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Compile Data Set for Download or QSAR

Found 56 hits Enz. Inhib. hit(s) with all data for entry = 50001811   
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-containing protein 4


(Homo sapiens (Human))
BDBM50370182
PNG
(CHEMBL4176038 | US11117865, Compound ZL0420)
Show SMILES Cc1cc(\N=N\c2ccc3NC(=O)CCc3c2)c(N)cc1O
Show InChI InChI=1S/C16H16N4O2/c1-9-6-14(12(17)8-15(9)21)20-19-11-3-4-13-10(7-11)2-5-16(22)18-13/h3-4,6-8,21H,2,5,17H2,1H3,(H,18,22)/b20-19+
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n/an/a 27n/an/an/an/an/an/a



University of Texas Medical Branch

Curated by ChEMBL


Assay Description
Inhibition of BRD4 BD1 (unknown origin) after 1 hr by TR-FRET assay


Eur J Med Chem 151: 450-461 (2018)


Article DOI: 10.1016/j.ejmech.2018.04.006
BindingDB Entry DOI: 10.7270/Q2X069KM
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50370182
PNG
(CHEMBL4176038 | US11117865, Compound ZL0420)
Show SMILES Cc1cc(\N=N\c2ccc3NC(=O)CCc3c2)c(N)cc1O
Show InChI InChI=1S/C16H16N4O2/c1-9-6-14(12(17)8-15(9)21)20-19-11-3-4-13-10(7-11)2-5-16(22)18-13/h3-4,6-8,21H,2,5,17H2,1H3,(H,18,22)/b20-19+
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n/an/a 32n/an/an/an/an/an/a



University of Texas Medical Branch

Curated by ChEMBL


Assay Description
Inhibition of BRD4 BD2 (unknown origin) after 1 hr by TR-FRET assay


Eur J Med Chem 151: 450-461 (2018)


Article DOI: 10.1016/j.ejmech.2018.04.006
BindingDB Entry DOI: 10.7270/Q2X069KM
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50370181
PNG
(CHEMBL4159382 | US11117865, Compound ZL0454)
Show SMILES Cc1cc(\N=N\c2ccc(cc2)S(=O)(=O)NC2CCCC2)c(N)cc1O
Show InChI InChI=1S/C18H22N4O3S/c1-12-10-17(16(19)11-18(12)23)21-20-13-6-8-15(9-7-13)26(24,25)22-14-4-2-3-5-14/h6-11,14,22-23H,2-5,19H2,1H3/b21-20+
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n/an/a 32n/an/an/an/an/an/a



University of Texas Medical Branch

Curated by ChEMBL


Assay Description
Inhibition of BRD4 BD2 (unknown origin) after 1 hr by TR-FRET assay


Eur J Med Chem 151: 450-461 (2018)


Article DOI: 10.1016/j.ejmech.2018.04.006
BindingDB Entry DOI: 10.7270/Q2X069KM
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50370181
PNG
(CHEMBL4159382 | US11117865, Compound ZL0454)
Show SMILES Cc1cc(\N=N\c2ccc(cc2)S(=O)(=O)NC2CCCC2)c(N)cc1O
Show InChI InChI=1S/C18H22N4O3S/c1-12-10-17(16(19)11-18(12)23)21-20-13-6-8-15(9-7-13)26(24,25)22-14-4-2-3-5-14/h6-11,14,22-23H,2-5,19H2,1H3/b21-20+
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n/an/a 49n/an/an/an/an/an/a



University of Texas Medical Branch

Curated by ChEMBL


Assay Description
Inhibition of BRD4 BD1 (unknown origin) after 1 hr by TR-FRET assay


Eur J Med Chem 151: 450-461 (2018)


Article DOI: 10.1016/j.ejmech.2018.04.006
BindingDB Entry DOI: 10.7270/Q2X069KM
More data for this
Ligand-Target Pair
Bromodomain-containing protein 2


(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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n/an/a 52n/an/an/an/an/an/a



