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Compile Data Set for Download or QSAR

Found 1639 hits Enz. Inhib. hit(s) with Target = 'CREB-binding protein'   
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
CREB-binding protein


(Homo sapiens (Human))
BDBM50443232
PNG
(CHEMBL3086883)
Show SMILES Cc1cc(N=Nc2ccc(cc2)S(=O)(=O)Nc2ccccn2)c(N)cc1O |w:4.3|
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)


Article DOI: 10.1021/jm401334s
BindingDB Entry DOI: 10.7270/Q2ZW1NCF
More data for this
Ligand-Target Pair
CREB-binding protein


(Homo sapiens (Human))
BDBM50443231
PNG
(CHEMBL3086884)
Show SMILES Cc1cc(N=Nc2ccc(cc2)S(=O)(=O)Nc2ccccn2)c(N)c(C)c1O |w:4.3|
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)


Article DOI: 10.1021/jm401334s
BindingDB Entry DOI: 10.7270/Q2ZW1NCF
More data for this
Ligand-Target Pair
CREB-binding protein


(Homo sapiens (Human))
BDBM50443230
PNG
(CHEMBL3086885)
Show SMILES Cc1cc(N=Nc2ccc(cc2)S(=O)(=O)Nc2ccccn2)c(N)c(Cl)c1O |w:4.3|
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)


Article DOI: 10.1021/jm401334s
BindingDB Entry DOI: 10.7270/Q2ZW1NCF
More data for this
Ligand-Target Pair
CREB-binding protein


(Homo sapiens (Human))
BDBM50443233
PNG
(CHEMBL3087052)
Show SMILES Cc1cc(cc(C)c1O)N=Nc1ccc(cc1)S(=O)(=O)Nc1ccccn1 |w:9.9|
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)


Article DOI: 10.1021/jm401334s
BindingDB Entry DOI: 10.7270/Q2ZW1NCF
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 |t:6|
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)


Article DOI: 10.1021/jm900681h
BindingDB Entry DOI: 10.7270/Q2ZK5GRQ
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 |c:9|
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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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)


Article DOI: 10.1021/jm900681h
BindingDB Entry DOI: 10.7270/Q2ZK5GRQ
More data for this
Ligand-Target Pair
CREB-binding protein


(Homo sapiens (Human))
BDBM340748
PNG
(US9763922, Example 274)
Show SMILES CNC(=O)N1CCc2c(C1)c(Nc1cc(C(F)F)c(cc1F)-c1cnn(C)c1)nn2C1CCN(CC1)C(C)=O
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n/an/a 1n/an/an/an/an/an/a



GENENTECH, INC.; CONSTELLATION PHARMACEUTICALS, INC.

US Patent




US Patent US9763922 (2017)

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


(Homo sapiens (Human))
BDBM340734
PNG
(3-[5-(difluoromethyl)-2-fluoro-4-(1-methylpyrazol-...)
Show SMILES CNC(=O)N1CCc2c(C1)c(Nc1cc(C(F)F)c(cc1F)-c1cnn(C)c1)nn2C1CCOCC1
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n/an/a 1n/an/an/an/an/an/a



GENENTECH, INC.; CONSTELLATION PHARMACEUTICALS, INC.

US Patent




US Patent US9763922 (2017)

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 |t:6|
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)


Article DOI: 10.1021/jm900681h
BindingDB Entry DOI: 10.7270/Q2ZK5GRQ
More data for this
Ligand-Target Pair
CREB-binding protein


(Homo sapiens (Human))
BDBM340716
PNG
(1-[3-[5-(difluoromethyl)-2-fluoro-4-(1-methylpyraz...)
Show SMILES CC(=O)N1CCc2c(C1)c(Nc1cc(C(F)F)c(cc1F)-c1cnn(C)c1)nn2C1CCOCC1
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n/an/a 2n/an/an/an/an/an/a



GENENTECH, INC.; CONSTELLATION PHARMACEUTICALS, INC.

