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Compile Data Set for Download or QSAR

Found 81 hits with Last Name = 'hansen' and Initial = 'hc'   
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
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50093777
PNG
(CHEMBL81377 | N-Cyclooctyl-N-{1-[3-(4-fluoro-pheno...)
Show SMILES CCC(=O)N(C1CCN(CCCOc2ccc(F)cc2)CC1)C1CCCCCCC1
Show InChI InChI=1S/C25H39FN2O2/c1-2-25(29)28(22-9-6-4-3-5-7-10-22)23-15-18-27(19-16-23)17-8-20-30-24-13-11-21(26)12-14-24/h11-14,22-23H,2-10,15-20H2,1H3
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20n/an/an/an/an/an/an/an/a



ACADIA Pharmaceuticals A/S

Curated by ChEMBL


Assay Description
Compound was evaluated for its binding against 5-hydroxytryptamine 2A receptor


Bioorg Med Chem Lett 10: 2435-9 (2001)


BindingDB Entry DOI: 10.7270/Q2V69HTT
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM86525
PNG
(AMI-193 | CAS_77445 | CHEMBL79834 | NSC_77445)
Show SMILES Fc1ccc(OCCCN2CCC3(CC2)N(CNC3=O)c2ccccc2)cc1
Show InChI InChI=1S/C22H26FN3O2/c23-18-7-9-20(10-8-18)28-16-4-13-25-14-11-22(12-15-25)21(27)24-17-26(22)19-5-2-1-3-6-19/h1-3,5-10H,4,11-17H2,(H,24,27)
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n/an/a 0.316n/an/an/an/an/an/a



ACADIA Pharmaceuticals A/S

Curated by ChEMBL


Assay Description
Compound was evaluated for its inverse agonist activity against 5-hydroxytryptamine 2A receptor


Bioorg Med Chem Lett 10: 2435-9 (2001)


BindingDB Entry DOI: 10.7270/Q2V69HTT
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50463896
PNG
(CHEMBL4244412)
Show SMILES Cc1noc(C)c1-c1cc(N)c2ncn(Cc3ccccc3)c2c1
Show InChI InChI=1S/C19H18N4O/c1-12-18(13(2)24-22-12)15-8-16(20)19-17(9-15)23(11-21-19)10-14-6-4-3-5-7-14/h3-9,11H,10,20H2,1-2H3
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Zenith Epigenetics

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His-tagged BRD4 (BD1) (unknown origin) using biotinylated tetra-acetylated histone H4 peptide after 1 hr by alpha-screen ass...


J Med Chem 61: 8202-8211 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00666
BindingDB Entry DOI: 10.7270/Q2F76G6T
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50463896
PNG
(CHEMBL4244412)
Show SMILES Cc1noc(C)c1-c1cc(N)c2ncn(Cc3ccccc3)c2c1
Show InChI InChI=1S/C19H18N4O/c1-12-18(13(2)24-22-12)15-8-16(20)19-17(9-15)23(11-21-19)10-14-6-4-3-5-7-14/h3-9,11H,10,20H2,1-2H3
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Zenith Epigenetics

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His-tagged BRD4 (BD2) (unknown origin) using biotinylated tetra-acetylated histone H4 peptide after 30 mins by alpha-screen ...


J Med Chem 61: 8202-8211 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00666
BindingDB Entry DOI: 10.7270/Q2F76G6T
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50093777
PNG
(CHEMBL81377 | N-Cyclooctyl-N-{1-[3-(4-fluoro-pheno...)
Show SMILES CCC(=O)N(C1CCN(CCCOc2ccc(F)cc2)CC1)C1CCCCCCC1
Show InChI InChI=1S/C25H39FN2O2/c1-2-25(29)28(22-9-6-4-3-5-7-10-22)23-15-18-27(19-16-23)17-8-20-30-24-13-11-21(26)12-14-24/h11-14,22-23H,2-10,15-20H2,1H3
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ACADIA Pharmaceuticals A/S

Curated by ChEMBL


Assay Description
Compound was evaluated for its inverse agonist activity against 5-hydroxytryptamine 2A receptor


Bioorg Med Chem Lett 10: 2435-9 (2001)


BindingDB Entry DOI: 10.7270/Q2V69HTT
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50463897
PNG
(CHEMBL4241205)
Show SMILES Cc1noc(C)c1-c1cc(N)c2ncn(Cc3ccc(cc3)C3CO3)c2c1
Show InChI InChI=1S/C21H20N4O2/c1-12-20(13(2)27-24-12)16-7-17(22)21-18(8-16)25(11-23-21)9-14-3-5-15(6-4-14)19-10-26-19/h3-8,11,19H,9-10,22H2,1-2H3
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Zenith Epigenetics

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His-tagged BRD4 (BD1) (unknown origin) using biotinylated tetra-acetylated histone H4 peptide after 4 hrs by alpha-screen as...