University of Texas Medical Branch

Curated by ChEMBL


Assay Description
Inhibition of BRD2 BD2 (unknown origin) after 1 hr by TR-FRET assay


Eur J Med Chem 151: 450-461 (2018)


Article DOI: 10.1016/j.ejmech.2018.04.006
BindingDB Entry DOI: 10.7270/Q2X069KM
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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n/an/a 62n/an/an/an/an/an/a



University of Texas Medical Branch

Curated by ChEMBL


Assay Description
Inhibition of BRD4 BD2 (unknown origin) after 1 hr by TR-FRET assay


Eur J Med Chem 151: 450-461 (2018)


Article DOI: 10.1016/j.ejmech.2018.04.006
BindingDB Entry DOI: 10.7270/Q2X069KM
More data for this
Ligand-Target Pair
Bromodomain-containing protein 3


(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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n/an/a 69n/an/an/an/an/an/a



University of Texas Medical Branch

Curated by ChEMBL


Assay Description
Inhibition of BRD3 BD2 (unknown origin) after 1 hr by TR-FRET assay


Eur J Med Chem 151: 450-461 (2018)


Article DOI: 10.1016/j.ejmech.2018.04.006
BindingDB Entry DOI: 10.7270/Q2X069KM
More data for this
Ligand-Target Pair
Bromodomain-containing protein 2


(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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n/an/a 78n/an/an/an/an/an/a



University of Texas Medical Branch

Curated by ChEMBL


Assay Description
Inhibition of BRD2 BD1 (unknown origin) after 1 hr by TR-FRET assay


Eur J Med Chem 151: 450-461 (2018)


Article DOI: 10.1016/j.ejmech.2018.04.006
BindingDB Entry DOI: 10.7270/Q2X069KM
More data for this
Ligand-Target Pair
Bromodomain-containing protein 3


(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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n/an/a 81n/an/an/an/an/an/a



University of Texas Medical Branch

Curated by ChEMBL


Assay Description
Inhibition of BRD3 BD1 (unknown origin) after 1 hr by TR-FRET assay


Eur J Med Chem 151: 450-461 (2018)


Article DOI: 10.1016/j.ejmech.2018.04.006
BindingDB Entry DOI: 10.7270/Q2X069KM
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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n/an/a 92n/an/an/an/an/an/a



University of Texas Medical Branch

Curated by ChEMBL


Assay Description
Inhibition of BRD4 BD1 (unknown origin) after 1 hr by TR-FRET assay


Eur J Med Chem 151: 450-461 (2018)


Article DOI: 10.1016/j.ejmech.2018.04.006
BindingDB Entry DOI: 10.7270/Q2X069KM
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50103503
PNG
(CHEMBL2393130 | US11117865, Compound RVX-208)
Show SMILES COc1cc(OC)c2c(c1)nc([nH]c2=O)-c1cc(C)c(OCCO)c(C)c1
Show InChI InChI=1S/C20H22N2O5/c1-11-7-13(8-12(2)18(11)27-6-5-23)19-21-15-9-14(25-3)10-16(26-4)17(15)20(24)22-19/h7-10,23H,5-6H2,1-4H3,(H,21,22,24)
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n/an/a 135n/an/an/an/an/an/a



University of Texas Medical Branch

Curated by ChEMBL


Assay Description
Inhibition of BRD4 BD2 (unknown origin) after 1 hr by TR-FRET assay


Eur J Med Chem 151: 450-461 (2018)


Article DOI: 10.1016/j.ejmech.2018.04.006
BindingDB Entry DOI: 10.7270/Q2X069KM
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Bromodomain testis-specific protein


(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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n/an/a 183n/an/an/an/an/an/a



University of Texas Medical Branch

Curated by ChEMBL


Assay Description
Inhibition of BRDT BD1 (unknown origin) after 1 hr by TR-FRET assay


Eur J Med Chem 151: 450-461 (2018)


Article DOI: 10.1016/j.ejmech.2018.04.006
BindingDB Entry DOI: 10.7270/Q2X069KM
More data for this
Ligand-Target Pair
Bromodomain-containing protein 3


