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Compile Data Set for Download or QSAR

Found 4587 hits Enz. Inhib. hit(s) with Target = 'CREB-binding protein (CBP)'   
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))
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/an/a 0.230n/an/an/an/an/a



WuXi AppTec Co., Ltd.

Curated by ChEMBL


Assay Description
Binding affinity to human partial length CREBBP (R1081 to G1197 residues) expressed in bacterial expression system by BROMOscan 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))
BDBM50151661
PNG
(CHEMBL3752296)
Show SMILES COc1ccc2CCCN(CCCNC(=O)c3cccc4NC(=O)[C@@H](C)Nc34)c2c1 |r|
Show InChI InChI=1S/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-/m1/s1
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n/an/an/a 0.390n/an/an/an/an/a


TBA

Assay Description
Binding affinity to CREBBP (unknown origin) assessed as dissociation constant by ITC assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00348
BindingDB Entry DOI: 10.7270/Q2RF5ZW2
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
CREB-binding protein


(Homo sapiens (Human))
BDBM50539801
PNG
(CHEMBL4648912 | US11840533, Compound 70)
Show SMILES CCS(=O)(=O)Nc1cc(cc2n(ccc12)C(C)(c1ccccn1)c1ccccn1)-c1cn(C)c2c1cc[nH]c2=O
Show InChI InChI=1S/C30H28N6O3S/c1-4-40(38,39)34-24-17-20(23-19-35(3)28-21(23)11-15-33-29(28)37)18-25-22(24)12-16-36(25)30(2,26-9-5-7-13-31-26)27-10-6-8-14-32-27/h5-19,34H,4H2,1-3H3,(H,33,37)
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n/an/an/a<1n/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Binding affinity to human partial length CREBBP (R1081 to G1197 residues) expressed in bacterial expression system by BROMOscan assay


J Med Chem 63: 7186-7210 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00456
BindingDB Entry DOI: 10.7270/Q2PK0KPP
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
CREB-binding protein


(Homo sapiens (Human))
BDBM50459795
PNG
(CHEMBL4210443)
Show SMILES CCOc1ccc(cc1NC(=O)c1cc(cc(c1)-c1nn[nH]n1)-c1cscn1)C(C)=O
Show InChI InChI=1S/C21H18N6O3S/c1-3-30-19-5-4-13(12(2)28)9-17(19)23-21(29)16-7-14(18-10-31-11-22-18)6-15(8-16)20-24-26-27-25-20/h4-11H,3H2,1-2H3,(H,23,29)(H,24,25,26,27)
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n/an/an/a 3n/an/an/an/an/a



University of Zurich

Curated by ChEMBL


Assay Description
Displacement of biotinylated acetylated peptide from recombinant human partial length CBP bromodomain (R1081 to G1197 residues) expressed in bacteria...


ACS Med Chem Lett 9: 929-934 (2018)


Article DOI: 10.1021/acsmedchemlett.8b00286
BindingDB Entry DOI: 10.7270/Q2WS8WVM
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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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n/an/an/a 14n/an/an/an/an/a


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))
BDBM188519
PNG
(SGC-CBP30)
Show SMILES COc1ccc(CCc2nc3cc(ccc3n2C[C@H](C)N2CCOCC2)-c2c(C)noc2C)cc1Cl |r|
Show InChI InChI=1S/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-/m0/s1
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n/an/an/a 21n/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Binding affinity to human CBP by isothermal titration calorimetric analysis


J Med Chem 59: 1271-98 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01514
BindingDB Entry DOI: 10.7270/Q2X92D6H
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
CREB-binding protein


(Homo sapiens (Human))
BDBM50151662
PNG
(CHEMBL3775371)
Show SMILES C[C@@H](Cn1c(CCc2ccccc2)nc2cc(ccc12)-c1c(C)noc1C)N1CCOCC1 |r|
Show InChI InChI=1S/C27H32N4O2/c1-19(30-13-15-32-16-14-30)18-31-25-11-10-23(27-20(2)29-33-21(27)3)17-24(25)28-26(31)12-9-22-7-5-4-6-8-22/h4-8,10-11,17,19H,9,12-16,18H2,1-3H3/t19-/m0/s1
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n/an/an/a 21n/an/an/an/an/a