US Patent




US Patent US9763922 (2017)

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


(Homo sapiens (Human))
BDBM340730
PNG
(3-[5-(difluoromethyl)-2-fluoro-4-(1-methylpyrazol-...)
Show SMILES Cn1cc(cn1)-c1cc(F)c(Nc2nn(C3CCOCC3)c3CCN(Cc23)C(N)=O)cc1C(F)F
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n/an/a 2n/an/an/an/an/an/a



GENENTECH, INC.; CONSTELLATION PHARMACEUTICALS, INC.

US Patent




US Patent US9763922 (2017)

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


(Homo sapiens (Human))
BDBM340747
PNG
(3-[5-(difluoromethyl)-2-fluoro-4-(1-methylpyrazol-...)
Show SMILES CNC(=O)N1CCc2c(C1)c(Nc1cc(C(F)F)c(cc1F)-c1cnn(C)c1)nn2C1CCS(=O)(=O)CC1
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n/an/a 2n/an/an/an/an/an/a



GENENTECH, INC.; CONSTELLATION PHARMACEUTICALS, INC.

US Patent




US Patent US9763922 (2017)

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


(Homo sapiens (Human))
BDBM340746
PNG
(US9763922, Example 272)
Show SMILES CNC(=O)N1CCc2c(C1)c(Nc1cc(C(F)F)c(cc1F)-c1ccc(nc1)C(=O)NC)nn2C1CCOCC1
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n/an/a 2n/an/an/an/an/an/a



GENENTECH, INC.; CONSTELLATION PHARMACEUTICALS, INC.

US Patent




US Patent US9763922 (2017)

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


(Homo sapiens (Human))
BDBM340740
PNG
(US9763922, Example 266)
Show SMILES CNC(=O)N1CCc2c(C1)c(Nc1cc(C(F)F)c(cc1F)-c1ccnc(OC)c1)nn2C1CCOCC1
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n/an/a 2n/an/an/an/an/an/a



GENENTECH, INC.; CONSTELLATION PHARMACEUTICALS, INC.

US Patent




US Patent US9763922 (2017)

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 |c:9|
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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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)


Article DOI: 10.1021/jm900681h
BindingDB Entry DOI: 10.7270/Q2ZK5GRQ
More data for this
Ligand-Target Pair
CREB-binding protein


(Homo sapiens (Human))
BDBM340731
PNG
(US9763922, Example 257)
Show SMILES Cn1cc(cn1)-c1cc(F)c(Nc2nn([C@H]3CCOC3)c3CCN(Cc23)C(N)=O)cc1C(F)F |r|
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n/an/a 3n/an/an/an/an/an/a



GENENTECH, INC.; CONSTELLATION PHARMACEUTICALS, INC.

US Patent




US Patent US9763922 (2017)

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


(Homo sapiens (Human))
BDBM340735
PNG
(US9763922, Example 261)
Show SMILES CNC(=O)N1CCc2c(C1)c(Nc1cc(C(F)F)c(cc1F)-c1cnn(C)c1)nn2[C@H]1CCOC1 |r|
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n/an/a 3n/an/an/an/an/an/a



GENENTECH, INC.; CONSTELLATION PHARMACEUTICALS, INC.

US Patent




US Patent US9763922 (2017)

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


(Homo sapiens (Human))
BDBM340745
PNG
(US9763922, Example 271)
Show SMILES CNC(=O)N1CCc2c(C1)c(Nc1cc(cc(c1)S(=O)(=O)N(C)C)-c1cnn(C)c1)nn2C1CCOCC1
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GENENTECH, INC.; CONSTELLATION PHARMACEUTICALS, INC.

US Patent




US Patent US9763922 (2017)

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


(Homo sapiens (Human))
BDBM349503
PNG
(5-[7-(difluoromethyl)-1-[(4R)-4-methyl-2-oxo-1,3,4...)
Show SMILES CNC(=O)c1ccc(cn1)-c1cc2CCCN(c2cc1C(F)F)c1cccc2NC(=O)C[C@@H](C)Nc12 |r|
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n/an/a 3n/an/an/an/an/an/a



GENENTECH, INC.; CONSTELLATION PHARMACEUTICALS, INC.

