1cc(NC(=O)Nc2ccc(C)cc2C)ccc1Oc1ccc(F)cc1F
Show InChI InChI=1S/C29H27F2N3O4/c1-5-37-27-15-28(35)34(4)16-22(27)21-14-20(32-29(36)33-24-9-6-17(2)12-18(24)3)8-11-25(21)38-26-10-7-19(30)13-23(26)31/h6-16H,5H2,1-4H3,(H2,32,33,36)
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28.2n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
Assay method B: Compound dilution series were prepared in DMSO via an approximately 3-fold serial dilution from one of the following: 0.47 mM to 7.8 ...


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


(Homo sapiens (Human))
BDBM245907
PNG
(US9428514, 95)
Show SMILES CCOc1cc(=O)n(C)cc1-c1cc(ccc1Oc1ccc(F)cc1F)N(Cc1cnccn1)S(=O)(=O)CC
Show InChI InChI=1S/C27H26F2N4O5S/c1-4-37-26-14-27(34)32(3)17-22(26)21-13-20(7-9-24(21)38-25-8-6-18(28)12-23(25)29)33(39(35,36)5-2)16-19-15-30-10-11-31-19/h6-15,17H,4-5,16H2,1-3H3
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28.9n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
Assay method C: Compound dilution series were prepared in DMSO via an approximately 3-fold serial dilution from one of the following: 0.047 mM to 0.7...


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


(Homo sapiens (Human))
BDBM245912
PNG
(US9428514, 100)
Show SMILES CCOc1cc(=O)n(C)cc1-c1cc(ccc1Oc1ccc(F)cc1F)N(Cc1cn(C)cn1)S(=O)(=O)CC
Show InChI InChI=1S/C27H28F2N4O5S/c1-5-37-26-13-27(34)32(4)16-22(26)21-12-20(8-10-24(21)38-25-9-7-18(28)11-23(25)29)33(39(35,36)6-2)15-19-14-31(3)17-30-19/h7-14,16-17H,5-6,15H2,1-4H3
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34.6n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
Assay method C: Compound dilution series were prepared in DMSO via an approximately 3-fold serial dilution from one of the following: 0.047 mM to 0.7...


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


(Homo sapiens (Human))
BDBM245895
PNG
(US9428514, 83)
Show SMILES CCOc1cc(=O)n(C)cc1-c1cc(NC(=O)Cc2csc(C)n2)ccc1Oc1ccc(F)cc1F
Show InChI InChI=1S/C26H23F2N3O4S/c1-4-34-24-12-26(33)31(3)13-20(24)19-10-17(30-25(32)11-18-14-36-15(2)29-18)6-8-22(19)35-23-7-5-16(27)9-21(23)28/h5-10,12-14H,4,11H2,1-3H3,(H,30,32)
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36.5n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
Assay method C: Compound dilution series were prepared in DMSO via an approximately 3-fold serial dilution from one of the following: 0.047 mM to 0.7...


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


(Homo sapiens (Human))
BDBM245839
PNG
(US9428514, 27)
Show SMILES CCOc1cc(=O)n(C)cc1-c1cc(NC(=O)CCS(=O)(=O)c2ccccc2)ccc1Oc1ccc(F)cc1F
Show InChI InChI=1S/C29H26F2N2O6S/c1-3-38-27-17-29(35)33(2)18-23(27)22-16-20(10-12-25(22)39-26-11-9-19(30)15-24(26)31)32-28(34)13-14-40(36,37)21-7-5-4-6-8-21/h4-12,15-18H,3,13-14H2,1-2H3,(H,32,34)
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36.5n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
Assay method B: Compound dilution series were prepared in DMSO via an approximately 3-fold serial dilution from one of the following: 0.47 mM to 7.8 ...