J Med Chem 61: 8202-8211 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00666
BindingDB Entry DOI: 10.7270/Q2F76G6T
More data for this
Ligand-Target Pair
Nucleosome-remodeling factor subunit BPTF


(Homo sapiens (Human))
BDBM50571296
PNG
(CHEMBL4873093)
Show SMILES CN1CCN(CC1)S(=O)(=O)c1ccc(NC2=C(C)C(=O)N3C=C(C=CC3N2)c2cnn(c2)C2CC2)c(F)c1 |c:16,22,24|
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TBA

Assay Description
Inhibition of BPTF in human HEK293 cells by NanoBRET assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2021.128208
BindingDB Entry DOI: 10.7270/Q2M0497K
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50463896
PNG
(CHEMBL4244412)
Show SMILES Cc1noc(C)c1-c1cc(N)c2ncn(Cc3ccccc3)c2c1
Show InChI InChI=1S/C19H18N4O/c1-12-18(13(2)24-22-12)15-8-16(20)19-17(9-15)23(11-21-19)10-14-6-4-3-5-7-14/h3-9,11H,10,20H2,1-2H3
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Zenith Epigenetics

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His-tagged BRD4 (BD1) (unknown origin) using biotinylated tetra-acetylated histone H4 peptide after 5 mins by alpha-screen a...


J Med Chem 61: 8202-8211 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00666
BindingDB Entry DOI: 10.7270/Q2F76G6T
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50463896
PNG
(CHEMBL4244412)
Show SMILES Cc1noc(C)c1-c1cc(N)c2ncn(Cc3ccccc3)c2c1
Show InChI InChI=1S/C19H18N4O/c1-12-18(13(2)24-22-12)15-8-16(20)19-17(9-15)23(11-21-19)10-14-6-4-3-5-7-14/h3-9,11H,10,20H2,1-2H3
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Zenith Epigenetics

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His-tagged BRD4 (BD1) (unknown origin) using biotinylated tetra-acetylated histone H4 peptide after 4 hrs by alpha-screen as...


J Med Chem 61: 8202-8211 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00666
BindingDB Entry DOI: 10.7270/Q2F76G6T
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50365463
PNG
(CHEMBL1232461)
Show SMILES CCNC(=O)C[C@@H]1N=C(c2ccc(Cl)cc2)c2cc(OC)ccc2-n2c(C)nnc12 |r,t:7|
Show InChI InChI=1S/C22H22ClN5O2/c1-4-24-20(29)12-18-22-27-26-13(2)28(22)19-10-9-16(30-3)11-17(19)21(25-18)14-5-7-15(23)8-6-14/h5-11,18H,4,12H2,1-3H3,(H,24,29)/t18-/m0/s1
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Zenith Epigenetics

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His-tagged BRD4 (BD2) (unknown origin) using biotinylated tetra-acetylated histone H4 peptide after 30 mins by alpha-screen ...


J Med Chem 61: 8202-8211 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00666
BindingDB Entry DOI: 10.7270/Q2F76G6T
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50463896
PNG
(CHEMBL4244412)
Show SMILES Cc1noc(C)c1-c1cc(N)c2ncn(Cc3ccccc3)c2c1
Show InChI InChI=1S/C19H18N4O/c1-12-18(13(2)24-22-12)15-8-16(20)19-17(9-15)23(11-21-19)10-14-6-4-3-5-7-14/h3-9,11H,10,20H2,1-2H3
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Zenith Epigenetics

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His-tagged BRD4 (BD1) (unknown origin) using biotinylated tetra-acetylated histone H4 peptide after 30 mins by alpha-screen ...


J Med Chem 61: 8202-8211 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00666
BindingDB Entry DOI: 10.7270/Q2F76G6T
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50463898
PNG
(CHEMBL4241469)
Show SMILES Cc1noc(C)c1-c1ccc(=O)n(Cc2cccc(F)c2)c1
Show InChI InChI=1S/C17H15FN2O2/c1-11-17(12(2)22-19-11)14-6-7-16(21)20(10-14)9-13-4-3-5-15(18)8-13/h3-8,10H,9H2,1-2H3
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Zenith Epigenetics

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His-tagged BRD4 (BD2) (unknown origin) using biotinylated tetra-acetylated histone H4 peptide after 30 mins by alpha-screen ...


