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Compile Data Set for Download or QSAR

Found 4188 hits of ic50 data for polymerid = 2205   
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))
BDBM537094
PNG
(US11247989, Example 92)
Show SMILES CNC(=O)N1CCc2c(C1)c(nn2C1CCOCC1)-c1cccc2cc(ncc12)-c1ccc(nc1)C(=O)NC
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n/an/a 0.760n/an/an/an/an/an/a


TBA

Assay Description
His/Flag epitope tagged CBP was cloned, expressed, and purified to homogeneity. CBP binding and inhibition was assessed by monitoring the engagement ...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2X63R43
More data for this
Ligand-Target Pair
CREB-binding protein


(Homo sapiens (Human))
BDBM50453957
PNG
(CHEMBL4217213)
Show SMILES CNC(=O)N1CCc2c(C1)c(nn2C1CCOCC1)-c1cccc2cc(-c3cnn(C)c3)c(cc12)C(F)F
Show InChI InChI=1S/C28H30F2N6O2/c1-31-28(37)35-9-6-25-24(16-35)26(33-36(25)19-7-10-38-11-8-19)20-5-3-4-17-12-21(18-14-32-34(2)15-18)23(27(29)30)13-22(17)20/h3-5,12-15,19,27H,6-11,16H2,1-2H3,(H,31,37)
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n/an/a 0.900n/an/an/an/an/an/a



WuXi AppTec Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of recombinant His-tagged CBP (unknown origin) by TR-FRET assay


Bioorg Med Chem Lett 28: 15-23 (2018)


Article DOI: 10.1016/j.bmcl.2017.11.025
BindingDB Entry DOI: 10.7270/Q2ZG6VVZ
More data for this
Ligand-Target Pair
CREB-binding protein


(Homo sapiens (Human))
BDBM537100
PNG
(US11247989, Example 93)
Show SMILES CNC(=O)N1CCc2c(C1)c(nn2C1CCOCC1)-c1cccc2cc(ncc12)-c1cnn(C)c1
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n/an/a 0.910n/an/an/an/an/an/a


TBA

Assay Description
His/Flag epitope tagged CBP was cloned, expressed, and purified to homogeneity. CBP binding and inhibition was assessed by monitoring the engagement ...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2X63R43
More data for this
Ligand-Target Pair
CREB-binding protein


(Homo sapiens (Human))
BDBM50269847
PNG
(CHEMBL4097025)
Show SMILES CNC(=O)N1CCc2c(C1)c(nn2C1CCOCC1)N1CCCc2cc(-c3cnn(C)c3)c(cc12)C(F)F
Show InChI InChI=1S/C27H33F2N7O2/c1-30-27(37)34-9-5-23-22(16-34)26(32-36(23)19-6-10-38-11-7-19)35-8-3-4-17-12-20(18-14-31-33(2)15-18)21(25(28)29)13-24(17)35/h12-15,19,25H,3-11,16H2,1-2H3,(H,30,37)
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n/an/a 0.940n/an/an/an/an/an/a



Genentech, Inc. , 1 DNA Way, South San Francisco, California 94080, United States.

Curated by ChEMBL


Assay Description
Displacement of biotinylated histone H3K14 peptide ligand from human recombinant His-tagged CBP measured after 10 mins by TR-FRET assay


J Med Chem 60: 9162-9183 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00796
BindingDB Entry DOI: 10.7270/Q23F4S4V
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
CREB-binding protein


(Homo sapiens (Human))
BDBM536872
PNG
(1-(1-acetylpiperidin-4-yl)-N-methyl-3-(3-(2-methyl...)
Show SMILES CNC(=O)N1CCc2c(C1)c(nn2C1CCN(CC1)C(C)=O)-c1cccc2cc(ncc12)-c1cnc(C)s1
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n/an/a 0.970n/an/an/an/an/an/a


TBA

Assay Description
His/Flag epitope tagged CBP was cloned, expressed, and purified to homogeneity. CBP binding and inhibition was assessed by monitoring the engagement ...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2X63R43
More data for this
Ligand-Target Pair
CREB-binding protein


(Homo sapiens (Human))
BDBM50453949
PNG
(CHEMBL4208820 | US11247989, Example 87)
Show SMILES CNC(=O)c1ccc(cn1)-c1cc2cccc(-c3nn(C4CCOCC4)c4CCN(Cc34)C(C)=O)c2cn1
Show InChI InChI=1S/C29H30N6O3/c1-18(36)34-11-8-27-24(17-34)28(33-35(27)21-9-12-38-13-10-21)22-5-3-4-19-14-26(32-16-23(19)22)20-6-7-25(31-15-20)29(37)30-2/h3-7,14-16,21H,8-13,17H2,1-2H3,(H,30,37)
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n/an/a 0.997n/an/an/an/an/an/a


TBA

Assay Description
His/Flag epitope tagged CBP was cloned, expressed, and purified to homogeneity. CBP binding and inhibition was assessed by monitoring the engagement ...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2X63R43
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
Show InChI InChI=1S/C26H31F3N8O2/c1-15(38)35-7-4-17(5-8-35)37-23-6-9-36(26(39)30-2)14-20(23)25(33-37)32-22-11-19(24(28)29)18(10-21(22)27)16-12-31-34(3)13-16/h10-13,17,24H,4-9,14H2,1-3H3,(H,30,39)(H,32,33)
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n/an/a 1n/an/an/an/an/an/a



GENENTECH, INC.; CONSTELLATION PHARMACEUTICALS, INC.