(Homo sapiens (Human))
BDBM50103503
PNG
(CHEMBL2393130 | US11117865, Compound RVX-208)
Show SMILES COc1cc(OC)c2c(c1)nc([nH]c2=O)-c1cc(C)c(OCCO)c(C)c1
Show InChI InChI=1S/C20H22N2O5/c1-11-7-13(8-12(2)18(11)27-6-5-23)19-21-15-9-14(25-3)10-16(26-4)17(15)20(24)22-19/h7-10,23H,5-6H2,1-4H3,(H,21,22,24)
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n/an/a 203n/an/an/an/an/an/a



University of Texas Medical Branch

Curated by ChEMBL


Assay Description
Inhibition of BRD3 BD2 (unknown origin) after 1 hr by TR-FRET assay


Eur J Med Chem 151: 450-461 (2018)


Article DOI: 10.1016/j.ejmech.2018.04.006
BindingDB Entry DOI: 10.7270/Q2X069KM
More data for this
Ligand-Target Pair
Bromodomain testis-specific protein


(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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n/an/a 217n/an/an/an/an/an/a



University of Texas Medical Branch

Curated by ChEMBL


Assay Description
Inhibition of BRDT BD2 (unknown origin) after 1 hr by TR-FRET assay


Eur J Med Chem 151: 450-461 (2018)


Article DOI: 10.1016/j.ejmech.2018.04.006
BindingDB Entry DOI: 10.7270/Q2X069KM
More data for this
Ligand-Target Pair
Bromodomain-containing protein 2


(Homo sapiens (Human))
BDBM50103503
PNG
(CHEMBL2393130 | US11117865, Compound RVX-208)
Show SMILES COc1cc(OC)c2c(c1)nc([nH]c2=O)-c1cc(C)c(OCCO)c(C)c1
Show InChI InChI=1S/C20H22N2O5/c1-11-7-13(8-12(2)18(11)27-6-5-23)19-21-15-9-14(25-3)10-16(26-4)17(15)20(24)22-19/h7-10,23H,5-6H2,1-4H3,(H,21,22,24)
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n/an/a 251n/an/an/an/an/an/a



University of Texas Medical Branch

Curated by ChEMBL


Assay Description
Inhibition of BRD2 BD2 (unknown origin) after 1 hr by TR-FRET assay


Eur J Med Chem 151: 450-461 (2018)


Article DOI: 10.1016/j.ejmech.2018.04.006
BindingDB Entry DOI: 10.7270/Q2X069KM
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50370182
PNG
(CHEMBL4176038 | US11117865, Compound ZL0420)
Show SMILES Cc1cc(\N=N\c2ccc3NC(=O)CCc3c2)c(N)cc1O
Show InChI InChI=1S/C16H16N4O2/c1-9-6-14(12(17)8-15(9)21)20-19-11-3-4-13-10(7-11)2-5-16(22)18-13/h3-4,6-8,21H,2,5,17H2,1H3,(H,18,22)/b20-19+
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n/an/a 490n/an/an/an/an/an/a



University of Texas Medical Branch

Curated by ChEMBL


Assay Description
Inhibition of BRD4 in human SAE cells assessed as reduction in TLR3 agonist poly(I:C) -induced ISG54 RNA expression preincubated for 24 hrs followed ...


Eur J Med Chem 151: 450-461 (2018)


Article DOI: 10.1016/j.ejmech.2018.04.006
BindingDB Entry DOI: 10.7270/Q2X069KM
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50370182
PNG
(CHEMBL4176038 | US11117865, Compound ZL0420)
Show SMILES Cc1cc(\N=N\c2ccc3NC(=O)CCc3c2)c(N)cc1O
Show InChI InChI=1S/C16H16N4O2/c1-9-6-14(12(17)8-15(9)21)20-19-11-3-4-13-10(7-11)2-5-16(22)18-13/h3-4,6-8,21H,2,5,17H2,1H3,(H,18,22)/b20-19+
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n/an/a 510n/an/an/an/an/an/a



University of Texas Medical Branch

Curated by ChEMBL


Assay Description
Inhibition of BRD4 in human SAE cells assessed as reduction in TLR3 agonist poly(I:C) -induced ISG56 RNA expression preincubated for 24 hrs followed ...


