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Patent code US10633379

Compile Data Set for Download or QSAR

Found 264 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)(aa 352-457)


(Homo sapiens (Human))
BDBM439528
PNG
(US10633379, Example 64)
Show SMILES CCNC(=O)c1cc2c(cn(C)c(=O)c2[nH]1)-c1cc(c(F)cc1Oc1c(C)cccc1C)C(C)(C)O
Show InChI InChI=1S/C28H30FN3O4/c1-7-30-26(33)22-12-18-19(14-32(6)27(34)24(18)31-22)17-11-20(28(4,5)35)21(29)13-23(17)36-25-15(2)9-8-10-16(25)3/h8-14,31,35H,7H2,1-6H3,(H,30,33)
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0.400n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
Compound dilution series were prepared in DMSO via an approximately 3-fold serial dilution. Compound dilutions were added directly into white, low-vo...


US Patent US10633379 (2020)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 (BRD4)(aa 352-457)


(Homo sapiens (Human))
BDBM439590
PNG
(US10633379, Example 121)
Show SMILES Cc1cc(F)cc(C)c1Oc1ccc(cc1-c1cn(C)c(=O)c2[nH]c(cc12)C(=O)NC1CC1)C(C)(C)O
Show InChI InChI=1S/C29H30FN3O4/c1-15-10-18(30)11-16(2)26(15)37-24-9-6-17(29(3,4)36)12-20(24)22-14-33(5)28(35)25-21(22)13-23(32-25)27(34)31-19-7-8-19/h6,9-14,19,32,36H,7-8H2,1-5H3,(H,31,34)
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0.600n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
Compound dilution series were prepared in DMSO via an approximately 3-fold serial dilution. Compound dilutions were added directly into white, low-vo...


US Patent US10633379 (2020)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 (BRD4)(aa 352-457)


(Homo sapiens (Human))
BDBM439589
PNG
(US10633379, Example 120)
Show SMILES CNC(=O)c1cc2c(cn(C)c(=O)c2[nH]1)-c1cc(ccc1Oc1c(C)cc(F)cc1C)C(C)(C)O
Show InChI InChI=1S/C27H28FN3O4/c1-14-9-17(28)10-15(2)24(14)35-22-8-7-16(27(3,4)34)11-18(22)20-13-31(6)26(33)23-19(20)12-21(30-23)25(32)29-5/h7-13,30,34H,1-6H3,(H,29,32)
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0.800n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
Compound dilution series were prepared in DMSO via an approximately 3-fold serial dilution. Compound dilutions were added directly into white, low-vo...


US Patent US10633379 (2020)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 (BRD4)(aa 352-457)


(Homo sapiens (Human))
BDBM439575
PNG
(US10633379, Example 107)
Show SMILES CCNC(=O)c1cc2c(cn(C)c(=O)c2[nH]1)-c1cc(ccc1Oc1c(C)cc(cc1C)C(C)(C)O)C(C)(C)O
Show InChI InChI=1S/C31H37N3O5/c1-9-32-28(35)24-15-22-23(16-34(8)29(36)26(22)33-24)21-14-19(30(4,5)37)10-11-25(21)39-27-17(2)12-20(13-18(27)3)31(6,7)38/h10-16,33,37-38H,9H2,1-8H3,(H,32,35)
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0.800n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
Compound dilution series were prepared in DMSO via an approximately 3-fold serial dilution. Compound dilutions were added directly into white, low-vo...


US Patent US10633379 (2020)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 (BRD4)(aa 352-457)


(Homo sapiens (Human))
BDBM439516
PNG
(US10633379, Example 52)
Show SMILES CCNC(=O)c1cc2c(cn(C)c(=O)c2[nH]1)-c1cc(cnc1Oc1c(C)cc(F)cc1Cl)C(C)(C)O
Show InChI InChI=1S/C26H26ClFN4O4/c1-6-29-23(33)20-10-16-18(12-32(5)25(34)21(16)31-20)17-8-14(26(3,4)35)11-30-24(17)36-22-13(2)7-15(28)9-19(22)27/h7-12,31,35H,6H2,1-5H3,(H,29,33)
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0.900n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
Compound dilution series were prepared in DMSO via an approximately 3-fold serial dilution. Compound dilutions were added directly into white, low-vo...


US Patent US10633379 (2020)

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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0.952n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
Compound dilution series were prepared in DMSO via an approximately 3-fold serial dilution. Compound dilutions were added directly into white, low-vo...


