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Compile Data Set for Download or QSAR

Found 48 hits of Enz. Inhib. data with enzyme = 'BRD4 BD1 (aa 42-168)' and Substrate = 'to-be-curated'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
BRD4 BD1 (aa 42-168)


(Homo sapiens (human))
BDBM310889
PNG
(4-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)-N...)
Show SMILES Cn1cc(-c2ccc(cc2)C(=O)Nc2cccnc2)c2cc[nH]c2c1=O
Show InChI InChI=1S/C20H16N4O2/c1-24-12-17(16-8-10-22-18(16)20(24)26)13-4-6-14(7-5-13)19(25)23-15-3-2-9-21-11-15/h2-12,22H,1H3,(H,23,25)
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n/an/a 51n/an/an/an/an/an/a



Genentech, Inc.; Constellation Pharmaceuticals Inc.

US Patent


Assay Description
His/Flag epitope tagged BRD4 BD142-168 was cloned, expressed, and purified to. BRD4 binding and inhibition was assessed by monitoring the engagement ...


US Patent US10150767 (2018)

More data for this
Ligand-Target Pair
BRD4 BD1 (aa 42-168)


(Homo sapiens (human))
BDBM310880
PNG
(7-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)-4...)
Show SMILES Cn1cc(-c2ccc3NC(=O)CC(Nc3c2)c2cccs2)c2cc[nH]c2c1=O
Show InChI InChI=1S/C21H18N4O2S/c1-25-11-14(13-6-7-22-20(13)21(25)27)12-4-5-15-16(9-12)23-17(10-19(26)24-15)18-3-2-8-28-18/h2-9,11,17,22-23H,10H2,1H3,(H,24,26)
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n/an/a 58n/an/an/an/an/an/a



Genentech, Inc.; Constellation Pharmaceuticals Inc.

US Patent


Assay Description
His/Flag epitope tagged BRD4 BD142-168 was cloned, expressed, and purified to. BRD4 binding and inhibition was assessed by monitoring the engagement ...


US Patent US10150767 (2018)

More data for this
Ligand-Target Pair
BRD4 BD1 (aa 42-168)


(Homo sapiens (human))
BDBM310879
PNG
(2-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)-5...)
Show SMILES Cn1cc(C2CC3C=CNN3C3C(CCCC3=O)N2)c2cc[nH]c2c1=O
Show InChI InChI=1S/C19H23N5O2/c1-23-10-13(12-6-7-20-17(12)19(23)26)15-9-11-5-8-21-24(11)18-14(22-15)3-2-4-16(18)25/h5-8,10-11,14-15,18,20-22H,2-4,9H2,1H3
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Genentech, Inc.; Constellation Pharmaceuticals Inc.

US Patent


Assay Description
His/Flag epitope tagged BRD4 BD142-168 was cloned, expressed, and purified to. BRD4 binding and inhibition was assessed by monitoring the engagement ...


US Patent US10150767 (2018)

More data for this
Ligand-Target Pair
BRD4 BD1 (aa 42-168)


(Homo sapiens (human))
BDBM310884
PNG
(4-[4-(3-fluoroazetidine-1-carbonyl)phenyl]-6-methy...)
Show SMILES Cn1cc(-c2ccc(cc2)C(=O)N2CC(F)C2)c2cc[nH]c2c1=O
Show InChI InChI=1S/C18H16FN3O2/c1-21-10-15(14-6-7-20-16(14)18(21)24)11-2-4-12(5-3-11)17(23)22-8-13(19)9-22/h2-7,10,13,20H,8-9H2,1H3
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n/an/a 84n/an/an/an/an/an/a



Genentech, Inc.; Constellation Pharmaceuticals Inc.

US Patent


Assay Description
His/Flag epitope tagged BRD4 BD142-168 was cloned, expressed, and purified to. BRD4 binding and inhibition was assessed by monitoring the engagement ...


US Patent US10150767 (2018)

More data for this
Ligand-Target Pair
BRD4 BD1 (aa 42-168)


(Homo sapiens (human))
BDBM310874
PNG
(US10150767, Example 4 | tert-butyl 6-(6-methyl-7-o...)
Show SMILES Cn1cc(-c2ccc3N(CCCc3c2)C(=O)OC(C)(C)C)c2cc[nH]c2c1=O
Show InChI InChI=1S/C22H25N3O3/c1-22(2,3)28-21(27)25-11-5-6-15-12-14(7-8-18(15)25)17-13-24(4)20(26)19-16(17)9-10-23-19/h7-10,12-13,23H,5-6,11H2,1-4H3
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n/an/a 110n/an/an/an/an/an/a



Genentech, Inc.; Constellation Pharmaceuticals Inc.

US Patent


Assay Description
His/Flag epitope tagged BRD4 BD142-168 was cloned, expressed, and purified to. BRD4 binding and inhibition was assessed by monitoring the engagement ...


US Patent US10150767 (2018)

More data for this
Ligand-Target Pair
BRD4 BD1 (aa 42-168)


(Homo sapiens (human))
BDBM310876
PNG
(3-methyl-6-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridi...)
Show SMILES CC1Nc2cc(ccc2NC1=O)-c1cn(C)c(=O)c2[nH]ccc12
Show InChI InChI=1S/C17H16N4O2/c1-9-16(22)20-13-4-3-10(7-14(13)19-9)12-8-21(2)17(23)15-11(12)5-6-18-15/h3-9,18-19H,1-2H3,(H,20,22)
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Genentech, Inc.; Constellation Pharmaceuticals Inc.

US Patent


Assay Description
His/Flag epitope tagged BRD4 BD142-168 was cloned, expressed, and purified to. BRD4 binding and inhibition was assessed by monitoring the engagement ...