Eur J Med Chem 151: 450-461 (2018)


Article DOI: 10.1016/j.ejmech.2018.04.006
BindingDB Entry DOI: 10.7270/Q2X069KM
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50370182
PNG
(CHEMBL4176038 | US11117865, Compound ZL0420)
Show SMILES Cc1cc(\N=N\c2ccc3NC(=O)CCc3c2)c(N)cc1O
Show InChI InChI=1S/C16H16N4O2/c1-9-6-14(12(17)8-15(9)21)20-19-11-3-4-13-10(7-11)2-5-16(22)18-13/h3-4,6-8,21H,2,5,17H2,1H3,(H,18,22)/b20-19+
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n/an/a 530n/an/an/an/an/an/a



University of Texas Medical Branch

Curated by ChEMBL


Assay Description
Inhibition of BRD4 in human SAE cells assessed as reduction in TLR3 agonist poly(I:C) -induced IL-8 RNA expression preincubated for 24 hrs followed b...


Eur J Med Chem 151: 450-461 (2018)


Article DOI: 10.1016/j.ejmech.2018.04.006
BindingDB Entry DOI: 10.7270/Q2X069KM
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50370182
PNG
(CHEMBL4176038 | US11117865, Compound ZL0420)
Show SMILES Cc1cc(\N=N\c2ccc3NC(=O)CCc3c2)c(N)cc1O
Show InChI InChI=1S/C16H16N4O2/c1-9-6-14(12(17)8-15(9)21)20-19-11-3-4-13-10(7-11)2-5-16(22)18-13/h3-4,6-8,21H,2,5,17H2,1H3,(H,18,22)/b20-19+
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n/an/a 580n/an/an/an/an/an/a



University of Texas Medical Branch

Curated by ChEMBL


Assay Description
Inhibition of BRD4 in human SAE cells assessed as reduction in TLR3 agonist poly(I:C) -induced grobeta RNA expression preincubated for 24 hrs followe...


Eur J Med Chem 151: 450-461 (2018)


Article DOI: 10.1016/j.ejmech.2018.04.006
BindingDB Entry DOI: 10.7270/Q2X069KM
More data for this
Ligand-Target Pair
Bromodomain testis-specific protein


(Homo sapiens (Human))
BDBM50103503
PNG
(CHEMBL2393130 | US11117865, Compound RVX-208)
Show SMILES COc1cc(OC)c2c(c1)nc([nH]c2=O)-c1cc(C)c(OCCO)c(C)c1
Show InChI InChI=1S/C20H22N2O5/c1-11-7-13(8-12(2)18(11)27-6-5-23)19-21-15-9-14(25-3)10-16(26-4)17(15)20(24)22-19/h7-10,23H,5-6H2,1-4H3,(H,21,22,24)
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n/an/a 708n/an/an/an/an/an/a



University of Texas Medical Branch

Curated by ChEMBL


Assay Description
Inhibition of BRDT BD2 (unknown origin) after 1 hr by TR-FRET assay


Eur J Med Chem 151: 450-461 (2018)


Article DOI: 10.1016/j.ejmech.2018.04.006
BindingDB Entry DOI: 10.7270/Q2X069KM
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50370181
PNG
(CHEMBL4159382 | US11117865, Compound ZL0454)
Show SMILES Cc1cc(\N=N\c2ccc(cc2)S(=O)(=O)NC2CCCC2)c(N)cc1O
Show InChI InChI=1S/C18H22N4O3S/c1-12-10-17(16(19)11-18(12)23)21-20-13-6-8-15(9-7-13)26(24,25)22-14-4-2-3-5-14/h6-11,14,22-23H,2-5,19H2,1H3/b21-20+
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n/an/a 730n/an/an/an/an/an/a



University of Texas Medical Branch

Curated by ChEMBL


Assay Description
Inhibition of BRD4 in human SAE cells assessed as reduction in TLR3 agonist poly(I:C) -induced IL-8 RNA expression preincubated for 24 hrs followed b...