US Patent US10633379 (2020)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 (BRD4)(aa 352-457)


(Homo sapiens (Human))
BDBM439513
PNG
(US10633379, Example 49)
Show SMILES CCNC(=O)c1cc2c(cn(C)c(=O)c2[nH]1)-c1cc(ccc1Oc1c(C)cc(F)cc1Cl)C(C)(C)O
Show InChI InChI=1S/C27H27ClFN3O4/c1-6-30-25(33)21-12-18-19(13-32(5)26(34)23(18)31-21)17-10-15(27(3,4)35)7-8-22(17)36-24-14(2)9-16(29)11-20(24)28/h7-13,31,35H,6H2,1-5H3,(H,30,33)
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1n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
Compound dilution series were prepared in DMSO via an approximately 3-fold serial dilution. Compound dilutions were added directly into white, low-vo...


US Patent US10633379 (2020)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 (BRD4)(aa 352-457)


(Homo sapiens (Human))
BDBM439592
PNG
(US10633379, Example 123)
Show SMILES CCNC(=O)c1cc2c(cn(C)c(=O)c2[nH]1)-c1cc(ccc1Oc1c(C)cc(F)cc1C)C1(O)COC1
Show InChI InChI=1S/C28H28FN3O5/c1-5-30-26(33)22-11-20-21(12-32(4)27(34)24(20)31-22)19-10-17(28(35)13-36-14-28)6-7-23(19)37-25-15(2)8-18(29)9-16(25)3/h6-12,31,35H,5,13-14H2,1-4H3,(H,30,33)
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1n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
Compound dilution series were prepared in DMSO via an approximately 3-fold serial dilution. Compound dilutions were added directly into white, low-vo...


US Patent US10633379 (2020)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 (BRD4)(aa 352-457)


(Homo sapiens (Human))
BDBM439548
PNG
(US10633379, Example 83)
Show SMILES CCNC(=O)c1cc2c(cn(C)c(=O)c2[nH]1)-c1cc(ccc1Oc1c(C)cc(F)cc1C)C(C)(O)CF
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1.10n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
Compound dilution series were prepared in DMSO via an approximately 3-fold serial dilution. Compound dilutions were added directly into white, low-vo...


US Patent US10633379 (2020)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 (BRD4)(aa 352-457)


(Homo sapiens (Human))
BDBM439553
PNG
(US10633379, Example 88)
Show SMILES CCNC(=O)c1cc2c(cn(C)c(=O)c2[nH]1)-c1cc(ccc1Oc1c(C)cc(Cl)cc1C)C(C)(O)CF
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AbbVie Inc.

US Patent


Assay Description
Compound dilution series were prepared in DMSO via an approximately 3-fold serial dilution. Compound dilutions were added directly into white, low-vo...


US Patent US10633379 (2020)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 (BRD4)(aa 352-457)


(Homo sapiens (Human))
BDBM439531
PNG
(US10633379, Example 67)
Show SMILES CCNC(=O)c1cc2c(cn(C)c(=O)c2[nH]1)-c1cc(ccc1Oc1c(C)cccc1C)C(C)(O)CCO
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AbbVie Inc.

US Patent


Assay Description
Compound dilution series were prepared in DMSO via an approximately 3-fold serial dilution. Compound dilutions were added directly into white, low-vo...


US Patent US10633379 (2020)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 (BRD4)(aa 352-457)


(Homo sapiens (Human))
BDBM439546
PNG
(US10633379, Example 81)
Show SMILES CCNC(=O)c1cc2c(cn(C)c(=O)c2[nH]1)-c1cc(ccc1Oc1c(C)cccc1F)C(C)(C)O
Show InChI InChI=1S/C27H28FN3O4/c1-6-29-25(32)21-13-18-19(14-31(5)26(33)23(18)30-21)17-12-16(27(3,4)34)10-11-22(17)35-24-15(2)8-7-9-20(24)28/h7-14,30,34H,6H2,1-5H3,(H,29,32)
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AbbVie Inc.

US Patent


Assay Description
Compound dilution series were prepared in DMSO via an approximately 3-fold serial dilution. Compound dilutions were added directly into white, low-vo...


US Patent US10633379 (2020)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 (BRD4)(aa 352-457)


(Homo sapiens (Human))
BDBM439461
PNG
(US10633379, Example 3 | US10633379, Example 68)
Show SMILES CCNC(=O)c1cc2c(cn(C)c(=O)c2[nH]1)-c1cc(ccc1Oc1c(C)cccc1C)C(C)(C)O
Show InChI InChI=1S/C28H31N3O4/c1-7-29-26(32)22-14-20-21(15-31(6)27(33)24(20)30-22)19-13-18(28(4,5)34)11-12-23(19)35-25-16(2)9-8-10-17(25)3/h8-15,30,34H,7H2,1-6H3,(H,29,32)
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AbbVie Inc.

