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Compile Data Set for Download or QSAR

Found 116 hits with Last Name = 'setser' and Initial = 'j'   
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
Bromodomain testis-specific protein


(Homo sapiens (Human))
BDBM50558065
PNG
(CHEMBL4780530)
Show SMILES C[C@@H]1CN(c2ccc(Cl)cc2)c2cc(ccc2-n2c(C)nnc12)-c1ccc(N)nc1 |r|
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TBA

Assay Description
Inhibition of BRDT BD2 (unknown origin) using biotinylated JQ1 analog as substrate measured after 20 mins by AlphaLISA assay


Citation and Details

Article DOI: 10.1021/ml500411h
BindingDB Entry DOI: 10.7270/Q2DV1PK7
More data for this
Ligand-Target Pair
Bromodomain testis-specific protein


(Homo sapiens (Human))
BDBM50558065
PNG
(CHEMBL4780530)
Show SMILES C[C@@H]1CN(c2ccc(Cl)cc2)c2cc(ccc2-n2c(C)nnc12)-c1ccc(N)nc1 |r|
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TBA

Assay Description
Inhibition of BRDT BD1 (unknown origin) using biotinylated JQ1 analog as substrate measured after 20 mins by AlphaLISA assay


Citation and Details

Article DOI: 10.1021/ml500411h
BindingDB Entry DOI: 10.7270/Q2DV1PK7
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50558065
PNG
(CHEMBL4780530)
Show SMILES C[C@@H]1CN(c2ccc(Cl)cc2)c2cc(ccc2-n2c(C)nnc12)-c1ccc(N)nc1 |r|
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TBA

Assay Description
Inhibition of BRD4 BD2 (unknown origin) using biotinylated JQ1 analog as substrate measured after 20 mins by AlphaLISA assay


Citation and Details

Article DOI: 10.1021/ml500411h
BindingDB Entry DOI: 10.7270/Q2DV1PK7
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Bromodomain-containing protein 2


(Homo sapiens (Human))
BDBM50558065
PNG
(CHEMBL4780530)
Show SMILES C[C@@H]1CN(c2ccc(Cl)cc2)c2cc(ccc2-n2c(C)nnc12)-c1ccc(N)nc1 |r|
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TBA

Assay Description
Inhibition of BRD2 BD1 (unknown origin) using biotinylated JQ1 analog as substrate measured after 20 mins by AlphaLISA assay


Citation and Details

Article DOI: 10.1021/ml500411h
BindingDB Entry DOI: 10.7270/Q2DV1PK7
More data for this
Ligand-Target Pair
Bromodomain-containing protein 2


(Homo sapiens (Human))
BDBM50558065
PNG
(CHEMBL4780530)
Show SMILES C[C@@H]1CN(c2ccc(Cl)cc2)c2cc(ccc2-n2c(C)nnc12)-c1ccc(N)nc1 |r|
PDB

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TBA

Assay Description
Inhibition of BRD2 BD2 (unknown origin) using biotinylated JQ1 analog as substrate measured after 20 mins by AlphaLISA assay


Citation and Details

Article DOI: 10.1021/ml500411h
BindingDB Entry DOI: 10.7270/Q2DV1PK7
More data for this
Ligand-Target Pair
Bromodomain-containing protein 3


(Homo sapiens (Human))
BDBM50558065
PNG
(CHEMBL4780530)
Show SMILES C[C@@H]1CN(c2ccc(Cl)cc2)c2cc(ccc2-n2c(C)nnc12)-c1ccc(N)nc1 |r|
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TBA

Assay Description
Inhibition of BRD3 BD1 (unknown origin) using biotinylated JQ1 analog as substrate measured after 20 mins by AlphaLISA assay


Citation and Details

Article DOI: 10.1021/ml500411h
BindingDB Entry DOI: 10.7270/Q2DV1PK7
More data for this
Ligand-Target Pair
Bromodomain-containing protein 3


(Homo sapiens (Human))
BDBM50558065
PNG
(CHEMBL4780530)
Show SMILES C[C@@H]1CN(c2ccc(Cl)cc2)c2cc(ccc2-n2c(C)nnc12)-c1ccc(N)nc1 |r|
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TBA