US Patent US10150767 (2018)

More data for this
Ligand-Target Pair
BRD4 BD1 (aa 42-168)


(Homo sapiens (human))
BDBM310878
PNG
(3-isopropyl-6-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyr...)
Show SMILES CC(C)C1Nc2cc(ccc2NC1=O)-c1cn(C)c(=O)c2[nH]ccc12
Show InChI InChI=1S/C19H20N4O2/c1-10(2)16-18(24)22-14-5-4-11(8-15(14)21-16)13-9-23(3)19(25)17-12(13)6-7-20-17/h4-10,16,20-21H,1-3H3,(H,22,24)
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Genentech, Inc.; Constellation Pharmaceuticals Inc.

US Patent


Assay Description
His/Flag epitope tagged BRD4 BD142-168 was cloned, expressed, and purified to. BRD4 binding and inhibition was assessed by monitoring the engagement ...


US Patent US10150767 (2018)

More data for this
Ligand-Target Pair
BRD4 BD1 (aa 42-168)


(Homo sapiens (human))
BDBM310882
PNG
(3-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)be...)
Show SMILES Cn1cc(-c2cccc(c2)C#N)c2cc[nH]c2c1=O
Show InChI InChI=1S/C15H11N3O/c1-18-9-13(11-4-2-3-10(7-11)8-16)12-5-6-17-14(12)15(18)19/h2-7,9,17H,1H3
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Genentech, Inc.; Constellation Pharmaceuticals Inc.

US Patent


Assay Description
His/Flag epitope tagged BRD4 BD142-168 was cloned, expressed, and purified to. BRD4 binding and inhibition was assessed by monitoring the engagement ...


US Patent US10150767 (2018)

More data for this
Ligand-Target Pair
BRD4 BD1 (aa 42-168)


(Homo sapiens (human))
BDBM310886
PNG
(6-methyl-4-[4-(4-methylpiperidine-1-carbonyl)pheny...)
Show SMILES CN1CCN(CC1)C(=O)c1ccc(cc1)-c1cn(C)c(=O)c2[nH]ccc12
Show InChI InChI=1S/C20H22N4O2/c1-22-9-11-24(12-10-22)19(25)15-5-3-14(4-6-15)17-13-23(2)20(26)18-16(17)7-8-21-18/h3-8,13,21H,9-12H2,1-2H3
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Genentech, Inc.; Constellation Pharmaceuticals Inc.

US Patent


Assay Description
His/Flag epitope tagged BRD4 BD142-168 was cloned, expressed, and purified to. BRD4 binding and inhibition was assessed by monitoring the engagement ...


US Patent US10150767 (2018)

More data for this
Ligand-Target Pair
BRD4 BD1 (aa 42-168)


(Homo sapiens (human))
BDBM310877
PNG
(4-methyl-7-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridi...)
Show SMILES CC1CC(=O)Nc2ccc(cc2N1)-c1cn(C)c(=O)c2[nH]ccc12
Show InChI InChI=1S/C18H18N4O2/c1-10-7-16(23)21-14-4-3-11(8-15(14)20-10)13-9-22(2)18(24)17-12(13)5-6-19-17/h3-6,8-10,19-20H,7H2,1-2H3,(H,21,23)
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Genentech, Inc.; Constellation Pharmaceuticals Inc.

US Patent


Assay Description
His/Flag epitope tagged BRD4 BD142-168 was cloned, expressed, and purified to. BRD4 binding and inhibition was assessed by monitoring the engagement ...


US Patent US10150767 (2018)

More data for this
Ligand-Target Pair
BRD4 BD1 (aa 42-168)


(Homo sapiens (human))
BDBM310881
PNG
(3-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)be...)
Show SMILES Cn1cc(-c2cccc(c2)C(N)=O)c2cc[nH]c2c1=O
Show InChI InChI=1S/C15H13N3O2/c1-18-8-12(11-5-6-17-13(11)15(18)20)9-3-2-4-10(7-9)14(16)19/h2-8,17H,1H3,(H2,16,19)
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Genentech, Inc.; Constellation Pharmaceuticals Inc.

US Patent


Assay Description
His/Flag epitope tagged BRD4 BD142-168 was cloned, expressed, and purified to. BRD4 binding and inhibition was assessed by monitoring the engagement ...


US Patent US10150767 (2018)

More data for this
Ligand-Target Pair
BRD4 BD1 (aa 42-168)


(Homo sapiens (human))
BDBM310891
PNG
(N-(cyanomethyl)-N-methyl-4-(6-methyl-7-oxo-1H-pyrr...)
Show SMILES CN(CC#N)C(=O)c1ccc(cc1)-c1cn(C)c(=O)c2[nH]ccc12
Show InChI InChI=1S/C18H16N4O2/c1-21(10-8-19)17(23)13-5-3-12(4-6-13)15-11-22(2)18(24)16-14(15)7-9-20-16/h3-7,9,11,20H,10H2,1-2H3
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n/an/a 200n/an/an/an/an/an/a



Genentech, Inc.; Constellation Pharmaceuticals Inc.

US Patent


Assay Description
His/Flag epitope tagged BRD4 BD142-168 was cloned, expressed, and purified to. BRD4 binding and inhibition was assessed by monitoring the engagement ...


US Patent US10150767 (2018)

More data for this
Ligand-Target Pair
BRD4 BD1 (aa 42-168)


(Homo sapiens (human))
BDBM310873
PNG
(6-methyl-4-(2-oxoindolin-5-yl)-1H-pyrrolo[2,3-c]py...)
Show SMILES Cn1cc(-c2ccc3NC(=O)Cc3c2)c2cc[nH]c2c1=O
Show InChI InChI=1S/C16H13N3O2/c1-19-8-12(11-4-5-17-15(11)16(19)21)9-2-3-13-10(6-9)7-14(20)18-13/h2-6,8,17H,7H2,1H3,(H,18,20)
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Genentech, Inc.; Constellation Pharmaceuticals Inc.

US Patent


Assay Description
His/Flag epitope tagged BRD4 BD142-168 was cloned, expressed, and purified to. BRD4 binding and inhibition was assessed by monitoring the engagement ...