US Patent


Assay Description
Compound dilution series were prepared in DMSO via an approximately 3-fold serial dilution. Compound dilutions were added directly into white, low-vo...


US Patent US10633379 (2020)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 (BRD4)(aa 352-457)


(Homo sapiens (Human))
BDBM439577
PNG
(US10633379, Example 109)
Show SMILES CCNC(=O)c1cc2c(cn(C)c(=O)c2[nH]1)-c1cc(cnc1Oc1c(C)ccc(Cl)c1C)C(C)(C)O
Show InChI InChI=1S/C27H29ClN4O4/c1-7-29-24(33)21-11-17-19(13-32(6)26(34)22(17)31-21)18-10-16(27(4,5)35)12-30-25(18)36-23-14(2)8-9-20(28)15(23)3/h8-13,31,35H,7H2,1-6H3,(H,29,33)
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AbbVie Inc.

US Patent


Assay Description
Compound dilution series were prepared in DMSO via an approximately 3-fold serial dilution. Compound dilutions were added directly into white, low-vo...


US Patent US10633379 (2020)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 (BRD4)(aa 352-457)


(Homo sapiens (Human))
BDBM439572
PNG
(US10633379, Example 104)
Show SMILES CCNC(=O)c1cc2c(cn(C)c(=O)c2[nH]1)-c1cc(ccc1Oc1c(C)ccc(F)c1C)C(C)(C)O
Show InChI InChI=1S/C28H30FN3O4/c1-7-30-26(33)22-13-19-20(14-32(6)27(34)24(19)31-22)18-12-17(28(4,5)35)9-11-23(18)36-25-15(2)8-10-21(29)16(25)3/h8-14,31,35H,7H2,1-6H3,(H,30,33)
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AbbVie Inc.

US Patent


Assay Description
Compound dilution series were prepared in DMSO via an approximately 3-fold serial dilution. Compound dilutions were added directly into white, low-vo...


US Patent US10633379 (2020)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 (BRD4)(aa 352-457)


(Homo sapiens (Human))
BDBM439536
PNG
(US10633379, Example 72)
Show SMILES CCNC(=O)c1cc2c(cn(C)c(=O)c2[nH]1)-c1cc(ccc1Oc1c(C)cc(Br)cc1C)C(C)(C)O
Show InChI InChI=1S/C28H30BrN3O4/c1-7-30-26(33)22-13-20-21(14-32(6)27(34)24(20)31-22)19-12-17(28(4,5)35)8-9-23(19)36-25-15(2)10-18(29)11-16(25)3/h8-14,31,35H,7H2,1-6H3,(H,30,33)
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AbbVie Inc.

US Patent


Assay Description
Compound dilution series were prepared in DMSO via an approximately 3-fold serial dilution. Compound dilutions were added directly into white, low-vo...


US Patent US10633379 (2020)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 (BRD4)(aa 352-457)


(Homo sapiens (Human))
BDBM439598
PNG
(US10633379, Example 128)
Show SMILES CCNC(=O)c1cc2c(cn(C)c(=O)c2[nH]1)-c1cc(ccc1Oc1c(C)cc(F)cc1C)C(C)(O)CCCO
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AbbVie Inc.

US Patent


Assay Description
Compound dilution series were prepared in DMSO via an approximately 3-fold serial dilution. Compound dilutions were added directly into white, low-vo...


US Patent US10633379 (2020)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 (BRD4)(aa 352-457)


(Homo sapiens (Human))
BDBM439583
PNG
(US10633379, Example 114)
Show SMILES CCNC(=O)c1cc2c(cn(C)c(=O)c2[nH]1)-c1cc(ccc1C1=CCCC1)C(C)(C)O
Show InChI InChI=1S/C25H29N3O3/c1-5-26-23(29)21-13-19-20(14-28(4)24(30)22(19)27-21)18-12-16(25(2,3)31)10-11-17(18)15-8-6-7-9-15/h8,10-14,27,31H,5-7,9H2,1-4H3,(H,26,29)
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AbbVie Inc.

US Patent


Assay Description
Compound dilution series were prepared in DMSO via an approximately 3-fold serial dilution. Compound dilutions were added directly into white, low-vo...


US Patent US10633379 (2020)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 (BRD4)(aa 352-457)


(Homo sapiens (Human))
BDBM439514
PNG
(US10633379, Example 50)
Show SMILES Cc1cccc(C)c1Oc1ncc(cc1-c1cn(C)c(=O)c2[nH]c(cc12)C(=O)NC(C)(C)C)C(C)(C)O
Show InChI InChI=1S/C29H34N4O4/c1-16-10-9-11-17(2)24(16)37-26-20(12-18(14-30-26)29(6,7)36)21-15-33(8)27(35)23-19(21)13-22(31-23)25(34)32-28(3,4)5/h9-15,31,36H,1-8H3,(H,32,34)
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AbbVie Inc.