US Patent




US Patent US10206931 (2019)


Article DOI: 10.1021/jm060653b
More data for this
Ligand-Target Pair
CREB-binding protein


(Homo sapiens (Human))
BDBM349496
PNG
((difluoromethyl)-5-(1- | US10206931, Example 304)
Show SMILES CN\C=C(/C=N)c1cc2CCN(c2cc1C(F)F)c1cccc2NC(=O)C[C@@H](C)Nc12 |r|
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GENENTECH, INC.; CONSTELLATION PHARMACEUTICALS, INC.

US Patent




US Patent US10206931 (2019)


Article DOI: 10.1021/jm060653b
More data for this
Ligand-Target Pair
CREB-binding protein


(Homo sapiens (Human))
BDBM349498
PNG
(1-methyl-4-[(4R)-4-methyl-2-oxo-1,3,4,5-tetrahydro...)
Show SMILES CN\C=C(/C=N)c1cc2N(C)CCN(c3cccc4NC(=O)C[C@@H](C)Nc34)c2cc1C#N |r|
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GENENTECH, INC.; CONSTELLATION PHARMACEUTICALS, INC.

US Patent




US Patent US10206931 (2019)


Article DOI: 10.1021/jm060653b
More data for this
Ligand-Target Pair
CREB-binding protein


(Homo sapiens (Human))
BDBM349500
PNG
((R,R)-6-[7-(difluoromethyl)-4-methyl-6-(l-methylpy...)
Show SMILES CN\C=C(/C=N)c1cc2[C@@H](C)CCN(c2cc1C(F)F)c1cccc2NC(=O)C[C@@H](C)Nc12 |r|
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GENENTECH, INC.; CONSTELLATION PHARMACEUTICALS, INC.

US Patent




US Patent US10206931 (2019)


Article DOI: 10.1021/jm060653b
More data for this
Ligand-Target Pair
CREB-binding protein


(Homo sapiens (Human))
BDBM349483
PNG
((difluoromethyl)-6-(1- | US10206931, Example 291)
Show SMILES CN\C=C(/C=N)c1cc2CCCN(c2cc1C(F)F)c1cccc2NC(=O)C[C@@H](C)Nc12 |r|
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n/an/a 3n/an/an/an/an/an/a



GENENTECH, INC.; CONSTELLATION PHARMACEUTICALS, INC.

US Patent




US Patent US10206931 (2019)


Article DOI: 10.1021/jm060653b
More data for this
Ligand-Target Pair
CREB-binding protein


(Homo sapiens (Human))
BDBM340726
PNG
(1-[3-[5-(difluoromethyl)-2-fluoro-4-(1-methylpyraz...)
Show SMILES CCC(=O)N1CCc2c(C1)c(Nc1cc(C(F)F)c(cc1F)-c1cnn(C)c1)nn2C1CCOCC1
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n/an/a 4n/an/an/an/an/an/a



GENENTECH, INC.; CONSTELLATION PHARMACEUTICALS, INC.

US Patent




US Patent US9763922 (2017)

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


(Homo sapiens (Human))
BDBM349497
PNG
((4R)-6-[7-(difluoromethyl)-6-(1-methylpyrazol-4-yl...)
Show SMILES CN\C=C(/C=N)c1cc2CCCN(c2cc1C(F)F)c1nccc2NC(=O)C[C@@H](C)Nc12 |r|
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n/an/a 4n/an/an/an/an/an/a



GENENTECH, INC.; CONSTELLATION PHARMACEUTICALS, INC.