US Patent US10150767 (2018)

More data for this
Ligand-Target Pair
BRD4 BD1 (aa 42-168)


(Homo sapiens (human))
BDBM310886
PNG
(6-methyl-4-[4-(4-methylpiperidine-1-carbonyl)pheny...)
Show SMILES CN1CCN(CC1)C(=O)c1ccc(cc1)-c1cn(C)c(=O)c2[nH]ccc12
Show InChI InChI=1S/C20H22N4O2/c1-22-9-11-24(12-10-22)19(25)15-5-3-14(4-6-15)17-13-23(2)20(26)18-16(17)7-8-21-18/h3-8,13,21H,9-12H2,1-2H3
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Genentech, Inc.; Constellation Pharmaceuticals Inc.

US Patent


Assay Description
His/Flag epitope tagged BRD4 BD142-168 was cloned, expressed, and purified to. BRD4 binding and inhibition was assessed by monitoring the engagement ...


US Patent US10150767 (2018)

More data for this
Ligand-Target Pair
BRD4 BD1 (aa 42-168)


(Homo sapiens (human))
BDBM310885
PNG
(6-methyl-4-[4-(pyrrolidine-1-carbonyl)phenyl]-1H-p...)
Show SMILES Cn1cc(-c2ccc(cc2)C(=O)N2CCCC2)c2cc[nH]c2c1=O
Show InChI InChI=1S/C19H19N3O2/c1-21-12-16(15-8-9-20-17(15)19(21)24)13-4-6-14(7-5-13)18(23)22-10-2-3-11-22/h4-9,12,20H,2-3,10-11H2,1H3
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Genentech, Inc.; Constellation Pharmaceuticals Inc.

US Patent


Assay Description
His/Flag epitope tagged BRD4 BD142-168 was cloned, expressed, and purified to. BRD4 binding and inhibition was assessed by monitoring the engagement ...


US Patent US10150767 (2018)

More data for this
Ligand-Target Pair
BRD4 BD1 (aa 42-168)


(Homo sapiens (human))
BDBM310875
PNG
(8-(6-methyl-7-oxo-6,7-dihydro-1H-pyrrolo[2,3-c]pyr...)
Show SMILES Cn1cc(-c2ccc3NC(=O)C4CCC(=O)N4c3c2)c2cc[nH]c2c1=O
Show InChI InChI=1S/C19H16N4O3/c1-22-9-12(11-6-7-20-17(11)19(22)26)10-2-3-13-15(8-10)23-14(18(25)21-13)4-5-16(23)24/h2-3,6-9,14,20H,4-5H2,1H3,(H,21,25)
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Genentech, Inc.; Constellation Pharmaceuticals Inc.

US Patent


Assay Description
His/Flag epitope tagged BRD4 BD142-168 was cloned, expressed, and purified to. BRD4 binding and inhibition was assessed by monitoring the engagement ...


US Patent US10150767 (2018)

More data for this
Ligand-Target Pair
BRD4 BD1 (aa 42-168)


(Homo sapiens (human))
BDBM321365
PNG
(3-[6-[(E)-but-2-enyl]-7-oxo-1H-pyrrolo[2,3-c]pyrid...)
Show SMILES COc1ccc(cc1-c1cn(C\C=C\C)c(=O)c2[nH]ccc12)C(=O)NCC(F)F
Show InChI InChI=1S/C21H21F2N3O3/c1-3-4-9-26-12-16(14-7-8-24-19(14)21(26)28)15-10-13(5-6-17(15)29-2)20(27)25-11-18(22)23/h3-8,10,12,18,24H,9,11H2,1-2H3,(H,25,27)/b4-3+
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n/an/a 320n/an/an/an/an/an/a



GENENTECH, INC.; CONSTELLATION PHARMACEUTICALS, INC.

US Patent


Assay Description
His/Flag epitope tagged BRD4 BD142-168 was cloned, expressed, and purified to homogeneity. BRD4 binding and inhibition was assessed by monitoring the...


US Patent US10183009 (2019)

More data for this
Ligand-Target Pair
BRD4 BD1 (aa 42-168)


(Homo sapiens (human))
BDBM310887
PNG
(4-[4-(4-acetylpiperazine-1-carbonyl)phenyl]-6-meth...)
Show SMILES Cn1cc(-c2ccc(cc2)C(=O)N2CCN(CC(N)=O)CC2)c2cc[nH]c2c1=O
Show InChI InChI=1S/C21H23N5O3/c1-24-12-17(16-6-7-23-19(16)21(24)29)14-2-4-15(5-3-14)20(28)26-10-8-25(9-11-26)13-18(22)27/h2-7,12,23H,8-11,13H2,1H3,(H2,22,27)
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Genentech, Inc.; Constellation Pharmaceuticals Inc.

US Patent


Assay Description
His/Flag epitope tagged BRD4 BD142-168 was cloned, expressed, and purified to. BRD4 binding and inhibition was assessed by monitoring the engagement ...


US Patent US10150767 (2018)

More data for this
Ligand-Target Pair
BRD4 BD1 (aa 42-168)


(Homo sapiens (human))
BDBM321357
PNG
(3-(6-but-2-enyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-y...)
Show SMILES CC=CCn1cc(-c2cccc(c2)C(=O)N(C)C)c2cc[nH]c2c1=O
Show InChI InChI=1S/C20H21N3O2/c1-4-5-11-23-13-17(16-9-10-21-18(16)20(23)25)14-7-6-8-15(12-14)19(24)22(2)3/h4-10,12-13,21H,11H2,1-3H3/b5-4+
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GENENTECH, INC.; CONSTELLATION PHARMACEUTICALS, INC.

US Patent


Assay Description
His/Flag epitope tagged BRD4 BD142-168 was cloned, expressed, and purified to homogeneity. BRD4 binding and inhibition was assessed by monitoring the...