US Patent


Assay Description
His/Flag epitope tagged CBP was cloned, expressed, and purified to homogeneity. CBP binding and inhibition was assessed by monitoring the engagement ...


US Patent US9763922 (2017)


BindingDB Entry DOI: 10.7270/Q23N25G6
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
Show InChI InChI=1S/C24H28F3N7O2/c1-28-24(35)33-6-3-21-18(13-33)23(31-34(21)15-4-7-36-8-5-15)30-20-10-17(22(26)27)16(9-19(20)25)14-11-29-32(2)12-14/h9-12,15,22H,3-8,13H2,1-2H3,(H,28,35)(H,30,31)
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GENENTECH, INC.; CONSTELLATION PHARMACEUTICALS, INC.

US Patent


Assay Description
His/Flag epitope tagged CBP was cloned, expressed, and purified to homogeneity. CBP binding and inhibition was assessed by monitoring the engagement ...


US Patent US9763922 (2017)


BindingDB Entry DOI: 10.7270/Q23N25G6
More data for this
Ligand-Target Pair
CREB-binding protein


(Homo sapiens (Human))
BDBM50269848
PNG
(CHEMBL4069831)
Show SMILES Cn1cc(cn1)-c1cc2CCCN(c3nn(C4CCOCC4)c4CCN(Cc34)C(N)=O)c2cc1C(F)F
Show InChI InChI=1S/C26H31F2N7O2/c1-32-14-17(13-30-32)19-11-16-3-2-7-34(23(16)12-20(19)24(27)28)25-21-15-33(26(29)36)8-4-22(21)35(31-25)18-5-9-37-10-6-18/h11-14,18,24H,2-10,15H2,1H3,(H2,29,36)
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Genentech, Inc. , 1 DNA Way, South San Francisco, California 94080, United States.

Curated by ChEMBL


Assay Description
Displacement of biotinylated histone H3K14 peptide ligand from human recombinant His-tagged CBP measured after 10 mins by TR-FRET assay


J Med Chem 60: 9162-9183 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00796
BindingDB Entry DOI: 10.7270/Q23F4S4V
More data for this
Ligand-Target Pair
CREB-binding protein


(Homo sapiens (Human))
BDBM50269857
PNG
(CHEMBL4088793)
Show SMILES CC(=O)N1CCC(CC1)n1nc(N2CCCc3cc(-c4cnn(C)c4)c(cc23)C(F)F)c2CN(CCc12)C(C)=O
Show InChI InChI=1S/C29H35F2N7O2/c1-18(39)35-10-6-22(7-11-35)38-26-8-12-36(19(2)40)17-25(26)29(33-38)37-9-4-5-20-13-23(21-15-32-34(3)16-21)24(28(30)31)14-27(20)37/h13-16,22,28H,4-12,17H2,1-3H3
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n/an/a 1n/an/an/an/an/an/a



Genentech, Inc. , 1 DNA Way, South San Francisco, California 94080, United States.

Curated by ChEMBL


Assay Description
Displacement of biotinylated histone H3K14 peptide ligand from human recombinant His-tagged CBP measured after 10 mins by TR-FRET assay


J Med Chem 60: 9162-9183 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00796
BindingDB Entry DOI: 10.7270/Q23F4S4V
More data for this
Ligand-Target Pair
CREB-binding protein


(Homo sapiens (Human))
BDBM537101
PNG
(US11247989, Example 94)
Show SMILES CNC(=O)N1CCc2c(C1)c(nn2C1CCOCC1)-c1cccc2cc(ncc12)-c1cnc(C)s1
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n/an/a 1n/an/an/an/an/an/a


TBA

Assay Description
His/Flag epitope tagged CBP was cloned, expressed, and purified to homogeneity. CBP binding and inhibition was assessed by monitoring the engagement ...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2X63R43
More data for this
Ligand-Target Pair
CREB-binding protein


(Homo sapiens (Human))
BDBM536819
PNG
(3-(6-(difluoromethyl)-7-(1-methyl-1H-pyrazol-4-yl)...)
Show SMILES CNC(=O)N1CCc2c(C1)c(nn2C1CCOCC1)-c1cncc2cc(-c3cnn(C)c3)c(cc12)C(F)F
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n/an/a 1.07n/an/an/an/an/an/a


TBA

Assay Description
His/Flag epitope tagged CBP was cloned, expressed, and purified to homogeneity. CBP binding and inhibition was assessed by monitoring the engagement ...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2X63R43
More data for this
Ligand-Target Pair
CREB-binding protein


(Homo sapiens (Human))
BDBM537087
PNG
(US11247989, Example 90)
Show SMILES CC(=O)N1CCc2c(C1)c(nn2C1CCOCC1)-c1cccc2cc(ncc12)-c1cnn(C)c1C
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n/an/a 1.10n/an/an/an/an/an/a


TBA

Assay Description
His/Flag epitope tagged CBP was cloned, expressed, and purified to homogeneity. CBP binding and inhibition was assessed by monitoring the engagement ...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2X63R43
More data for this
Ligand-Target Pair
CREB-binding protein


(Homo sapiens (Human))
BDBM50269849
PNG
(CHEMBL4076748)
Show SMILES CC(=O)N1CCc2c(C1)c(nn2C1CCOCC1)N1CCCc2cc(-c3cnn(C)c3)c(cc12)C(F)F
Show InChI InChI=1S/C27H32F2N6O2/c1-17(36)33-9-5-24-23(16-33)27(31-35(24)20-6-10-37-11-7-20)34-8-3-4-18-12-21(19-14-30-32(2)15-19)22(26(28)29)13-25(18)34/h12-15,20,26H,3-11,16H2,1-2H3
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n/an/a 1.10n/an/an/an/an/an/a



Genentech, Inc. , 1 DNA Way, South San Francisco, California 94080, United States.