J Med Chem 61: 8202-8211 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00666
BindingDB Entry DOI: 10.7270/Q2F76G6T
More data for this
Ligand-Target Pair
Nucleosome-remodeling factor subunit BPTF


(Homo sapiens (Human))
BDBM50571296
PNG
(CHEMBL4873093)
Show SMILES CN1CCN(CC1)S(=O)(=O)c1ccc(NC2=C(C)C(=O)N3C=C(C=CC3N2)c2cnn(c2)C2CC2)c(F)c1 |c:16,22,24|
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TBA

Assay Description
Inhibition of BPTF (unknown origin) by AlphaScreen assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2021.128208
BindingDB Entry DOI: 10.7270/Q2M0497K
More data for this
Ligand-Target Pair
Chromatin remodeling regulator CECR2


(Homo sapiens (Human))
BDBM50514899
PNG
(CHEMBL4461619)
Show SMILES CN(C)CCCOc1ccc(cc1)-c1cc(NCCCn2cccn2)nc(n1)S(C)(=O)=O
Show InChI InChI=1S/C22H30N6O3S/c1-27(2)13-6-16-31-19-9-7-18(8-10-19)20-17-21(26-22(25-20)32(3,29)30)23-11-4-14-28-15-5-12-24-28/h5,7-10,12,15,17H,4,6,11,13-14,16H2,1-3H3,(H,23,25,26)
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n/an/a 30n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of CECR2 (unknown origin) by AlphaScreen assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2021.128208
BindingDB Entry DOI: 10.7270/Q2M0497K
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50365463
PNG
(CHEMBL1232461)
Show SMILES CCNC(=O)C[C@@H]1N=C(c2ccc(Cl)cc2)c2cc(OC)ccc2-n2c(C)nnc12 |r,t:7|
Show InChI InChI=1S/C22H22ClN5O2/c1-4-24-20(29)12-18-22-27-26-13(2)28(22)19-10-9-16(30-3)11-17(19)21(25-18)14-5-7-15(23)8-6-14/h5-11,18H,4,12H2,1-3H3,(H,24,29)/t18-/m0/s1
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Zenith Epigenetics

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His-tagged BRD4 (BD1) (unknown origin) using biotinylated tetra-acetylated histone H4 peptide after 30 mins by alpha-screen ...


J Med Chem 61: 8202-8211 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00666
BindingDB Entry DOI: 10.7270/Q2F76G6T
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50365463
PNG
(CHEMBL1232461)
Show SMILES CCNC(=O)C[C@@H]1N=C(c2ccc(Cl)cc2)c2cc(OC)ccc2-n2c(C)nnc12 |r,t:7|
Show InChI InChI=1S/C22H22ClN5O2/c1-4-24-20(29)12-18-22-27-26-13(2)28(22)19-10-9-16(30-3)11-17(19)21(25-18)14-5-7-15(23)8-6-14/h5-11,18H,4,12H2,1-3H3,(H,24,29)/t18-/m0/s1
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Zenith Epigenetics

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His-tagged BRD4 (BD1/BD2) (unknown origin) using biotinylated tetra-acetylated histone H4 peptide after 30 mins by alpha-scr...


J Med Chem 61: 8202-8211 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00666
BindingDB Entry DOI: 10.7270/Q2F76G6T
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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Zenith Epigenetics

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His-tagged BRD4 (BD2) (unknown origin) using biotinylated tetra-acetylated histone H4 peptide after 30 mins by alpha-screen ...


J Med Chem 61: 8202-8211 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00666
BindingDB Entry DOI: 10.7270/Q2F76G6T
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50463896
PNG
(CHEMBL4244412)
Show SMILES Cc1noc(C)c1-c1cc(N)c2ncn(Cc3ccccc3)c2c1
Show InChI InChI=1S/C19H18N4O/c1-12-18(13(2)24-22-12)15-8-16(20)19-17(9-15)23(11-21-19)10-14-6-4-3-5-7-14/h3-9,11H,10,20H2,1-2H3
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Zenith Epigenetics

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His-tagged BRD4 (BD1/BD2) (unknown origin) using biotinylated tetra-acetylated histone H4 peptide after 30 mins by alpha-scr...


J Med Chem 61: 8202-8211 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00666
BindingDB Entry DOI: 10.7270/Q2F76G6T
More data for this
Ligand-Target Pair
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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Zenith Epigenetics

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His-tagged BRD4 (BD1/BD2) (unknown origin) using biotinylated tetra-acetylated histone H4 peptide after 30 mins by alpha-scr...


J Med Chem 61: 8202-8211 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00666
BindingDB Entry DOI: 10.7270/Q2F76G6T
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50463897
PNG
(CHEMBL4241205)
Show SMILES Cc1noc(C)c1-c1cc(N)c2ncn(Cc3ccc(cc3)C3CO3)c2c1
Show InChI InChI=1S/C21H20N4O2/c1-12-20(13(2)27-24-12)16-7-17(22)21-18(8-16)25(11-23-21)9-14-3-5-15(6-4-14)19-10-26-19/h3-8,11,19H,9-10,22H2,1-2H3
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Zenith Epigenetics

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His-tagged BRD4 (BD1) (unknown origin) using biotinylated tetra-acetylated histone H4 peptide after 30 mins by alpha-screen ...