Assay Description
Inhibition of BRD3 BD2 (unknown origin) using biotinylated JQ1 analog as substrate measured after 20 mins by AlphaLISA assay


Citation and Details

Article DOI: 10.1021/ml500411h
BindingDB Entry DOI: 10.7270/Q2DV1PK7
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50558065
PNG
(CHEMBL4780530)
Show SMILES C[C@@H]1CN(c2ccc(Cl)cc2)c2cc(ccc2-n2c(C)nnc12)-c1ccc(N)nc1 |r|
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TBA

Assay Description
Inhibition of His/FLAG-tagged BRD4 BD1 (unknown origin) using histone H4-TetraAcetylated-biotin peptide as substrate incubated for 20 mins by AlphaLI...


Citation and Details

Article DOI: 10.1021/ml500411h
BindingDB Entry DOI: 10.7270/Q2DV1PK7
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50380682
PNG
(CHEMBL2017291 | I-BET151 (16))
Show SMILES COc1cc2c3n([C@H](C)c4ccccn4)c(=O)[nH]c3cnc2cc1-c1c(C)noc1C |r,wD:7.7,(46.55,-39.62,;46.55,-41.16,;47.89,-41.93,;49.21,-41.16,;50.55,-41.92,;51.88,-41.15,;52.18,-39.65,;51.41,-38.32,;49.87,-38.32,;52.18,-36.98,;51.41,-35.66,;52.17,-34.32,;53.72,-34.32,;54.49,-35.66,;53.72,-36.99,;53.7,-39.47,;54.46,-38.13,;54.34,-40.87,;53.21,-41.9,;53.22,-43.46,;51.89,-44.23,;50.55,-43.47,;49.22,-44.25,;47.88,-43.47,;46.55,-44.24,;46.51,-45.79,;47.74,-46.72,;45.04,-46.23,;44.16,-44.97,;45.09,-43.74,;44.64,-42.27,)|
Show InChI InChI=1S/C23H21N5O3/c1-12-21(14(3)31-27-12)16-9-18-15(10-20(16)30-4)22-19(11-25-18)26-23(29)28(22)13(2)17-7-5-6-8-24-17/h5-11,13H,1-4H3,(H,26,29)/t13-/m1/s1
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TBA

Assay Description
Inhibition of His/FLAG-tagged BRD4 BD1 (unknown origin) using histone H4-TetraAcetylated-biotin peptide as substrate incubated for 20 mins by AlphaLI...


Citation and Details

Article DOI: 10.1021/ml500411h
BindingDB Entry DOI: 10.7270/Q2DV1PK7
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50365262
PNG
((+)-JQ1 | (S)-JQ1 (1) | CHEMBL1957266 | JQ1 | US10...)
Show SMILES Cc1nnc2[C@H](CC(=O)OC(C)(C)C)N=C(c3c(C)c(C)sc3-n12)c1ccc(Cl)cc1 |r,c:14|
Show InChI InChI=1S/C23H25ClN4O2S/c1-12-13(2)31-22-19(12)20(15-7-9-16(24)10-8-15)25-17(11-18(29)30-23(4,5)6)21-27-26-14(3)28(21)22/h7-10,17H,11H2,1-6H3/t17-/m0/s1
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TBA

Assay Description
Inhibition of His/FLAG-tagged BRD4 BD1 (unknown origin) using histone H4-TetraAcetylated-biotin peptide as substrate incubated for 20 mins by AlphaLI...


Citation and Details

Article DOI: 10.1021/ml500411h
BindingDB Entry DOI: 10.7270/Q2DV1PK7
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50558050
PNG
(CHEMBL4787546)
Show SMILES C[C@@H]1CN(c2ccc(Cl)cc2)c2cc(ccc2-n2c(C)nnc12)-c1ccc(=O)n(C)c1 |r|
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TBA

Assay Description
Inhibition of His/FLAG-tagged BRD4 BD1 (unknown origin) using histone H4-TetraAcetylated-biotin peptide as substrate incubated for 20 mins by AlphaLI...


