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Compile Data Set for Download or QSAR

Found 17 hits Enz. Inhib. hit(s) with Target = 'H4-BRD4' AND taxid = 9606   
Target
(Institution)
LigandTarget
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
H4-BRD4


(Homo sapiens (Human))
BDBM179292
PNG
(US9125915, compound 17)
Show SMILES CONC(=O)C[C@@H]1N=C(c2c(C)c(C)sc2-n2c(C)nnc12)c1ccc(Cl)cc1
Show InChI InChI=1/C20H20ClN5O2S/c1-10-11(2)29-20-17(10)18(13-5-7-14(21)8-6-13)22-15(9-16(27)25-28-4)19-24-23-12(3)26(19)20/h5-8,15H,9H2,1-4H3,(H,25,27)/t15-/s2
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US Patent
n/an/a 12.8n/an/an/an/an/an/a



Mitsubishi Tanabe Pharma Corporation

US Patent


Assay Description
An expression vector containing cDNA of BRD2, 3 and 4 added with Flag-tag was transfected to CHO cell, and a cell lysate was prepared 24 hr later. Bi...


US Patent US9125915 (2015)

More data for this
Ligand-Target Pair
H4-BRD4


(Homo sapiens (Human))
BDBM179288
PNG
(US9125915, compound 13)
Show SMILES CNC(=O)CC1N=C(c2c(C)c(C)sc2-n2c(C)nnc12)c1ccc(Cl)cc1
Show InChI InChI=1/C20H20ClN5OS/c1-10-11(2)28-20-17(10)18(13-5-7-14(21)8-6-13)23-15(9-16(27)22-4)19-25-24-12(3)26(19)20/h5-8,15H,9H2,1-4H3,(H,22,27)
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US Patent
n/an/a 17.3n/an/an/an/an/an/a



Mitsubishi Tanabe Pharma Corporation

US Patent


Assay Description
An expression vector containing cDNA of BRD2, 3 and 4 added with Flag-tag was transfected to CHO cell, and a cell lysate was prepared 24 hr later. Bi...


US Patent US9125915 (2015)

More data for this
Ligand-Target Pair
H4-BRD4


(Homo sapiens (Human))
BDBM179283
PNG
(US9125915, compound 6)
Show SMILES COC(=O)C[C@@H]1N=C(c2c(C)c(C)sc2-n2c(C)nnc12)c1ccc(Cl)cc1
Show InChI InChI=1/C20H19ClN4O2S/c1-10-11(2)28-20-17(10)18(13-5-7-14(21)8-6-13)22-15(9-16(26)27-4)19-24-23-12(3)25(19)20/h5-8,15H,9H2,1-4H3/t15-/s2
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n/an/a 18.2n/an/an/an/an/an/a



Mitsubishi Tanabe Pharma Corporation

US Patent


Assay Description
An expression vector containing cDNA of BRD2, 3 and 4 added with Flag-tag was transfected to CHO cell, and a cell lysate was prepared 24 hr later. Bi...


US Patent US9125915 (2015)

More data for this
Ligand-Target Pair
H4-BRD4


(Homo sapiens (Human))
BDBM179289
PNG
(US9125915, compound 14)
Show SMILES Cc1sc-2c(c1C)C(=NC(CC(=O)NCCO)c1nnc(C)n-21)c1ccc(Cl)cc1
Show InChI InChI=1/C21H22ClN5O2S/c1-11-12(2)30-21-18(11)19(14-4-6-15(22)7-5-14)24-16(10-17(29)23-8-9-28)20-26-25-13(3)27(20)21/h4-7,16,28H,8-10H2,1-3H3,(H,23,29)
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n/an/a 21n/an/an/an/an/an/a



Mitsubishi Tanabe Pharma Corporation

US Patent


Assay Description
An expression vector containing cDNA of BRD2, 3 and 4 added with Flag-tag was transfected to CHO cell, and a cell lysate was prepared 24 hr later. Bi...


