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Compile Data Set for Download or QSAR

Found 336 hits Enz. Inhib. hit(s) with Target = 'CREB-binding protein/p53' 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
CREB-binding protein/p53


(Homo sapiens (human))
BDBM50443232
PNG
(CHEMBL3086883)
Show SMILES Cc1cc(N=Nc2ccc(cc2)S(=O)(=O)Nc2ccccn2)c(N)cc1O
Show InChI InChI=1S/C18H17N5O3S/c1-12-10-16(15(19)11-17(12)24)22-21-13-5-7-14(8-6-13)27(25,26)23-18-4-2-3-9-20-18/h2-11,24H,19H2,1H3,(H,20,23)
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2.18E+3n/an/an/an/an/an/an/an/a



Icahn School of Medicine at Mount Sinai

Curated by ChEMBL


Assay Description
Displacement of fluorescein-labeled MS226 from recombinant human CBP bromodomain after 1 hr by fluorescence anisotropy assay


J Med Chem 56: 9251-64 (2013)

More data for this
Ligand-Target Pair
CREB-binding protein/p53


(Homo sapiens (human))
BDBM50443231
PNG
(CHEMBL3086884)
Show SMILES Cc1cc(N=Nc2ccc(cc2)S(=O)(=O)Nc2ccccn2)c(N)c(C)c1O
Show InChI InChI=1S/C19H19N5O3S/c1-12-11-16(18(20)13(2)19(12)25)23-22-14-6-8-15(9-7-14)28(26,27)24-17-5-3-4-10-21-17/h3-11,25H,20H2,1-2H3,(H,21,24)
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5.12E+3n/an/an/an/an/an/an/an/a



Icahn School of Medicine at Mount Sinai

Curated by ChEMBL


Assay Description
Displacement of fluorescein-labeled MS226 from recombinant human CBP bromodomain after 1 hr by fluorescence anisotropy assay


J Med Chem 56: 9251-64 (2013)

More data for this
Ligand-Target Pair
CREB-binding protein/p53


(Homo sapiens (human))
BDBM50443230
PNG
(CHEMBL3086885)
Show SMILES Cc1cc(N=Nc2ccc(cc2)S(=O)(=O)Nc2ccccn2)c(N)c(Cl)c1O
Show InChI InChI=1S/C18H16ClN5O3S/c1-11-10-14(17(20)16(19)18(11)25)23-22-12-5-7-13(8-6-12)28(26,27)24-15-4-2-3-9-21-15/h2-10,25H,20H2,1H3,(H,21,24)
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5.59E+3n/an/an/an/an/an/an/an/a



Icahn School of Medicine at Mount Sinai

Curated by ChEMBL


Assay Description
Displacement of fluorescein-labeled MS226 from recombinant human CBP bromodomain after 1 hr by fluorescence anisotropy assay


J Med Chem 56: 9251-64 (2013)

More data for this
Ligand-Target Pair
CREB-binding protein/p53


(Homo sapiens (human))
BDBM50443233
PNG
(CHEMBL3087052)
Show SMILES Cc1cc(cc(C)c1O)N=Nc1ccc(cc1)S(=O)(=O)Nc1ccccn1
Show InChI InChI=1S/C19H18N4O3S/c1-13-11-16(12-14(2)19(13)24)22-21-15-6-8-17(9-7-15)27(25,26)23-18-5-3-4-10-20-18/h3-12,24H,1-2H3,(H,20,23)
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7.15E+3n/an/an/an/an/an/an/an/a



Icahn School of Medicine at Mount Sinai

Curated by ChEMBL


Assay Description
Displacement of fluorescein-labeled MS226 from recombinant human CBP bromodomain after 1 hr by fluorescence anisotropy assay


J Med Chem 56: 9251-64 (2013)

More data for this
Ligand-Target Pair
CREB-binding protein/p53


(Homo sapiens (human))
BDBM50025671
PNG
(CHEMBL583413)
Show SMILES CN1c2ncnn2C(C2=C1c1cc(C)ccc1OC2c1ccc(Br)cc1)c1ccc(Br)cc1
Show InChI InChI=1/C26H20Br2N4O/c1-15-3-12-21-20(13-15)24-22(25(33-21)17-6-10-19(28)11-7-17)23(16-4-8-18(27)9-5-16)32-26(31(24)2)29-14-30-32/h3-14,23,25H,1-2H3
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n/an/a 1n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Induction of p53-Ser15 phosphorylation in human HCT116 cells after 24 hrs


J Med Chem 52: 7044-53 (2009)

More data for this
Ligand-Target Pair
CREB-binding protein/p53


(Homo sapiens (human))
BDBM50229787
PNG
((4S,5R)-Nutlin-3 | (rac)-(4,5-bis(4-chlorophenyl)-...)
Show SMILES COc1ccc(C2=N[C@H]([C@H](N2C(=O)N2CCNC(=O)C2)c2ccc(Cl)cc2)c2ccc(Cl)cc2)c(OC(C)C)c1
Show InChI InChI=1S/C30H30Cl2N4O4/c1-18(2)40-25-16-23(39-3)12-13-24(25)29-34-27(19-4-8-21(31)9-5-19)28(20-6-10-22(32)11-7-20)36(29)30(38)35-15-14-33-26(37)17-35/h4-13,16,18,27-28H,14-15,17H2,1-3H3,(H,33,37)/t27-,28+/m0/s1
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n/an/a 1n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Induction of p53-Ser15 phosphorylation in human HCT116 cells after 24 hrs