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


(Homo sapiens (Human))
BDBM245845
PNG
(US9428514, 33)
Show SMILES CCOc1cc(=O)n(C)cc1-c1cc(NC(=O)COc2ccc(C)cc2)ccc1Oc1ccc(F)cc1F
Show InChI InChI=1S/C29H26F2N2O5/c1-4-36-27-15-29(35)33(3)16-23(27)22-14-20(32-28(34)17-37-21-9-5-18(2)6-10-21)8-12-25(22)38-26-11-7-19(30)13-24(26)31/h5-16H,4,17H2,1-3H3,(H,32,34)
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36.9n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
Assay method B: Compound dilution series were prepared in DMSO via an approximately 3-fold serial dilution from one of the following: 0.47 mM to 7.8 ...


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


(Homo sapiens (Human))
BDBM245878
PNG
(US9428514, 66)
Show SMILES CCOc1cc(=O)n(C)cc1-c1cc(ccc1Oc1ccc(F)cc1F)N(CC1CC1)S(=O)(=O)Cc1cc(F)ccc1Cl
Show InChI InChI=1S/C31H28ClF3N2O5S/c1-3-41-30-15-31(38)36(2)17-25(30)24-14-23(8-11-28(24)42-29-10-7-22(34)13-27(29)35)37(16-19-4-5-19)43(39,40)18-20-12-21(33)6-9-26(20)32/h6-15,17,19H,3-5,16,18H2,1-2H3
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UniChem
US Patent
38.4n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
Assay method C: Compound dilution series were prepared in DMSO via an approximately 3-fold serial dilution from one of the following: 0.047 mM to 0.7...


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


(Homo sapiens (Human))
BDBM245851
PNG
(US9428514, 39)
Show SMILES CCOc1cc(=O)n(C)cc1-c1cc(NC(=O)Cc2ccc3ccccc3c2)ccc1Oc1ccc(F)cc1F
Show InChI InChI=1S/C32H26F2N2O4/c1-3-39-30-18-32(38)36(2)19-26(30)25-17-24(11-13-28(25)40-29-12-10-23(33)16-27(29)34)35-31(37)15-20-8-9-21-6-4-5-7-22(21)14-20/h4-14,16-19H,3,15H2,1-2H3,(H,35,37)
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38.8n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
Assay method B: Compound dilution series were prepared in DMSO via an approximately 3-fold serial dilution from one of the following: 0.47 mM to 7.8 ...


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


(Homo sapiens (Human))
BDBM245842
PNG
(US9428514, 30)
Show SMILES CCOc1cc(=O)n(C)cc1-c1cc(NC(=O)CCOc2ccccc2)ccc1Oc1ccc(F)cc1F
Show InChI InChI=1S/C29H26F2N2O5/c1-3-36-27-17-29(35)33(2)18-23(27)22-16-20(32-28(34)13-14-37-21-7-5-4-6-8-21)10-12-25(22)38-26-11-9-19(30)15-24(26)31/h4-12,15-18H,3,13-14H2,1-2H3,(H,32,34)
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38.9n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
Assay method B: Compound dilution series were prepared in DMSO via an approximately 3-fold serial dilution from one of the following: 0.47 mM to 7.8 ...


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


(Homo sapiens (Human))
BDBM245902
PNG
(US9428514, 90)
Show SMILES CCOc1cc(=O)n(C)cc1-c1cc(ccc1Oc1ccc(F)cc1F)N(Cc1nccs1)S(=O)(=O)Cc1ccccc1
Show InChI InChI=1S/C31H27F2N3O5S2/c1-3-40-29-17-31(37)35(2)18-25(29)24-16-23(10-12-27(24)41-28-11-9-22(32)15-26(28)33)36(19-30-34-13-14-42-30)43(38,39)20-21-7-5-4-6-8-21/h4-18H,3,19-20H2,1-2H3
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44.4n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
Assay method C: Compound dilution series were prepared in DMSO via an approximately 3-fold serial dilution from one of the following: 0.047 mM to 0.7...