J Med Chem 61: 8202-8211 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00666
BindingDB Entry DOI: 10.7270/Q2F76G6T
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50463897
PNG
(CHEMBL4241205)
Show SMILES Cc1noc(C)c1-c1cc(N)c2ncn(Cc3ccc(cc3)C3CO3)c2c1
Show InChI InChI=1S/C21H20N4O2/c1-12-20(13(2)27-24-12)16-7-17(22)21-18(8-16)25(11-23-21)9-14-3-5-15(6-4-14)19-10-26-19/h3-8,11,19H,9-10,22H2,1-2H3
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Zenith Epigenetics

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His-tagged BRD4 (BD2) (unknown origin) using biotinylated tetra-acetylated histone H4 peptide after 30 mins by alpha-screen ...


J Med Chem 61: 8202-8211 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00666
BindingDB Entry DOI: 10.7270/Q2F76G6T
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50463897
PNG
(CHEMBL4241205)
Show SMILES Cc1noc(C)c1-c1cc(N)c2ncn(Cc3ccc(cc3)C3CO3)c2c1
Show InChI InChI=1S/C21H20N4O2/c1-12-20(13(2)27-24-12)16-7-17(22)21-18(8-16)25(11-23-21)9-14-3-5-15(6-4-14)19-10-26-19/h3-8,11,19H,9-10,22H2,1-2H3
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Zenith Epigenetics

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His-tagged BRD4 (BD1/BD2) (unknown origin) using biotinylated tetra-acetylated histone H4 peptide after 30 mins by alpha-scr...


J Med Chem 61: 8202-8211 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00666
BindingDB Entry DOI: 10.7270/Q2F76G6T
More data for this
Ligand-Target Pair
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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Zenith Epigenetics

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His-tagged BRD4 (BD1) (unknown origin) using biotinylated tetra-acetylated histone H4 peptide after 30 mins by alpha-screen ...


J Med Chem 61: 8202-8211 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00666
BindingDB Entry DOI: 10.7270/Q2F76G6T
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50463897
PNG
(CHEMBL4241205)
Show SMILES Cc1noc(C)c1-c1cc(N)c2ncn(Cc3ccc(cc3)C3CO3)c2c1
Show InChI InChI=1S/C21H20N4O2/c1-12-20(13(2)27-24-12)16-7-17(22)21-18(8-16)25(11-23-21)9-14-3-5-15(6-4-14)19-10-26-19/h3-8,11,19H,9-10,22H2,1-2H3
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Zenith Epigenetics

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His-tagged BRD4 (BD1) (unknown origin) using biotinylated tetra-acetylated histone H4 peptide after 1 hr by alpha-screen ass...


J Med Chem 61: 8202-8211 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00666
BindingDB Entry DOI: 10.7270/Q2F76G6T
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50451131
PNG
(AC-165043 | CHEMBL80093)
Show SMILES CC(C)NC(=O)N(C1CCN(CCCOc2ccc(F)cc2)CC1)C1CCCCCCC1
Show InChI InChI=1S/C26H42FN3O2/c1-21(2)28-26(31)30(23-9-6-4-3-5-7-10-23)24-15-18-29(19-16-24)17-8-20-32-25-13-11-22(27)12-14-25/h11-14,21,23-24H,3-10,15-20H2,1-2H3,(H,28,31)
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ACADIA Pharmaceuticals A/S

Curated by ChEMBL


Assay Description
Compound was evaluated for its inverse agonist activity against 5-hydroxytryptamine 2A receptor


Bioorg Med Chem Lett 10: 2435-9 (2001)


BindingDB Entry DOI: 10.7270/Q2V69HTT
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50463900
PNG
(CHEMBL4251258)
Show SMILES Cc1noc(C)c1-c1ccc(=O)n(Cc2ccccc2)c1
Show InChI InChI=1S/C17H16N2O2/c1-12-17(13(2)21-18-12)15-8-9-16(20)19(11-15)10-14-6-4-3-5-7-14/h3-9,11H,10H2,1-2H3
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Zenith Epigenetics

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His-tagged BRD4 (BD2) (unknown origin) using biotinylated tetra-acetylated histone H4 peptide after 30 mins by alpha-screen ...


J Med Chem 61: 8202-8211 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00666
BindingDB Entry DOI: 10.7270/Q2F76G6T
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50463895
PNG
(CHEMBL4243172)
Show SMILES Cc1noc(C)c1-c1ccc(=O)n(Cc2ccc(C3CO3)c(F)c2)c1
Show InChI InChI=1S/C19H17FN2O3/c1-11-19(12(2)25-21-11)14-4-6-18(23)22(9-14)8-13-3-5-15(16(20)7-13)17-10-24-17/h3-7,9,17H,8,10H2,1-2H3
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Zenith Epigenetics

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His-tagged BRD4 (BD2) (unknown origin) using biotinylated tetra-acetylated histone H4 peptide after 30 mins by alpha-screen ...