US Patent


Assay Description
Compound dilution series were prepared in DMSO via an approximately 3-fold serial dilution. Compound dilutions were added directly into white, low-vo...


US Patent US10633379 (2020)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 (BRD4)(aa 352-457)


(Homo sapiens (Human))
BDBM439529
PNG
(US10633379, Example 65)
Show SMILES CCNC(=O)c1cc2c(cn(C)c(=O)c2[nH]1)-c1cc(c(F)cc1Oc1c(C)cc(F)cc1C)C(C)(C)O
Show InChI InChI=1S/C28H29F2N3O4/c1-7-31-26(34)22-11-18-19(13-33(6)27(35)24(18)32-22)17-10-20(28(4,5)36)21(30)12-23(17)37-25-14(2)8-16(29)9-15(25)3/h8-13,32,36H,7H2,1-6H3,(H,31,34)
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1.30n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
Compound dilution series were prepared in DMSO via an approximately 3-fold serial dilution. Compound dilutions were added directly into white, low-vo...


US Patent US10633379 (2020)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 (BRD4)(aa 352-457)


(Homo sapiens (Human))
BDBM439490
PNG
(US10633379, Example 29)
Show SMILES CCNC(=O)c1cc2c(cn(C)c(=O)c2[nH]1)-c1cc(cnc1Oc1c(C)cccc1Cl)C(C)(C)O
Show InChI InChI=1S/C26H27ClN4O4/c1-6-28-23(32)20-11-16-18(13-31(5)25(33)21(16)30-20)17-10-15(26(3,4)34)12-29-24(17)35-22-14(2)8-7-9-19(22)27/h7-13,30,34H,6H2,1-5H3,(H,28,32)
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1.30n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
Compound dilution series were prepared in DMSO via an approximately 3-fold serial dilution. Compound dilutions were added directly into white, low-vo...


US Patent US10633379 (2020)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 (BRD4)(aa 352-457)


(Homo sapiens (Human))
BDBM439584
PNG
(US10633379, Example 115)
Show SMILES CCNC(=O)c1cc2c(cn(C)c(=O)c2[nH]1)-c1cc(ccc1Oc1c(C)cccc1Cl)C(C)(O)CO
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AbbVie Inc.

US Patent


Assay Description
Compound dilution series were prepared in DMSO via an approximately 3-fold serial dilution. Compound dilutions were added directly into white, low-vo...


US Patent US10633379 (2020)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 (BRD4)(aa 352-457)


(Homo sapiens (Human))
BDBM439530
PNG
(US10633379, Example 66)
Show SMILES CCNC(=O)c1cc2c(cn(C)c(=O)c2[nH]1)-c1cc(ccc1Oc1c(C)cccc1C)C(C)(O)CO
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1.40n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
Compound dilution series were prepared in DMSO via an approximately 3-fold serial dilution. Compound dilutions were added directly into white, low-vo...


US Patent US10633379 (2020)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 (BRD4)(aa 352-457)


(Homo sapiens (Human))
BDBM439497
PNG
(US10633379, Example 35 | US10633379, Example 82)
Show SMILES CCNC(=O)c1cc2c(cn(C)c(=O)c2[nH]1)-c1cc(ccc1Oc1c(C)cc(F)cc1C)C(C)(C)O
Show InChI InChI=1S/C28H30FN3O4/c1-7-30-26(33)22-13-20-21(14-32(6)27(34)24(20)31-22)19-12-17(28(4,5)35)8-9-23(19)36-25-15(2)10-18(29)11-16(25)3/h8-14,31,35H,7H2,1-6H3,(H,30,33)
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1.40n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
Compound dilution series were prepared in DMSO via an approximately 3-fold serial dilution. Compound dilutions were added directly into white, low-vo...


US Patent US10633379 (2020)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 (BRD4)(aa 352-457)


(Homo sapiens (Human))
BDBM439580
PNG
(4-[4′,4′-difluoro-4-(2-hydroxypropan-2...)
Show SMILES CCNC(=O)c1cc2c(cn(C)c(=O)c2[nH]1)-c1cc(ccc1C1=CCC(F)(F)CC1)C(C)(C)O
Show InChI InChI=1S/C26H29F2N3O3/c1-5-29-23(32)21-13-19-20(14-31(4)24(33)22(19)30-21)18-12-16(25(2,3)34)6-7-17(18)15-8-10-26(27,28)11-9-15/h6-8,12-14,30,34H,5,9-11H2,1-4H3,(H,29,32)
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1.40n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
Compound dilution series were prepared in DMSO via an approximately 3-fold serial dilution. Compound dilutions were added directly into white, low-vo...