Curated by ChEMBL


Assay Description
Displacement of biotinylated histone H3K14 peptide ligand from human recombinant His-tagged CBP measured after 10 mins by TR-FRET assay


J Med Chem 60: 9162-9183 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00796
BindingDB Entry DOI: 10.7270/Q23F4S4V
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
CREB-binding protein


(Homo sapiens (Human))
BDBM536735
PNG
(US11247989, Example 9)
Show SMILES CC(=O)N1CCc2c(C1)c(nn2C1CCOCC1)-c1ccc(C)c2cc(ncc12)-c1cnn(C)c1
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n/an/a 1.13n/an/an/an/an/an/a


TBA

Assay Description
His/Flag epitope tagged CBP was cloned, expressed, and purified to homogeneity. CBP binding and inhibition was assessed by monitoring the engagement ...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2X63R43
More data for this
Ligand-Target Pair
CREB-binding protein


(Homo sapiens (Human))
BDBM536741
PNG
(US11247989, Example 10)
Show SMILES CNC(=O)N1CCc2c(C1)c(nn2C1CCOCC1)-c1ccc(C)c2cc(ncc12)-c1cnn(C)c1
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n/an/a 1.15n/an/an/an/an/an/a


TBA

Assay Description
His/Flag epitope tagged CBP was cloned, expressed, and purified to homogeneity. CBP binding and inhibition was assessed by monitoring the engagement ...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2X63R43
More data for this
Ligand-Target Pair
CREB-binding protein


(Homo sapiens (Human))
BDBM50453950
PNG
(CHEMBL4203082 | US11247989, Example 88)
Show SMILES CC(=O)N1CCc2c(C1)c(nn2C1CCOCC1)-c1cccc2cc(ncc12)-c1cnn(C)c1
Show InChI InChI=1S/C26H28N6O2/c1-17(33)31-9-6-25-23(16-31)26(29-32(25)20-7-10-34-11-8-20)21-5-3-4-18-12-24(27-14-22(18)21)19-13-28-30(2)15-19/h3-5,12-15,20H,6-11,16H2,1-2H3
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n/an/a 1.16n/an/an/an/an/an/a


TBA

Assay Description
His/Flag epitope tagged CBP was cloned, expressed, and purified to homogeneity. CBP binding and inhibition was assessed by monitoring the engagement ...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2X63R43
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
CREB-binding protein


(Homo sapiens (Human))
BDBM537088
PNG
(US11247989, Example 91)
Show SMILES CNC(=O)N1CCc2c(C1)c(nn2C1CCOCC1)-c1c(F)ccc2cc(ncc12)-c1cnn(C)c1 |(-9.15,-1.5,;-7.82,-.73,;-6.49,-1.5,;-6.49,-3.04,;-5.15,-.73,;-5.15,.81,;-3.82,1.58,;-2.49,.81,;-2.49,-.73,;-3.82,-1.5,;-1.02,-1.2,;-.12,.04,;-1.02,1.29,;-.62,2.78,;.87,3.17,;1.26,4.66,;.18,5.75,;-1.31,5.35,;-1.71,3.86,;-.62,-2.69,;-1.71,-3.78,;-3.2,-3.38,;-1.31,-5.27,;.18,-5.67,;1.26,-4.58,;2.75,-4.98,;3.84,-3.89,;3.44,-2.4,;1.95,-2,;.87,-3.09,;5.33,-4.29,;5.8,-5.75,;7.34,-5.75,;7.82,-4.29,;9.15,-3.52,;6.57,-3.38,)|
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n/an/a 1.17n/an/an/an/an/an/a


TBA

Assay Description
His/Flag epitope tagged CBP was cloned, expressed, and purified to homogeneity. CBP binding and inhibition was assessed by monitoring the engagement ...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2X63R43
More data for this
Ligand-Target Pair
CREB-binding protein


(Homo sapiens (Human))
BDBM50269855
PNG
(CHEMBL4061161)
Show SMILES CC(=O)N1CCc2c(C1)c(nn2C1CCS(=O)(=O)CC1)N1CCCc2cc(-c3cnn(C)c3)c(cc12)C(F)F
Show InChI InChI=1S/C27H32F2N6O3S/c1-17(36)33-9-5-24-23(16-33)27(31-35(24)20-6-10-39(37,38)11-7-20)34-8-3-4-18-12-21(19-14-30-32(2)15-19)22(26(28)29)13-25(18)34/h12-15,20,26H,3-11,16H2,1-2H3
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n/an/a 1.20n/an/an/an/an/an/a



Genentech, Inc. , 1 DNA Way, South San Francisco, California 94080, United States.