J Med Chem 61: 8202-8211 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00666
BindingDB Entry DOI: 10.7270/Q2F76G6T
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50463899
PNG
(CHEMBL4246969)
Show SMILES Cc1noc(C)c1-c1ccc(=O)n(Cc2ccc(cc2)C2CO2)c1
Show InChI InChI=1S/C19H18N2O3/c1-12-19(13(2)24-20-12)16-7-8-18(22)21(10-16)9-14-3-5-15(6-4-14)17-11-23-17/h3-8,10,17H,9,11H2,1-2H3
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Zenith Epigenetics

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His-tagged BRD4 (BD2) (unknown origin) using biotinylated tetra-acetylated histone H4 peptide after 30 mins by alpha-screen ...


J Med Chem 61: 8202-8211 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00666
BindingDB Entry DOI: 10.7270/Q2F76G6T
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50463895
PNG
(CHEMBL4243172)
Show SMILES Cc1noc(C)c1-c1ccc(=O)n(Cc2ccc(C3CO3)c(F)c2)c1
Show InChI InChI=1S/C19H17FN2O3/c1-11-19(12(2)25-21-11)14-4-6-18(23)22(9-14)8-13-3-5-15(16(20)7-13)17-10-24-17/h3-7,9,17H,8,10H2,1-2H3
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Zenith Epigenetics

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His-tagged BRD4 (BD1) (unknown origin) using biotinylated tetra-acetylated histone H4 peptide after 30 mins by alpha-screen ...


J Med Chem 61: 8202-8211 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00666
BindingDB Entry DOI: 10.7270/Q2F76G6T
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50463900
PNG
(CHEMBL4251258)
Show SMILES Cc1noc(C)c1-c1ccc(=O)n(Cc2ccccc2)c1
Show InChI InChI=1S/C17H16N2O2/c1-12-17(13(2)21-18-12)15-8-9-16(20)19(11-15)10-14-6-4-3-5-7-14/h3-9,11H,10H2,1-2H3
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Zenith Epigenetics

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His-tagged BRD4 (BD1) (unknown origin) using biotinylated tetra-acetylated histone H4 peptide after 30 mins by alpha-screen ...


J Med Chem 61: 8202-8211 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00666
BindingDB Entry DOI: 10.7270/Q2F76G6T
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50463897
PNG
(CHEMBL4241205)
Show SMILES Cc1noc(C)c1-c1cc(N)c2ncn(Cc3ccc(cc3)C3CO3)c2c1
Show InChI InChI=1S/C21H20N4O2/c1-12-20(13(2)27-24-12)16-7-17(22)21-18(8-16)25(11-23-21)9-14-3-5-15(6-4-14)19-10-26-19/h3-8,11,19H,9-10,22H2,1-2H3
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Zenith Epigenetics

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His-tagged BRD4 (BD1) (unknown origin) using biotinylated tetra-acetylated histone H4 peptide after 5 mins by alpha-screen a...


J Med Chem 61: 8202-8211 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00666
BindingDB Entry DOI: 10.7270/Q2F76G6T
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50463900
PNG
(CHEMBL4251258)
Show SMILES Cc1noc(C)c1-c1ccc(=O)n(Cc2ccccc2)c1
Show InChI InChI=1S/C17H16N2O2/c1-12-17(13(2)21-18-12)15-8-9-16(20)19(11-15)10-14-6-4-3-5-7-14/h3-9,11H,10H2,1-2H3
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Zenith Epigenetics

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His-tagged BRD4 (BD1/BD2) (unknown origin) using biotinylated tetra-acetylated histone H4 peptide after 30 mins by alpha-scr...


J Med Chem 61: 8202-8211 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00666
BindingDB Entry DOI: 10.7270/Q2F76G6T
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Nucleosome-remodeling factor subunit BPTF


(Homo sapiens (Human))
BDBM50514899
PNG
(CHEMBL4461619)
Show SMILES CN(C)CCCOc1ccc(cc1)-c1cc(NCCCn2cccn2)nc(n1)S(C)(=O)=O
Show InChI InChI=1S/C22H30N6O3S/c1-27(2)13-6-16-31-19-9-7-18(8-10-19)20-17-21(26-22(25-20)32(3,29)30)23-11-4-14-28-15-5-12-24-28/h5,7-10,12,15,17H,4,6,11,13-14,16H2,1-3H3,(H,23,25,26)
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TBA

Assay Description
Inhibition of BPTF (unknown origin) by AlphaScreen assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2021.128208
BindingDB Entry DOI: 10.7270/Q2M0497K
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50463899
PNG
(CHEMBL4246969)
Show SMILES Cc1noc(C)c1-c1ccc(=O)n(Cc2ccc(cc2)C2CO2)c1
Show InChI InChI=1S/C19H18N2O3/c1-12-19(13(2)24-20-12)16-7-8-18(22)21(10-16)9-14-3-5-15(6-4-14)17-11-23-17/h3-8,10,17H,9,11H2,1-2H3
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Zenith Epigenetics

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His-tagged BRD4 (BD1/BD2) (unknown origin) using biotinylated tetra-acetylated histone H4 peptide after 30 mins by alpha-scr...