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


(Homo sapiens (Human))
BDBM245860
PNG
(US9428514, 48)
Show SMILES CCOc1cc(=O)n(C)cc1-c1cc(NC(=O)CC2CCCCC2)ccc1Oc1ccc(F)cc1F
Show InChI InChI=1S/C28H30F2N2O4/c1-3-35-26-16-28(34)32(2)17-22(26)21-15-20(31-27(33)13-18-7-5-4-6-8-18)10-12-24(21)36-25-11-9-19(29)14-23(25)30/h9-12,14-18H,3-8,13H2,1-2H3,(H,31,33)
PDB

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46.8n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
Assay method B: Compound dilution series were prepared in DMSO via an approximately 3-fold serial dilution from one of the following: 0.47 mM to 7.8 ...


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


(Homo sapiens (Human))
BDBM245858
PNG
(US9428514, 46)
Show SMILES CCOc1cc(=O)n(C)cc1-c1cc(NC(=O)Cc2ccccc2OC)ccc1Oc1ccc(F)cc1F
Show InChI InChI=1S/C29H26F2N2O5/c1-4-37-27-16-29(35)33(2)17-22(27)21-15-20(32-28(34)13-18-7-5-6-8-24(18)36-3)10-12-25(21)38-26-11-9-19(30)14-23(26)31/h5-12,14-17H,4,13H2,1-3H3,(H,32,34)
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47.7n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
Assay method B: Compound dilution series were prepared in DMSO via an approximately 3-fold serial dilution from one of the following: 0.47 mM to 7.8 ...


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


(Homo sapiens (Human))
BDBM245887
PNG
(US9428514, 75)
Show SMILES CCOc1cc(=O)n(C)cc1-c1cc(ccc1Oc1ccc(F)cc1F)N(CCc1ccccc1)S(=O)(=O)CC
Show InChI InChI=1S/C30H30F2N2O5S/c1-4-38-29-19-30(35)33(3)20-25(29)24-18-23(12-14-27(24)39-28-13-11-22(31)17-26(28)32)34(40(36,37)5-2)16-15-21-9-7-6-8-10-21/h6-14,17-20H,4-5,15-16H2,1-3H3
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47.8n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
Assay method C: Compound dilution series were prepared in DMSO via an approximately 3-fold serial dilution from one of the following: 0.047 mM to 0.7...


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


(Homo sapiens (Human))
BDBM245841
PNG
(US9428514, 29)
Show SMILES CCOc1cc(=O)n(C)cc1-c1cc(NC(=O)Cc2ccc(cc2)S(C)(=O)=O)ccc1Oc1ccc(F)cc1F
Show InChI InChI=1S/C29H26F2N2O6S/c1-4-38-27-16-29(35)33(2)17-23(27)22-15-20(8-12-25(22)39-26-11-7-19(30)14-24(26)31)32-28(34)13-18-5-9-21(10-6-18)40(3,36)37/h5-12,14-17H,4,13H2,1-3H3,(H,32,34)
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50.7n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
Assay method B: Compound dilution series were prepared in DMSO via an approximately 3-fold serial dilution from one of the following: 0.47 mM to 7.8 ...


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


(Homo sapiens (Human))
BDBM245840
PNG
(US9428514, 28)
Show SMILES CCOc1cc(=O)n(C)cc1-c1cc(NC(=O)Cc2cccc(Oc3ccccc3)c2)ccc1Oc1ccc(F)cc1F
Show InChI InChI=1S/C34H28F2N2O5/c1-3-41-32-20-34(40)38(2)21-28(32)27-19-24(13-15-30(27)43-31-14-12-23(35)18-29(31)36)37-33(39)17-22-8-7-11-26(16-22)42-25-9-5-4-6-10-25/h4-16,18-21H,3,17H2,1-2H3,(H,37,39)
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54.1n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
Assay method B: Compound dilution series were prepared in DMSO via an approximately 3-fold serial dilution from one of the following: 0.47 mM to 7.8 ...