J Med Chem 52: 7044-53 (2009)

More data for this
Ligand-Target Pair
CREB-binding protein/p53


(Homo sapiens (human))
BDBM50229787
PNG
((4S,5R)-Nutlin-3 | (rac)-(4,5-bis(4-chlorophenyl)-...)
Show SMILES COc1ccc(C2=N[C@H]([C@H](N2C(=O)N2CCNC(=O)C2)c2ccc(Cl)cc2)c2ccc(Cl)cc2)c(OC(C)C)c1
Show InChI InChI=1S/C30H30Cl2N4O4/c1-18(2)40-25-16-23(39-3)12-13-24(25)29-34-27(19-4-8-21(31)9-5-19)28(20-6-10-22(32)11-7-20)36(29)30(38)35-15-14-33-26(37)17-35/h4-13,16,18,27-28H,14-15,17H2,1-3H3,(H,33,37)/t27-,28+/m0/s1
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n/an/a 1.40n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Induction of p53 in human HCT116 cells coexpressing pp53TA-luc assessed as inhibition of cell proliferation after 8 hrs by firefly/renilla luciferase...


J Med Chem 52: 7044-53 (2009)

More data for this
Ligand-Target Pair
CREB-binding protein/p53


(Homo sapiens (human))
BDBM50025671
PNG
(CHEMBL583413)
Show SMILES CN1c2ncnn2C(C2=C1c1cc(C)ccc1OC2c1ccc(Br)cc1)c1ccc(Br)cc1
Show InChI InChI=1/C26H20Br2N4O/c1-15-3-12-21-20(13-15)24-22(25(33-21)17-6-10-19(28)11-7-17)23(16-4-8-18(27)9-5-16)32-26(31(24)2)29-14-30-32/h3-14,23,25H,1-2H3
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n/an/a 3n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Induction of p53 in human HCT116 cells coexpressing pp53TA-luc assessed as inhibition of cell proliferation after 8 hrs by firefly/renilla luciferase...


J Med Chem 52: 7044-53 (2009)

More data for this
Ligand-Target Pair
CREB-binding protein/p53


(Homo sapiens (human))
BDBM50299820
PNG
((+/-)-syn-6,7-Bis(4-bromophenyl)-1-ethoxy-12-methy...)
Show SMILES CCOc1cccc2OC(C3=C(N(C)c4ncnn4C3c3ccc(Br)cc3)c12)c1ccc(Br)cc1
Show InChI InChI=1S/C27H22Br2N4O2/c1-3-34-20-5-4-6-21-22(20)25-23(26(35-21)17-9-13-19(29)14-10-17)24(16-7-11-18(28)12-8-16)33-27(32(25)2)30-15-31-33/h4-15,24,26H,3H2,1-2H3
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n/an/a 6.5n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Induction of p53 in human HCT116 cells coexpressing pp53TA-luc assessed as inhibition of cell proliferation after 8 hrs by firefly/renilla luciferase...


J Med Chem 52: 7044-53 (2009)

More data for this
Ligand-Target Pair
CREB-binding protein/p53


(Homo sapiens (human))
BDBM50299822
PNG
((+/-)-syn-6,7-Bis(4-chlorophenyl)-12-methyl-7,12-d...)
Show SMILES CN1c2ncnn2C(C2=C1c1ccccc1OC2c1ccc(Cl)cc1)c1ccc(Cl)cc1
Show InChI InChI=1S/C25H18Cl2N4O/c1-30-23-19-4-2-3-5-20(19)32-24(16-8-12-18(27)13-9-16)21(23)22(31-25(30)28-14-29-31)15-6-10-17(26)11-7-15/h2-14,22,24H,1H3
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n/an/a 9.40n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Induction of p53 in human HCT116 cells coexpressing pp53TA-luc assessed as inhibition of cell proliferation after 8 hrs by firefly/renilla luciferase...


J Med Chem 52: 7044-53 (2009)

More data for this
Ligand-Target Pair
CREB-binding protein/p53


(Homo sapiens (human))
BDBM50299818
PNG
((+/-)-syn-6,7-Bis(4-bromophenyl)-3-fluoro-2,12-dim...)
Show SMILES CN1c2ncnn2C(C2=C1c1cc(C)c(F)cc1OC2c1ccc(Br)cc1)c1ccc(Br)cc1
Show InChI InChI=1S/C26H19Br2FN4O/c1-14-11-19-21(12-20(14)29)34-25(16-5-9-18(28)10-6-16)22-23(15-3-7-17(27)8-4-15)33-26(30-13-31-33)32(2)24(19)22/h3-13,23,25H,1-2H3
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n/an/a 11n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Induction of p53 in human HCT116 cells coexpressing pp53TA-luc assessed as inhibition of cell proliferation after 8 hrs by firefly/renilla luciferase...


J Med Chem 52: 7044-53 (2009)

More data for this
Ligand-Target Pair
CREB-binding protein/p53


(Homo sapiens (human))
BDBM50299821
PNG
((+/-)-syn-7-(4-Bromophenyl)-6-(4-chlorophenyl)-12-...)
Show SMILES CN1c2ncnn2C(C2=C1c1ccccc1OC2c1ccc(Cl)cc1)c1ccc(Br)cc1
Show InChI InChI=1S/C25H18BrClN4O/c1-30-23-19-4-2-3-5-20(19)32-24(16-8-12-18(27)13-9-16)21(23)22(31-25(30)28-14-29-31)15-6-10-17(26)11-7-15/h2-14,22,24H,1H3
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n/an/a 15n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Induction of p53 in human HCT116 cells coexpressing pp53TA-luc assessed as inhibition of cell proliferation after 8 hrs by firefly/renilla luciferase...