Curated by ChEMBL


Assay Description
Displacement of biotinylated histone H3K14 peptide ligand from human recombinant His-tagged CBP measured after 10 mins by TR-FRET assay


J Med Chem 60: 9162-9183 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00796
BindingDB Entry DOI: 10.7270/Q23F4S4V
More data for this
Ligand-Target Pair
CREB-binding protein


(Homo sapiens (Human))
BDBM50269856
PNG
(CHEMBL4060566)
Show SMILES CC(=O)N1CCc2c(C1)c(nn2C1CCN(CC1)S(C)(=O)=O)N1CCCc2cc(-c3cnn(C)c3)c(cc12)C(F)F
Show InChI InChI=1S/C28H35F2N7O3S/c1-18(38)34-10-8-25-24(17-34)28(32-37(25)21-6-11-35(12-7-21)41(3,39)40)36-9-4-5-19-13-22(20-15-31-33(2)16-20)23(27(29)30)14-26(19)36/h13-16,21,27H,4-12,17H2,1-3H3
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Genentech, Inc. , 1 DNA Way, South San Francisco, California 94080, United States.

Curated by ChEMBL


Assay Description
Displacement of biotinylated histone H3K14 peptide ligand from human recombinant His-tagged CBP measured after 10 mins by TR-FRET assay


J Med Chem 60: 9162-9183 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00796
BindingDB Entry DOI: 10.7270/Q23F4S4V
More data for this
Ligand-Target Pair
CREB-binding protein


(Homo sapiens (Human))
BDBM50453950
PNG
(CHEMBL4203082 | US11247989, Example 88)
Show SMILES CC(=O)N1CCc2c(C1)c(nn2C1CCOCC1)-c1cccc2cc(ncc12)-c1cnn(C)c1
Show InChI InChI=1S/C26H28N6O2/c1-17(33)31-9-6-25-23(16-31)26(29-32(25)20-7-10-34-11-8-20)21-5-3-4-18-12-24(27-14-22(18)21)19-13-28-30(2)15-19/h3-5,12-15,20H,6-11,16H2,1-2H3
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n/an/a 1.20n/an/an/an/an/an/a



WuXi AppTec Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of recombinant His-tagged CBP (unknown origin) by TR-FRET assay


Bioorg Med Chem Lett 28: 15-23 (2018)


Article DOI: 10.1016/j.bmcl.2017.11.025
BindingDB Entry DOI: 10.7270/Q2ZG6VVZ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
CREB-binding protein


(Homo sapiens (Human))
BDBM50453949
PNG
(CHEMBL4208820 | US11247989, Example 87)
Show SMILES CNC(=O)c1ccc(cn1)-c1cc2cccc(-c3nn(C4CCOCC4)c4CCN(Cc34)C(C)=O)c2cn1
Show InChI InChI=1S/C29H30N6O3/c1-18(36)34-11-8-27-24(17-34)28(33-35(27)21-9-12-38-13-10-21)22-5-3-4-19-14-26(32-16-23(19)22)20-6-7-25(31-15-20)29(37)30-2/h3-7,14-16,21H,8-13,17H2,1-2H3,(H,30,37)
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WuXi AppTec Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of recombinant His-tagged CBP (unknown origin) by TR-FRET assay


Bioorg Med Chem Lett 28: 15-23 (2018)


Article DOI: 10.1016/j.bmcl.2017.11.025
BindingDB Entry DOI: 10.7270/Q2ZG6VVZ
More data for this
Ligand-Target Pair
CREB-binding protein


(Homo sapiens (Human))
BDBM536862
PNG
((S)-1-(3-(6-(1-methyl-1H-pyrazol-4-yl)naphthalen-1...)
Show SMILES CC(=O)N1CCc2c(C1)c(nn2[C@H]1CCOC1)-c1cccc2cc(ccc12)-c1cnn(C)c1 |r|
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n/an/a 1.39n/an/an/an/an/an/a


TBA

Assay Description
His/Flag epitope tagged CBP was cloned, expressed, and purified to homogeneity. CBP binding and inhibition was assessed by monitoring the engagement ...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2X63R43
More data for this
Ligand-Target Pair
CREB-binding protein


(Homo sapiens (Human))
BDBM50269850
PNG
(CHEMBL4061600)
Show SMILES CC(=O)N1CCc2c(C1)c(nn2[C@H]1CCOC1)N1CCCc2cc(-c3cnn(C)c3)c(cc12)C(F)F |r|
Show InChI InChI=1S/C26H30F2N6O2/c1-16(35)32-8-5-23-22(14-32)26(30-34(23)19-6-9-36-15-19)33-7-3-4-17-10-20(18-12-29-31(2)13-18)21(25(27)28)11-24(17)33/h10-13,19,25H,3-9,14-15H2,1-2H3/t19-/m0/s1
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n/an/a 1.40n/an/an/an/an/an/a



Genentech, Inc. , 1 DNA Way, South San Francisco, California 94080, United States.