University of Freiburg

Curated by ChEMBL


Assay Description
Inhibition of human CREBBP expressed in competent escherichia coli BL21(DE3)-R3-pRARE2 cells by isothermal titration calorimetry


J Med Chem 59: 1249-70 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01502
BindingDB Entry DOI: 10.7270/Q2DV1MRN
More data for this
Ligand-Target Pair
CREB-binding protein


(Homo sapiens (Human))
BDBM188519
PNG
(SGC-CBP30)
Show SMILES COc1ccc(CCc2nc3cc(ccc3n2C[C@H](C)N2CCOCC2)-c2c(C)noc2C)cc1Cl |r|
Show InChI InChI=1S/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-/m0/s1
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n/an/an/a 21n/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Binding affinity to human CBP by ITC analysis


J Med Chem 58: 7611-33 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00229
BindingDB Entry DOI: 10.7270/Q2QZ2CSD
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
CREB-binding protein


(Homo sapiens (Human))
BDBM188519
PNG
(SGC-CBP30)
Show SMILES COc1ccc(CCc2nc3cc(ccc3n2C[C@H](C)N2CCOCC2)-c2c(C)noc2C)cc1Cl |r|
Show InChI InChI=1S/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-/m0/s1
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n/an/an/a 21n/an/an/an/an/a


TBA

Assay Description
Binding affinity to human CBP by isothermal titration calorimetry


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112861
BindingDB Entry DOI: 10.7270/Q2CC14D7
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
CREB-binding protein


(Homo sapiens (Human))
BDBM188519
PNG
(SGC-CBP30)
Show SMILES COc1ccc(CCc2nc3cc(ccc3n2C[C@H](C)N2CCOCC2)-c2c(C)noc2C)cc1Cl |r|
Show InChI InChI=1S/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-/m0/s1
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n/an/an/a 21n/an/an/an/an/a


TBA

Assay Description
Binding affinity to human CBP measured at 15 degreeC by ITC assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02232
BindingDB Entry DOI: 10.7270/Q2NS0ZQF
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
CREB-binding protein


(Homo sapiens (Human))
BDBM188519
PNG
(SGC-CBP30)
Show SMILES COc1ccc(CCc2nc3cc(ccc3n2C[C@H](C)N2CCOCC2)-c2c(C)noc2C)cc1Cl |r|
Show InChI InChI=1S/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-/m0/s1
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n/an/an/a 21n/an/an/an/an/a



Pfizer



Assay Description
Experiments were performed using recombinant CBP and BRD4 bromodomainsusing the procedure reported recently (Hett et al., 2015).


Chem Biol 22: 1588-96 (2015)


Article DOI: 10.1016/j.chembiol.2015.10.013
BindingDB Entry DOI: 10.7270/Q2V69HC0
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
CREB-binding protein


(Homo sapiens (Human))
BDBM50562129
PNG
(CHEMBL4754613)
Show SMILES COc1ccc(CCc2nc3cc(ccc3n2CCN2CCOCC2)-c2c(C)noc2C)cc1Cl
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n/an/an/a 28n/an/an/an/an/a


TBA

Assay Description
Binding affinity to human CBP by isothermal titration calorimetry


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112861
BindingDB Entry DOI: 10.7270/Q2CC14D7
More data for this
Ligand-Target Pair
CREB-binding protein


(Homo sapiens (Human))
BDBM50602865
PNG
(CHEMBL5205974)
Show SMILES COc1ccn2c(cc(C(=O)Nc3cc(cc(-c4cnn(C)c4)c3F)C(O)=O)c2c1)C(C)=O
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n/an/an/a 30n/an/an/an/an/a