US Patent US9125915 (2015)

More data for this
Ligand-Target Pair
H4-BRD4


(Homo sapiens (Human))
BDBM179277
PNG
(US9125915, compound 10)
Show SMILES COC(=O)C[C@@H]1N=C(c2c(C)c(C)sc2-n2c(C)nnc12)c1ccc(NC(=O)CCc2ccccc2)cc1
Show InChI InChI=1/C29H29N5O3S/c1-17-18(2)38-29-26(17)27(31-23(16-25(36)37-4)28-33-32-19(3)34(28)29)21-11-13-22(14-12-21)30-24(35)15-10-20-8-6-5-7-9-20/h5-9,11-14,23H,10,15-16H2,1-4H3,(H,30,35)/t23-/s2
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n/an/a 47.1n/an/an/an/an/an/a



Mitsubishi Tanabe Pharma Corporation

US Patent


Assay Description
An expression vector containing cDNA of BRD2, 3 and 4 added with Flag-tag was transfected to CHO cell, and a cell lysate was prepared 24 hr later. Bi...


US Patent US9125915 (2015)

More data for this
Ligand-Target Pair
H4-BRD4


(Homo sapiens (Human))
BDBM179282
PNG
(US9125915, compound 5)
Show SMILES COC(=O)C[C@@H]1N=C(c2c(C)c(Cl)sc2-n2c(C)nnc12)c1ccc(Cl)cc1
Show InChI InChI=1/C19H16Cl2N4O2S/c1-9-15-16(11-4-6-12(20)7-5-11)22-13(8-14(26)27-3)18-24-23-10(2)25(18)19(15)28-17(9)21/h4-7,13H,8H2,1-3H3/t13-/s2
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n/an/a 54.2n/an/an/an/an/an/a



Mitsubishi Tanabe Pharma Corporation

US Patent


Assay Description
An expression vector containing cDNA of BRD2, 3 and 4 added with Flag-tag was transfected to CHO cell, and a cell lysate was prepared 24 hr later. Bi...


US Patent US9125915 (2015)

More data for this
Ligand-Target Pair
H4-BRD4


(Homo sapiens (Human))
BDBM179280
PNG
(US9125915, compound 3)
Show SMILES CCOC(=O)C[C@@H]1N=C(c2c(C)c(C)sc2-n2c(C)nnc12)c1ccc(Nc2cccnc2)cc1
Show InChI InChI=1/C26H26N6O2S/c1-5-34-22(33)13-21-25-31-30-17(4)32(25)26-23(15(2)16(3)35-26)24(29-21)18-8-10-19(11-9-18)28-20-7-6-12-27-14-20/h6-12,14,21,28H,5,13H2,1-4H3/t21-/s2
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US Patent
n/an/a 54.9n/an/an/an/an/an/a



Mitsubishi Tanabe Pharma Corporation

US Patent


Assay Description
An expression vector containing cDNA of BRD2, 3 and 4 added with Flag-tag was transfected to CHO cell, and a cell lysate was prepared 24 hr later. Bi...


US Patent US9125915 (2015)

More data for this
Ligand-Target Pair
H4-BRD4


(Homo sapiens (Human))
BDBM179285
PNG
(US9125915, compound 9)
Show SMILES COC(=O)C[C@@H]1N=C(c2c(C)c(C)sc2-n2c(C)nnc12)c1ccc(NCc2ccccc2)cc1
Show InChI InChI=1/C27H27N5O2S/c1-16-17(2)35-27-24(16)25(29-22(14-23(33)34-4)26-31-30-18(3)32(26)27)20-10-12-21(13-11-20)28-15-19-8-6-5-7-9-19/h5-13,22,28H,14-15H2,1-4H3/t22-/s2
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US Patent
n/an/a 73.6n/an/an/an/an/an/a



Mitsubishi Tanabe Pharma Corporation

US Patent


Assay Description
An expression vector containing cDNA of BRD2, 3 and 4 added with Flag-tag was transfected to CHO cell, and a cell lysate was prepared 24 hr later. Bi...


US Patent US9125915 (2015)

More data for this
Ligand-Target Pair
H4-BRD4


(Homo sapiens (Human))
BDBM179281
PNG
(US9125915, compound 4)
Show SMILES COC(=O)C[C@@H]1N=C(c2c(C)c(CO)sc2-n2c(C)nnc12)c1ccc(Nc2c(F)cc(F)cc2F)cc1
Show InChI InChI=1/C26H22F3N5O3S/c1-12-20(11-35)38-26-22(12)23(31-19(10-21(36)37-3)25-33-32-13(2)34(25)26)14-4-6-16(7-5-14)30-24-17(28)8-15(27)9-18(24)29/h4-9,19,30,35H,10-11H2,1-3H3/t19-/s2
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n/an/a 77.2n/an/an/an/an/an/a



Mitsubishi Tanabe Pharma Corporation

US Patent


Assay Description
An expression vector containing cDNA of BRD2, 3 and 4 added with Flag-tag was transfected to CHO cell, and a cell lysate was prepared 24 hr later. Bi...