US Patent US10633379 (2020)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 (BRD4)(aa 352-457)


(Homo sapiens (Human))
BDBM439497
PNG
(US10633379, Example 35 | US10633379, Example 82)
Show SMILES CCNC(=O)c1cc2c(cn(C)c(=O)c2[nH]1)-c1cc(ccc1Oc1c(C)cc(F)cc1C)C(C)(C)O
Show InChI InChI=1S/C28H30FN3O4/c1-7-30-26(33)22-13-20-21(14-32(6)27(34)24(20)31-22)19-12-17(28(4,5)35)8-9-23(19)36-25-15(2)10-18(29)11-16(25)3/h8-14,31,35H,7H2,1-6H3,(H,30,33)
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1.40n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
Compound dilution series were prepared in DMSO via an approximately 3-fold serial dilution. Compound dilutions were added directly into white, low-vo...


US Patent US10633379 (2020)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 (BRD4)(aa 352-457)


(Homo sapiens (Human))
BDBM439551
PNG
(US10633379, Example 86)
Show SMILES CCNC(=O)c1cc2c(cn(C)c(=O)c2[nH]1)-c1cc(ccc1Oc1c(C)cc(F)cc1C)C(C)(O)C(F)(F)F
PDB
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1.40n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
Compound dilution series were prepared in DMSO via an approximately 3-fold serial dilution. Compound dilutions were added directly into white, low-vo...


US Patent US10633379 (2020)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 (BRD4)(aa 352-457)


(Homo sapiens (Human))
BDBM439582
PNG
(N-ethyl-4-[4-(2-hydroxypropan-2-yl)-4′-methy...)
Show SMILES CCNC(=O)c1cc2c(cn(C)c(=O)c2[nH]1)-c1cc(ccc1C1=CCC(C)CC1)C(C)(C)O
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AbbVie Inc.

US Patent


Assay Description
Compound dilution series were prepared in DMSO via an approximately 3-fold serial dilution. Compound dilutions were added directly into white, low-vo...


US Patent US10633379 (2020)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 (BRD4)(aa 352-457)


(Homo sapiens (Human))
BDBM439586
PNG
(US10633379, Example 117)
Show SMILES Cc1cccc(C)c1Oc1ccc(cc1-c1cn(C)c(=O)c2[nH]c(cc12)C(N)=O)C(C)(C)O
Show InChI InChI=1S/C26H27N3O4/c1-14-7-6-8-15(2)23(14)33-21-10-9-16(26(3,4)32)11-17(21)19-13-29(5)25(31)22-18(19)12-20(28-22)24(27)30/h6-13,28,32H,1-5H3,(H2,27,30)
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AbbVie Inc.

US Patent


Assay Description
Compound dilution series were prepared in DMSO via an approximately 3-fold serial dilution. Compound dilutions were added directly into white, low-vo...


US Patent US10633379 (2020)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 (BRD4)(aa 352-457)


(Homo sapiens (Human))
BDBM439482
PNG
(US10633379, Example 21)
Show SMILES CCNC(=O)c1cc2c(cn(C)c(=O)c2[nH]1)-c1cc(cnc1Oc1c(C)cccc1C)C(C)(O)CCc1ccccc1
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AbbVie Inc.

US Patent


Assay Description
Compound dilution series were prepared in DMSO via an approximately 3-fold serial dilution. Compound dilutions were added directly into white, low-vo...


US Patent US10633379 (2020)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 (BRD4)(aa 352-457)


(Homo sapiens (Human))
BDBM439538
PNG
(US10633379, Example 73)
Show SMILES CCNC(=O)c1cc2c(cn(C)c(=O)c2[nH]1)-c1cc(ccc1Oc1c(C)cc(cc1C)C#N)C(C)(C)O
Show InChI InChI=1S/C29H30N4O4/c1-7-31-27(34)23-13-21-22(15-33(6)28(35)25(21)32-23)20-12-19(29(4,5)36)8-9-24(20)37-26-16(2)10-18(14-30)11-17(26)3/h8-13,15,32,36H,7H2,1-6H3,(H,31,34)
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AbbVie Inc.

US Patent


Assay Description
Compound dilution series were prepared in DMSO via an approximately 3-fold serial dilution. Compound dilutions were added directly into white, low-vo...