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


(Homo sapiens (Human))
BDBM245852
PNG
(US9428514, 40)
Show SMILES CCOc1cc(=O)n(C)cc1-c1cc(NC(=O)CCCC(=O)Nc2ccccc2)ccc1Oc1ccc(F)cc1F
Show InChI InChI=1S/C31H29F2N3O5/c1-3-40-28-18-31(39)36(2)19-24(28)23-17-22(13-15-26(23)41-27-14-12-20(32)16-25(27)33)35-30(38)11-7-10-29(37)34-21-8-5-4-6-9-21/h4-6,8-9,12-19H,3,7,10-11H2,1-2H3,(H,34,37)(H,35,38)
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54.2n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
Assay method B: Compound dilution series were prepared in DMSO via an approximately 3-fold serial dilution from one of the following: 0.47 mM to 7.8 ...


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


(Homo sapiens (Human))
BDBM245892
PNG
(US9428514, 80)
Show SMILES CCOc1cc(=O)n(C)cc1-c1cc(ccc1Oc1ccc(F)cc1F)N(CCc1ccccc1Cl)S(=O)(=O)CC
Show InChI InChI=1S/C30H29ClF2N2O5S/c1-4-39-29-18-30(36)34(3)19-24(29)23-17-22(11-13-27(23)40-28-12-10-21(32)16-26(28)33)35(41(37,38)5-2)15-14-20-8-6-7-9-25(20)31/h6-13,16-19H,4-5,14-15H2,1-3H3
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56.1n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
Assay method C: Compound dilution series were prepared in DMSO via an approximately 3-fold serial dilution from one of the following: 0.047 mM to 0.7...


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


(Homo sapiens (Human))
BDBM245905
PNG
(US9428514, 93)
Show SMILES CCOc1cc(=O)n(C)cc1-c1cc(ccc1Oc1ccc(F)cc1F)N(Cc1cncnc1)S(=O)(=O)CC
Show InChI InChI=1S/C27H26F2N4O5S/c1-4-37-26-12-27(34)32(3)16-22(26)21-11-20(7-9-24(21)38-25-8-6-19(28)10-23(25)29)33(39(35,36)5-2)15-18-13-30-17-31-14-18/h6-14,16-17H,4-5,15H2,1-3H3
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56.3n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
Assay method C: Compound dilution series were prepared in DMSO via an approximately 3-fold serial dilution from one of the following: 0.047 mM to 0.7...


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


(Homo sapiens (Human))
BDBM245859
PNG
(US9428514, 47)
Show SMILES CCOc1cc(=O)n(C)cc1-c1cc(NC(=O)CNC(=O)c2ccccc2)ccc1Oc1ccc(F)cc1F
Show InChI InChI=1S/C29H25F2N3O5/c1-3-38-26-15-28(36)34(2)17-22(26)21-14-20(10-12-24(21)39-25-11-9-19(30)13-23(25)31)33-27(35)16-32-29(37)18-7-5-4-6-8-18/h4-15,17H,3,16H2,1-2H3,(H,32,37)(H,33,35)
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56.7n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
Assay method B: Compound dilution series were prepared in DMSO via an approximately 3-fold serial dilution from one of the following: 0.47 mM to 7.8 ...


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


(Homo sapiens (Human))
BDBM245843
PNG
(US9428514, 31)
Show SMILES CCOc1cc(=O)n(C)cc1-c1cc(NC(=O)Cc2cccc3ccccc23)ccc1Oc1ccc(F)cc1F
Show InChI InChI=1S/C32H26F2N2O4/c1-3-39-30-18-32(38)36(2)19-26(30)25-17-23(12-14-28(25)40-29-13-11-22(33)16-27(29)34)35-31(37)15-21-9-6-8-20-7-4-5-10-24(20)21/h4-14,16-19H,3,15H2,1-2H3,(H,35,37)
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57.9n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
Assay method B: Compound dilution series were prepared in DMSO via an approximately 3-fold serial dilution from one of the following: 0.47 mM to 7.8 ...