US Patent US10183009 (2019)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
BRD4 BD1 (aa 42-168)


(Homo sapiens (human))
BDBM310890
PNG
(N-methyl-4-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridi...)
Show SMILES CN(C(=O)c1ccc(cc1)-c1cn(C)c(=O)c2[nH]ccc12)c1ccccc1
Show InChI InChI=1S/C22H19N3O2/c1-24-14-19(18-12-13-23-20(18)22(24)27)15-8-10-16(11-9-15)21(26)25(2)17-6-4-3-5-7-17/h3-14,23H,1-2H3
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n/an/a 340n/an/an/an/an/an/a



Genentech, Inc.; Constellation Pharmaceuticals Inc.

US Patent


Assay Description
His/Flag epitope tagged BRD4 BD142-168 was cloned, expressed, and purified to. BRD4 binding and inhibition was assessed by monitoring the engagement ...


US Patent US10150767 (2018)

More data for this
Ligand-Target Pair
BRD4 BD1 (aa 42-168)


(Homo sapiens (human))
BDBM321355
PNG
(4-(6-but-2-enyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-y...)
Show SMILES CC=CCn1cc(-c2ccc(cc2)C(=O)NC2CC2)c2cc[nH]c2c1=O
Show InChI InChI=1S/C21H21N3O2/c1-2-3-12-24-13-18(17-10-11-22-19(17)21(24)26)14-4-6-15(7-5-14)20(25)23-16-8-9-16/h2-7,10-11,13,16,22H,8-9,12H2,1H3,(H,23,25)/b3-2+
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GENENTECH, INC.; CONSTELLATION PHARMACEUTICALS, INC.

US Patent


Assay Description
His/Flag epitope tagged BRD4 BD142-168 was cloned, expressed, and purified to homogeneity. BRD4 binding and inhibition was assessed by monitoring the...


US Patent US10183009 (2019)

More data for this
Ligand-Target Pair
BRD4 BD1 (aa 42-168)


(Homo sapiens (human))
BDBM310872
PNG
(6-methyl-4-phenyl-1H-pyrrolo[2,3-c]pyridin-7(6H)-o...)
Show SMILES Cn1cc(-c2ccccc2)c2cc[nH]c2c1=O
Show InChI InChI=1S/C14H12N2O/c1-16-9-12(10-5-3-2-4-6-10)11-7-8-15-13(11)14(16)17/h2-9,15H,1H3
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n/an/a 540n/an/an/an/an/an/a



Genentech, Inc.; Constellation Pharmaceuticals Inc.

US Patent


Assay Description
His/Flag epitope tagged BRD4 BD142-168 was cloned, expressed, and purified to. BRD4 binding and inhibition was assessed by monitoring the engagement ...


US Patent US10150767 (2018)

More data for this
Ligand-Target Pair
BRD4 BD1 (aa 42-168)


(Homo sapiens (human))
BDBM310883
PNG
(4-[4-(hydroxymethyl)phenyl]-6-methyl-1H-pyrrolo[2,...)
Show SMILES Cn1cc(-c2ccc(CO)cc2)c2cc[nH]c2c1=O
Show InChI InChI=1S/C15H14N2O2/c1-17-8-13(11-4-2-10(9-18)3-5-11)12-6-7-16-14(12)15(17)19/h2-8,16,18H,9H2,1H3
PDB

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US Patent
n/an/a 710n/an/an/an/an/an/a



Genentech, Inc.; Constellation Pharmaceuticals Inc.

US Patent


Assay Description
His/Flag epitope tagged BRD4 BD142-168 was cloned, expressed, and purified to. BRD4 binding and inhibition was assessed by monitoring the engagement ...


US Patent US10150767 (2018)

More data for this
Ligand-Target Pair
BRD4 BD1 (aa 42-168)


(Homo sapiens (human))
BDBM321358
PNG
(3-(6-but-2-enyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-y...)
Show SMILES CC=CCn1cc(-c2cccc(c2)C(=O)NC(C)C)c2cc[nH]c2c1=O
Show InChI InChI=1S/C21H23N3O2/c1-4-5-11-24-13-18(17-9-10-22-19(17)21(24)26)15-7-6-8-16(12-15)20(25)23-14(2)3/h4-10,12-14,22H,11H2,1-3H3,(H,23,25)/b5-4+
PDB

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US Patent
n/an/a 720n/an/an/an/an/an/a



GENENTECH, INC.; CONSTELLATION PHARMACEUTICALS, INC.

US Patent


Assay Description
His/Flag epitope tagged BRD4 BD142-168 was cloned, expressed, and purified to homogeneity. BRD4 binding and inhibition was assessed by monitoring the...


US Patent US10183009 (2019)

More data for this
Ligand-Target Pair
BRD4 BD1 (aa 42-168)


(Homo sapiens (human))
BDBM321354
PNG
(3-(6-but-2-enyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-y...)
Show SMILES CC=CCn1cc(-c2cccc(c2)C(=O)NC2CC2)c2cc[nH]c2c1=O
Show InChI InChI=1S/C21H21N3O2/c1-2-3-11-24-13-18(17-9-10-22-19(17)21(24)26)14-5-4-6-15(12-14)20(25)23-16-7-8-16/h2-6,9-10,12-13,16,22H,7-8,11H2,1H3,(H,23,25)/b3-2+
PDB

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n/an/a 830n/an/an/an/an/an/a



GENENTECH, INC.; CONSTELLATION PHARMACEUTICALS, INC.

US Patent


Assay Description
His/Flag epitope tagged BRD4 BD142-168 was cloned, expressed, and purified to homogeneity. BRD4 binding and inhibition was assessed by monitoring the...


US Patent US10183009 (2019)

More data for this
Ligand-Target Pair
BRD4 BD1 (aa 42-168)


(Homo sapiens (human))
BDBM321351
PNG
(4-[6-[(E)-but-2-enyl]-7-oxo-1H-pyrrolo[2,3-c]pyrid...)
Show SMILES C\C=C\Cn1cc(-c2ccc(C(N)=O)c(F)c2)c2cc[nH]c2c1=O
Show InChI InChI=1S/C18H16FN3O2/c1-2-3-8-22-10-14(12-6-7-21-16(12)18(22)24)11-4-5-13(17(20)23)15(19)9-11/h2-7,9-10,21H,8H2,1H3,(H2,20,23)/b3-2+
PDB

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n/an/a 890n/an/an/an/an/an/a



GENENTECH, INC.; CONSTELLATION PHARMACEUTICALS, INC.