Eur J Med Chem 151: 450-461 (2018)


Article DOI: 10.1016/j.ejmech.2018.04.006
BindingDB Entry DOI: 10.7270/Q2X069KM
More data for this
Ligand-Target Pair
Bromodomain-containing protein 2


(Homo sapiens (Human))
BDBM50370181
PNG
(CHEMBL4159382 | US11117865, Compound ZL0454)
Show SMILES Cc1cc(\N=N\c2ccc(cc2)S(=O)(=O)NC2CCCC2)c(N)cc1O
Show InChI InChI=1S/C18H22N4O3S/c1-12-10-17(16(19)11-18(12)23)21-20-13-6-8-15(9-7-13)26(24,25)22-14-4-2-3-5-14/h6-11,14,22-23H,2-5,19H2,1H3/b21-20+
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n/an/a 772n/an/an/an/an/an/a



University of Texas Medical Branch

Curated by ChEMBL


Assay Description
Inhibition of BRD2 BD1 (unknown origin) after 1 hr by TR-FRET assay


Eur J Med Chem 151: 450-461 (2018)


Article DOI: 10.1016/j.ejmech.2018.04.006
BindingDB Entry DOI: 10.7270/Q2X069KM
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50370181
PNG
(CHEMBL4159382 | US11117865, Compound ZL0454)
Show SMILES Cc1cc(\N=N\c2ccc(cc2)S(=O)(=O)NC2CCCC2)c(N)cc1O
Show InChI InChI=1S/C18H22N4O3S/c1-12-10-17(16(19)11-18(12)23)21-20-13-6-8-15(9-7-13)26(24,25)22-14-4-2-3-5-14/h6-11,14,22-23H,2-5,19H2,1H3/b21-20+
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n/an/a 790n/an/an/an/an/an/a



University of Texas Medical Branch

Curated by ChEMBL


Assay Description
Inhibition of BRD4 in human SAE cells assessed as reduction in TLR3 agonist poly(I:C) -induced grobeta RNA expression preincubated for 24 hrs followe...


Eur J Med Chem 151: 450-461 (2018)


Article DOI: 10.1016/j.ejmech.2018.04.006
BindingDB Entry DOI: 10.7270/Q2X069KM
More data for this
Ligand-Target Pair
Bromodomain-containing protein 2


(Homo sapiens (Human))
BDBM50370182
PNG
(CHEMBL4176038 | US11117865, Compound ZL0420)
Show SMILES Cc1cc(\N=N\c2ccc3NC(=O)CCc3c2)c(N)cc1O
Show InChI InChI=1S/C16H16N4O2/c1-9-6-14(12(17)8-15(9)21)20-19-11-3-4-13-10(7-11)2-5-16(22)18-13/h3-4,6-8,21H,2,5,17H2,1H3,(H,18,22)/b20-19+
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n/an/a 803n/an/an/an/an/an/a



University of Texas Medical Branch

Curated by ChEMBL


Assay Description
Inhibition of BRD2 BD1 (unknown origin) after 1 hr by TR-FRET assay


Eur J Med Chem 151: 450-461 (2018)


Article DOI: 10.1016/j.ejmech.2018.04.006
BindingDB Entry DOI: 10.7270/Q2X069KM
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50370181
PNG
(CHEMBL4159382 | US11117865, Compound ZL0454)
Show SMILES Cc1cc(\N=N\c2ccc(cc2)S(=O)(=O)NC2CCCC2)c(N)cc1O
Show InChI InChI=1S/C18H22N4O3S/c1-12-10-17(16(19)11-18(12)23)21-20-13-6-8-15(9-7-13)26(24,25)22-14-4-2-3-5-14/h6-11,14,22-23H,2-5,19H2,1H3/b21-20+
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n/an/a 810n/an/an/an/an/an/a



University of Texas Medical Branch

Curated by ChEMBL


Assay Description
Inhibition of BRD4 in human SAE cells assessed as reduction in TLR3 agonist poly(I:C) -induced ISG54 RNA expression preincubated for 24 hrs followed ...