J Med Chem 61: 8202-8211 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00666
BindingDB Entry DOI: 10.7270/Q2F76G6T
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50463899
PNG
(CHEMBL4246969)
Show SMILES Cc1noc(C)c1-c1ccc(=O)n(Cc2ccc(cc2)C2CO2)c1
Show InChI InChI=1S/C19H18N2O3/c1-12-19(13(2)24-20-12)16-7-8-18(22)21(10-16)9-14-3-5-15(6-4-14)17-11-23-17/h3-8,10,17H,9,11H2,1-2H3
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Zenith Epigenetics

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His-tagged BRD4 (BD1) (unknown origin) using biotinylated tetra-acetylated histone H4 peptide after 30 mins by alpha-screen ...


J Med Chem 61: 8202-8211 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00666
BindingDB Entry DOI: 10.7270/Q2F76G6T
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50463898
PNG
(CHEMBL4241469)
Show SMILES Cc1noc(C)c1-c1ccc(=O)n(Cc2cccc(F)c2)c1
Show InChI InChI=1S/C17H15FN2O2/c1-11-17(12(2)22-19-11)14-6-7-16(21)20(10-14)9-13-4-3-5-15(18)8-13/h3-8,10H,9H2,1-2H3
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n/an/a 1.07E+3n/an/an/an/an/an/a



Zenith Epigenetics

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His-tagged BRD4 (BD1) (unknown origin) using biotinylated tetra-acetylated histone H4 peptide after 30 mins by alpha-screen ...


J Med Chem 61: 8202-8211 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00666
BindingDB Entry DOI: 10.7270/Q2F76G6T
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50463898
PNG
(CHEMBL4241469)
Show SMILES Cc1noc(C)c1-c1ccc(=O)n(Cc2cccc(F)c2)c1
Show InChI InChI=1S/C17H15FN2O2/c1-11-17(12(2)22-19-11)14-6-7-16(21)20(10-14)9-13-4-3-5-15(18)8-13/h3-8,10H,9H2,1-2H3
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Zenith Epigenetics

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His-tagged BRD4 (BD1/BD2) (unknown origin) using biotinylated tetra-acetylated histone H4 peptide after 30 mins by alpha-scr...


J Med Chem 61: 8202-8211 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00666
BindingDB Entry DOI: 10.7270/Q2F76G6T
More data for this
Ligand-Target Pair
Bromodomain-containing protein 2


(Homo sapiens (Human))
BDBM50094910
PNG
(CHEMBL3589475)
Show SMILES COc1ccc(cc1)C(=C/c1ccncc1)\C(=O)N1CC(=O)Nc2ccccc12
Show InChI InChI=1S/C23H19N3O3/c1-29-18-8-6-17(7-9-18)19(14-16-10-12-24-13-11-16)23(28)26-15-22(27)25-20-4-2-3-5-21(20)26/h2-14H,15H2,1H3,(H,25,27)/b19-14+
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n/an/a 5.00E+3n/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Inhibition of HTRF binding to N-terminal His-tagged BRD2(2) (unknown origin) using biotinylated tetra-acetylated histone H4 peptide and Cryptate-labe...


Bioorg Med Chem Lett 25: 2818-23 (2015)


Article DOI: 10.1016/j.bmcl.2015.04.107
BindingDB Entry DOI: 10.7270/Q25M67FC
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50094913
PNG
(CHEMBL3589482)
Show SMILES Oc1cc(cc(c1)-c1ccccc1)C(=O)N1CC(=O)Nc2ccccc12
Show InChI InChI=1S/C21H16N2O3/c24-17-11-15(14-6-2-1-3-7-14)10-16(12-17)21(26)23-13-20(25)22-18-8-4-5-9-19(18)23/h1-12,24H,13H2,(H,22,25)
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AMRI

Curated by ChEMBL


Assay Description
Inhibition of HTRF binding to N-terminal His-tagged BRD4(1) (unknown origin) using biotinylated tetra-acetylated histone H4 peptide and Cryptate-labe...