US Patent


Assay Description
His/Flag epitope tagged BRD4 BD142-168 was cloned, expressed, and purified to homogeneity. BRD4 binding and inhibition was assessed by monitoring the...


US Patent US10183009 (2019)

More data for this
Ligand-Target Pair
BRD4 BD1 (aa 42-168)


(Homo sapiens (human))
BDBM321363
PNG
(3-[6-[(E)-but-2-enyl]-7-oxo-1H-pyrrolo[2,3-c]pyrid...)
Show SMILES COc1ccc(cc1-c1cn(C\C=C\C)c(=O)c2[nH]ccc12)C(=O)NC1CC1
Show InChI InChI=1S/C22H23N3O3/c1-3-4-11-25-13-18(16-9-10-23-20(16)22(25)27)17-12-14(5-8-19(17)28-2)21(26)24-15-6-7-15/h3-5,8-10,12-13,15,23H,6-7,11H2,1-2H3,(H,24,26)/b4-3+
PDB

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n/an/a 980n/an/an/an/an/an/a



GENENTECH, INC.; CONSTELLATION PHARMACEUTICALS, INC.

US Patent


Assay Description
His/Flag epitope tagged BRD4 BD142-168 was cloned, expressed, and purified to homogeneity. BRD4 binding and inhibition was assessed by monitoring the...


US Patent US10183009 (2019)

More data for this
Ligand-Target Pair
BRD4 BD1 (aa 42-168)


(Homo sapiens (human))
BDBM321360
PNG
(3-[6-[(E)-but-2-enyl]-7-oxo-1H-pyrrolo[2,3-c]pyrid...)
Show SMILES C\C=C\Cn1cc(-c2cccc(C(N)=O)c2F)c2cc[nH]c2c1=O
Show InChI InChI=1S/C18H16FN3O2/c1-2-3-9-22-10-14(12-7-8-21-16(12)18(22)24)11-5-4-6-13(15(11)19)17(20)23/h2-8,10,21H,9H2,1H3,(H2,20,23)/b3-2+
PDB

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n/an/a 1.20E+3n/an/an/an/an/an/a



GENENTECH, INC.; CONSTELLATION PHARMACEUTICALS, INC.

US Patent


Assay Description
His/Flag epitope tagged BRD4 BD142-168 was cloned, expressed, and purified to homogeneity. BRD4 binding and inhibition was assessed by monitoring the...


US Patent US10183009 (2019)

More data for this
Ligand-Target Pair
BRD4 BD1 (aa 42-168)


(Homo sapiens (human))
BDBM321367
PNG
(3-[6-[(E)-but-2-enyl]-7-oxo-1H-pyrrolo[2,3-c]pyrid...)
Show SMILES COc1ccc(cc1-c1cn(C\C=C\C)c(=O)c2[nH]ccc12)C(=O)NCC1CC1
Show InChI InChI=1S/C23H25N3O3/c1-3-4-11-26-14-19(17-9-10-24-21(17)23(26)28)18-12-16(7-8-20(18)29-2)22(27)25-13-15-5-6-15/h3-4,7-10,12,14-15,24H,5-6,11,13H2,1-2H3,(H,25,27)/b4-3+
PDB

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n/an/a 1.20E+3n/an/an/an/an/an/a



GENENTECH, INC.; CONSTELLATION PHARMACEUTICALS, INC.

US Patent


Assay Description
His/Flag epitope tagged BRD4 BD142-168 was cloned, expressed, and purified to homogeneity. BRD4 binding and inhibition was assessed by monitoring the...


US Patent US10183009 (2019)

More data for this
Ligand-Target Pair
BRD4 BD1 (aa 42-168)


(Homo sapiens (human))
BDBM321366
PNG
(3-[6-[(E)-but-2-enyl]-7-oxo-1H-pyrrolo[2,3-c]pyrid...)
Show SMILES COc1ccc(cc1-c1cn(C\C=C\C)c(=O)c2[nH]ccc12)C(=O)NC1CCC1
Show InChI InChI=1S/C23H25N3O3/c1-3-4-12-26-14-19(17-10-11-24-21(17)23(26)28)18-13-15(8-9-20(18)29-2)22(27)25-16-6-5-7-16/h3-4,8-11,13-14,16,24H,5-7,12H2,1-2H3,(H,25,27)/b4-3+
PDB

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US Patent
n/an/a 1.30E+3n/an/an/an/an/an/a



GENENTECH, INC.; CONSTELLATION PHARMACEUTICALS, INC.

US Patent


Assay Description
His/Flag epitope tagged BRD4 BD142-168 was cloned, expressed, and purified to homogeneity. BRD4 binding and inhibition was assessed by monitoring the...


US Patent US10183009 (2019)

More data for this
Ligand-Target Pair
BRD4 BD1 (aa 42-168)


(Homo sapiens (human))
BDBM321359
PNG
(3-(6-but-2-enyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-y...)
Show SMILES COc1ccc(cc1-c1cn(CC=CC)c(=O)c2[nH]ccc12)C#N
Show InChI InChI=1S/C19H17N3O2/c1-3-4-9-22-12-16(14-7-8-21-18(14)19(22)23)15-10-13(11-20)5-6-17(15)24-2/h3-8,10,12,21H,9H2,1-2H3/b4-3+
PDB

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US Patent
n/an/a 1.40E+3n/an/an/an/an/an/a



GENENTECH, INC.; CONSTELLATION PHARMACEUTICALS, INC.

US Patent


Assay Description
His/Flag epitope tagged BRD4 BD142-168 was cloned, expressed, and purified to homogeneity. BRD4 binding and inhibition was assessed by monitoring the...