J Med Chem 52: 7044-53 (2009)

More data for this
Ligand-Target Pair
CREB-binding protein/p53


(Homo sapiens (human))
BDBM50178219
PNG
(CHEMBL3814752)
Show SMILES C[C@@H]1CC(=O)Nc2cccc(-c3ccc4n(C)nc(-c5cnn(C)c5)c4c3)c2N1
Show InChI InChI=1/C22H22N6O/c1-13-9-20(29)25-18-6-4-5-16(22(18)24-13)14-7-8-19-17(10-14)21(26-28(19)3)15-11-23-27(2)12-15/h4-8,10-13,24H,9H2,1-3H3,(H,25,29)/t13-/s2
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n/an/a 30n/an/an/an/an/an/a



Constellation Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of biotinylated ligand from recombinant His-tagged CBP (unknown origin) incubated for 10 mins by TR-FRET assay


ACS Med Chem Lett 7: 531-6 (2016)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
CREB-binding protein/p53


(Homo sapiens (human))
BDBM50178220
PNG
(CHEMBL3814550)
Show SMILES C[C@@H]1CC(=O)Nc2cccc(-c3ccc4n(C)nc(C5CC5)c4c3)c2N1
Show InChI InChI=1/C21H22N4O/c1-12-10-19(26)23-17-5-3-4-15(21(17)22-12)14-8-9-18-16(11-14)20(13-6-7-13)24-25(18)2/h3-5,8-9,11-13,22H,6-7,10H2,1-2H3,(H,23,26)/t12-/s2
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n/an/a 33n/an/an/an/an/an/a



Constellation Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of biotinylated ligand from recombinant His-tagged CBP (unknown origin) incubated for 10 mins by TR-FRET assay


ACS Med Chem Lett 7: 531-6 (2016)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
CREB-binding protein/p53


(Homo sapiens (human))
BDBM50178169
PNG
(CHEMBL3814896)
Show SMILES C[C@@H]1CC(=O)Nc2cccc(C(=O)Nc3cccc(c3)-c3cnco3)c2N1
Show InChI InChI=1/C20H18N4O3/c1-12-8-18(25)24-16-7-3-6-15(19(16)22-12)20(26)23-14-5-2-4-13(9-14)17-10-21-11-27-17/h2-7,9-12,22H,8H2,1H3,(H,23,26)(H,24,25)/t12-/s2
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n/an/a 39n/an/an/an/an/an/a



Constellation Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of biotinylated ligand from recombinant His-tagged CBP (unknown origin) incubated for 10 mins by TR-FRET assay


ACS Med Chem Lett 7: 531-6 (2016)

More data for this
Ligand-Target Pair
CREB-binding protein/p53


(Homo sapiens (human))
BDBM50299819
PNG
((+/-)-syn-6,7-Bis(4-bromophenyl)-2-fluoro-12-methy...)
Show SMILES CN1c2ncnn2C(C2=C1c1cc(F)ccc1OC2c1ccc(Br)cc1)c1ccc(Br)cc1
Show InChI InChI=1S/C25H17Br2FN4O/c1-31-23-19-12-18(28)10-11-20(19)33-24(15-4-8-17(27)9-5-15)21(23)22(32-25(31)29-13-30-32)14-2-6-16(26)7-3-14/h2-13,22,24H,1H3
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n/an/a 44n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Induction of p53 in human HCT116 cells coexpressing pp53TA-luc assessed as inhibition of cell proliferation after 8 hrs by firefly/renilla luciferase...


J Med Chem 52: 7044-53 (2009)

More data for this
Ligand-Target Pair
CREB-binding protein/p53


(Homo sapiens (human))
BDBM188519
PNG
(SGC-CBP30)
Show SMILES COc1ccc(CCc2nc3cc(ccc3n2C[C@H](C)N2CCOCC2)-c2c(C)noc2C)cc1Cl
Show InChI InChI=1/C28H33ClN4O3/c1-18(32-11-13-35-14-12-32)17-33-25-8-7-22(28-19(2)31-36-20(28)3)16-24(25)30-27(33)10-6-21-5-9-26(34-4)23(29)15-21/h5,7-9,15-16,18H,6,10-14,17H2,1-4H3/t18-/s2
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n/an/a 69n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Displacement of biotinylated tetra-acetylated histone H4 from human his-tagged CBP by alphascreen assay


J Med Chem 59: 1271-98 (2016)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
CREB-binding protein/p53


(Homo sapiens (human))
BDBM50178161
PNG
(CHEMBL3813929)
Show SMILES C[C@@H]1CC(=O)Nc2cccc(-c3ccc4n(C)nc(C(N)=O)c4c3)c2N1
Show InChI InChI=1/C19H19N5O2/c1-10-8-16(25)22-14-5-3-4-12(17(14)21-10)11-6-7-15-13(9-11)18(19(20)26)23-24(15)2/h3-7,9-10,21H,8H2,1-2H3,(H2,20,26)(H,22,25)/t10-/s2
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n/an/a 77n/an/an/an/an/an/a