US Patent US10633379 (2020)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 (BRD4)(aa 352-457)


(Homo sapiens (Human))
BDBM439527
PNG
(US10633379, Example 63)
Show SMILES Cc1cccc(Cl)c1Oc1ncc(cc1-c1cn(C)c(=O)c2[nH]c(cc12)C(=O)NC12CC(C1)C2)C(C)(C)O
Show InChI InChI=1S/C29H29ClN4O4/c1-15-6-5-7-21(30)24(15)38-26-19(8-17(13-31-26)28(2,3)37)20-14-34(4)27(36)23-18(20)9-22(32-23)25(35)33-29-10-16(11-29)12-29/h5-9,13-14,16,32,37H,10-12H2,1-4H3,(H,33,35)
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AbbVie Inc.

US Patent


Assay Description
Compound dilution series were prepared in DMSO via an approximately 3-fold serial dilution. Compound dilutions were added directly into white, low-vo...


US Patent US10633379 (2020)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 (BRD4)(aa 352-457)


(Homo sapiens (Human))
BDBM439487
PNG
(US10633379, Example 26)
Show SMILES CCNC(=O)c1cc2c(cn(C)c(=O)c2[nH]1)-c1cc(cnc1Oc1c(C)cccc1C)C(O)(C(C)C)C1CC1
PDB
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AbbVie Inc.

US Patent


Assay Description
Compound dilution series were prepared in DMSO via an approximately 3-fold serial dilution. Compound dilutions were added directly into white, low-vo...


US Patent US10633379 (2020)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 (BRD4)(aa 352-457)


(Homo sapiens (Human))
BDBM439463
PNG
(US10633379, Example 5)
Show SMILES CCNC(=O)c1cc2c(cn(C)c(=O)c2[nH]1)-c1cc(ccc1Oc1c(C)cccc1C)C1(O)CC=CC1
Show InChI InChI=1S/C30H31N3O4/c1-5-31-28(34)24-16-22-23(17-33(4)29(35)26(22)32-24)21-15-20(30(36)13-6-7-14-30)11-12-25(21)37-27-18(2)9-8-10-19(27)3/h6-12,15-17,32,36H,5,13-14H2,1-4H3,(H,31,34)
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1.60n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
Compound dilution series were prepared in DMSO via an approximately 3-fold serial dilution. Compound dilutions were added directly into white, low-vo...


US Patent US10633379 (2020)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 (BRD4)(aa 352-457)


(Homo sapiens (Human))
BDBM439576
PNG
(US10633379, Example 108)
Show SMILES Cc1cc(cc(C)c1Oc1ccc(cc1-c1cn(C)c(=O)c2[nH]c(cc12)C(=O)NC(C)(C)C)C(C)(C)O)C(C)(C)O
Show InChI InChI=1S/C33H41N3O5/c1-18-13-21(33(8,9)40)14-19(2)28(18)41-26-12-11-20(32(6,7)39)15-22(26)24-17-36(10)30(38)27-23(24)16-25(34-27)29(37)35-31(3,4)5/h11-17,34,39-40H,1-10H3,(H,35,37)
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1.60n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
Compound dilution series were prepared in DMSO via an approximately 3-fold serial dilution. Compound dilutions were added directly into white, low-vo...


US Patent US10633379 (2020)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 (BRD4)(aa 352-457)


(Homo sapiens (Human))
BDBM439556
PNG
(US10633379, Example 91)
Show SMILES CCNC(=O)c1cc2c(cn(C)c(=O)c2[nH]1)-c1cc(cnc1Oc1c(C)ccc(F)c1C)C(C)(C)O
Show InChI InChI=1S/C27H29FN4O4/c1-7-29-24(33)21-11-17-19(13-32(6)26(34)22(17)31-21)18-10-16(27(4,5)35)12-30-25(18)36-23-14(2)8-9-20(28)15(23)3/h8-13,31,35H,7H2,1-6H3,(H,29,33)
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1.60n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
Compound dilution series were prepared in DMSO via an approximately 3-fold serial dilution. Compound dilutions were added directly into white, low-vo...


US Patent US10633379 (2020)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 (BRD4)(aa 352-457)


(Homo sapiens (Human))
BDBM439593
PNG
(US10633379, Example 124)
Show SMILES CCNC(=O)c1cc2c(cn(C)c(=O)c2[nH]1)-c1cc(cnc1Oc1c(C)cc(cc1C)C(C)(C)O)C(C)(C)O
Show InChI InChI=1S/C30H36N4O5/c1-9-31-26(35)23-13-20-22(15-34(8)28(36)24(20)33-23)21-12-19(30(6,7)38)14-32-27(21)39-25-16(2)10-18(11-17(25)3)29(4,5)37/h10-15,33,37-38H,9H2,1-8H3,(H,31,35)
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1.70n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
Compound dilution series were prepared in DMSO via an approximately 3-fold serial dilution. Compound dilutions were added directly into white, low-vo...