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))
BDBM50178219
PNG
(CHEMBL3814752)
Show SMILES C[C@@H]1CC(=O)Nc2cccc(-c3ccc4n(C)nc(-c5cnn(C)c5)c4c3)c2N1 |r|
Show InChI InChI=1S/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-/m1/s1
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n/an/an/a 30n/an/an/an/an/a



Constellation Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity to human CBP at 17 uM by isothermal titration calorimetry


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


Article DOI: 10.1021/acsmedchemlett.6b00075
BindingDB Entry DOI: 10.7270/Q20G3N3S
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
CREB-binding protein


(Homo sapiens (Human))
BDBM50459793
PNG
(CHEMBL4205572)
Show SMILES CCOc1ccc(cc1NC(=O)c1cc(NC(C)=O)cc(NC(=O)c2ccco2)c1)C(C)=O
Show InChI InChI=1S/C24H23N3O6/c1-4-32-21-8-7-16(14(2)28)12-20(21)27-23(30)17-10-18(25-15(3)29)13-19(11-17)26-24(31)22-6-5-9-33-22/h5-13H,4H2,1-3H3,(H,25,29)(H,26,31)(H,27,30)
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n/an/an/a 35n/an/an/an/an/a



Frontier Medicines

Curated by ChEMBL


Assay Description
Binding affinity to Poly-Histidine-tagged CBP (unknown origin) expressed in Escherichia coli BL21(DE3) by competition binding assay


J Med Chem 63: 4430-4444 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01581
BindingDB Entry DOI: 10.7270/Q2ZG6WM7
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
CREB-binding protein


(Homo sapiens (Human))
BDBM50459793
PNG
(CHEMBL4205572)
Show SMILES CCOc1ccc(cc1NC(=O)c1cc(NC(C)=O)cc(NC(=O)c2ccco2)c1)C(C)=O
Show InChI InChI=1S/C24H23N3O6/c1-4-32-21-8-7-16(14(2)28)12-20(21)27-23(30)17-10-18(25-15(3)29)13-19(11-17)26-24(31)22-6-5-9-33-22/h5-13H,4H2,1-3H3,(H,25,29)(H,26,31)(H,27,30)
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n/an/an/a 35n/an/an/an/an/a



University of Zurich

Curated by ChEMBL


Assay Description
Displacement of biotinylated acetylated peptide from poly His-tagged CBP bromodomain (unknown origin) expressed in Escherichia coli BL21(DE3) measure...


ACS Med Chem Lett 9: 929-934 (2018)


Article DOI: 10.1021/acsmedchemlett.8b00286
BindingDB Entry DOI: 10.7270/Q2WS8WVM
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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))
BDBM50602870
PNG
(CHEMBL5192405)
Show SMILES CC(=O)c1cc(C(=O)Nc2cc(CO)cc(-c3cnn(C)c3)c2F)c2cc(O)ccn12
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n/an/an/a 44n/an/an/an/an/a


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))
BDBM50366670
PNG
(CHEMBL4173488)
Show SMILES COc1cc2c(cc1-c1c(C)noc1C)[nH]c1nc(C)nc(Nc3cc(nn3C)C3CC3)c21 |(86.87,-46.33,;85.61,-45.43,;84.21,-46.07,;84.06,-47.6,;82.66,-48.24,;81.41,-47.34,;81.56,-45.82,;82.95,-45.18,;83.09,-43.65,;81.94,-42.63,;80.43,-42.97,;82.55,-41.22,;84.08,-41.36,;84.42,-42.87,;85.83,-43.48,;80.17,-48.26,;80.66,-49.73,;79.89,-51.06,;80.66,-52.39,;79.89,-53.73,;82.21,-52.4,;82.97,-51.06,;84.51,-51.06,;85.28,-52.39,;84.66,-53.8,;85.81,-54.83,;87.14,-54.06,;86.82,-52.56,;87.85,-51.41,;85.64,-56.36,;84.75,-57.61,;86.28,-57.77,;82.2,-49.71,)|
Show InChI InChI=1S/C24H25N7O2/c1-11-21(12(2)33-30-11)16-8-18-15(9-19(16)32-5)22-23(27-18)25-13(3)26-24(22)28-20-10-17(14-6-7-14)29-31(20)4/h8-10,14H,6-7H2,1-5H3,(H2,25,26,27,28)
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n/an/an/a 47n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity to human CREBBP (R1081 to G1197 residues) expressed in bacterial expression system by BROMOscan assay