Citation and Details

Article DOI: 10.1021/ml500411h
BindingDB Entry DOI: 10.7270/Q2DV1PK7
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50558056
PNG
(CHEMBL4798106)
Show SMILES CC1CN(c2ccc(Cl)cc2)c2cc(ccc2-n2c(C)nnc12)-c1ccc(N)nc1
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TBA

Assay Description
Inhibition of His/FLAG-tagged BRD4 BD1 (unknown origin) using histone H4-TetraAcetylated-biotin peptide as substrate incubated for 20 mins by AlphaLI...


Citation and Details

Article DOI: 10.1021/ml500411h
BindingDB Entry DOI: 10.7270/Q2DV1PK7
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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Constellation Pharmaceuticals

Curated by ChEMBL


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


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


Article DOI: 10.1021/acsmedchemlett.6b00075
BindingDB Entry DOI: 10.7270/Q20G3N3S
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50558061
PNG
(CHEMBL4797297)
Show SMILES CC1CN(c2ccc(cc2)C#N)c2cc(ccc2-c2c(C)noc12)-c1cnn(CC(N)=O)c1
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TBA

Assay Description
Inhibition of His/FLAG-tagged BRD4 BD1 (unknown origin) using histone H4-TetraAcetylated-biotin peptide as substrate incubated for 20 mins by AlphaLI...


Citation and Details

Article DOI: 10.1021/ml500411h
BindingDB Entry DOI: 10.7270/Q2DV1PK7
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50558060
PNG
(CHEMBL4742152)
Show SMILES CC1CN(c2ccc(cc2)C#N)c2cc(ccc2-c2c(C)noc12)-c1ccc(=O)n(C)c1
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TBA

Assay Description
Inhibition of His/FLAG-tagged BRD4 BD1 (unknown origin) using histone H4-TetraAcetylated-biotin peptide as substrate incubated for 20 mins by AlphaLI...


Citation and Details

Article DOI: 10.1021/ml500411h
BindingDB Entry DOI: 10.7270/Q2DV1PK7
More data for this
Ligand-Target Pair
CREB-binding protein


(Homo sapiens (Human))
BDBM50178220
PNG
(CHEMBL3814550 | US10206931, Example 57)
Show SMILES C[C@@H]1CC(=O)Nc2cccc(-c3ccc4n(C)nc(C5CC5)c4c3)c2N1 |r|
Show InChI InChI=1S/C21H22N4O/c1-12-10-19(26)23-17-5-3-4-15(21(17)22-12)14-8-9-18-16(11-14)20(13-6-7-13)24-25(18)2/h3-5,8-9,11-13,22H,6-7,10H2,1-2H3,(H,23,26)/t12-/m1/s1
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Constellation Pharmaceuticals

Curated by ChEMBL


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


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


Article DOI: 10.1021/acsmedchemlett.6b00075
BindingDB Entry DOI: 10.7270/Q20G3N3S
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50558062
PNG
(CHEMBL4762746)
Show SMILES CC1CN(c2ccc(cc2)C#N)c2cc(ccc2-c2c(C)noc12)-c1ccc(N)nc1
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TBA

Assay Description
Inhibition of His/FLAG-tagged BRD4 BD1 (unknown origin) using histone H4-TetraAcetylated-biotin peptide as substrate incubated for 20 mins by AlphaLI...


Citation and Details

Article DOI: 10.1021/ml500411h
BindingDB Entry DOI: 10.7270/Q2DV1PK7
More data for this
Ligand-Target Pair
CREB-binding protein


(Homo sapiens (Human))
BDBM50178169
PNG
(CHEMBL3814896 | US10206931, Example 75)
Show SMILES C[C@@H]1CC(=O)Nc2cccc(C(=O)Nc3cccc(c3)-c3cnco3)c2N1 |r|
Show InChI InChI=1S/C20H18N4O3/c1-12-8-18(25)24-16-7-3-6-15(19(16)22-12)20(26)23-14-5-2-4-13(9-14)17-10-21-11-27-17/h2-7,9-12,22H,8H2,1H3,(H,23,26)(H,24,25)/t12-/m1/s1
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Constellation Pharmaceuticals