US Patent US9125915 (2015)

More data for this
Ligand-Target Pair
H4-BRD4


(Homo sapiens (Human))
BDBM179287
PNG
(US9125915, compound 12)
Show SMILES Cc1nnc2C(CC(=O)Nc3cccnc3)N=C(c3c(C)c(C)sc3-n12)c1ccc(Cl)cc1
Show InChI InChI=1/C24H21ClN6OS/c1-13-14(2)33-24-21(13)22(16-6-8-17(25)9-7-16)28-19(23-30-29-15(3)31(23)24)11-20(32)27-18-5-4-10-26-12-18/h4-10,12,19H,11H2,1-3H3,(H,27,32)
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US Patent
n/an/a 108n/an/an/an/an/an/a



Mitsubishi Tanabe Pharma Corporation

US Patent


Assay Description
An expression vector containing cDNA of BRD2, 3 and 4 added with Flag-tag was transfected to CHO cell, and a cell lysate was prepared 24 hr later. Bi...


US Patent US9125915 (2015)

More data for this
Ligand-Target Pair
H4-BRD4


(Homo sapiens (Human))
BDBM179276
PNG
(US9125915, compound 7)
Show SMILES COC(=O)C[C@@H]1N=C(c2c(C)c(CO)sc2-n2c(C)nnc12)c1ccc(cc1)-c1ccc(OC)cc1
Show InChI InChI=1/C27H26N4O4S/c1-15-22(14-32)36-27-24(15)25(28-21(13-23(33)35-4)26-30-29-16(2)31(26)27)19-7-5-17(6-8-19)18-9-11-20(34-3)12-10-18/h5-12,21,32H,13-14H2,1-4H3/t21-/s2
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n/an/a 113n/an/an/an/an/an/a



Mitsubishi Tanabe Pharma Corporation

US Patent


Assay Description
An expression vector containing cDNA of BRD2, 3 and 4 added with Flag-tag was transfected to CHO cell, and a cell lysate was prepared 24 hr later. Bi...


US Patent US9125915 (2015)

More data for this
Ligand-Target Pair
H4-BRD4


(Homo sapiens (Human))
BDBM179291
PNG
(US9125915, compound 16)
Show SMILES COc1ccc(NC(=O)C[C@@H]2N=C(c3c(C)c(C)sc3-n3c(C)nnc23)c2ccc(Cl)cc2)cn1
Show InChI InChI=1/C25H23ClN6O2S/c1-13-14(2)35-25-22(13)23(16-5-7-17(26)8-6-16)29-19(24-31-30-15(3)32(24)25)11-20(33)28-18-9-10-21(34-4)27-12-18/h5-10,12,19H,11H2,1-4H3,(H,28,33)/t19-/s2
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n/an/a 116n/an/an/an/an/an/a



Mitsubishi Tanabe Pharma Corporation

US Patent


Assay Description
An expression vector containing cDNA of BRD2, 3 and 4 added with Flag-tag was transfected to CHO cell, and a cell lysate was prepared 24 hr later. Bi...


US Patent US9125915 (2015)

More data for this
Ligand-Target Pair
H4-BRD4


(Homo sapiens (Human))
BDBM179290
PNG
(US9125915, compound 15)
Show SMILES Cc1sc-2c(c1C)C(=NC(CC(=O)Nc1ccc(N)cc1)c1nnc(C)n-21)c1ccc(Cl)cc1
Show InChI InChI=1/C25H23ClN6OS/c1-13-14(2)34-25-22(13)23(16-4-6-17(26)7-5-16)29-20(24-31-30-15(3)32(24)25)12-21(33)28-19-10-8-18(27)9-11-19/h4-11,20H,12,27H2,1-3H3,(H,28,33)
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n/an/a 120n/an/an/an/an/an/a



Mitsubishi Tanabe Pharma Corporation

US Patent


Assay Description
An expression vector containing cDNA of BRD2, 3 and 4 added with Flag-tag was transfected to CHO cell, and a cell lysate was prepared 24 hr later. Bi...