J Med Chem 61: 6110-6120 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00483
BindingDB Entry DOI: 10.7270/Q26M39B1
More data for this
Ligand-Target Pair
CREB-binding protein


(Homo sapiens (Human))
BDBM50602884
PNG
(CHEMBL5179520)
Show SMILES COc1ccn2c(cc(C(=O)Nc3cc(cc(-c4cnn(c4)C4CC4)c3F)C(C)O)c2c1)C(C)=O
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n/an/an/a 58n/an/an/an/an/a


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))
BDBM50178219
PNG
(CHEMBL3814752)
Show SMILES C[C@@H]1CC(=O)Nc2cccc(-c3ccc4n(C)nc(-c5cnn(C)c5)c4c3)c2N1 |r|
Show InChI InChI=1S/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-/m1/s1
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n/an/an/a 68n/an/an/an/an/a


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))
BDBM50459792
PNG
(CHEMBL4206032)
Show SMILES CCOc1ccc(cc1-c1cccc(c1)-c1nn[nH]n1)C(C)=O
Show InChI InChI=1S/C17H16N4O2/c1-3-23-16-8-7-12(11(2)22)10-15(16)13-5-4-6-14(9-13)17-18-20-21-19-17/h4-10H,3H2,1-2H3,(H,18,19,20,21)
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n/an/an/a 85n/an/an/an/an/a



University of Zurich

Curated by ChEMBL


Assay Description
Displacement of biotinylated acetylated peptide from recombinant human partial length CBP bromodomain (R1081 to G1197 residues) expressed in bacteria...


ACS Med Chem Lett 9: 929-934 (2018)


Article DOI: 10.1021/acsmedchemlett.8b00286
BindingDB Entry DOI: 10.7270/Q2WS8WVM
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
CREB-binding protein


(Homo sapiens (Human))
BDBM50579715
PNG
(CHEMBL5089448)
Show SMILES COc1ccc2CCCN(CCC\C=C\c3cccc4NC(=O)C[C@@H](C)Nc34)c2c1 |r|
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n/an/an/a 100n/an/an/an/an/a


TBA

Assay Description
Binding affinity to human CREBBP bromodomain expressed in Escherichia coli BL21 (DE3)-RIL


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00348
BindingDB Entry DOI: 10.7270/Q2RF5ZW2
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
CREB-binding protein


(Homo sapiens (Human))
BDBM50579715
PNG
(CHEMBL5089448)
Show SMILES COc1ccc2CCCN(CCC\C=C\c3cccc4NC(=O)C[C@@H](C)Nc34)c2c1 |r|
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n/an/an/a 102n/an/an/an/an/a


TBA

Assay Description
Binding affinity to human CREBBP bromodomain expressed in Escherichia coli BL21 (DE3)-RIL assessed as dissociation constant by ITC assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00348
BindingDB Entry DOI: 10.7270/Q2RF5ZW2
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
CREB-binding protein


(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/an/a 120n/an/an/an/an/a



Pfizer



Assay Description
Experiments were performed using recombinant CBP and BRD4 bromodomainsusing the procedure reported recently (Hett et al., 2015).