Curated by ChEMBL


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


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


Article DOI: 10.1021/acsmedchemlett.6b00075
BindingDB Entry DOI: 10.7270/Q20G3N3S
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50558057
PNG
(CHEMBL4790376)
Show SMILES Cc1nnc2CCN(c3ccc(Cl)cc3)c3cc(ccc3-n12)-c1cnn(C)c1
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TBA

Assay Description
Inhibition of His/FLAG-tagged BRD4 BD1 (unknown origin) using histone H4-TetraAcetylated-biotin peptide as substrate incubated for 20 mins by AlphaLI...


Citation and Details

Article DOI: 10.1021/ml500411h
BindingDB Entry DOI: 10.7270/Q2DV1PK7
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50558051
PNG
(CHEMBL4789090)
Show SMILES C[C@@H]1CN(c2ccc(Cl)cc2)c2cc(ccc2-n2c(C)nnc12)-c1ccc(C)nc1 |r|
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TBA

Assay Description
Inhibition of His/FLAG-tagged BRD4 BD1 (unknown origin) using histone H4-TetraAcetylated-biotin peptide as substrate incubated for 20 mins by AlphaLI...


Citation and Details

Article DOI: 10.1021/ml500411h
BindingDB Entry DOI: 10.7270/Q2DV1PK7
More data for this
Ligand-Target Pair
Histone acetyltransferase p300


(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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Constellation Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of biotinylated ligand from recombinant His-tagged EP300 (unknown origin) incubated for 10 mins by TR-FRET assay


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)
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50558063
PNG
(CHEMBL4763469)
Show SMILES Cc1noc2CCN(c3ccc(cc3)C#N)c3cc(ccc3-c12)-c1ccc(N)nc1
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TBA

Assay Description
Inhibition of His/FLAG-tagged BRD4 BD1 (unknown origin) using histone H4-TetraAcetylated-biotin peptide as substrate incubated for 20 mins by AlphaLI...


Citation and Details

Article DOI: 10.1021/ml500411h
BindingDB Entry DOI: 10.7270/Q2DV1PK7
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50558048
PNG
(CHEMBL4741699)
Show SMILES C[C@@H]1CN(c2ccc(Cl)cc2)c2cc(ccc2-n2c(C)nnc12)C(N)=O |r|
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TBA

Assay Description
Inhibition of His/FLAG-tagged BRD4 BD1 (unknown origin) using histone H4-TetraAcetylated-biotin peptide as substrate incubated for 20 mins by AlphaLI...


Citation and Details

Article DOI: 10.1021/ml500411h
BindingDB Entry DOI: 10.7270/Q2DV1PK7
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50558049
PNG
(CHEMBL4752061)
Show SMILES C[C@@H]1CN(c2ccc(Cl)cc2)c2cc(ccc2-n2c(C)nnc12)-n1cncn1 |r|
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TBA

Assay Description
Inhibition of His/FLAG-tagged BRD4 BD1 (unknown origin) using histone H4-TetraAcetylated-biotin peptide as substrate incubated for 20 mins by AlphaLI...


Citation and Details

Article DOI: 10.1021/ml500411h
BindingDB Entry DOI: 10.7270/Q2DV1PK7
More data for this
Ligand-Target Pair
CREB-binding protein


(Homo sapiens (Human))
BDBM50178161
PNG
(CHEMBL3813929)
Show SMILES C[C@@H]1CC(=O)Nc2cccc(-c3ccc4n(C)nc(C(N)=O)c4c3)c2N1 |r|
Show InChI InChI=1S/C19H19N5O2/c1-10-8-16(25)22-14-5-3-4-12(17(14)21-10)11-6-7-15-13(9-11)18(19(20)26)23-24(15)2/h3-7,9-10,21H,8H2,1-2H3,(H2,20,26)(H,22,25)/t10-/m1/s1
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n/an/a 77n/an/an/an/an/an/a



