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Compile Data Set for Download or QSAR

Found 9 hits of kd for monomerid = 50151661   
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))
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))
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 316n/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))
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 353n/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))
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))
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)
Bromodomain-containing protein 4


(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 1.00E+3n/an/an/an/an/a


TBA

Assay Description
Binding affinity to human BRD4 bromodomain 1


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00348
BindingDB Entry DOI: 10.7270/Q2RF5ZW2
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(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 1.01E+3n/an/an/an/an/a


TBA

Assay Description
Binding affinity to human BRD4 bromodomain 1 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
Bromodomain-containing protein 4


(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 1.40E+3n/an/an/an/an/a



University of Freiburg

Curated by ChEMBL


Assay Description
Inhibition of human BRD4 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
Bromodomain-containing protein 4


(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
PDB

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


TBA

Assay Description
Binding affinity to BRD4 bromodomain 1 (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