Bioorg Med Chem Lett 25: 2818-23 (2015)


Article DOI: 10.1016/j.bmcl.2015.04.107
BindingDB Entry DOI: 10.7270/Q25M67FC
More data for this
Ligand-Target Pair
Bromodomain-containing protein 2


(Homo sapiens (Human))
BDBM50094887
PNG
(CHEMBL3589478)
Show SMILES CC(=O)Nc1cccc(\C=C(\C(=O)N2CC(=O)Nc3ccccc23)c2ccccc2)c1
Show InChI InChI=1S/C25H21N3O3/c1-17(29)26-20-11-7-8-18(14-20)15-21(19-9-3-2-4-10-19)25(31)28-16-24(30)27-22-12-5-6-13-23(22)28/h2-15H,16H2,1H3,(H,26,29)(H,27,30)/b21-15+
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n/an/a 1.00E+4n/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Inhibition of HTRF binding to N-terminal His-tagged BRD2(2) (unknown origin) using biotinylated tetra-acetylated histone H4 peptide and Cryptate-labe...


Bioorg Med Chem Lett 25: 2818-23 (2015)


Article DOI: 10.1016/j.bmcl.2015.04.107
BindingDB Entry DOI: 10.7270/Q25M67FC
More data for this
Ligand-Target Pair
Bromodomain-containing protein 2


(Homo sapiens (Human))
BDBM50094896
PNG
(CHEMBL3589487)
Show SMILES O=C(N1CC(=O)Nc2ccccc12)c1cncc(c1)-c1cccc(c1)C#N
Show InChI InChI=1S/C14H10N2O2/c15-7-1-3-9-11(5-7)14(18)10-4-2-8(16)6-12(10)13(9)17/h1-6H,15-16H2
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n/an/a 1.20E+4n/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Inhibition of HTRF binding to N-terminal His-tagged BRD2(2) (unknown origin) using biotinylated tetra-acetylated histone H4 peptide and Cryptate-labe...


Bioorg Med Chem Lett 25: 2818-23 (2015)


Article DOI: 10.1016/j.bmcl.2015.04.107
BindingDB Entry DOI: 10.7270/Q25M67FC
More data for this
Ligand-Target Pair
Bromodomain-containing protein 2


(Homo sapiens (Human))
BDBM50094888
PNG
(CHEMBL3589479)
Show SMILES COc1ccc(\C=C(\C(=O)Nc2c(C)noc2C)c2ccc(OC)cc2)cc1
Show InChI InChI=1S/C22H22N2O4/c1-14-21(15(2)28-24-14)23-22(25)20(17-7-11-19(27-4)12-8-17)13-16-5-9-18(26-3)10-6-16/h5-13H,1-4H3,(H,23,25)/b20-13+
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n/an/a 1.20E+4n/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Inhibition of HTRF binding to N-terminal His-tagged BRD2(2) (unknown origin) using biotinylated tetra-acetylated histone H4 peptide and Cryptate-labe...


Bioorg Med Chem Lett 25: 2818-23 (2015)


Article DOI: 10.1016/j.bmcl.2015.04.107
BindingDB Entry DOI: 10.7270/Q25M67FC
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50094897
PNG
(CHEMBL3589469)
Show SMILES COc1ccc(\C=C(\C(=O)N2CC(=O)Nc3ccccc23)c2cccs2)cc1
Show InChI InChI=1S/C14H12N4O2/c15-5-1-2-6(16)10-9(5)13(19)11-7(17)3-4-8(18)12(11)14(10)20/h1-4H,15-18H2
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n/an/a 1.30E+4n/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Inhibition of HTRF binding to N-terminal His-tagged BRD4(1) (unknown origin) using biotinylated tetra-acetylated histone H4 peptide and Cryptate-labe...


Bioorg Med Chem Lett 25: 2818-23 (2015)


Article DOI: 10.1016/j.bmcl.2015.04.107
BindingDB Entry DOI: 10.7270/Q25M67FC
More data for this
Ligand-Target Pair
Bromodomain-containing protein 2


(Homo sapiens (Human))
BDBM50094908
PNG
(CHEMBL3589473)
Show SMILES COc1ccc(\C=C(\C(=O)N2CC(=O)Nc3ccccc23)c2ccc(OC)cc2)cc1
Show InChI InChI=1S/C25H22N2O4/c1-30-19-11-7-17(8-12-19)15-21(18-9-13-20(31-2)14-10-18)25(29)27-16-24(28)26-22-5-3-4-6-23(22)27/h3-15H,16H2,1-2H3,(H,26,28)/b21-15+
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n/an/a 1.30E+4n/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Inhibition of HTRF binding to N-terminal His-tagged BRD2(2) (unknown origin) using biotinylated tetra-acetylated histone H4 peptide and Cryptate-labe...