Constellation Pharmaceuticals

Curated by ChEMBL


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


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


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


(Homo sapiens (Human))
BDBM50178163
PNG
(CHEMBL3813846 | US10206931, Example 286)
Show SMILES C[C@@H]1CC(=O)Nc2cccc(-c3cccc(OCc4ccccc4)c3)c2N1 |r|
Show InChI InChI=1S/C23H22N2O2/c1-16-13-22(26)25-21-12-6-11-20(23(21)24-16)18-9-5-10-19(14-18)27-15-17-7-3-2-4-8-17/h2-12,14,16,24H,13,15H2,1H3,(H,25,26)/t16-/m1/s1
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n/an/a 110n/an/an/an/an/an/a



Constellation Pharmaceuticals

Curated by ChEMBL


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


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


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))
BDBM50178168
PNG
(CHEMBL3814246 | US10206931, Example 176)
Show SMILES COc1ccc(cc1OC)-c1cccc2NC(=O)C[C@@H](C)Nc12 |r|
Show InChI InChI=1S/C18H20N2O3/c1-11-9-17(21)20-14-6-4-5-13(18(14)19-11)12-7-8-15(22-2)16(10-12)23-3/h4-8,10-11,19H,9H2,1-3H3,(H,20,21)/t11-/m1/s1
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n/an/a 130n/an/an/an/an/an/a



Constellation Pharmaceuticals

Curated by ChEMBL


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


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


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


(Homo sapiens (Human))
BDBM50178164
PNG
(CHEMBL3815023 | US10206931, Example 173)
Show SMILES CC(c1ccccc1)n1cc(cn1)-c1cccc2NC(=O)C[C@@H](C)Nc12 |r|
Show InChI InChI=1S/C21H22N4O/c1-14-11-20(26)24-19-10-6-9-18(21(19)23-14)17-12-22-25(13-17)15(2)16-7-4-3-5-8-16/h3-10,12-15,23H,11H2,1-2H3,(H,24,26)/t14-,15?/m1/s1
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n/an/a 160n/an/an/an/an/an/a



Constellation Pharmaceuticals

Curated by ChEMBL


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


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


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


(Homo sapiens (Human))
BDBM50178162
PNG
(CHEMBL3814197)
Show SMILES C[C@@H]1CC(=O)Nc2cccc(-c3ccc4n(C)ncc4c3)c2N1 |r|
Show InChI InChI=1S/C18H18N4O/c1-11-8-17(23)21-15-5-3-4-14(18(15)20-11)12-6-7-16-13(9-12)10-19-22(16)2/h3-7,9-11,20H,8H2,1-2H3,(H,21,23)/t11-/m1/s1
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n/an/a 240n/an/an/an/an/an/a



Constellation Pharmaceuticals

Curated by ChEMBL


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


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


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


(Homo sapiens (Human))
BDBM50178221
PNG
(CHEMBL3814602)
Show SMILES C[C@@H]1CC(=O)Nc2cccc(-c3ccc4n(C)nc(C#N)c4c3)c2N1 |r|
Show InChI InChI=1S/C19H17N5O/c1-11-8-18(25)22-15-5-3-4-13(19(15)21-11)12-6-7-17-14(9-12)16(10-20)23-24(17)2/h3-7,9,11,21H,8H2,1-2H3,(H,22,25)/t11-/m1/s1
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n/an/a 250n/an/an/an/an/an/a



Constellation Pharmaceuticals

Curated by ChEMBL


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


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


Article DOI: 10.1021/acsmedchemlett.6b00075
BindingDB Entry DOI: 10.7270/Q20G3N3S
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50558047
PNG
(CHEMBL4764084)
Show SMILES C[C@@H]1CN(c2ccc(Cl)cc2)c2cc(ccc2-n2c(C)nnc12)-n1ncnc1C |r|
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TBA

Assay Description
Inhibition of His/FLAG-tagged BRD4 BD1 (unknown origin) using histone H4-TetraAcetylated-biotin peptide as substrate incubated for 20 mins by AlphaLI...