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


(Homo sapiens (Human))
BDBM245868
PNG
(US9428514, 56)
Show SMILES CCOc1cc(=O)n(C)cc1-c1cc(NCc2ccc(cc2)C#N)ccc1Oc1ccc(F)cc1F
Show InChI InChI=1S/C28H23F2N3O3/c1-3-35-27-14-28(34)33(2)17-23(27)22-13-21(32-16-19-6-4-18(15-31)5-7-19)9-11-25(22)36-26-10-8-20(29)12-24(26)30/h4-14,17,32H,3,16H2,1-2H3
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60.1n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
Assay method B: Compound dilution series were prepared in DMSO via an approximately 3-fold serial dilution from one of the following: 0.47 mM to 7.8 ...


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


(Homo sapiens (Human))
BDBM245884
PNG
(US9428514, 72)
Show SMILES CCOc1cc(=O)n(C)cc1-c1cc(ccc1Oc1ccc(F)cc1F)N(CC1CC1)S(=O)(=O)CC
Show InChI InChI=1S/C26H28F2N2O5S/c1-4-34-25-14-26(31)29(3)16-21(25)20-13-19(30(15-17-6-7-17)36(32,33)5-2)9-11-23(20)35-24-10-8-18(27)12-22(24)28/h8-14,16-17H,4-7,15H2,1-3H3
PDB

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60.9n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
Assay method C: Compound dilution series were prepared in DMSO via an approximately 3-fold serial dilution from one of the following: 0.047 mM to 0.7...


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


(Homo sapiens (Human))
BDBM245826
PNG
(US9428514, 14)
Show SMILES CCOc1cc(=O)n(C)cc1-c1cc(NCCCC(=O)OC)ccc1Oc1ccc(F)cc1F
Show InChI InChI=1S/C25H26F2N2O5/c1-4-33-23-14-24(30)29(2)15-19(23)18-13-17(28-11-5-6-25(31)32-3)8-10-21(18)34-22-9-7-16(26)12-20(22)27/h7-10,12-15,28H,4-6,11H2,1-3H3
PDB

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61.6n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
Assay method B: Compound dilution series were prepared in DMSO via an approximately 3-fold serial dilution from one of the following: 0.47 mM to 7.8 ...


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


(Homo sapiens (Human))
BDBM245876
PNG
(US9428514, 64)
Show SMILES CCOc1cc(=O)n(C)cc1-c1cc(NCc2ccc(F)cc2)ccc1Oc1ccc(F)cc1F
Show InChI InChI=1S/C27H23F3N2O3/c1-3-34-26-14-27(33)32(2)16-22(26)21-13-20(31-15-17-4-6-18(28)7-5-17)9-11-24(21)35-25-10-8-19(29)12-23(25)30/h4-14,16,31H,3,15H2,1-2H3
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61.8n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
Assay method C: Compound dilution series were prepared in DMSO via an approximately 3-fold serial dilution from one of the following: 0.047 mM to 0.7...


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


(Homo sapiens (Human))
BDBM245894
PNG
(US9428514, 82)
Show SMILES CCOc1cc(=O)n(C)cc1-c1cc(NC(=O)Cc2cc(Cl)ccc2F)ccc1Oc1ccc(F)cc1F
Show InChI InChI=1S/C28H22ClF3N2O4/c1-3-37-26-14-28(36)34(2)15-21(26)20-13-19(33-27(35)11-16-10-17(29)4-7-22(16)31)6-9-24(20)38-25-8-5-18(30)12-23(25)32/h4-10,12-15H,3,11H2,1-2H3,(H,33,35)
PDB

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63n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
Assay method C: Compound dilution series were prepared in DMSO via an approximately 3-fold serial dilution from one of the following: 0.047 mM to 0.7...