Bioorg Med Chem Lett 25: 2818-23 (2015)


Article DOI: 10.1016/j.bmcl.2015.04.107
BindingDB Entry DOI: 10.7270/Q25M67FC
More data for this
Ligand-Target Pair
Bromodomain-containing protein 2


(Homo sapiens (Human))
BDBM50094899
PNG
(CHEMBL3589471)
Show SMILES COc1ccc(\C=C(\C(=O)N2CC(=O)Nc3cc(OC)ccc23)c2ccc(OC)cc2)cc1
Show InChI InChI=1S/C14H11N3O2/c15-7-3-1-2-6-10(7)14(19)12-9(17)5-4-8(16)11(12)13(6)18/h1-5H,15-17H2
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n/an/a 1.30E+4n/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Inhibition of HTRF binding to N-terminal His-tagged BRD2(2) (unknown origin) using biotinylated tetra-acetylated histone H4 peptide and Cryptate-labe...


Bioorg Med Chem Lett 25: 2818-23 (2015)


Article DOI: 10.1016/j.bmcl.2015.04.107
BindingDB Entry DOI: 10.7270/Q25M67FC
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50094899
PNG
(CHEMBL3589471)
Show SMILES COc1ccc(\C=C(\C(=O)N2CC(=O)Nc3cc(OC)ccc23)c2ccc(OC)cc2)cc1
Show InChI InChI=1S/C14H11N3O2/c15-7-3-1-2-6-10(7)14(19)12-9(17)5-4-8(16)11(12)13(6)18/h1-5H,15-17H2
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n/an/a 1.30E+4n/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Inhibition of HTRF binding to N-terminal His-tagged BRD4(1) (unknown origin) using biotinylated tetra-acetylated histone H4 peptide and Cryptate-labe...


Bioorg Med Chem Lett 25: 2818-23 (2015)


Article DOI: 10.1016/j.bmcl.2015.04.107
BindingDB Entry DOI: 10.7270/Q25M67FC
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50094898
PNG
(CHEMBL3589470)
Show SMILES COc1ccc(\C=C(\C(=O)N2CC(=O)Nc3ccccc23)c2ccc(NC(C)=O)cc2)cc1
Show InChI InChI=1S/C14H10N2O4/c15-5-1-3-7(17)11-9(5)13(19)10-6(16)2-4-8(18)12(10)14(11)20/h1-4,17-18H,15-16H2
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n/an/a 1.30E+4n/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Inhibition of HTRF binding to N-terminal His-tagged BRD4(1) (unknown origin) using biotinylated tetra-acetylated histone H4 peptide and Cryptate-labe...


Bioorg Med Chem Lett 25: 2818-23 (2015)


Article DOI: 10.1016/j.bmcl.2015.04.107
BindingDB Entry DOI: 10.7270/Q25M67FC
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50094914
PNG
(CHEMBL3589483)
Show SMILES COc1cc(cc(c1)-c1ccccc1)C(=O)N1CC(=O)Nc2ccccc12
Show InChI InChI=1S/C22H18N2O3/c1-27-18-12-16(15-7-3-2-4-8-15)11-17(13-18)22(26)24-14-21(25)23-19-9-5-6-10-20(19)24/h2-13H,14H2,1H3,(H,23,25)
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n/an/a 1.30E+4n/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Inhibition of HTRF binding to N-terminal His-tagged BRD4(1) (unknown origin) using biotinylated tetra-acetylated histone H4 peptide and Cryptate-labe...


Bioorg Med Chem Lett 25: 2818-23 (2015)


Article DOI: 10.1016/j.bmcl.2015.04.107
BindingDB Entry DOI: 10.7270/Q25M67FC
More data for this
Ligand-Target Pair
Nucleosome-remodeling factor subunit BPTF


(Homo sapiens (Human))
BDBM50571298
PNG
(CHEMBL4846726)
Show SMILES CCOc1c(I)cc(cc1OC)C(N)=O
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n/an/a 1.32E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of N-terminal GST-tagged human recombinant BPTF expressed in Escherichia coli BL21-Codonplus (DE3)-RIPL incubated for 30 mins by HTRF assa...


Citation and Details

Article DOI: 10.1016/j.bmcl.2021.128208
BindingDB Entry DOI: 10.7270/Q2M0497K
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50094900
PNG
(CHEMBL3589472)
Show SMILES COc1ccc(\C=C(\C(=O)N2CC(=O)Nc3ccccc23)c2ccc(C)c(C)c2)cc1
Show InChI InChI=1S/C14H9NO2/c15-8-5-6-11-12(7-8)14(17)10-4-2-1-3-9(10)13(11)16/h1-7H,15H2
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n/an/a 1.40E+4n/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Inhibition of HTRF binding to N-terminal His-tagged BRD4(1) (unknown origin) using biotinylated tetra-acetylated histone H4 peptide and Cryptate-labe...


Bioorg Med Chem Lett 25: 2818-23 (2015)


Article DOI: 10.1016/j.bmcl.2015.04.107
BindingDB Entry DOI: 10.7270/Q25M67FC
More data for this
Ligand-Target Pair
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