Chem Biol 22: 1588-96 (2015)


Article DOI: 10.1016/j.chembiol.2015.10.013
BindingDB Entry DOI: 10.7270/Q2V69HC0
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
CREB-binding protein


(Homo sapiens (Human))
BDBM50151663
PNG
(CHEMBL3774655)
Show SMILES CCC(=O)N1CCOc2c(C1)cc(cc2OC[C@H]1CCCN(C)C1)-c1ccc(OC)c(OC)c1 |r|
Show InChI InChI=1S/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-/m0/s1
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n/an/an/a 151n/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Binding affinity to CBP (unknown origin) by isothermal titration calorimetric analysis


J Med Chem 59: 1271-98 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01514
BindingDB Entry DOI: 10.7270/Q2X92D6H
More data for this
Ligand-Target Pair
CREB-binding protein


(Homo sapiens (Human))
BDBM50151663
PNG
(CHEMBL3774655)
Show SMILES CCC(=O)N1CCOc2c(C1)cc(cc2OC[C@H]1CCCN(C)C1)-c1ccc(OC)c(OC)c1 |r|
Show InChI InChI=1S/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-/m0/s1
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n/an/an/a 151n/an/an/an/an/a



University of Freiburg

Curated by ChEMBL


Assay Description
Inhibition of human CREBBP expressed in competent escherichia coli BL21(DE3)-R3-pRARE2 cells by isothermal titration calorimetry


J Med Chem 59: 1249-70 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01502
BindingDB Entry DOI: 10.7270/Q2DV1MRN
More data for this
Ligand-Target Pair
CREB-binding protein


(Homo sapiens (Human))
BDBM50579713
PNG
(CHEMBL5085843)
Show SMILES COc1ccc2CCCN(CCCC#Cc3cccc4NC(=O)C[C@@H](C)Nc34)c2c1 |r|
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TBA

Assay Description
Binding affinity to human CREBBP bromodomain expressed in Escherichia coli BL21 (DE3)-RIL assessed as dissociation constant by ITC assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00348
BindingDB Entry DOI: 10.7270/Q2RF5ZW2
More data for this
Ligand-Target Pair
CREB-binding protein


(Homo sapiens (Human))
BDBM50579713
PNG
(CHEMBL5085843)
Show SMILES COc1ccc2CCCN(CCCC#Cc3cccc4NC(=O)C[C@@H](C)Nc34)c2c1 |r|
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TBA

Assay Description
Binding affinity to human CREBBP bromodomain expressed in Escherichia coli BL21 (DE3)-RIL


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00348
BindingDB Entry DOI: 10.7270/Q2RF5ZW2
More data for this
Ligand-Target Pair
CREB-binding protein


(Homo sapiens (Human))
BDBM50311385
PNG
(CHEMBL4171749)
Show SMILES COc1ccc2n(cc(C(=O)Nc3cc(cc(-c4cnn(C)c4)c3F)C(O)=O)c2c1)C(C)=O
Show InChI InChI=1S/C23H19FN4O5/c1-12(29)28-11-18(17-8-15(33-3)4-5-20(17)28)22(30)26-19-7-13(23(31)32)6-16(21(19)24)14-9-25-27(2)10-14/h4-11H,1-3H3,(H,26,30)(H,31,32)
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n/an/an/a 165n/an/an/an/an/a


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))
BDBM249277
PNG
(US10017501, Compound 1020-18 | US9458145, 1020-18)
Show SMILES Cc1noc(C)c1-c1cc(-c2c(C)ccc3ncccc23)c2[nH]c(nc2c1)C1CC1 |(1.89,3.57,;.56,4.34,;.08,5.8,;-1.46,5.8,;-1.94,4.34,;-3.27,3.57,;-.69,3.44,;-.69,1.9,;.64,1.13,;.64,-.41,;1.98,-1.18,;3.31,-.41,;3.31,1.13,;4.65,-1.18,;4.65,-2.72,;3.31,-3.49,;3.31,-5.03,;1.98,-5.8,;.64,-5.03,;.64,-3.49,;1.98,-2.72,;-.69,-1.18,;-1.01,-2.69,;-2.54,-2.85,;-3.17,-1.45,;-2.02,-.41,;-2.02,1.13,;-3.31,-4.19,;-4.65,-4.96,;-3.31,-5.73,)|
Show InChI InChI=1S/C25H22N4O/c1-13-6-9-20-18(5-4-10-26-20)22(13)19-11-17(23-14(2)29-30-15(23)3)12-21-24(19)28-25(27-21)16-7-8-16/h4-6,9-12,16H,7-8H2,1-3H3,(H,27,28)
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n/an/an/a 170n/an/an/an/an/a