Curated by ChEMBL


Assay Description
Displacement of biotinylated histone H3K14 peptide ligand from human recombinant His-tagged CBP measured after 10 mins by TR-FRET assay


J Med Chem 60: 9162-9183 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00796
BindingDB Entry DOI: 10.7270/Q23F4S4V
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
CREB-binding protein


(Homo sapiens (Human))
BDBM536875
PNG
(2-cyano-N-methyl-3-(3-(1-methyl-1H-pyrazol-4-yl)is...)
Show SMILES CNC(=O)N1CCc2c(C1)c(c(C#N)n2C1CCOCC1)-c1cccc2cc(ncc12)-c1cnn(C)c1 |(-9.26,-1.54,;-7.93,-.77,;-6.59,-1.54,;-6.59,-3.08,;-5.26,-.77,;-5.26,.77,;-3.92,1.54,;-2.59,.77,;-2.59,-.77,;-3.92,-1.54,;-1.13,-1.25,;-.22,,;1.32,,;2.86,,;-1.13,1.25,;-.65,2.71,;.86,3.03,;1.33,4.5,;.3,5.64,;-1.21,5.32,;-1.68,3.86,;-.65,-2.71,;-1.68,-3.86,;-1.21,-5.32,;.3,-5.64,;1.33,-4.5,;2.84,-4.82,;3.87,-3.67,;3.39,-2.21,;1.89,-1.89,;.86,-3.03,;5.37,-3.99,;6,-5.4,;7.53,-5.24,;7.85,-3.73,;9.26,-3.1,;6.52,-2.96,)|
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TBA

Assay Description
His/Flag epitope tagged CBP was cloned, expressed, and purified to homogeneity. CBP binding and inhibition was assessed by monitoring the engagement ...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2X63R43
More data for this
Ligand-Target Pair
CREB-binding protein


(Homo sapiens (Human))
BDBM536860
PNG
(N-methyl-3-(4-methyl-3-(1-methyl-1H-pyrazol-4-yl)i...)
Show SMILES CNC(=O)N1CCc2c(C1)c(nn2C1CCOCC1)-c1cccc2c(C)c(ncc12)-c1cnn(C)c1
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n/an/a 1.45n/an/an/an/an/an/a


TBA

Assay Description
His/Flag epitope tagged CBP was cloned, expressed, and purified to homogeneity. CBP binding and inhibition was assessed by monitoring the engagement ...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2X63R43
More data for this
Ligand-Target Pair
CREB-binding protein


(Homo sapiens (Human))
BDBM50269907
PNG
(CHEMBL4080905)
Show SMILES CC(=O)N1CCc2c(C1)c(nn2C1CCNCC1)N1CCCc2cc(-c3cnn(C)c3)c(cc12)C(F)F
Show InChI InChI=1S/C27H33F2N7O/c1-17(37)34-11-7-24-23(16-34)27(32-36(24)20-5-8-30-9-6-20)35-10-3-4-18-12-21(19-14-31-33(2)15-19)22(26(28)29)13-25(18)35/h12-15,20,26,30H,3-11,16H2,1-2H3
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n/an/a 1.5n/an/an/an/an/an/a



Genentech, Inc. , 1 DNA Way, South San Francisco, California 94080, United States.

Curated by ChEMBL


Assay Description
Displacement of biotinylated histone H3K14 peptide ligand from human recombinant His-tagged CBP measured after 10 mins by TR-FRET assay


J Med Chem 60: 9162-9183 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00796
BindingDB Entry DOI: 10.7270/Q23F4S4V
More data for this
Ligand-Target Pair
CREB-binding protein


(Homo sapiens (Human))
BDBM50602881
PNG
(CHEMBL5204688)
Show SMILES CC(O)c1cc(NC(=O)c2cc(C(C)=O)n3ccc(N)cc23)c(F)c(c1)-c1cnn(c1)C1CC1
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TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01864
BindingDB Entry DOI: 10.7270/Q2VT1X5F
More data for this
Ligand-Target Pair
CREB-binding protein


(Homo sapiens (Human))
BDBM50269914
PNG
(CHEMBL4083416)
Show SMILES CC(=O)N1CCc2c(C1)c(nn2[C@H]1CCOC1)N1CCCc2cc(-c3cnn(C)c3)c(cc12)C(F)(F)F |r|
Show InChI InChI=1S/C26H29F3N6O2/c1-16(36)33-8-5-23-21(14-33)25(31-35(23)19-6-9-37-15-19)34-7-3-4-17-10-20(18-12-30-32(2)13-18)22(11-24(17)34)26(27,28)29/h10-13,19H,3-9,14-15H2,1-2H3/t19-/m0/s1
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Genentech, Inc. , 1 DNA Way, South San Francisco, California 94080, United States.

Curated by ChEMBL


Assay Description
Displacement of biotinylated histone H3K14 peptide ligand from human recombinant His-tagged CBP measured after 10 mins by TR-FRET assay


J Med Chem 60: 9162-9183 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00796
BindingDB Entry DOI: 10.7270/Q23F4S4V
More data for this
Ligand-Target Pair
CREB-binding protein


(Homo sapiens (Human))
BDBM536871
PNG
(N-methyl-3-(3-(2-methylthiazol-5-yl)isoquinolin-8-...)
Show SMILES CNC(=O)N1CCc2c(C1)c(nn2C1CCS(=O)CC1)-c1cccc2cc(ncc12)-c1cnc(C)s1
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n/an/a 1.54n/an/an/an/an/an/a


TBA

Assay Description
His/Flag epitope tagged CBP was cloned, expressed, and purified to homogeneity. CBP binding and inhibition was assessed by monitoring the engagement ...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2X63R43
More data for this
Ligand-Target Pair
CREB-binding protein