Eur J Med Chem 151: 450-461 (2018)


Article DOI: 10.1016/j.ejmech.2018.04.006
BindingDB Entry DOI: 10.7270/Q2X069KM
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50370181
PNG
(CHEMBL4159382 | US11117865, Compound ZL0454)
Show SMILES Cc1cc(\N=N\c2ccc(cc2)S(=O)(=O)NC2CCCC2)c(N)cc1O
Show InChI InChI=1S/C18H22N4O3S/c1-12-10-17(16(19)11-18(12)23)21-20-13-6-8-15(9-7-13)26(24,25)22-14-4-2-3-5-14/h6-11,14,22-23H,2-5,19H2,1H3/b21-20+
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n/an/a 860n/an/an/an/an/an/a



University of Texas Medical Branch

Curated by ChEMBL


Assay Description
Inhibition of BRD4 in human SAE cells assessed as reduction in TLR3 agonist poly(I:C) -induced ISG56 RNA expression preincubated for 24 hrs followed ...


Eur J Med Chem 151: 450-461 (2018)


Article DOI: 10.1016/j.ejmech.2018.04.006
BindingDB Entry DOI: 10.7270/Q2X069KM
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50103503
PNG
(CHEMBL2393130 | US11117865, Compound RVX-208)
Show SMILES COc1cc(OC)c2c(c1)nc([nH]c2=O)-c1cc(C)c(OCCO)c(C)c1
Show InChI InChI=1S/C20H22N2O5/c1-11-7-13(8-12(2)18(11)27-6-5-23)19-21-15-9-14(25-3)10-16(26-4)17(15)20(24)22-19/h7-10,23H,5-6H2,1-4H3,(H,21,22,24)
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n/an/a 1.14E+3n/an/an/an/an/an/a



University of Texas Medical Branch

Curated by ChEMBL


Assay Description
Inhibition of BRD4 BD1 (unknown origin) after 1 hr by TR-FRET assay


Eur J Med Chem 151: 450-461 (2018)


Article DOI: 10.1016/j.ejmech.2018.04.006
BindingDB Entry DOI: 10.7270/Q2X069KM
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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n/an/a 1.38E+3n/an/an/an/an/an/a



University of Texas Medical Branch

Curated by ChEMBL


Assay Description
Inhibition of BRD4 in human SAE cells assessed as reduction in TLR3 agonist poly(I:C) -induced ISG54 RNA expression preincubated for 24 hrs followed ...


Eur J Med Chem 151: 450-461 (2018)


Article DOI: 10.1016/j.ejmech.2018.04.006
BindingDB Entry DOI: 10.7270/Q2X069KM
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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n/an/a 1.49E+3n/an/an/an/an/an/a



University of Texas Medical Branch

Curated by ChEMBL


Assay Description
Inhibition of BRD4 in human SAE cells assessed as reduction in TLR3 agonist poly(I:C) -induced grobeta RNA expression preincubated for 24 hrs followe...


Eur J Med Chem 151: 450-461 (2018)


Article DOI: 10.1016/j.ejmech.2018.04.006
BindingDB Entry DOI: 10.7270/Q2X069KM
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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n/an/a 1.51E+3n/an/an/an/an/an/a



University of Texas Medical Branch

Curated by ChEMBL


Assay Description
Inhibition of BRD4 in human SAE cells assessed as reduction in TLR3 agonist poly(I:C) -induced IL-8 RNA expression preincubated for 24 hrs followed b...