Gilead Sciences, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human partial length CREBBP (R1081 to G1197 residues) expressed in bacterial expression system after 1 hr by bromoscan assay


Bioorg Med Chem 27: 457-469 (2019)


Article DOI: 10.1016/j.bmc.2018.11.020
BindingDB Entry DOI: 10.7270/Q2HD7ZZ6
More data for this
Ligand-Target Pair
CREB-binding protein


(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/an/a 170n/an/an/an/an/a



University of Z£rich

Curated by ChEMBL


Assay Description
Competitive binding affinity to human His-tagged CREBBP expressed in T7 phage-infected Escherichia coli BL21(DE3) cells incubated for 1 hr by bromosc...


J Med Chem 59: 1350-6 (2016)


Article DOI: 10.1021/acs.jmedchem.5b00172
BindingDB Entry DOI: 10.7270/Q2F47R0S
More data for this
Ligand-Target Pair
CREB-binding protein


(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/an/a 190n/an/an/an/an/a



Pfizer



Assay Description
Experiments were performed using recombinant CBP and BRD4 bromodomainsusing the procedure reported recently (Hett et al., 2015).


Chem Biol 22: 1588-96 (2015)


Article DOI: 10.1016/j.chembiol.2015.10.013
BindingDB Entry DOI: 10.7270/Q2V69HC0
More data for this
Ligand-Target Pair
CREB-binding protein


(Homo sapiens (Human))
BDBM50579715
PNG
(CHEMBL5089448)
Show SMILES COc1ccc2CCCN(CCC\C=C\c3cccc4NC(=O)C[C@@H](C)Nc34)c2c1 |r|
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n/an/an/a 200n/an/an/an/an/a


TBA

Assay Description
Binding affinity to human CREBBP assessed as dissociation constant by BROMOscan assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00348
BindingDB Entry DOI: 10.7270/Q2RF5ZW2
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
CREB-binding protein


(Homo sapiens (Human))
BDBM50559314
PNG
(CHEMBL4741587)
Show SMILES CCc1c([nH]c(C)c1C(C)=O)C(=O)NCc1c(O)ccc2cccc(O)c12
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n/an/an/a 230n/an/an/an/an/a


TBA

Assay Description
Binding affinity to human His-Tev tagged CBP expressed in bacterial expression system incubated for 30 mins by isothermal titration calorimetry


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112861
BindingDB Entry DOI: 10.7270/Q2CC14D7
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
CREB-binding protein


(Homo sapiens (Human))
BDBM50579718
PNG
(CHEMBL5083683)
Show SMILES COc1ccc2CCCN(CCC\C=C\c3cccc4NC(=O)C[C@H](C)Nc34)c2c1 |r|
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TBA

Assay Description
Binding affinity to human CREBBP assessed as dissociation constant by BROMOscan assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00348
BindingDB Entry DOI: 10.7270/Q2RF5ZW2
More data for this
Ligand-Target Pair
CREB-binding protein


(Homo sapiens (Human))
BDBM50571550
PNG
(CHEMBL4867046)
Show SMILES COc1ccc(CCc2nc3cc(ccn3c2NC2CCCCC2)-c2c(C)noc2C)cc1
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n/an/an/a 265n/an/an/an/an/a


TBA

Assay Description
Binding affinity to human partial length CREBBP (R1081 to G1197 residues) expressed in bacterial expression system by BromoELECT assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02232
BindingDB Entry DOI: 10.7270/Q2NS0ZQF
More data for this
Ligand-Target Pair
CREB-binding protein