(Homo sapiens (Human))
BDBM536857
PNG
(1-(3-(6-ethyl-3-(1-methyl-1H-pyrazol-4-yl)isoquino...)
Show SMILES CCc1cc(-c2nn(C3CCOCC3)c3CCN(Cc23)C(C)=O)c2cnc(cc2c1)-c1cnn(C)c1
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n/an/a 1.71n/an/an/an/an/an/a


TBA

Assay Description
His/Flag epitope tagged CBP was cloned, expressed, and purified to homogeneity. CBP binding and inhibition was assessed by monitoring the engagement ...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2X63R43
More data for this
Ligand-Target Pair
CREB-binding protein


(Homo sapiens (Human))
BDBM537149
PNG
(US11247989, Example 129)
Show SMILES CC(=O)N1CCc2c(C1)c(nn2C1CCOCC1)-c1cccc2cc(ncc12)N1CCCC1
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n/an/a 1.85n/an/an/an/an/an/a


TBA

Assay Description
His/Flag epitope tagged CBP was cloned, expressed, and purified to homogeneity. CBP binding and inhibition was assessed by monitoring the engagement ...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2X63R43
More data for this
Ligand-Target Pair
CREB-binding protein


(Homo sapiens (Human))
BDBM50602873
PNG
(CHEMBL5191045)
Show SMILES CC(=O)c1cc(C(=O)Nc2cc(CO)cc(-c3cnn(C)c3)c2F)c2cc(N)ccn12
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TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01864
BindingDB Entry DOI: 10.7270/Q2VT1X5F
More data for this
Ligand-Target Pair
CREB-binding protein


(Homo sapiens (Human))
BDBM536873
PNG
(3-isopropyl-N-methyl-1-(3-(1-methyl-1H-pyrazol-4-y...)
Show SMILES CNC(=O)N1CCc2c(C1)n(nc2C(C)C)-c1cccc2cc(ncc12)-c1cnn(C)c1
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n/an/a 1.91n/an/an/an/an/an/a


TBA

Assay Description
His/Flag epitope tagged CBP was cloned, expressed, and purified to homogeneity. CBP binding and inhibition was assessed by monitoring the engagement ...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2X63R43
More data for this
Ligand-Target Pair
CREB-binding protein


(Homo sapiens (Human))
BDBM537086
PNG
(US11247989, Example 89)
Show SMILES CC(=O)N1CCc2c(C1)c(nn2[C@H]1CCOC1)-c1cccc2cc(ncc12)-c1cnn(C)c1 |r|
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n/an/a 1.92n/an/an/an/an/an/a


TBA

Assay Description
His/Flag epitope tagged CBP was cloned, expressed, and purified to homogeneity. CBP binding and inhibition was assessed by monitoring the engagement ...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2X63R43
More data for this
Ligand-Target Pair
CREB-binding protein


(Homo sapiens (Human))
BDBM50269906
PNG
(CHEMBL4098938)
Show SMILES CN1CCC(CC1)n1nc(N2CCCc3cc(-c4cnn(C)c4)c(cc23)C(F)F)c2CN(CCc12)C(C)=O
Show InChI InChI=1S/C28H35F2N7O/c1-18(38)35-12-8-25-24(17-35)28(32-37(25)21-6-10-33(2)11-7-21)36-9-4-5-19-13-22(20-15-31-34(3)16-20)23(27(29)30)14-26(19)36/h13-16,21,27H,4-12,17H2,1-3H3
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Genentech, Inc. , 1 DNA Way, South San Francisco, California 94080, United States.

Curated by ChEMBL


Assay Description
Displacement of biotinylated histone H3K14 peptide ligand from human recombinant His-tagged CBP measured after 10 mins by TR-FRET assay


J Med Chem 60: 9162-9183 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00796
BindingDB Entry DOI: 10.7270/Q23F4S4V
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
Show InChI InChI=1S/C23H26F3N7O2/c1-31-11-13(10-28-31)15-8-18(24)19(9-16(15)21(25)26)29-22-17-12-32(23(27)34)5-2-20(17)33(30-22)14-3-6-35-7-4-14/h8-11,14,21H,2-7,12H2,1H3,(H2,27,34)(H,29,30)
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GENENTECH, INC.; CONSTELLATION PHARMACEUTICALS, INC.

US Patent


Assay Description
His/Flag epitope tagged CBP was cloned, expressed, and purified to homogeneity. CBP binding and inhibition was assessed by monitoring the engagement ...


US Patent US9763922 (2017)


BindingDB Entry DOI: 10.7270/Q23N25G6
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
Show InChI InChI=1S/C24H27F3N6O2/c1-14(34)32-6-3-22-19(13-32)24(30-33(22)16-4-7-35-8-5-16)29-21-10-18(23(26)27)17(9-20(21)25)15-11-28-31(2)12-15/h9-12,16,23H,3-8,13H2,1-2H3,(H,29,30)
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GENENTECH, INC.; CONSTELLATION PHARMACEUTICALS, INC.

US Patent


Assay Description
His/Flag epitope tagged CBP was cloned, expressed, and purified to homogeneity. CBP binding and inhibition was assessed by monitoring the engagement ...


US Patent US9763922 (2017)


BindingDB Entry DOI: 10.7270/Q23N25G6
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
Show InChI InChI=1S/C24H28F3N7O3S/c1-28-24(35)33-6-3-21-18(13-33)23(31-34(21)15-4-7-38(36,37)8-5-15)30-20-10-17(22(26)27)16(9-19(20)25)14-11-29-32(2)12-14/h9-12,15,22H,3-8,13H2,1-2H3,(H,28,35)(H,30,31)
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GENENTECH, INC.; CONSTELLATION PHARMACEUTICALS, INC.