Citation and Details

Article DOI: 10.1021/ml500411h
BindingDB Entry DOI: 10.7270/Q2DV1PK7
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50558059
PNG
(CHEMBL4763220)
Show SMILES Cc1noc2C(CC(N)=O)CN(c3ccc(cc3)C#N)c3cc(ccc3-c12)-c1cnn(C)c1
PDB

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TBA

Assay Description
Inhibition of His/FLAG-tagged BRD4 BD1 (unknown origin) using histone H4-TetraAcetylated-biotin peptide as substrate incubated for 20 mins by AlphaLI...


Citation and Details

Article DOI: 10.1021/ml500411h
BindingDB Entry DOI: 10.7270/Q2DV1PK7
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50558055
PNG
(CHEMBL4782851)
Show SMILES CC1CN(c2ccc(Cl)cc2)c2ccccc2-n2c(C)nnc12
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n/an/a 350n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of His/FLAG-tagged BRD4 BD1 (unknown origin) using histone H4-TetraAcetylated-biotin peptide as substrate incubated for 20 mins by AlphaLI...


Citation and Details

Article DOI: 10.1021/ml500411h
BindingDB Entry DOI: 10.7270/Q2DV1PK7
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
CREB-binding protein


(Homo sapiens (Human))
BDBM50178187
PNG
(CHEMBL3814891)
Show SMILES C[C@@H]1CC(=O)Nc2cccc(C(=O)NCc3ccccc3)c2N1 |r|
Show InChI InChI=1S/C18H19N3O2/c1-12-10-16(22)21-15-9-5-8-14(17(15)20-12)18(23)19-11-13-6-3-2-4-7-13/h2-9,12,20H,10-11H2,1H3,(H,19,23)(H,21,22)/t12-/m1/s1
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n/an/a 530n/an/an/an/an/an/a



Constellation Pharmaceuticals

Curated by ChEMBL


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


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


Article DOI: 10.1021/acsmedchemlett.6b00075
BindingDB Entry DOI: 10.7270/Q20G3N3S
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50558064
PNG
(CHEMBL4741366)
Show SMILES Cc1noc2CCN(c3ccc(cc3)C#N)c3ccccc3-c12
PDB

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TBA

Assay Description
Inhibition of His/FLAG-tagged BRD4 BD1 (unknown origin) using histone H4-TetraAcetylated-biotin peptide as substrate incubated for 20 mins by AlphaLI...


Citation and Details

Article DOI: 10.1021/ml500411h
BindingDB Entry DOI: 10.7270/Q2DV1PK7
More data for this
Ligand-Target Pair
CREB-binding protein


(Homo sapiens (Human))
BDBM50178175
PNG
(CHEMBL3813915)
Show SMILES CC[C@@H](NC(=O)c1cccc2NC(=O)C[C@@H](C)Nc12)c1cnco1 |r|
Show InChI InChI=1S/C17H20N4O3/c1-3-12(14-8-18-9-24-14)21-17(23)11-5-4-6-13-16(11)19-10(2)7-15(22)20-13/h4-6,8-10,12,19H,3,7H2,1-2H3,(H,20,22)(H,21,23)/t10-,12-/m1/s1
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n/an/a 620n/an/an/an/an/an/a



Constellation Pharmaceuticals

Curated by ChEMBL


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


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


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


(Homo sapiens (Human))
BDBM50178170
PNG
(CHEMBL3814881)
Show SMILES C[C@@H]1CC(=O)Nc2cccc(C(=O)NC3CCOc4ccccc34)c2N1 |r|
Show InChI InChI=1S/C20H21N3O3/c1-12-11-18(24)22-16-7-4-6-14(19(16)21-12)20(25)23-15-9-10-26-17-8-3-2-5-13(15)17/h2-8,12,15,21H,9-11H2,1H3,(H,22,24)(H,23,25)/t12-,15?/m1/s1
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n/an/a 670n/an/an/an/an/an/a