(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/an/a 300n/an/an/an/an/a



University of Z£rich

Curated by ChEMBL


Assay Description
Binding affinity to human His-tagged CREBBP expressed in Escherichia coli BL21(DE3) cells by isothermal titration calorimetry


J Med Chem 59: 1350-6 (2016)


Article DOI: 10.1021/acs.jmedchem.5b00172
BindingDB Entry DOI: 10.7270/Q2F47R0S
More data for this
Ligand-Target Pair
CREB-binding protein


(Homo sapiens (Human))
BDBM50571557
PNG
(CHEMBL4853072)
Show SMILES COc1ccc(CCc2nc3cc(ccn3c2NC2CCCCC2)-c2c(C)noc2C)cc1Cl
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TBA

Assay Description
Binding affinity to human partial length CREBBP (R1081 to G1197 residues) expressed in bacterial expression system by BromoELECT assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02232
BindingDB Entry DOI: 10.7270/Q2NS0ZQF
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
CREB-binding protein


(Homo sapiens (Human))
BDBM50579712
PNG
(CHEMBL5085444)
Show SMILES COc1ccc2CCCN(CCC\C=C/c3cccc4NC(=O)C[C@@H](C)Nc34)c2c1 |r|
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TBA

Assay Description
Binding affinity to human CREBBP bromodomain expressed in Escherichia coli BL21 (DE3)-RIL


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00348
BindingDB Entry DOI: 10.7270/Q2RF5ZW2
More data for this
Ligand-Target Pair
CREB-binding protein


(Homo sapiens (Human))
BDBM50151661
PNG
(CHEMBL3752296)
Show SMILES COc1ccc2CCCN(CCCNC(=O)c3cccc4NC(=O)[C@@H](C)Nc34)c2c1 |r|
Show InChI InChI=1S/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-/m1/s1
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TBA

Assay Description
Binding affinity to human CREBBP bromodomain expressed in Escherichia coli BL21 (DE3)-RIL


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00348
BindingDB Entry DOI: 10.7270/Q2RF5ZW2
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
CREB-binding protein


(Homo sapiens (Human))
BDBM50238255
PNG
(CHEMBL3753333)
Show SMILES Cc1noc(C)c1-c1ccc2n(CCN3CCOCC3)c(CCc3ccccc3)nc2c1
Show InChI InChI=1S/C26H30N4O2/c1-19-26(20(2)32-28-19)22-9-10-24-23(18-22)27-25(11-8-21-6-4-3-5-7-21)30(24)13-12-29-14-16-31-17-15-29/h3-7,9-10,18H,8,11-17H2,1-2H3
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TBA

Assay Description
Binding affinity to human CBP by isothermal titration calorimetry


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112861
BindingDB Entry DOI: 10.7270/Q2CC14D7
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
CREB-binding protein


(Homo sapiens (Human))
BDBM50579712
PNG
(CHEMBL5085444)
Show SMILES COc1ccc2CCCN(CCC\C=C/c3cccc4NC(=O)C[C@@H](C)Nc34)c2c1 |r|
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TBA

Assay Description
Binding affinity to human CREBBP bromodomain expressed in Escherichia coli BL21 (DE3)-RIL assessed as dissociation constant by ITC assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00348
BindingDB Entry DOI: 10.7270/Q2RF5ZW2
More data for this
Ligand-Target Pair
CREB-binding protein


(Homo sapiens (Human))
BDBM50151661
PNG
(CHEMBL3752296)
Show SMILES COc1ccc2CCCN(CCCNC(=O)c3cccc4NC(=O)[C@@H](C)Nc34)c2c1 |r|
Show InChI InChI=1S/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-/m1/s1
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TBA

Assay Description
Binding affinity to human CREBBP bromodomain expressed in Escherichia coli BL21 (DE3)-RIL assessed as dissociation constant by ITC assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00348
BindingDB Entry DOI: 10.7270/Q2RF5ZW2
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
CREB-binding protein


(Homo sapiens (Human))
BDBM50148556
PNG
(CHEMBL3770322)
Show SMILES CCOc1ccc(cc1NC(=O)c1cc(COC2CCCCO2)cc(c1)C(O)=O)C(C)=O
Show InChI InChI=1S/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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University of Z£rich

Curated by ChEMBL


Assay Description
Competitive binding affinity to human His-tagged CREBBP expressed in T7 phage-infected Escherichia coli BL21(DE3) cells incubated for 1 hr by bromosc...