US Patent


Assay Description
His/Flag epitope tagged CBP was cloned, expressed, and purified to homogeneity. CBP binding and inhibition was assessed by monitoring the engagement ...


US Patent US9763922 (2017)


BindingDB Entry DOI: 10.7270/Q23N25G6
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
Show InChI InChI=1S/C27H30F3N7O3/c1-31-26(38)21-4-3-15(13-33-21)17-11-20(28)22(12-18(17)24(29)30)34-25-19-14-36(27(39)32-2)8-5-23(19)37(35-25)16-6-9-40-10-7-16/h3-4,11-13,16,24H,5-10,14H2,1-2H3,(H,31,38)(H,32,39)(H,34,35)
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GENENTECH, INC.; CONSTELLATION PHARMACEUTICALS, INC.

US Patent


Assay Description
His/Flag epitope tagged CBP was cloned, expressed, and purified to homogeneity. CBP binding and inhibition was assessed by monitoring the engagement ...


US Patent US9763922 (2017)


BindingDB Entry DOI: 10.7270/Q23N25G6
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
Show InChI InChI=1S/C26H29F3N6O3/c1-30-26(36)34-8-4-22-19(14-34)25(33-35(22)16-5-9-38-10-6-16)32-21-13-18(24(28)29)17(12-20(21)27)15-3-7-31-23(11-15)37-2/h3,7,11-13,16,24H,4-6,8-10,14H2,1-2H3,(H,30,36)(H,32,33)
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GENENTECH, INC.; CONSTELLATION PHARMACEUTICALS, INC.

US Patent


Assay Description
His/Flag epitope tagged CBP was cloned, expressed, and purified to homogeneity. CBP binding and inhibition was assessed by monitoring the engagement ...


US Patent US9763922 (2017)


BindingDB Entry DOI: 10.7270/Q23N25G6
More data for this
Ligand-Target Pair
CREB-binding protein


(Homo sapiens (Human))
BDBM448659
PNG
(3-(7-(difluoromethyl)-6-(1-methyl-1H-pyrazol-4-yl)...)
Show SMILES CNC(=O)c1ccc2n(nc(N3CCCc4cc(-c5cnn(C)c5)c(cc34)C(F)F)c2n1)C1CCOCC1
Show InChI InChI=1S/C27H29F2N7O2/c1-30-27(37)21-5-6-22-24(32-21)26(33-36(22)18-7-10-38-11-8-18)35-9-3-4-16-12-19(17-14-31-34(2)15-17)20(25(28)29)13-23(16)35/h5-6,12-15,18,25H,3-4,7-11H2,1-2H3,(H,30,37)
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TBA

Assay Description
His/Flag epitope tagged CBP was cloned, expressed, and purified to homogeneity. CBP binding and inhibition was assessed by monitoring the engagement ...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2BC42Q8
More data for this
Ligand-Target Pair
CREB-binding protein


(Homo sapiens (Human))
BDBM448659
PNG
(3-(7-(difluoromethyl)-6-(1-methyl-1H-pyrazol-4-yl)...)
Show SMILES CNC(=O)c1ccc2n(nc(N3CCCc4cc(-c5cnn(C)c5)c(cc34)C(F)F)c2n1)C1CCOCC1
Show InChI InChI=1S/C27H29F2N7O2/c1-30-27(37)21-5-6-22-24(32-21)26(33-36(22)18-7-10-38-11-8-18)35-9-3-4-16-12-19(17-14-31-34(2)15-17)20(25(28)29)13-23(16)35/h5-6,12-15,18,25H,3-4,7-11H2,1-2H3,(H,30,37)
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GENENTECH, INC.; CONSTELLATION PHARMACEUTICALS, INC.

US Patent


Assay Description
His/Flag epitope tagged CBP was cloned, expressed, and purified to homogeneity. CBP binding and inhibition was assessed by monitoring the engagement ...


US Patent US10696655 (2020)


BindingDB Entry DOI: 10.7270/Q2BV7KP0
More data for this
Ligand-Target Pair
CREB-binding protein


(Homo sapiens (Human))
BDBM448593
PNG
(5-(7-(difluoromethyl)-6-(1-methyl-1H-pyrazol-4-yl)...)
Show SMILES CNC(=O)c1c[nH]c2c(C)nc(cc12)N1CCCc2cc(-c3cnn(C)c3)c(cc12)C(F)F
Show InChI InChI=1S/C24H24F2N6O/c1-13-22-17(19(11-28-22)24(33)27-2)9-21(30-13)32-6-4-5-14-7-16(15-10-29-31(3)12-15)18(23(25)26)8-20(14)32/h7-12,23,28H,4-6H2,1-3H3,(H,27,33)
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GENENTECH, INC.; CONSTELLATION PHARMACEUTICALS, INC.

US Patent


Assay Description
His/Flag epitope tagged CBP was cloned, expressed, and purified to homogeneity. CBP binding and inhibition was assessed by monitoring the engagement ...