Constellation Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of biotinylated ligand from recombinant His-tagged CBP (unknown origin) incubated for 10 mins by TR-FRET assay


ACS Med Chem Lett 7: 531-6 (2016)

More data for this
Ligand-Target Pair
CREB-binding protein/p53


(Homo sapiens (human))
BDBM50178163
PNG
(CHEMBL3813846)
Show SMILES C[C@@H]1CC(=O)Nc2cccc(-c3cccc(OCc4ccccc4)c3)c2N1
Show InChI InChI=1/C23H22N2O2/c1-16-13-22(26)25-21-12-6-11-20(23(21)24-16)18-9-5-10-19(14-18)27-15-17-7-3-2-4-8-17/h2-12,14,16,24H,13,15H2,1H3,(H,25,26)/t16-/s2
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n/an/a 110n/an/an/an/an/an/a



Constellation Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of biotinylated ligand from recombinant His-tagged CBP (unknown origin) incubated for 10 mins by TR-FRET assay


ACS Med Chem Lett 7: 531-6 (2016)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
CREB-binding protein/p53


(Homo sapiens (human))
BDBM188516
PNG
(BDOIA383)
Show SMILES COc1ccc(CCc2nc3cc(ccc3n2CCN2CCOCC2)-c2c(C)noc2C)cc1
Show InChI InChI=1S/C27H32N4O3/c1-19-27(20(2)34-29-19)22-7-10-25-24(18-22)28-26(11-6-21-4-8-23(32-3)9-5-21)31(25)13-12-30-14-16-33-17-15-30/h4-5,7-10,18H,6,11-17H2,1-3H3
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n/an/a 120n/an/an/an/an/an/a



Pfizer



Assay Description
The assay used His-tagged CBP protein, biotinylated histone H4, and detection reagents europium-labeled streptavidin and anti-6His antibody labeled w...


Chem Biol 22: 1588-96 (2015)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
CREB-binding protein/p53


(Homo sapiens (human))
BDBM50178168
PNG
(CHEMBL3814246)
Show SMILES COc1ccc(cc1OC)-c1cccc2NC(=O)C[C@@H](C)Nc12
Show InChI InChI=1/C18H20N2O3/c1-11-9-17(21)20-14-6-4-5-13(18(14)19-11)12-7-8-15(22-2)16(10-12)23-3/h4-8,10-11,19H,9H2,1-3H3,(H,20,21)/t11-/s2
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n/an/a 130n/an/an/an/an/an/a



Constellation Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of biotinylated ligand from recombinant His-tagged CBP (unknown origin) incubated for 10 mins by TR-FRET assay


ACS Med Chem Lett 7: 531-6 (2016)

More data for this
Ligand-Target Pair
CREB-binding protein/p53


(Homo sapiens (human))
BDBM188517
PNG
(PF-CBP1)
Show SMILES CCCOc1ccc(CCc2nc3cc(ccc3n2CCN2CCOCC2)-c2c(C)noc2C)cc1
Show InChI InChI=1S/C29H36N4O3/c1-4-17-35-25-9-5-23(6-10-25)7-12-28-30-26-20-24(29-21(2)31-36-22(29)3)8-11-27(26)33(28)14-13-32-15-18-34-19-16-32/h5-6,8-11,20H,4,7,12-19H2,1-3H3
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n/an/a 130n/an/an/an/an/an/a



Pfizer



Assay Description
The assay used His-tagged CBP protein, biotinylated histone H4, and detection reagents europium-labeled streptavidin and anti-6His antibody labeled w...


Chem Biol 22: 1588-96 (2015)

More data for this
Ligand-Target Pair
CREB-binding protein/p53


(Homo sapiens (human))
BDBM50178164
PNG
(CHEMBL3815023)
Show SMILES CC(c1ccccc1)n1cc(cn1)-c1cccc2NC(=O)C[C@@H](C)Nc12
Show InChI InChI=1/C21H22N4O/c1-14-11-20(26)24-19-10-6-9-18(21(19)23-14)17-12-22-25(13-17)15(2)16-7-4-3-5-8-16/h3-10,12-15,23H,11H2,1-2H3,(H,24,26)/t14-,15?/s2
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n/an/a 160n/an/an/an/an/an/a



Constellation Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of biotinylated ligand from recombinant His-tagged CBP (unknown origin) incubated for 10 mins by TR-FRET assay


ACS Med Chem Lett 7: 531-6 (2016)

More data for this
Ligand-Target Pair
CREB-binding protein/p53


(Homo sapiens (human))
BDBM50151663
PNG
(CHEMBL3774655)
Show SMILES CCC(=O)N1CCOc2c(C1)cc(cc2OC[C@H]1CCCN(C)C1)-c1ccc(OC)c(OC)c1
Show InChI InChI=1/C27H36N2O5/c1-5-26(30)29-11-12-33-27-22(17-29)13-21(20-8-9-23(31-3)24(14-20)32-4)15-25(27)34-18-19-7-6-10-28(2)16-19/h8-9,13-15,19H,5-7,10-12,16-18H2,1-4H3/t19-/s2
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Genentech

Curated by ChEMBL


Assay Description
Inhibition of CBP (unknown origin) by alphascreen assay


J Med Chem 59: 1271-98 (2016)