Constellation Pharmaceuticals

Curated by ChEMBL


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


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


Article DOI: 10.1021/acsmedchemlett.6b00075
BindingDB Entry DOI: 10.7270/Q20G3N3S
More data for this
Ligand-Target Pair
Bromodomain-containing protein 9


(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/a 730n/an/an/an/an/an/a



Constellation Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of biotinylated ligand from recombinant His-tagged BRD9 (unknown origin) incubated for 10 mins by TR-FRET assay


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
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50558053
PNG
(CHEMBL4785419)
Show SMILES C[C@H]1CN(c2ccc(Cl)cc2)c2cc(ccc2-n2c(C)nnc12)-c1ccc(N)nc1 |r|
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TBA

Assay Description
Inhibition of His/FLAG-tagged BRD4 BD1 (unknown origin) using histone H4-TetraAcetylated-biotin peptide as substrate incubated for 20 mins by AlphaLI...


Citation and Details

Article DOI: 10.1021/ml500411h
BindingDB Entry DOI: 10.7270/Q2DV1PK7
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
CREB-binding protein


(Homo sapiens (Human))
BDBM50178183
PNG
(CHEMBL3813713)
Show SMILES C[C@@H](NC(=O)c1cccc2NC(=O)C[C@@H](C)Nc12)c1ccccc1 |r|
Show InChI InChI=1S/C19H21N3O2/c1-12-11-17(23)22-16-10-6-9-15(18(16)20-12)19(24)21-13(2)14-7-4-3-5-8-14/h3-10,12-13,20H,11H2,1-2H3,(H,21,24)(H,22,23)/t12-,13-/m1/s1
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Constellation Pharmaceuticals

Curated by ChEMBL


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


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


Article DOI: 10.1021/acsmedchemlett.6b00075
BindingDB Entry DOI: 10.7270/Q20G3N3S
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50558046
PNG
(CHEMBL4746893)
Show SMILES C[C@@H]1CN(c2ccc(Cl)cc2)c2cc(ccc2-n2c(C)nnc12)S(C)(=O)=O |r|
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n/an/a 1.20E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of His/FLAG-tagged BRD4 BD1 (unknown origin) using histone H4-TetraAcetylated-biotin peptide as substrate incubated for 20 mins by AlphaLI...


Citation and Details

Article DOI: 10.1021/ml500411h
BindingDB Entry DOI: 10.7270/Q2DV1PK7
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50558052
PNG
(CHEMBL4752917)
Show SMILES CC1Cc2nnc(C)n2-c2ccccc2N1c1ccc(Cl)cc1
PDB

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TBA

Assay Description
Inhibition of His/FLAG-tagged BRD4 BD1 (unknown origin) using histone H4-TetraAcetylated-biotin peptide as substrate incubated for 20 mins by AlphaLI...


Citation and Details

Article DOI: 10.1021/ml500411h
BindingDB Entry DOI: 10.7270/Q2DV1PK7
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50558058
PNG
(CHEMBL4759645)
Show SMILES Cc1nnc2CCN(c3ccc(Cl)cc3)c3ccccc3-n12
PDB

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n/an/a 1.56E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of His/FLAG-tagged BRD4 BD1 (unknown origin) using histone H4-TetraAcetylated-biotin peptide as substrate incubated for 20 mins by AlphaLI...


Citation and Details

Article DOI: 10.1021/ml500411h
BindingDB Entry DOI: 10.7270/Q2DV1PK7
More data for this
Ligand-Target Pair
CREB-binding protein


(Homo sapiens (Human))
BDBM50178188
PNG
(CHEMBL3813731 | US10206931, Example 114)
Show SMILES C[C@@H]1CC(=O)Nc2ccc(OCc3cccnc3)cc2O1 |r|
Show InChI InChI=1S/C16H16N2O3/c1-11-7-16(19)18-14-5-4-13(8-15(14)21-11)20-10-12-3-2-6-17-9-12/h2-6,8-9,11H,7,10H2,1H3,(H,18,19)/t11-/m1/s1
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n/an/a 1.90E+3n/an/an/an/an/an/a



Constellation Pharmaceuticals

Curated by ChEMBL


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


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


Article DOI: 10.1021/acsmedchemlett.6b00075
BindingDB Entry DOI: 10.7270/Q20G3N3S
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50558054
PNG
(CHEMBL4760884)
Show SMILES CCNC(=O)CC1CN(c2ccc(Cl)cc2)c2ccccc2-n2c(C)nnc12
PDB

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n/an/a 2.10E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of His/FLAG-tagged BRD4 BD1 (unknown origin) using histone H4-TetraAcetylated-biotin peptide as substrate incubated for 20 mins by AlphaLI...