US Patent




US Patent US10206931 (2019)


Article DOI: 10.1021/jm060653b
More data for this
Ligand-Target Pair
CREB-binding protein


(Homo sapiens (Human))
BDBM349484
PNG
(US10206931, Example 292 | oxo-1,3,4,5-tetrahydro-)
Show SMILES CN\C=C(/C=N)c1cc2CCCN(c2cc1C#N)c1cccc2NC(=O)C[C@@H](C)Nc12 |r|
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n/an/a 4n/an/an/an/an/an/a



GENENTECH, INC.; CONSTELLATION PHARMACEUTICALS, INC.

US Patent




US Patent US10206931 (2019)


Article DOI: 10.1021/jm060653b
More data for this
Ligand-Target Pair
CREB-binding protein


(Homo sapiens (Human))
BDBM340742
PNG
(US9763922, Example 268)
Show SMILES CNC(=O)N1CCc2c(C1)c(Nc1cc(F)c(cc1F)-c1cnn(C)c1)nn2C1CCOCC1
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n/an/a 4n/an/an/an/an/an/a



GENENTECH, INC.; CONSTELLATION PHARMACEUTICALS, INC.

US Patent




US Patent US9763922 (2017)

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


(Homo sapiens (Human))
BDBM340743
PNG
(US9763922, Example 269)
Show SMILES CNC(=O)N1CCc2c(C1)c(Nc1cc(C#N)c(cc1F)-c1cnn(C)c1)nn2C1CCOCC1
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n/an/a 5n/an/an/an/an/an/a



GENENTECH, INC.; CONSTELLATION PHARMACEUTICALS, INC.

US Patent




US Patent US9763922 (2017)

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


(Homo sapiens (Human))
BDBM340739
PNG
(US9763922, Example 265)
Show SMILES CNC(=O)N1CCc2c(C1)c(Nc1ccc(cc1F)-c1cn(C)nc1C(F)(F)F)nn2C1CCOCC1
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n/an/a 5n/an/an/an/an/an/a



GENENTECH, INC.; CONSTELLATION PHARMACEUTICALS, INC.

US Patent




US Patent US9763922 (2017)

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


(Homo sapiens (Human))
BDBM349491
PNG
((difluoromethyl)-2- | US10206931, Example 299)
Show SMILES CN\C=C(/C=N)c1cc(F)c(Nc2cccc3NC(=O)C[C@@H](C)Nc23)cc1C(F)F |r|
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US Patent
n/an/a 6n/an/an/an/an/an/a



GENENTECH, INC.; CONSTELLATION PHARMACEUTICALS, INC.

US Patent




US Patent US10206931 (2019)


Article DOI: 10.1021/jm060653b
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 |t:10|
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)


Article DOI: 10.1021/jm900681h
BindingDB Entry DOI: 10.7270/Q2ZK5GRQ
More data for this
Ligand-Target Pair
CREB-binding protein


(Homo sapiens (Human))
BDBM340698
PNG
(1-[3-[5-(difluoromethyl)-2-fluoro-4-(1-methylpyraz...)
Show SMILES CC(=O)N1CCc2c(C1)c(Nc1cc(C(F)F)c(cc1F)-c1cnn(C)c1)nn2C1COC1
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n/an/a 7n/an/an/an/an/an/a



GENENTECH, INC.; CONSTELLATION PHARMACEUTICALS, INC.

US Patent




US Patent US9763922 (2017)

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


(Homo sapiens (Human))
BDBM349501
PNG
((R,S)-6-[7-(difluoromethyl)-3-methyl-6-(1-methylpy...)
Show SMILES CN\C=C(/C=N)c1cc2C[C@H](C)CN(c2cc1C(F)F)c1cccc2NC(=O)C[C@@H](C)Nc12 |r|
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n/an/a 7n/an/an/an/an/an/a



GENENTECH, INC.; CONSTELLATION PHARMACEUTICALS, INC.

US Patent




US Patent US10206931 (2019)


Article DOI: 10.1021/jm060653b
More data for this
Ligand-Target Pair
CREB-binding protein


(Homo sapiens (Human))
BDBM340715
PNG
(US9763922, Example 241)
Show SMILES CC(=O)N1CCc2c(C1)c(Nc1cc(C(F)F)c(cc1F)-c1cnn(C)c1)nn2C1CCOC1
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n/an/a 7n/an/an/an/an/an/a



GENENTECH, INC.; CONSTELLATION PHARMACEUTICALS, INC.