More data for this
Ligand-Target Pair
CREB-binding protein/p53


(Homo sapiens (human))
BDBM50178162
PNG
(CHEMBL3814197)
Show SMILES C[C@@H]1CC(=O)Nc2cccc(-c3ccc4n(C)ncc4c3)c2N1
Show InChI InChI=1/C18H18N4O/c1-11-8-17(23)21-15-5-3-4-14(18(15)20-11)12-6-7-16-13(9-12)10-19-22(16)2/h3-7,9-11,20H,8H2,1-2H3,(H,21,23)/t11-/s2
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Constellation Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of biotinylated ligand from recombinant His-tagged CBP (unknown origin) incubated for 10 mins by TR-FRET assay


ACS Med Chem Lett 7: 531-6 (2016)

More data for this
Ligand-Target Pair
CREB-binding protein/p53


(Homo sapiens (human))
BDBM50178221
PNG
(CHEMBL3814602)
Show SMILES C[C@@H]1CC(=O)Nc2cccc(-c3ccc4n(C)nc(C#N)c4c3)c2N1
Show InChI InChI=1/C19H17N5O/c1-11-8-18(25)22-15-5-3-4-13(19(15)21-11)12-6-7-17-14(9-12)16(10-20)23-24(17)2/h3-7,9,11,21H,8H2,1-2H3,(H,22,25)/t11-/s2
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n/an/a 250n/an/an/an/an/an/a



Constellation Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of biotinylated ligand from recombinant His-tagged CBP (unknown origin) incubated for 10 mins by TR-FRET assay


ACS Med Chem Lett 7: 531-6 (2016)

More data for this
Ligand-Target Pair
CREB-binding protein/p53


(Homo sapiens (human))
BDBM50151661
PNG
(CHEMBL3752296)
Show SMILES COc1ccc2CCCN(CCCNC(=O)c3cccc4NC(=O)[C@@H](C)Nc34)c2c1
Show InChI InChI=1/C23H28N4O3/c1-15-22(28)26-19-8-3-7-18(21(19)25-15)23(29)24-11-5-13-27-12-4-6-16-9-10-17(30-2)14-20(16)27/h3,7-10,14-15,25H,4-6,11-13H2,1-2H3,(H,24,29)(H,26,28)/t15-/s2
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n/an/a 323n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of CBP (unknown origin) by alphascreen assay


J Med Chem 59: 1271-98 (2016)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
CREB-binding protein/p53


(Homo sapiens (human))
BDBM149985
PNG
(US8975417, 41)
Show SMILES CC(C)n1cc2C(N(C(=O)c2n1)c1cc(C)c(=O)n(C)c1)c1ccc(Cl)cc1
Show InChI InChI=1/C21H21ClN4O2/c1-12(2)25-11-17-18(23-25)21(28)26(16-9-13(3)20(27)24(4)10-16)19(17)14-5-7-15(22)8-6-14/h5-12,19H,1-4H3
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n/an/a 380n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
In order to assess bromodomain selectivity, we set up a binding assay using the bromodomain encoded by the CREBBP gene. Compounds were tested in the ...


US Patent US8975417 (2015)

More data for this
Ligand-Target Pair
CREB-binding protein/p53


(Homo sapiens (human))
BDBM150008
PNG
(US8975417, 64)
Show SMILES CC(C)n1nc2C(=O)N(C(c2c1C)c1ccc(Cl)cc1)c1cc(C)c(=O)n(C)c1
Show InChI InChI=1/C22H23ClN4O2/c1-12(2)27-14(4)18-19(24-27)22(29)26(17-10-13(3)21(28)25(5)11-17)20(18)15-6-8-16(23)9-7-15/h6-12,20H,1-5H3
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n/an/a 400n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
In order to assess bromodomain selectivity, we set up a binding assay using the bromodomain encoded by the CREBBP gene. Compounds were tested in the ...


US Patent US8975417 (2015)

More data for this
Ligand-Target Pair
CREB-binding protein/p53


(Homo sapiens (human))
BDBM150009
PNG
(US8975417, 65)
Show SMILES CC(C)n1nc2C(=O)N(C(c2c1C)c1ccc(Cl)cc1)c1cc(Cl)c(=O)n(C)c1
Show InChI InChI=1/C21H20Cl2N4O2/c1-11(2)27-12(3)17-18(24-27)21(29)26(15-9-16(23)20(28)25(4)10-15)19(17)13-5-7-14(22)8-6-13/h5-11,19H,1-4H3
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n/an/a 420n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
In order to assess bromodomain selectivity, we set up a binding assay using the bromodomain encoded by the CREBBP gene. Compounds were tested in the ...


US Patent US8975417 (2015)

More data for this
Ligand-Target Pair
CREB-binding protein/p53


(Homo sapiens (human))
BDBM149986
PNG
(US8975417, 42)
Show SMILES CC(C)n1cc2C(N(C(=O)c2n1)c1cc(Cl)c(=O)n(C)c1)c1ccc(Cl)cc1
Show InChI InChI=1/C20H18Cl2N4O2/c1-11(2)25-10-15-17(23-25)20(28)26(14-8-16(22)19(27)24(3)9-14)18(15)12-4-6-13(21)7-5-12/h4-11,18H,1-3H3
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n/an/a 450n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
In order to assess bromodomain selectivity, we set up a binding assay using the bromodomain encoded by the CREBBP gene. Compounds were tested in the ...