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


(Homo sapiens (Human))
BDBM245821
PNG
(US9428514, 9)
Show SMILES CCOc1cc(=O)n(C)cc1-c1cc(NCCCn2cccn2)ccc1Oc1ccc(F)cc1F
Show InChI InChI=1S/C26H26F2N4O3/c1-3-34-25-16-26(33)31(2)17-21(25)20-15-19(29-10-4-12-32-13-5-11-30-32)7-9-23(20)35-24-8-6-18(27)14-22(24)28/h5-9,11,13-17,29H,3-4,10,12H2,1-2H3
PDB

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63.2n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
Assay method A: Compound dilution series were prepared in DMSO via an approximately 3-fold serial dilution from one of the following: 2.5 mM-797 nM. ...


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


(Homo sapiens (Human))
BDBM245817
PNG
(US9428514, 5)
Show SMILES CCOc1cc(=O)n(C)cc1-c1cc(NC(=O)Cc2ccc(C)nc2)ccc1Oc1ccc(F)cc1F
Show InChI InChI=1S/C28H25F2N3O4/c1-4-36-26-14-28(35)33(3)16-22(26)21-13-20(32-27(34)11-18-6-5-17(2)31-15-18)8-10-24(21)37-25-9-7-19(29)12-23(25)30/h5-10,12-16H,4,11H2,1-3H3,(H,32,34)
PDB

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65.5n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
Assay method C: Compound dilution series were prepared in DMSO via an approximately 3-fold serial dilution from one of the following: 0.047 mM to 0.7...


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


(Homo sapiens (Human))
BDBM245848
PNG
(US9428514, 36)
Show SMILES CCOc1cc(=O)n(C)cc1-c1cc(NC(=O)Cc2noc3ccccc23)ccc1Oc1ccc(F)cc1F
Show InChI InChI=1S/C29H23F2N3O5/c1-3-37-27-15-29(36)34(2)16-21(27)20-13-18(9-11-24(20)38-26-10-8-17(30)12-22(26)31)32-28(35)14-23-19-6-4-5-7-25(19)39-33-23/h4-13,15-16H,3,14H2,1-2H3,(H,32,35)
PDB

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66.2n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
Assay method B: Compound dilution series were prepared in DMSO via an approximately 3-fold serial dilution from one of the following: 0.47 mM to 7.8 ...


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


(Homo sapiens (Human))
BDBM245896
PNG
(US9428514, 84)
Show SMILES CCOc1cc(=O)n(C)cc1-c1cc(NC(=O)Cn2cccn2)ccc1Oc1ccc(F)cc1F
Show InChI InChI=1S/C25H22F2N4O4/c1-3-34-23-13-25(33)30(2)14-19(23)18-12-17(29-24(32)15-31-10-4-9-28-31)6-8-21(18)35-22-7-5-16(26)11-20(22)27/h4-14H,3,15H2,1-2H3,(H,29,32)
PDB

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67.5n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
Assay method C: Compound dilution series were prepared in DMSO via an approximately 3-fold serial dilution from one of the following: 0.047 mM to 0.7...


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


(Homo sapiens (Human))
BDBM245853
PNG
(US9428514, 41)
Show SMILES CCOc1cc(=O)n(C)cc1-c1cc(NC(=O)CCc2ccccc2)ccc1Oc1ccc(F)cc1F
Show InChI InChI=1S/C29H26F2N2O4/c1-3-36-27-17-29(35)33(2)18-23(27)22-16-21(32-28(34)14-9-19-7-5-4-6-8-19)11-13-25(22)37-26-12-10-20(30)15-24(26)31/h4-8,10-13,15-18H,3,9,14H2,1-2H3,(H,32,34)
PDB

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UniChem
US Patent
68.5n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
Assay method B: Compound dilution series were prepared in DMSO via an approximately 3-fold serial dilution from one of the following: 0.47 mM to 7.8 ...