US Patent




US Patent US9763922 (2017)

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


(Homo sapiens (Human))
BDBM340763
PNG
(US9763922, Example 289)
Show SMILES CC(=O)N1CCc2c(C1)c(Nc1ccc(-c3cnn(C)c3)c(c1)C(F)F)nn2C1CCOC1
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n/an/a 8n/an/an/an/an/an/a



GENENTECH, INC.; CONSTELLATION PHARMACEUTICALS, INC.

US Patent




US Patent US9763922 (2017)

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


(Homo sapiens (Human))
BDBM349486
PNG
(US10206931, Example 294 | methyl-6-(1-)
Show SMILES CN\C=C(/C=N)c1ccc2N(CC[C@H](C)c2c1)c1cccc2NC(=O)C[C@@H](C)Nc12 |r|
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n/an/a 9n/an/an/an/an/an/a



GENENTECH, INC.; CONSTELLATION PHARMACEUTICALS, INC.

US Patent




US Patent US10206931 (2019)


Article DOI: 10.1021/jm060653b
More data for this
Ligand-Target Pair
CREB-binding protein


(Homo sapiens (Human))
BDBM349504
PNG
((4R)-4-methyl-6-[3-(1-methylpyrazol-1-yl)-8-isoqui...)
Show SMILES CN\C=C(/C=N)c1cc2cccc(-c3cccc4NC(=O)C[C@@H](C)Nc34)c2cn1 |r|
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n/an/a 9n/an/an/an/an/an/a



GENENTECH, INC.; CONSTELLATION PHARMACEUTICALS, INC.

US Patent




US Patent US10206931 (2019)


Article DOI: 10.1021/jm060653b
More data for this
Ligand-Target Pair
CREB-binding protein


(Homo sapiens (Human))
BDBM349488
PNG
(US10206931, Example 296 | methylpyrazol-4-)
Show SMILES CN\C=C(/C=N)c1cccc(Nc2cccc3NC(=O)C[C@@H](C)Nc23)c1 |r|
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n/an/a 9n/an/an/an/an/an/a



GENENTECH, INC.; CONSTELLATION PHARMACEUTICALS, INC.

US Patent




US Patent US10206931 (2019)


Article DOI: 10.1021/jm060653b
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 |c:9|
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)


Article DOI: 10.1021/jm900681h
BindingDB Entry DOI: 10.7270/Q2ZK5GRQ
More data for this
Ligand-Target Pair
CREB-binding protein


(Homo sapiens (Human))
BDBM340490
PNG
(US9763922, Example 21)
Show SMILES CNC1=C(CN(CC1)C(C)=O)C(=N)Nc1cc(C)cc(c1)-c1cnn(C)c1 |t:2|
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n/an/a 10n/an/an/an/an/an/a



GENENTECH, INC.; CONSTELLATION PHARMACEUTICALS, INC.

US Patent




US Patent US9763922 (2017)

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


(Homo sapiens (Human))
BDBM340773
PNG
(US9763922, Example 297)
Show SMILES CC(=O)N1CCc2c(C1)c(Nc1ccc(cc1F)-c1cn(C)nc1C(F)(F)F)nn2[C@@H]1CCOC1 |r|
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n/an/a 10n/an/an/an/an/an/a



GENENTECH, INC.; CONSTELLATION PHARMACEUTICALS, INC.

US Patent




US Patent US9763922 (2017)

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


(Homo sapiens (Human))
BDBM340503
PNG
(1-[3-[2-fluoro-4-[1-methyl-3-(trifluoromethyl)pyra...)
Show SMILES CC(=O)N1CCc2c(C1)c(Nc1ccc(cc1F)-c1cn(C)nc1C(F)(F)F)nn2C
PDB
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n/an/a 10n/an/an/an/an/an/a



GENENTECH, INC.; CONSTELLATION PHARMACEUTICALS, INC.