US Patent US10633379 (2020)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 (BRD4)(aa 352-457)


(Homo sapiens (Human))
BDBM439554
PNG
(US10633379, Example 89)
Show SMILES CCNC(=O)c1cc2c(cn(C)c(=O)c2[nH]1)-c1cc(cnc1-c1ccc(F)cc1F)C(C)(C)O
Show InChI InChI=1S/C25H24F2N4O3/c1-5-28-23(32)20-10-17-18(12-31(4)24(33)22(17)30-20)16-8-13(25(2,3)34)11-29-21(16)15-7-6-14(26)9-19(15)27/h6-12,30,34H,5H2,1-4H3,(H,28,32)
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1.70n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
Compound dilution series were prepared in DMSO via an approximately 3-fold serial dilution. Compound dilutions were added directly into white, low-vo...


US Patent US10633379 (2020)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 (BRD4)(aa 352-457)


(Homo sapiens (Human))
BDBM439485
PNG
(US10633379, Example 24)
Show SMILES CCNC(=O)c1cc2c(cn(C)c(=O)c2[nH]1)-c1cc(cnc1Oc1c(C)cccc1C)C(O)(C1CC1)C1CCCC1
PDB
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AbbVie Inc.

US Patent


Assay Description
Compound dilution series were prepared in DMSO via an approximately 3-fold serial dilution. Compound dilutions were added directly into white, low-vo...


US Patent US10633379 (2020)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 (BRD4)(aa 352-457)


(Homo sapiens (Human))
BDBM439566
PNG
(US10633379, Example 99)
Show SMILES CCNC(=O)c1cc2c(cn(C)c(=O)c2[nH]1)-c1cc(ccc1Oc1c(C)ccc(Cl)c1C)C(C)(C)O
Show InChI InChI=1S/C28H30ClN3O4/c1-7-30-26(33)22-13-19-20(14-32(6)27(34)24(19)31-22)18-12-17(28(4,5)35)9-11-23(18)36-25-15(2)8-10-21(29)16(25)3/h8-14,31,35H,7H2,1-6H3,(H,30,33)
PDB
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AbbVie Inc.

US Patent


Assay Description
Compound dilution series were prepared in DMSO via an approximately 3-fold serial dilution. Compound dilutions were added directly into white, low-vo...


US Patent US10633379 (2020)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 (BRD4)(aa 352-457)


(Homo sapiens (Human))
BDBM439488
PNG
(US10633379, Example 27)
Show SMILES CCNC(=O)c1cc2c(cn(C)c(=O)c2[nH]1)-c1cc(cnc1Oc1c(C)cccc1C)C(O)(C(C)CC)C1CC1
PDB
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AbbVie Inc.

US Patent


Assay Description
Compound dilution series were prepared in DMSO via an approximately 3-fold serial dilution. Compound dilutions were added directly into white, low-vo...


US Patent US10633379 (2020)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 (BRD4)(aa 352-457)


(Homo sapiens (Human))
BDBM439550
PNG
(US10633379, Example 85)
Show SMILES CCNC(=O)c1cc2c(cn(C)c(=O)c2[nH]1)-c1cc(ccc1Oc1c(C)cc(cc1C)S(C)(=O)=O)C(C)(C)O
Show InChI InChI=1S/C29H33N3O6S/c1-8-30-27(33)23-14-21-22(15-32(6)28(34)25(21)31-23)20-13-18(29(4,5)35)9-10-24(20)38-26-16(2)11-19(12-17(26)3)39(7,36)37/h9-15,31,35H,8H2,1-7H3,(H,30,33)
PDB
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AbbVie Inc.

US Patent


Assay Description
Compound dilution series were prepared in DMSO via an approximately 3-fold serial dilution. Compound dilutions were added directly into white, low-vo...


US Patent US10633379 (2020)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 (BRD4)(aa 352-457)


(Homo sapiens (Human))
BDBM439470
PNG
(US10633379, Example 12)
Show SMILES CCNC(=O)c1cc2c(cn(C)c(=O)c2[nH]1)-c1cc(cnc1Oc1c(C)cccc1C)C(O)(CC)C1CC1
PDB
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1.90n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
Compound dilution series were prepared in DMSO via an approximately 3-fold serial dilution. Compound dilutions were added directly into white, low-vo...


US Patent US10633379 (2020)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 (BRD4)(aa 352-457)


(Homo sapiens (Human))
BDBM439549
PNG
(US10633379, Example 84)
Show SMILES CCNC(=O)c1cc2c(cn(C)c(=O)c2[nH]1)-c1cc(ccc1Oc1c(C)cc(Cl)cc1C)C(C)(C)O
Show InChI InChI=1S/C28H30ClN3O4/c1-7-30-26(33)22-13-20-21(14-32(6)27(34)24(20)31-22)19-12-17(28(4,5)35)8-9-23(19)36-25-15(2)10-18(29)11-16(25)3/h8-14,31,35H,7H2,1-6H3,(H,30,33)
PDB
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1.90n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
Compound dilution series were prepared in DMSO via an approximately 3-fold serial dilution. Compound dilutions were added directly into white, low-vo...