Eur J Med Chem 151: 450-461 (2018)


Article DOI: 10.1016/j.ejmech.2018.04.006
BindingDB Entry DOI: 10.7270/Q2X069KM
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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n/an/a 1.63E+3n/an/an/an/an/an/a



University of Texas Medical Branch

Curated by ChEMBL


Assay Description
Inhibition of BRD4 in human SAE cells assessed as reduction in TLR3 agonist poly(I:C) -induced ISG56 RNA expression preincubated for 24 hrs followed ...


Eur J Med Chem 151: 450-461 (2018)


Article DOI: 10.1016/j.ejmech.2018.04.006
BindingDB Entry DOI: 10.7270/Q2X069KM
More data for this
Ligand-Target Pair
Bromodomain-containing protein 2


(Homo sapiens (Human))
BDBM50370182
PNG
(CHEMBL4176038 | US11117865, Compound ZL0420)
Show SMILES Cc1cc(\N=N\c2ccc3NC(=O)CCc3c2)c(N)cc1O
Show InChI InChI=1S/C16H16N4O2/c1-9-6-14(12(17)8-15(9)21)20-19-11-3-4-13-10(7-11)2-5-16(22)18-13/h3-4,6-8,21H,2,5,17H2,1H3,(H,18,22)/b20-19+
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n/an/a 1.74E+3n/an/an/an/an/an/a



University of Texas Medical Branch

Curated by ChEMBL


Assay Description
Inhibition of BRD2 BD2 (unknown origin) after 1 hr by TR-FRET assay


Eur J Med Chem 151: 450-461 (2018)


Article DOI: 10.1016/j.ejmech.2018.04.006
BindingDB Entry DOI: 10.7270/Q2X069KM
More data for this
Ligand-Target Pair
Bromodomain-containing protein 2


(Homo sapiens (Human))
BDBM50370181
PNG
(CHEMBL4159382 | US11117865, Compound ZL0454)
Show SMILES Cc1cc(\N=N\c2ccc(cc2)S(=O)(=O)NC2CCCC2)c(N)cc1O
Show InChI InChI=1S/C18H22N4O3S/c1-12-10-17(16(19)11-18(12)23)21-20-13-6-8-15(9-7-13)26(24,25)22-14-4-2-3-5-14/h6-11,14,22-23H,2-5,19H2,1H3/b21-20+
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n/an/a 1.84E+3n/an/an/an/an/an/a



University of Texas Medical Branch

Curated by ChEMBL


Assay Description
Inhibition of BRD2 BD2 (unknown origin) after 1 hr by TR-FRET assay


Eur J Med Chem 151: 450-461 (2018)


Article DOI: 10.1016/j.ejmech.2018.04.006
BindingDB Entry DOI: 10.7270/Q2X069KM
More data for this
Ligand-Target Pair
Bromodomain-containing protein 3


(Homo sapiens (Human))
BDBM50370182
PNG
(CHEMBL4176038 | US11117865, Compound ZL0420)
Show SMILES Cc1cc(\N=N\c2ccc3NC(=O)CCc3c2)c(N)cc1O
Show InChI InChI=1S/C16H16N4O2/c1-9-6-14(12(17)8-15(9)21)20-19-11-3-4-13-10(7-11)2-5-16(22)18-13/h3-4,6-8,21H,2,5,17H2,1H3,(H,18,22)/b20-19+
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n/an/a 2.19E+3n/an/an/an/an/an/a



University of Texas Medical Branch

Curated by ChEMBL


Assay Description
Inhibition of BRD3 BD2 (unknown origin) after 1 hr by TR-FRET assay


Eur J Med Chem 151: 450-461 (2018)


Article DOI: 10.1016/j.ejmech.2018.04.006
BindingDB Entry DOI: 10.7270/Q2X069KM
More data for this
Ligand-Target Pair
Bromodomain-containing protein 3