US Patent US10696655 (2020)


BindingDB Entry DOI: 10.7270/Q2BV7KP0
More data for this
Ligand-Target Pair
CREB-binding protein


(Homo sapiens (Human))
BDBM50250892
PNG
(CHEMBL4061254 | US10696655, Example 63 | US1116807...)
Show SMILES CNC(=O)c1c[nH]c2c(nc(cc12)N1CCCc2cc(-c3cnn(C)c3)c(cc12)C(F)F)C(C)C
Show InChI InChI=1S/C26H28F2N6O/c1-14(2)23-24-18(20(12-30-24)26(35)29-3)10-22(32-23)34-7-5-6-15-8-17(16-11-31-33(4)13-16)19(25(27)28)9-21(15)34/h8-14,25,30H,5-7H2,1-4H3,(H,29,35)
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GENENTECH, INC.; CONSTELLATION PHARMACEUTICALS, INC.

US Patent


Assay Description
His/Flag epitope tagged CBP was cloned, expressed, and purified to homogeneity. CBP binding and inhibition was assessed by monitoring the engagement ...


US Patent US10696655 (2020)


BindingDB Entry DOI: 10.7270/Q2BV7KP0
More data for this
Ligand-Target Pair
CREB-binding protein


(Homo sapiens (Human))
BDBM448593
PNG
(5-(7-(difluoromethyl)-6-(1-methyl-1H-pyrazol-4-yl)...)
Show SMILES CNC(=O)c1c[nH]c2c(C)nc(cc12)N1CCCc2cc(-c3cnn(C)c3)c(cc12)C(F)F
Show InChI InChI=1S/C24H24F2N6O/c1-13-22-17(19(11-28-22)24(33)27-2)9-21(30-13)32-6-4-5-14-7-16(15-10-29-31(3)12-15)18(23(25)26)8-20(14)32/h7-12,23,28H,4-6H2,1-3H3,(H,27,33)
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TBA

Assay Description
His/Flag epitope tagged CBP was cloned, expressed, and purified to homogeneity. CBP binding and inhibition was assessed by monitoring the engagement ...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2BC42Q8
More data for this
Ligand-Target Pair
CREB-binding protein


(Homo sapiens (Human))
BDBM50250892
PNG
(CHEMBL4061254 | US10696655, Example 63 | US1116807...)
Show SMILES CNC(=O)c1c[nH]c2c(nc(cc12)N1CCCc2cc(-c3cnn(C)c3)c(cc12)C(F)F)C(C)C
Show InChI InChI=1S/C26H28F2N6O/c1-14(2)23-24-18(20(12-30-24)26(35)29-3)10-22(32-23)34-7-5-6-15-8-17(16-11-31-33(4)13-16)19(25(27)28)9-21(15)34/h8-14,25,30H,5-7H2,1-4H3,(H,29,35)
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TBA

Assay Description
His/Flag epitope tagged CBP was cloned, expressed, and purified to homogeneity. CBP binding and inhibition was assessed by monitoring the engagement ...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2BC42Q8
More data for this
Ligand-Target Pair
CREB-binding protein


(Homo sapiens (Human))
BDBM536813
PNG
(5-(8-(5-acetyl-1-(tetrahydro-2H-pyran-4-yl)-4,5,6,...)
Show SMILES CNC(=O)c1ccc(cn1)-c1ncc2c(cccc2c1F)-c1nn(C2CCOCC2)c2CCN(Cc12)C(C)=O
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TBA

Assay Description
His/Flag epitope tagged CBP was cloned, expressed, and purified to homogeneity. CBP binding and inhibition was assessed by monitoring the engagement ...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2X63R43
More data for this
Ligand-Target Pair
CREB-binding protein


(Homo sapiens (Human))
BDBM50602864
PNG
(CCS-1477 | CCS1477 | Ccs 1477 | Ccs1477 | INOBRODI...)
Show SMILES CO[C@H]1CC[C@@H](CC1)n1c(nc2cc(ccc12)-c1c(C)noc1C)[C@@H]1CCCC(=O)N1c1ccc(F)c(F)c1 |r,wU:24.27,5.8,wD:2.1,(-5.83,-7.85,;-6.97,-6.82,;-6.65,-5.31,;-5.19,-4.84,;-4.87,-3.33,;-6.01,-2.3,;-7.48,-2.77,;-7.8,-4.28,;-5.69,-.79,;-4.29,-.17,;-4.45,1.37,;-5.95,1.69,;-6.72,3.02,;-8.26,3.02,;-9.03,1.69,;-8.26,.35,;-6.72,.35,;-9.03,4.35,;-8.41,5.76,;-6.9,6.08,;-9.55,6.79,;-10.89,6.02,;-10.57,4.51,;-11.6,3.37,;-2.95,-.94,;-2.95,-2.48,;-1.62,-3.25,;-.29,-2.48,;-.29,-.94,;1.05,-.17,;-1.62,-.17,;-1.62,1.37,;-.29,2.14,;-.29,3.68,;-1.62,4.45,;-1.62,5.99,;-2.95,3.68,;-4.29,4.45,;-2.95,2.14,)|
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TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01864
BindingDB Entry DOI: 10.7270/Q2VT1X5F
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
CREB-binding protein


(Homo sapiens (Human))
BDBM50602874
PNG
(CHEMBL5179328)
Show SMILES CNc1ccn2c(cc(C(=O)Nc3cc(CO)cc(-c4cnn(C)c4)c3F)c2c1)C(C)=O
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TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01864
BindingDB Entry DOI: 10.7270/Q2VT1X5F
More data for this
Ligand-Target Pair
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