Citation and Details

Article DOI: 10.1021/ml500411h
BindingDB Entry DOI: 10.7270/Q2DV1PK7
More data for this
Ligand-Target Pair
CREB-binding protein


(Homo sapiens (Human))
BDBM50558065
PNG
(CHEMBL4780530)
Show SMILES C[C@@H]1CN(c2ccc(Cl)cc2)c2cc(ccc2-n2c(C)nnc12)-c1ccc(N)nc1 |r|
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n/an/a 2.20E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of His-tagged CBP (unknown origin) using biotinylated acetylated peptide as substrate measured after 20 mins by AlphaLISA assay


Citation and Details

Article DOI: 10.1021/ml500411h
BindingDB Entry DOI: 10.7270/Q2DV1PK7
More data for this
Ligand-Target Pair
CREB-binding protein


(Homo sapiens (Human))
BDBM50178218
PNG
(CHEMBL3814595)
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-/m0/s1
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n/an/a 3.40E+3n/an/an/an/an/an/a



Constellation Pharmaceuticals

Curated by ChEMBL


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


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


Article DOI: 10.1021/acsmedchemlett.6b00075
BindingDB Entry DOI: 10.7270/Q20G3N3S
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50178188
PNG
(CHEMBL3813731 | US10206931, Example 114)
Show SMILES C[C@@H]1CC(=O)Nc2ccc(OCc3cccnc3)cc2O1 |r|
Show InChI InChI=1S/C16H16N2O3/c1-11-7-16(19)18-14-5-4-13(8-15(14)21-11)20-10-12-3-2-6-17-9-12/h2-6,8-9,11H,7,10H2,1H3,(H,18,19)/t11-/m1/s1
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n/an/a 3.50E+3n/an/an/an/an/an/a



Constellation Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of biotinylated ligand from recombinant His-tagged BRD4 bromodomain-1 (unknown origin) incubated for 10 mins by TR-FRET assay


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
CREB-binding protein


(Homo sapiens (Human))
BDBM50178192
PNG
(CHEMBL3814772 | US10206931, Example 123)
Show SMILES C[C@@H](Oc1ccc2NC(=O)C[C@@H](C)Nc2c1)c1ccccc1 |r|
Show InChI InChI=1S/C18H20N2O2/c1-12-10-18(21)20-16-9-8-15(11-17(16)19-12)22-13(2)14-6-4-3-5-7-14/h3-9,11-13,19H,10H2,1-2H3,(H,20,21)/t12-,13-/m1/s1
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n/an/a 4.10E+3n/an/an/an/an/an/a



Constellation Pharmaceuticals

Curated by ChEMBL


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


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


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))
BDBM50178181
PNG
(CHEMBL3813744)
Show SMILES C[C@H](NC(=O)c1cccc2NC(=O)C[C@@H](C)Nc12)c1ccccc1 |r|
Show InChI InChI=1S/C19H21N3O2/c1-12-11-17(23)22-16-10-6-9-15(18(16)20-12)19(24)21-13(2)14-7-4-3-5-8-14/h3-10,12-13,20H,11H2,1-2H3,(H,21,24)(H,22,23)/t12-,13+/m1/s1
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n/an/a 5.00E+3n/an/an/an/an/an/a



Constellation Pharmaceuticals

Curated by ChEMBL


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


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


Article DOI: 10.1021/acsmedchemlett.6b00075
BindingDB Entry DOI: 10.7270/Q20G3N3S
More data for this
Ligand-Target Pair
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