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


(Homo sapiens (Human))
BDBM245849
PNG
(US9428514, 37)
Show SMILES CCOc1cc(=O)n(C)cc1-c1cc(NC(=O)Cc2ccc(Oc3ccccc3)cc2)ccc1Oc1ccc(F)cc1F
Show InChI InChI=1S/C34H28F2N2O5/c1-3-41-32-20-34(40)38(2)21-28(32)27-19-24(12-16-30(27)43-31-15-11-23(35)18-29(31)36)37-33(39)17-22-9-13-26(14-10-22)42-25-7-5-4-6-8-25/h4-16,18-21H,3,17H2,1-2H3,(H,37,39)
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US Patent
69.4n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
Assay method B: Compound dilution series were prepared in DMSO via an approximately 3-fold serial dilution from one of the following: 0.47 mM to 7.8 ...


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


(Homo sapiens (Human))
BDBM245890
PNG
(US9428514, 78)
Show SMILES CCOc1cc(=O)n(C)cc1-c1cc(ccc1Oc1ccc(F)cc1F)N(Cc1ccccc1Cl)S(=O)(=O)Cc1ccccc1
Show InChI InChI=1S/C34H29ClF2N2O5S/c1-3-43-33-19-34(40)38(2)21-28(33)27-18-26(14-16-31(27)44-32-15-13-25(36)17-30(32)37)39(20-24-11-7-8-12-29(24)35)45(41,42)22-23-9-5-4-6-10-23/h4-19,21H,3,20,22H2,1-2H3
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71.3n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
Assay method C: Compound dilution series were prepared in DMSO via an approximately 3-fold serial dilution from one of the following: 0.047 mM to 0.7...


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


(Homo sapiens (Human))
BDBM245838
PNG
(US9428514, 26)
Show SMILES CCOc1cc(=O)n(C)cc1-c1cc(NC(=O)CCCC(=O)c2ccccc2)ccc1Oc1ccc(F)cc1F
Show InChI InChI=1S/C31H28F2N2O5/c1-3-39-29-18-31(38)35(2)19-24(29)23-17-22(13-15-27(23)40-28-14-12-21(32)16-25(28)33)34-30(37)11-7-10-26(36)20-8-5-4-6-9-20/h4-6,8-9,12-19H,3,7,10-11H2,1-2H3,(H,34,37)
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71.4n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
Assay method B: Compound dilution series were prepared in DMSO via an approximately 3-fold serial dilution from one of the following: 0.47 mM to 7.8 ...


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


(Homo sapiens (Human))
BDBM245845
PNG
(US9428514, 33)
Show SMILES CCOc1cc(=O)n(C)cc1-c1cc(NC(=O)COc2ccc(C)cc2)ccc1Oc1ccc(F)cc1F
Show InChI InChI=1S/C29H26F2N2O5/c1-4-36-27-15-29(35)33(3)16-23(27)22-14-20(32-28(34)17-37-21-9-5-18(2)6-10-21)8-12-25(22)38-26-11-7-19(30)13-24(26)31/h5-16H,4,17H2,1-3H3,(H,32,34)
PDB

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US Patent
71.8n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
Assay method B: Compound dilution series were prepared in DMSO via an approximately 3-fold serial dilution from one of the following: 0.47 mM to 7.8 ...


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


(Homo sapiens (Human))
BDBM245850
PNG
(US9428514, 38)
Show SMILES CCOc1cc(=O)n(C)cc1-c1cc(NC(=O)CCCc2ccccc2)ccc1Oc1ccc(F)cc1F
Show InChI InChI=1S/C30H28F2N2O4/c1-3-37-28-18-30(36)34(2)19-24(28)23-17-22(33-29(35)11-7-10-20-8-5-4-6-9-20)13-15-26(23)38-27-14-12-21(31)16-25(27)32/h4-6,8-9,12-19H,3,7,10-11H2,1-2H3,(H,33,35)
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74.8n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
Assay method C: Compound dilution series were prepared in DMSO via an approximately 3-fold serial dilution from one of the following: 0.047 mM to 0.7...


Citation and Details
More data for this
Ligand-Target Pair
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* indicates data uncertainty>20%