US Patent US8975417 (2015)

More data for this
Ligand-Target Pair
CREB-binding protein/p53


(Homo sapiens (human))
BDBM50178187
PNG
(CHEMBL3814891)
Show SMILES C[C@@H]1CC(=O)Nc2cccc(C(=O)NCc3ccccc3)c2N1
Show InChI InChI=1/C18H19N3O2/c1-12-10-16(22)21-15-9-5-8-14(17(15)20-12)18(23)19-11-13-6-3-2-4-7-13/h2-9,12,20H,10-11H2,1H3,(H,19,23)(H,21,22)/t12-/s2
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n/an/a 530n/an/an/an/an/an/a



Constellation Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of biotinylated ligand from recombinant His-tagged CBP (unknown origin) incubated for 10 mins by TR-FRET assay


ACS Med Chem Lett 7: 531-6 (2016)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
CREB-binding protein/p53


(Homo sapiens (human))
BDBM149999
PNG
(US8975417, 55 | US8975417, 56)
Show SMILES COc1ncc(c(OC)n1)-n1nc2C(=O)N(C(c2c1C)c1ccc(Cl)cc1)c1cc(Cl)c(=O)n(C)c1
Show InChI InChI=1/C24H20Cl2N6O4/c1-12-18-19(29-32(12)17-10-27-24(36-4)28-21(17)35-3)23(34)31(15-9-16(26)22(33)30(2)11-15)20(18)13-5-7-14(25)8-6-13/h5-11,20H,1-4H3
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n/an/a 560n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
In order to assess bromodomain selectivity, we set up a binding assay using the bromodomain encoded by the CREBBP gene. Compounds were tested in the ...


US Patent US8975417 (2015)

More data for this
Ligand-Target Pair
CREB-binding protein/p53


(Homo sapiens (human))
BDBM149999
PNG
(US8975417, 55 | US8975417, 56)
Show SMILES COc1ncc(c(OC)n1)-n1nc2C(=O)N(C(c2c1C)c1ccc(Cl)cc1)c1cc(Cl)c(=O)n(C)c1
Show InChI InChI=1/C24H20Cl2N6O4/c1-12-18-19(29-32(12)17-10-27-24(36-4)28-21(17)35-3)23(34)31(15-9-16(26)22(33)30(2)11-15)20(18)13-5-7-14(25)8-6-13/h5-11,20H,1-4H3
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n/an/a 600n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
In order to assess bromodomain selectivity, we set up a binding assay using the bromodomain encoded by the CREBBP gene. Compounds were tested in the ...


US Patent US8975417 (2015)

More data for this
Ligand-Target Pair
CREB-binding protein/p53


(Homo sapiens (human))
BDBM50178175
PNG
(CHEMBL3813915)
Show SMILES CC[C@@H](NC(=O)c1cccc2NC(=O)C[C@@H](C)Nc12)c1cnco1
Show InChI InChI=1/C17H20N4O3/c1-3-12(14-8-18-9-24-14)21-17(23)11-5-4-6-13-16(11)19-10(2)7-15(22)20-13/h4-6,8-10,12,19H,3,7H2,1-2H3,(H,20,22)(H,21,23)/t10-,12-/s2
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Constellation Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of biotinylated ligand from recombinant His-tagged CBP (unknown origin) incubated for 10 mins by TR-FRET assay


ACS Med Chem Lett 7: 531-6 (2016)

More data for this
Ligand-Target Pair
CREB-binding protein/p53


(Homo sapiens (human))
BDBM150102
PNG
(US8975417, 170)
Show SMILES CCn1nc(C)c2C(N(C(=O)c12)c1cc(C)c(=O)n(C)c1)c1ccc(Cl)cc1F
Show InChI InChI=1/C21H20ClFN4O2/c1-5-26-19-17(12(3)24-26)18(15-7-6-13(22)9-16(15)23)27(21(19)29)14-8-11(2)20(28)25(4)10-14/h6-10,18H,5H2,1-4H3
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n/an/a 630n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
In order to assess bromodomain selectivity, we set up a binding assay using the bromodomain encoded by the CREBBP gene. Compounds were tested in the ...


US Patent US8975417 (2015)

More data for this
Ligand-Target Pair
CREB-binding protein/p53


(Homo sapiens (human))
BDBM188520
PNG
(ISOX-DUAL)
Show SMILES CN(C)CCCOc1ccc(CCc2nc3cc(ccc3n2CCN2CCOCC2)-c2c(C)noc2C)cc1
Show InChI InChI=1S/C31H41N5O3/c1-23-31(24(2)39-33-23)26-9-12-29-28(22-26)32-30(36(29)16-15-35-17-20-37-21-18-35)13-8-25-6-10-27(11-7-25)38-19-5-14-34(3)4/h6-7,9-12,22H,5,8,13-21H2,1-4H3
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Pfizer



Assay Description
The assay used His-tagged CBP protein, biotinylated histone H4, and detection reagents europium-labeled streptavidin and anti-6His antibody labeled w...


Chem Biol 22: 1588-96 (2015)

More data for this
Ligand-Target Pair
CREB-binding protein/p53


(Homo sapiens (human))
BDBM150035
PNG
(US8975417, 94)
Show SMILES Cc1nn(C2CCC2)c2C(=O)N(C(c12)c1ccc(Cl)cc1)c1cc(C)c(=O)n(C)c1
Show InChI InChI=1/C23H23ClN4O2/c1-13-11-18(12-26(3)22(13)29)27-20(15-7-9-16(24)10-8-15)19-14(2)25-28(17-5-4-6-17)21(19)23(27)30/h7-12,17,20H,4-6H2,1-3H3
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n/an/a 650n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
In order to assess bromodomain selectivity, we set up a binding assay using the bromodomain encoded by the CREBBP gene. Compounds were tested in the ...