US Patent




US Patent US9763922 (2017)

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


(Homo sapiens (Human))
BDBM340504
PNG
(US9763922, Example 35)
Show SMILES CC(=O)N1CCc2c(C1)c(Nc1cccc(c1)-c1cn(C)nc1C(C)(F)F)nn2C
PDB
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n/an/a 10n/an/an/an/an/an/a



GENENTECH, INC.; CONSTELLATION PHARMACEUTICALS, INC.

US Patent




US Patent US9763922 (2017)

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


(Homo sapiens (Human))
BDBM340507
PNG
(US9763922, Example 38)
Show SMILES CC(=O)N1CCc2c(C1)c(Nc1ccc(F)c(c1)-c1cnn(C)c1)nn2CC1CC1
PDB
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n/an/a 10n/an/an/an/an/an/a



GENENTECH, INC.; CONSTELLATION PHARMACEUTICALS, INC.

US Patent




US Patent US9763922 (2017)

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


(Homo sapiens (Human))
BDBM340509
PNG
(US9763922, Example 40)
Show SMILES CC(=O)N1CCc2c(C1)c(Nc1cc(ccc1F)-c1cnn(C)c1)nn2CC1CC1
PDB
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n/an/a 10n/an/an/an/an/an/a



GENENTECH, INC.; CONSTELLATION PHARMACEUTICALS, INC.

US Patent




US Patent US9763922 (2017)

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


(Homo sapiens (Human))
BDBM340521
PNG
(US9763922, Example 52)
Show SMILES CC(=O)N1CCc2c(C1)c(Nc1ccc(-c3cnn(C)c3)c(F)c1)nn2C1CCOC1
PDB
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n/an/a 10n/an/an/an/an/an/a



GENENTECH, INC.; CONSTELLATION PHARMACEUTICALS, INC.

US Patent




US Patent US9763922 (2017)

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


(Homo sapiens (Human))
BDBM340524
PNG
(1-(3-((2-fluoro-4-(1-methyl-3-(trifluoromethyl)-1H...)
Show SMILES CC(=O)N1CCc2c(C1)c(Nc1ccc(cc1F)-c1cn(C)nc1C(F)(F)F)nn2C1CCOC1
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n/an/a 10n/an/an/an/an/an/a



GENENTECH, INC.; CONSTELLATION PHARMACEUTICALS, INC.

US Patent




US Patent US9763922 (2017)

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


(Homo sapiens (Human))
BDBM340525
PNG
(US9763922, Example 56)
Show SMILES CC(=O)N1CCc2c(C1)c(Nc1ccc(cc1)-c1cn(C)nc1C(F)(F)F)nn2C1CCOC1
PDB
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n/an/a 10n/an/an/an/an/an/a



GENENTECH, INC.; CONSTELLATION PHARMACEUTICALS, INC.

US Patent




US Patent US9763922 (2017)

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


(Homo sapiens (Human))
BDBM340526
PNG
(US9763922, Example 57)
Show SMILES CN\C=C(/C(=N)C(F)(F)F)c1ccc(NC(=N)C2=C(CCN(C2)C(C)=O)NC2CCOC2)cn1 |t:17|
PDB
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n/an/a 10n/an/an/an/an/an/a



GENENTECH, INC.; CONSTELLATION PHARMACEUTICALS, INC.

US Patent




US Patent US9763922 (2017)

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


(Homo sapiens (Human))
BDBM340528
PNG
(1-(1-cyclopropyl-3-((3-(1-methyl-1H-pyrazol-4-yl)p...)
Show SMILES CC(=O)N1CCc2c(C1)c(Nc1cccc(c1)-c1cnn(C)c1)nn2C1CC1
PDB
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n/an/a 10n/an/an/an/an/an/a



GENENTECH, INC.; CONSTELLATION PHARMACEUTICALS, INC.

US Patent




US Patent US9763922 (2017)

More data for this
Ligand-Target Pair
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