US Patent US10633379 (2020)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 (BRD4)(aa 352-457)


(Homo sapiens (Human))
BDBM439491
PNG
(US10633379, Example 30)
Show SMILES CCNC(=O)c1cc2c(cn(C)c(=O)c2[nH]1)-c1cc(ccc1Oc1c(C)cccc1Cl)C(C)(C)O
Show InChI InChI=1S/C27H28ClN3O4/c1-6-29-25(32)21-13-18-19(14-31(5)26(33)23(18)30-21)17-12-16(27(3,4)34)10-11-22(17)35-24-15(2)8-7-9-20(24)28/h7-14,30,34H,6H2,1-5H3,(H,29,32)
PDB
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1.90n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
Compound dilution series were prepared in DMSO via an approximately 3-fold serial dilution. Compound dilutions were added directly into white, low-vo...


US Patent US10633379 (2020)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 (BRD4)(aa 352-457)


(Homo sapiens (Human))
BDBM439472
PNG
(US10633379, Example 13)
Show SMILES CCNC(=O)c1cc2c(cn(C)c(=O)c2[nH]1)-c1cc(cnc1Oc1c(C)cccc1C)C(O)(CC)C(C)CC
PDB
MMDB

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US Patent
2n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
Compound dilution series were prepared in DMSO via an approximately 3-fold serial dilution. Compound dilutions were added directly into white, low-vo...


US Patent US10633379 (2020)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 (BRD4)(aa 352-457)


(Homo sapiens (Human))
BDBM439555
PNG
(US10633379, Example 90)
Show SMILES Cc1cc(cc(C)c1Oc1ccc(cc1-c1cn(C)c(=O)c2[nH]c(cc12)C(=O)NC(C)(C)C)C(C)(C)O)S(C)(=O)=O
Show InChI InChI=1S/C31H37N3O6S/c1-17-12-20(41(9,38)39)13-18(2)27(17)40-25-11-10-19(31(6,7)37)14-21(25)23-16-34(8)29(36)26-22(23)15-24(32-26)28(35)33-30(3,4)5/h10-16,32,37H,1-9H3,(H,33,35)
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2n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
Compound dilution series were prepared in DMSO via an approximately 3-fold serial dilution. Compound dilutions were added directly into white, low-vo...


US Patent US10633379 (2020)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 (BRD4)(aa 352-457)


(Homo sapiens (Human))
BDBM439591
PNG
(US10633379, Example 122)
Show SMILES CCNC(=O)c1cc2c(cn(C)c(=O)c2[nH]1)-c1cc(ccc1Oc1c(C)cc(F)cc1C)C1(O)CCC1
Show InChI InChI=1S/C29H30FN3O4/c1-5-31-27(34)23-14-21-22(15-33(4)28(35)25(21)32-23)20-13-18(29(36)9-6-10-29)7-8-24(20)37-26-16(2)11-19(30)12-17(26)3/h7-8,11-15,32,36H,5-6,9-10H2,1-4H3,(H,31,34)
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2n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
Compound dilution series were prepared in DMSO via an approximately 3-fold serial dilution. Compound dilutions were added directly into white, low-vo...


US Patent US10633379 (2020)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 (BRD4)(aa 352-457)


(Homo sapiens (Human))
BDBM439579
PNG
(N-ethyl-4-[4-(2-hydroxypropan-2-yl)-4′-(trif...)
Show SMILES CCNC(=O)c1cc2c(cn(C)c(=O)c2[nH]1)-c1cc(ccc1-c1ccc(OC(F)(F)F)cc1)C(C)(C)O
Show InChI InChI=1S/C27H26F3N3O4/c1-5-31-24(34)22-13-20-21(14-33(4)25(35)23(20)32-22)19-12-16(26(2,3)36)8-11-18(19)15-6-9-17(10-7-15)37-27(28,29)30/h6-14,32,36H,5H2,1-4H3,(H,31,34)
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2n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
Compound dilution series were prepared in DMSO via an approximately 3-fold serial dilution. Compound dilutions were added directly into white, low-vo...


US Patent US10633379 (2020)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 (BRD4)(aa 57-168)


(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
PDB

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PC cid
PC sid
PDB
UniChem
US Patent
2.09n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
Compound dilution series were prepared in DMSO via an approximately 3-fold serial dilution. Compound dilutions were added directly into white, low-vo...


US Patent US10633379 (2020)

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