US Patent US9125915 (2015)

More data for this
Ligand-Target Pair
H4-BRD4


(Homo sapiens (Human))
BDBM179275
PNG
(US9125915, compound 2)
Show SMILES CCOC(=O)C[C@@H]1N=C(c2c(C)c(C)sc2-n2c(C)nnc12)c1ccc(Nc2cccc(c2)C#N)cc1
Show InChI InChI=1/C28H26N6O2S/c1-5-36-24(35)14-23-27-33-32-18(4)34(27)28-25(16(2)17(3)37-28)26(31-23)20-9-11-21(12-10-20)30-22-8-6-7-19(13-22)15-29/h6-13,23,30H,5,14H2,1-4H3/t23-/s2
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n/an/a 121n/an/an/an/an/an/a



Mitsubishi Tanabe Pharma Corporation

US Patent


Assay Description
An expression vector containing cDNA of BRD2, 3 and 4 added with Flag-tag was transfected to CHO cell, and a cell lysate was prepared 24 hr later. Bi...


US Patent US9125915 (2015)

More data for this
Ligand-Target Pair
H4-BRD4


(Homo sapiens (Human))
BDBM179284
PNG
(US9125915, compound 8)
Show SMILES COC(=O)C[C@@H]1N=C(c2c(C)c(C)sc2-n2c(C)nnc12)c1ccc(Nc2ccccc2)cc1
Show InChI InChI=1/C26H25N5O2S/c1-15-16(2)34-26-23(15)24(18-10-12-20(13-11-18)27-19-8-6-5-7-9-19)28-21(14-22(32)33-4)25-30-29-17(3)31(25)26/h5-13,21,27H,14H2,1-4H3/t21-/s2
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n/an/a 124n/an/an/an/an/an/a



Mitsubishi Tanabe Pharma Corporation

US Patent


Assay Description
An expression vector containing cDNA of BRD2, 3 and 4 added with Flag-tag was transfected to CHO cell, and a cell lysate was prepared 24 hr later. Bi...


US Patent US9125915 (2015)

More data for this
Ligand-Target Pair
H4-BRD4


(Homo sapiens (Human))
BDBM179279
PNG
(US9125915, compound 18)
Show SMILES COc1ncccc1NC(=O)C[C@@H]1N=C(c2c(C)c(C)sc2-n2c(C)nnc12)c1ccc(Cl)cc1
Show InChI InChI=1/C25H23ClN6O2S/c1-13-14(2)35-25-21(13)22(16-7-9-17(26)10-8-16)29-19(23-31-30-15(3)32(23)25)12-20(33)28-18-6-5-11-27-24(18)34-4/h5-11,19H,12H2,1-4H3,(H,28,33)/t19-/s2
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n/an/a 147n/an/an/an/an/an/a



Mitsubishi Tanabe Pharma Corporation

US Patent


Assay Description
An expression vector containing cDNA of BRD2, 3 and 4 added with Flag-tag was transfected to CHO cell, and a cell lysate was prepared 24 hr later. Bi...


US Patent US9125915 (2015)

More data for this
Ligand-Target Pair
H4-BRD4


(Homo sapiens (Human))
BDBM179286
PNG
(US9125915, compound 11)
Show SMILES CCOC(=O)C[C@@H]1N=C(c2c(C)c(C)sc2-n2c(C)nnc12)c1ccc(cc1)N(C)c1ccc(F)cc1
Show InChI InChI=1/C28H28FN5O2S/c1-6-36-24(35)15-23-27-32-31-18(4)34(27)28-25(16(2)17(3)37-28)26(30-23)19-7-11-21(12-8-19)33(5)22-13-9-20(29)10-14-22/h7-14,23H,6,15H2,1-5H3/t23-/s2
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n/an/a 225n/an/an/an/an/an/a



Mitsubishi Tanabe Pharma Corporation

US Patent


Assay Description
An expression vector containing cDNA of BRD2, 3 and 4 added with Flag-tag was transfected to CHO cell, and a cell lysate was prepared 24 hr later. Bi...


US Patent US9125915 (2015)

More data for this
Ligand-Target Pair