US Patent US8975417 (2015)

More data for this
Ligand-Target Pair
CREB-binding protein/p53


(Homo sapiens (human))
BDBM149987
PNG
(US8975417, 43)
Show SMILES Cc1cc(cn(C)c1=O)N1C(c2c(nn(C3CC3)c2C(F)(F)F)C1=O)c1ccc(Cl)cc1
Show InChI InChI=1/C22H18ClF3N4O2/c1-11-9-15(10-28(2)20(11)31)29-18(12-3-5-13(23)6-4-12)16-17(21(29)32)27-30(14-7-8-14)19(16)22(24,25)26/h3-6,9-10,14,18H,7-8H2,1-2H3
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n/an/a 660n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
In order to assess bromodomain selectivity, we set up a binding assay using the bromodomain encoded by the CREBBP gene. Compounds were tested in the ...


US Patent US8975417 (2015)

More data for this
Ligand-Target Pair
CREB-binding protein/p53


(Homo sapiens (human))
BDBM50178170
PNG
(CHEMBL3814881)
Show SMILES C[C@@H]1CC(=O)Nc2cccc(C(=O)NC3CCOc4ccccc34)c2N1
Show InChI InChI=1/C20H21N3O3/c1-12-11-18(24)22-16-7-4-6-14(19(16)21-12)20(25)23-15-9-10-26-17-8-3-2-5-13(15)17/h2-8,12,15,21H,9-11H2,1H3,(H,22,24)(H,23,25)/t12-,15?/s2
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n/an/a 670n/an/an/an/an/an/a



Constellation Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of biotinylated ligand from recombinant His-tagged CBP (unknown origin) incubated for 10 mins by TR-FRET assay


ACS Med Chem Lett 7: 531-6 (2016)

More data for this
Ligand-Target Pair
CREB-binding protein/p53


(Homo sapiens (human))
BDBM149984
PNG
(US8975417, 40)
Show SMILES Cn1cc(cc(Cl)c1=O)N1C(c2c(nn(C3CC3)c2C(F)(F)F)C1=O)c1ccc(Cl)cc1
Show InChI InChI=1/C21H15Cl2F3N4O2/c1-28-9-13(8-14(23)19(28)31)29-17(10-2-4-11(22)5-3-10)15-16(20(29)32)27-30(12-6-7-12)18(15)21(24,25)26/h2-5,8-9,12,17H,6-7H2,1H3
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n/an/a 740n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
In order to assess bromodomain selectivity, we set up a binding assay using the bromodomain encoded by the CREBBP gene. Compounds were tested in the ...


US Patent US8975417 (2015)

More data for this
Ligand-Target Pair
CREB-binding protein/p53


(Homo sapiens (human))
BDBM50388626
PNG
(CHEMBL2059435 | US9296736, 152)
Show SMILES CC[C@@H]([C@H](C)O)N1[C@@H]([C@H](C[C@](C)(CC(O)=O)C1=O)c1cccc(Cl)c1)c1ccc(Cl)cc1
Show InChI InChI=1S/C25H29Cl2NO4/c1-4-21(15(2)29)28-23(16-8-10-18(26)11-9-16)20(17-6-5-7-19(27)12-17)13-25(3,24(28)32)14-22(30)31/h5-12,15,20-21,23,29H,4,13-14H2,1-3H3,(H,30,31)/t15-,20+,21-,23+,25+/m0/s1
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n/an/a 760n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Activity at p53 in human SJSA1 cells assessed as induction of p21 mRNA expression after 7 hrs by qRT-PCR analysis in presence of 10% human serum


J Med Chem 55: 4936-54 (2012)

More data for this
Ligand-Target Pair
CREB-binding protein/p53


(Homo sapiens (human))
BDBM50430837
PNG
(CHEMBL2335154)
Show SMILES Cc1noc(C)c1-c1cc(O)cc(c1)[C@@H](O)c1ccccc1
Show InChI InChI=1S/C18H17NO3/c1-11-17(12(2)22-19-11)14-8-15(10-16(20)9-14)18(21)13-6-4-3-5-7-13/h3-10,18,20-21H,1-2H3/t18-/m0/s1
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n/an/a 771n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Binding affinity to CREBBP bromodomain (unknown origin) using H3K56Ac peptide by amplified luminescent proximity homogeneous assay


J Med Chem 56: 3217-27 (2013)

More data for this
Ligand-Target Pair
CREB-binding protein/p53


(Homo sapiens (human))
BDBM50178183
PNG
(CHEMBL3813713)
Show SMILES C[C@@H](NC(=O)c1cccc2NC(=O)C[C@@H](C)Nc12)c1ccccc1
Show InChI InChI=1/C19H21N3O2/c1-12-11-17(23)22-16-10-6-9-15(18(16)20-12)19(24)21-13(2)14-7-4-3-5-8-14/h3-10,12-13,20H,11H2,1-2H3,(H,21,24)(H,22,23)/t12-,13-/s2
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n/an/a 900n/an/an/an/an/an/a