J Med Chem 59: 1350-6 (2016)


Article DOI: 10.1021/acs.jmedchem.5b00172
BindingDB Entry DOI: 10.7270/Q2F47R0S
More data for this
Ligand-Target Pair
CREB-binding protein


(Homo sapiens (Human))
BDBM50151661
PNG
(CHEMBL3752296)
Show SMILES COc1ccc2CCCN(CCCNC(=O)c3cccc4NC(=O)[C@@H](C)Nc34)c2c1 |r|
Show InChI InChI=1S/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-/m1/s1
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n/an/an/a 390n/an/an/an/an/a



University of Freiburg

Curated by ChEMBL


Assay Description
Inhibition of human His6-tagged CREBBP expressed in competent Escherichia coli BL21 (DE3) cells by isothermal titration calorimetry


J Med Chem 59: 1249-70 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01502
BindingDB Entry DOI: 10.7270/Q2DV1MRN
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
CREB-binding protein


(Homo sapiens (Human))
BDBM50151661
PNG
(CHEMBL3752296)
Show SMILES COc1ccc2CCCN(CCCNC(=O)c3cccc4NC(=O)[C@@H](C)Nc34)c2c1 |r|
Show InChI InChI=1S/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-/m1/s1
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n/an/an/a 390n/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Binding affinity to CBP (unknown origin) by isothermal titration calorimetric analysis


J Med Chem 59: 1271-98 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01514
BindingDB Entry DOI: 10.7270/Q2X92D6H
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
CREB-binding protein


(Homo sapiens (Human))
BDBM50579714
PNG
(CHEMBL5076790)
Show SMILES COc1ccc2CCCN(CCCNC(=O)c3cccc4NC(=O)C[C@@H](C)Nc34)c2c1 |r|
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TBA

Assay Description
Binding affinity to human CREBBP bromodomain expressed in Escherichia coli BL21 (DE3)-RIL assessed as dissociation constant by ITC assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00348
BindingDB Entry DOI: 10.7270/Q2RF5ZW2
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
CREB-binding protein


(Homo sapiens (Human))
BDBM50148553
PNG
(CHEMBL3769500)
Show SMILES CCOc1ccc(cc1NC(=O)c1cccc(c1)C(=O)OC)C(C)=O
Show InChI InChI=1S/C19H19NO5/c1-4-25-17-9-8-13(12(2)21)11-16(17)20-18(22)14-6-5-7-15(10-14)19(23)24-3/h5-11H,4H2,1-3H3,(H,20,22)
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University of Z£rich

Curated by ChEMBL


Assay Description
Competitive binding affinity to human His-tagged CREBBP expressed in T7 phage-infected Escherichia coli BL21(DE3) cells incubated for 1 hr by bromosc...


J Med Chem 59: 1350-6 (2016)


Article DOI: 10.1021/acs.jmedchem.5b00172
BindingDB Entry DOI: 10.7270/Q2F47R0S
More data for this
Ligand-Target Pair
CREB-binding protein


(Homo sapiens (Human))
BDBM50579714
PNG
(CHEMBL5076790)
Show SMILES COc1ccc2CCCN(CCCNC(=O)c3cccc4NC(=O)C[C@@H](C)Nc34)c2c1 |r|
PDB
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n/an/an/a 501n/an/an/an/an/a


TBA

Assay Description
Binding affinity to human CREBBP bromodomain expressed in Escherichia coli BL21 (DE3)-RIL


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00348
BindingDB Entry DOI: 10.7270/Q2RF5ZW2
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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