US Patent US10183009 (2019)

More data for this
Ligand-Target Pair
BRD4 BD1 (aa 42-168)


(Homo sapiens (human))
BDBM321356
PNG
(6-but-2-enyl-4-(4-isopropylphenyl)-1H-pyrrolo[2,3-...)
Show SMILES CC=CCn1cc(-c2ccc(cc2)C(C)C)c2cc[nH]c2c1=O
Show InChI InChI=1S/C20H22N2O/c1-4-5-12-22-13-18(17-10-11-21-19(17)20(22)23)16-8-6-15(7-9-16)14(2)3/h4-11,13-14,21H,12H2,1-3H3/b5-4+
PDB

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n/an/a 1.60E+3n/an/an/an/an/an/a



GENENTECH, INC.; CONSTELLATION PHARMACEUTICALS, INC.

US Patent


Assay Description
His/Flag epitope tagged BRD4 BD142-168 was cloned, expressed, and purified to homogeneity. BRD4 binding and inhibition was assessed by monitoring the...


US Patent US10183009 (2019)

More data for this
Ligand-Target Pair
BRD4 BD1 (aa 42-168)


(Homo sapiens (human))
BDBM321364
PNG
(3-[6-[(E)-but-2-enyl]-7-oxo-1H-pyrrolo[2,3-c]pyrid...)
Show SMILES COc1ccc(cc1-c1cn(C\C=C\C)c(=O)c2[nH]ccc12)C(=O)NC1CCOC1
Show InChI InChI=1S/C23H25N3O4/c1-3-4-10-26-13-19(17-7-9-24-21(17)23(26)28)18-12-15(5-6-20(18)29-2)22(27)25-16-8-11-30-14-16/h3-7,9,12-13,16,24H,8,10-11,14H2,1-2H3,(H,25,27)/b4-3+
PDB

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n/an/a 1.60E+3n/an/an/an/an/an/a



GENENTECH, INC.; CONSTELLATION PHARMACEUTICALS, INC.

US Patent


Assay Description
His/Flag epitope tagged BRD4 BD142-168 was cloned, expressed, and purified to homogeneity. BRD4 binding and inhibition was assessed by monitoring the...


US Patent US10183009 (2019)

More data for this
Ligand-Target Pair
BRD4 BD1 (aa 42-168)


(Homo sapiens (human))
BDBM321361
PNG
(3-[6-[(E)-but-2-enyl]-7-oxo-1H-pyrrolo[2,3-c]pyrid...)
Show SMILES C\C=C\Cn1cc(-c2cc(ccc2F)C(N)=O)c2cc[nH]c2c1=O
Show InChI InChI=1S/C18H16FN3O2/c1-2-3-8-22-10-14(12-6-7-21-16(12)18(22)24)13-9-11(17(20)23)4-5-15(13)19/h2-7,9-10,21H,8H2,1H3,(H2,20,23)/b3-2+
PDB

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US Patent
n/an/a 1.80E+3n/an/an/an/an/an/a



GENENTECH, INC.; CONSTELLATION PHARMACEUTICALS, INC.

US Patent


Assay Description
His/Flag epitope tagged BRD4 BD142-168 was cloned, expressed, and purified to homogeneity. BRD4 binding and inhibition was assessed by monitoring the...


US Patent US10183009 (2019)

More data for this
Ligand-Target Pair
BRD4 BD1 (aa 42-168)


(Homo sapiens (human))
BDBM321369
PNG
(7-[6-[(E)-but-2-enyl]-7-oxo-1H-pyrrolo[2,3-c]pyrid...)
Show SMILES C\C=C\Cn1cc(-c2ccc3NC(=O)CC(C)Nc3c2)c2cc[nH]c2c1=O
Show InChI InChI=1S/C21H22N4O2/c1-3-4-9-25-12-16(15-7-8-22-20(15)21(25)27)14-5-6-17-18(11-14)23-13(2)10-19(26)24-17/h3-8,11-13,22-23H,9-10H2,1-2H3,(H,24,26)/b4-3+
PDB

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n/an/a 1.90E+3n/an/an/an/an/an/a



GENENTECH, INC.; CONSTELLATION PHARMACEUTICALS, INC.

US Patent


Assay Description
His/Flag epitope tagged BRD4 BD142-168 was cloned, expressed, and purified to homogeneity. BRD4 binding and inhibition was assessed by monitoring the...


US Patent US10183009 (2019)

More data for this
Ligand-Target Pair
BRD4 BD1 (aa 42-168)


(Homo sapiens (human))
BDBM321341
PNG
(3-[6-(2-cyclopropylethyl)-7-oxo-1H-pyrrolo[2,3-c]p...)
Show SMILES CN(C)C(=O)c1cccc(c1)-c1cn(CCC2CC2)c(=O)c2[nH]ccc12
Show InChI InChI=1S/C21H23N3O2/c1-23(2)20(25)16-5-3-4-15(12-16)18-13-24(11-9-14-6-7-14)21(26)19-17(18)8-10-22-19/h3-5,8,10,12-14,22H,6-7,9,11H2,1-2H3
PDB

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n/an/a 2.10E+3n/an/an/an/an/an/a



GENENTECH, INC.; CONSTELLATION PHARMACEUTICALS, INC.

US Patent


Assay Description
His/Flag epitope tagged BRD4 BD142-168 was cloned, expressed, and purified to homogeneity. BRD4 binding and inhibition was assessed by monitoring the...


US Patent US10183009 (2019)

More data for this
Ligand-Target Pair
BRD4 BD1 (aa 42-168)


(Homo sapiens (human))
BDBM321353
PNG
(6-but-2-enyl-4-(4-tert-butylphenyl)-1H-pyrrolo[2,3...)
Show SMILES CC=CCn1cc(-c2ccc(cc2)C(C)(C)C)c2cc[nH]c2c1=O
Show InChI InChI=1S/C21H24N2O/c1-5-6-13-23-14-18(17-11-12-22-19(17)20(23)24)15-7-9-16(10-8-15)21(2,3)4/h5-12,14,22H,13H2,1-4H3/b6-5+
PDB

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n/an/a 2.10E+3n/an/an/an/an/an/a



GENENTECH, INC.; CONSTELLATION PHARMACEUTICALS, INC.