Constellation Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of biotinylated ligand from recombinant His-tagged CBP (unknown origin) incubated for 10 mins by TR-FRET assay


ACS Med Chem Lett 7: 531-6 (2016)

More data for this
Ligand-Target Pair
CREB-binding protein/p53


(Homo sapiens (human))
BDBM150024
PNG
(US8975417, 81)
Show SMILES Cc1c2C(N(C(=O)c2nn1-c1cccnc1C)c1cc(C)c(=O)n(C)c1)c1ccc(Cl)cc1
Show InChI InChI=1/C25H22ClN5O2/c1-14-12-19(13-29(4)24(14)32)30-23(17-7-9-18(26)10-8-17)21-16(3)31(28-22(21)25(30)33)20-6-5-11-27-15(20)2/h5-13,23H,1-4H3
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n/an/a 920n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
In order to assess bromodomain selectivity, we set up a binding assay using the bromodomain encoded by the CREBBP gene. Compounds were tested in the ...


US Patent US8975417 (2015)

More data for this
Ligand-Target Pair
CREB-binding protein/p53


(Homo sapiens (human))
BDBM150012
PNG
(US8975417, 68)
Show SMILES CCc1c2C(N(C(=O)c2nn1C1CC1)c1cc(C)c(=O)n(C)c1)c1ccc(Cl)cc1
Show InChI InChI=1/C23H23ClN4O2/c1-4-18-19-20(25-28(18)16-9-10-16)23(30)27(17-11-13(2)22(29)26(3)12-17)21(19)14-5-7-15(24)8-6-14/h5-8,11-12,16,21H,4,9-10H2,1-3H3
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n/an/a 950n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
In order to assess bromodomain selectivity, we set up a binding assay using the bromodomain encoded by the CREBBP gene. Compounds were tested in the ...


US Patent US8975417 (2015)

More data for this
Ligand-Target Pair
CREB-binding protein/p53


(Homo sapiens (human))
BDBM149981
PNG
(US8975417, 37 | US8975417, 39)
Show SMILES Cn1cc(cc(Cl)c1=O)N1C(c2cn(nc2C1=O)C1CC1)c1ccc(Cl)cc1
Show InChI InChI=1/C20H16Cl2N4O2/c1-24-9-14(8-16(22)19(24)27)26-18(11-2-4-12(21)5-3-11)15-10-25(13-6-7-13)23-17(15)20(26)28/h2-5,8-10,13,18H,6-7H2,1H3
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n/an/a 960n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
In order to assess bromodomain selectivity, we set up a binding assay using the bromodomain encoded by the CREBBP gene. Compounds were tested in the ...


US Patent US8975417 (2015)

More data for this
Ligand-Target Pair
CREB-binding protein/p53


(Homo sapiens (human))
BDBM50148556
PNG
(CHEMBL3770322)
Show SMILES CCOc1ccc(cc1NC(=O)c1cc(COC2CCCCO2)cc(c1)C(O)=O)C(C)=O
Show InChI InChI=1/C24H27NO7/c1-3-30-21-8-7-17(15(2)26)13-20(21)25-23(27)18-10-16(11-19(12-18)24(28)29)14-32-22-6-4-5-9-31-22/h7-8,10-13,22H,3-6,9,14H2,1-2H3,(H,25,27)(H,28,29)
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n/an/a 1.00E+3n/an/an/an/an/an/a



University of Z£rich

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-tagged CREBBP using non acetylated ligand 1 as substrate incubated for 2 hrs by TR-FRET assay


J Med Chem 59: 1350-6 (2016)

More data for this
Ligand-Target Pair
CREB-binding protein/p53


(Homo sapiens (human))
BDBM50148554
PNG
(CHEMBL3770598)
Show SMILES CCOc1ccc(cc1NC(=O)c1cc(cc(c1)-c1ccoc1)C(O)=O)C(C)=O
Show InChI InChI=1S/C22H19NO6/c1-3-29-20-5-4-14(13(2)24)11-19(20)23-21(25)17-8-16(15-6-7-28-12-15)9-18(10-17)22(26)27/h4-12H,3H2,1-2H3,(H,23,25)(H,26,27)
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n/an/a 1.00E+3n/an/an/an/an/an/a



University of Z£rich

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-tagged CREBBP using non acetylated ligand 1 as substrate incubated for 2 hrs by TR-FRET assay


J Med Chem 59: 1350-6 (2016)

More data for this
Ligand-Target Pair
CREB-binding protein/p53


(Homo sapiens (human))
BDBM50397771
PNG
(CHEMBL2059300)
Show SMILES CC[C@H](N1[C@@H]([C@H](C[C@](C)(CC(O)=O)C1=O)c1cccc(Cl)c1)c1ccc(Cl)cc1)C(=O)OC(C)(C)C
Show InChI InChI=1S/C28H33Cl2NO5/c1-6-22(25(34)36-27(2,3)4)31-24(17-10-12-19(29)13-11-17)21(18-8-7-9-20(30)14-18)15-28(5,26(31)35)16-23(32)33/h7-14,21-22,24H,6,15-16H2,1-5H3,(H,32,33)/t21-,22+,24-,28-/m1/s1
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n/an/a 1.00E+3n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Activity at p53 in human HCT116 cells expressing wild type p53 assessed as induction of p21 mRNA expression after 7 hrs by RT-PCR analysis


J Med Chem 55: 4936-54 (2012)

More data for this
Ligand-Target Pair
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