US Patent


Assay Description
His/Flag epitope tagged BRD4 BD142-168 was cloned, expressed, and purified to homogeneity. BRD4 binding and inhibition was assessed by monitoring the...


US Patent US10183009 (2019)

More data for this
Ligand-Target Pair
BRD4 BD1 (aa 42-168)


(Homo sapiens (human))
BDBM321368
PNG
(3-(6-butyl-2-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin...)
Show SMILES CCCCn1cc(-c2cccc(c2)C(=O)N(C)C)c2cc(C)[nH]c2c1=O
Show InChI InChI=1S/C21H25N3O2/c1-5-6-10-24-13-18(17-11-14(2)22-19(17)21(24)26)15-8-7-9-16(12-15)20(25)23(3)4/h7-9,11-13,22H,5-6,10H2,1-4H3
PDB

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n/an/a 2.30E+3n/an/an/an/an/an/a



GENENTECH, INC.; CONSTELLATION PHARMACEUTICALS, INC.

US Patent


Assay Description
His/Flag epitope tagged BRD4 BD142-168 was cloned, expressed, and purified to homogeneity. BRD4 binding and inhibition was assessed by monitoring the...


US Patent US10183009 (2019)

More data for this
Ligand-Target Pair
BRD4 BD1 (aa 42-168)


(Homo sapiens (human))
BDBM321340
PNG
(3-(6-butyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)-N,...)
Show SMILES CCCCn1cc(-c2cccc(c2)C(=O)N(C)C)c2cc[nH]c2c1=O
Show InChI InChI=1S/C20H23N3O2/c1-4-5-11-23-13-17(16-9-10-21-18(16)20(23)25)14-7-6-8-15(12-14)19(24)22(2)3/h6-10,12-13,21H,4-5,11H2,1-3H3
PDB

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n/an/a 2.60E+3n/an/an/an/an/an/a



GENENTECH, INC.; CONSTELLATION PHARMACEUTICALS, INC.

US Patent


Assay Description
His/Flag epitope tagged BRD4 BD142-168 was cloned, expressed, and purified to homogeneity. BRD4 binding and inhibition was assessed by monitoring the...


US Patent US10183009 (2019)

More data for this
Ligand-Target Pair
BRD4 BD1 (aa 42-168)


(Homo sapiens (human))
BDBM321344
PNG
(N,N-dimethyl-3-[7-oxo-6-[(E)-pent-2-enyl]-1H-pyrro...)
Show SMILES CC\C=C\Cn1cc(-c2cccc(c2)C(=O)N(C)C)c2cc[nH]c2c1=O
Show InChI InChI=1S/C21H23N3O2/c1-4-5-6-12-24-14-18(17-10-11-22-19(17)21(24)26)15-8-7-9-16(13-15)20(25)23(2)3/h5-11,13-14,22H,4,12H2,1-3H3/b6-5+
PDB

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n/an/a 2.70E+3n/an/an/an/an/an/a



GENENTECH, INC.; CONSTELLATION PHARMACEUTICALS, INC.

US Patent


Assay Description
His/Flag epitope tagged BRD4 BD142-168 was cloned, expressed, and purified to homogeneity. BRD4 binding and inhibition was assessed by monitoring the...


US Patent US10183009 (2019)

More data for this
Ligand-Target Pair
BRD4 BD1 (aa 42-168)


(Homo sapiens (human))
BDBM321352
PNG
(3-(6-but-2-enyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-y...)
Show SMILES CC=CCn1cc(-c2cc(F)cc(c2)C(N)=O)c2cc[nH]c2c1=O
Show InChI InChI=1S/C18H16FN3O2/c1-2-3-6-22-10-15(14-4-5-21-16(14)18(22)24)11-7-12(17(20)23)9-13(19)8-11/h2-5,7-10,21H,6H2,1H3,(H2,20,23)/b3-2+
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n/an/a 3.00E+3n/an/an/an/an/an/a



GENENTECH, INC.; CONSTELLATION PHARMACEUTICALS, INC.

US Patent


Assay Description
His/Flag epitope tagged BRD4 BD142-168 was cloned, expressed, and purified to homogeneity. BRD4 binding and inhibition was assessed by monitoring the...


US Patent US10183009 (2019)

More data for this
Ligand-Target Pair
BRD4 BD1 (aa 42-168)


(Homo sapiens (human))
BDBM321346
PNG
(3-[6-(cyclobutylmethyl)-7-oxo-1H-pyrrolo[2,3-c]pyr...)
Show SMILES CN(C)C(=O)c1cccc(c1)-c1cn(CC2CCC2)c(=O)c2[nH]ccc12
Show InChI InChI=1S/C21H23N3O2/c1-23(2)20(25)16-8-4-7-15(11-16)18-13-24(12-14-5-3-6-14)21(26)19-17(18)9-10-22-19/h4,7-11,13-14,22H,3,5-6,12H2,1-2H3
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GENENTECH, INC.; CONSTELLATION PHARMACEUTICALS, INC.

US Patent


Assay Description
His/Flag epitope tagged BRD4 BD142-168 was cloned, expressed, and purified to homogeneity. BRD4 binding and inhibition was assessed by monitoring the...


US Patent US10183009 (2019)

More data for this
Ligand-Target Pair
BRD4 BD1 (aa 42-168)


(Homo sapiens (human))
BDBM321349
PNG
(N,N-dimethyl-3-(7-oxo-6-pentyl-1H-pyrrolo[2,3-c]py...)
Show SMILES CCCCCn1cc(-c2cccc(c2)C(=O)N(C)C)c2cc[nH]c2c1=O
Show InChI InChI=1S/C21H25N3O2/c1-4-5-6-12-24-14-18(17-10-11-22-19(17)21(24)26)15-8-7-9-16(13-15)20(25)23(2)3/h7-11,13-14,22H,4-6,12H2,1-3H3
PDB

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n/an/a 4.50E+3n/an/an/an/an/an/a



GENENTECH, INC.; CONSTELLATION PHARMACEUTICALS, INC.

US Patent


Assay Description
His/Flag epitope tagged BRD4 BD142-168 was cloned, expressed, and purified to homogeneity. BRD4 binding and inhibition was assessed by monitoring the...


US Patent US10183009 (2019)

More data for this
Ligand-Target Pair
BRD4 BD1 (aa 42-168)


(Homo sapiens (human))
BDBM321342
PNG
(3-[6-(cyclopentylmethyl)-7-oxo-1H-pyrrolo[2,3-c]py...)
Show SMILES CN(C)C(=O)c1cccc(c1)-c1cn(CC2CCCC2)c(=O)c2[nH]ccc12
Show InChI InChI=1S/C22H25N3O2/c1-24(2)21(26)17-9-5-8-16(12-17)19-14-25(13-15-6-3-4-7-15)22(27)20-18(19)10-11-23-20/h5,8-12,14-15,23H,3-4,6-7,13H2,1-2H3
PDB

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n/an/a 6.40E+3n/an/an/an/an/an/a



GENENTECH, INC.; CONSTELLATION PHARMACEUTICALS, INC.

US Patent


Assay Description
His/Flag epitope tagged BRD4 BD142-168 was cloned, expressed, and purified to homogeneity. BRD4 binding and inhibition was assessed by monitoring the...


US Patent US10183009 (2019)

More data for this
Ligand-Target Pair
BRD4 BD1 (aa 42-168)


(Homo sapiens (human))
BDBM321350
PNG
(3-(6-isobutyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)...)
Show SMILES CC(C)Cn1cc(-c2cccc(c2)C(=O)N(C)C)c2cc[nH]c2c1=O
Show InChI InChI=1S/C20H23N3O2/c1-13(2)11-23-12-17(16-8-9-21-18(16)20(23)25)14-6-5-7-15(10-14)19(24)22(3)4/h5-10,12-13,21H,11H2,1-4H3
PDB

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PC cid
PC sid
UniChem
US Patent
n/an/a 8.00E+3n/an/an/an/an/an/a



GENENTECH, INC.; CONSTELLATION PHARMACEUTICALS, INC.

US Patent


Assay Description
His/Flag epitope tagged BRD4 BD142-168 was cloned, expressed, and purified to homogeneity. BRD4 binding and inhibition was assessed by monitoring the...


US Patent US10183009 (2019)

More data for this
Ligand-Target Pair
BRD4 BD1 (aa 42-168)


(Homo sapiens (human))
BDBM321362
PNG
(6-(2-furylmethyl)-4-phenyl-1H-pyrrolo[2,3-c]pyridi...)
Show SMILES O=c1n(Cc2ccco2)cc(-c2ccccc2)c2cc[nH]c12
Show InChI InChI=1S/C18H14N2O2/c21-18-17-15(8-9-19-17)16(13-5-2-1-3-6-13)12-20(18)11-14-7-4-10-22-14/h1-10,12,19H,11H2
PDB

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PC sid
UniChem
US Patent
n/an/a 8.40E+3n/an/an/an/an/an/a



GENENTECH, INC.; CONSTELLATION PHARMACEUTICALS, INC.

US Patent


Assay Description
His/Flag epitope tagged BRD4 BD142-168 was cloned, expressed, and purified to homogeneity. BRD4 binding and inhibition was assessed by monitoring the...


US Patent US10183009 (2019)

More data for this
Ligand-Target Pair
BRD4 BD1 (aa 42-168)


(Homo sapiens (human))
BDBM321347
PNG
(3-[6-(2-cyclohexylethyl)-7-oxo-1H-pyrrolo[2,3-c]py...)
Show SMILES CN(C)C(=O)c1cccc(c1)-c1cn(CCC2CCCCC2)c(=O)c2[nH]ccc12
Show InChI InChI=1S/C24H29N3O2/c1-26(2)23(28)19-10-6-9-18(15-19)21-16-27(14-12-17-7-4-3-5-8-17)24(29)22-20(21)11-13-25-22/h6,9-11,13,15-17,25H,3-5,7-8,12,14H2,1-2H3
PDB

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PC sid
UniChem
US Patent
n/an/a 1.20E+4n/an/an/an/an/an/a



GENENTECH, INC.; CONSTELLATION PHARMACEUTICALS, INC.

US Patent


Assay Description
His/Flag epitope tagged BRD4 BD142-168 was cloned, expressed, and purified to homogeneity. BRD4 binding and inhibition was assessed by monitoring the...


US Patent US10183009 (2019)

More data for this
Ligand-Target Pair
BRD4 BD1 (aa 42-168)


(Homo sapiens (human))
BDBM321345
PNG
(3-[6-(cyclohexylmethyl)-7-oxo-1H-pyrrolo[2,3-c]pyr...)
Show SMILES CN(C)C(=O)c1cccc(c1)-c1cn(CC2CCCCC2)c(=O)c2[nH]ccc12
Show InChI InChI=1S/C23H27N3O2/c1-25(2)22(27)18-10-6-9-17(13-18)20-15-26(14-16-7-4-3-5-8-16)23(28)21-19(20)11-12-24-21/h6,9-13,15-16,24H,3-5,7-8,14H2,1-2H3
PDB

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1.50E+4n/an/an/an/an/an/a



GENENTECH, INC.; CONSTELLATION PHARMACEUTICALS, INC.

US Patent


Assay Description
His/Flag epitope tagged BRD4 BD142-168 was cloned, expressed, and purified to homogeneity. BRD4 binding and inhibition was assessed by monitoring the...


US Patent US10183009 (2019)

More data for this
Ligand-Target Pair