(Homo sapiens (Human))
BDBM50370181
PNG
(CHEMBL4159382 | US11117865, Compound ZL0454)
Show SMILES Cc1cc(\N=N\c2ccc(cc2)S(=O)(=O)NC2CCCC2)c(N)cc1O
Show InChI InChI=1S/C18H22N4O3S/c1-12-10-17(16(19)11-18(12)23)21-20-13-6-8-15(9-7-13)26(24,25)22-14-4-2-3-5-14/h6-11,14,22-23H,2-5,19H2,1H3/b21-20+
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n/an/a 2.24E+3n/an/an/an/an/an/a



University of Texas Medical Branch

Curated by ChEMBL


Assay Description
Inhibition of BRD3 BD2 (unknown origin) after 1 hr by TR-FRET assay


Eur J Med Chem 151: 450-461 (2018)


Article DOI: 10.1016/j.ejmech.2018.04.006
BindingDB Entry DOI: 10.7270/Q2X069KM
More data for this
Ligand-Target Pair
Bromodomain-containing protein 3


(Homo sapiens (Human))
BDBM50370182
PNG
(CHEMBL4176038 | US11117865, Compound ZL0420)
Show SMILES Cc1cc(\N=N\c2ccc3NC(=O)CCc3c2)c(N)cc1O
Show InChI InChI=1S/C16H16N4O2/c1-9-6-14(12(17)8-15(9)21)20-19-11-3-4-13-10(7-11)2-5-16(22)18-13/h3-4,6-8,21H,2,5,17H2,1H3,(H,18,22)/b20-19+
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n/an/a 2.28E+3n/an/an/an/an/an/a



University of Texas Medical Branch

Curated by ChEMBL


Assay Description
Inhibition of BRD3 BD1 (unknown origin) after 1 hr by TR-FRET assay


Eur J Med Chem 151: 450-461 (2018)


Article DOI: 10.1016/j.ejmech.2018.04.006
BindingDB Entry DOI: 10.7270/Q2X069KM
More data for this
Ligand-Target Pair
Bromodomain-containing protein 3


(Homo sapiens (Human))
BDBM50370181
PNG
(CHEMBL4159382 | US11117865, Compound ZL0454)
Show SMILES Cc1cc(\N=N\c2ccc(cc2)S(=O)(=O)NC2CCCC2)c(N)cc1O
Show InChI InChI=1S/C18H22N4O3S/c1-12-10-17(16(19)11-18(12)23)21-20-13-6-8-15(9-7-13)26(24,25)22-14-4-2-3-5-14/h6-11,14,22-23H,2-5,19H2,1H3/b21-20+
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n/an/a 2.49E+3n/an/an/an/an/an/a



University of Texas Medical Branch

Curated by ChEMBL


Assay Description
Inhibition of BRD3 BD1 (unknown origin) after 1 hr by TR-FRET assay


Eur J Med Chem 151: 450-461 (2018)


Article DOI: 10.1016/j.ejmech.2018.04.006
BindingDB Entry DOI: 10.7270/Q2X069KM
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50103503
PNG
(CHEMBL2393130 | US11117865, Compound RVX-208)
Show SMILES COc1cc(OC)c2c(c1)nc([nH]c2=O)-c1cc(C)c(OCCO)c(C)c1
Show InChI InChI=1S/C20H22N2O5/c1-11-7-13(8-12(2)18(11)27-6-5-23)19-21-15-9-14(25-3)10-16(26-4)17(15)20(24)22-19/h7-10,23H,5-6H2,1-4H3,(H,21,22,24)
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n/an/a 2.63E+3n/an/an/an/an/an/a



University of Texas Medical Branch

Curated by ChEMBL


Assay Description
Inhibition of BRD4 in human SAE cells assessed as reduction in TLR3 agonist poly(I:C) -induced ISG54 RNA expression preincubated for 24 hrs followed ...


Eur J Med Chem 151: 450-461 (2018)


Article DOI: 10.1016/j.ejmech.2018.04.006
BindingDB Entry DOI: 10.7270/Q2X069KM
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50103503
PNG
(CHEMBL2393130 | US11117865, Compound RVX-208)
Show SMILES COc1cc(OC)c2c(c1)nc([nH]c2=O)-c1cc(C)c(OCCO)c(C)c1
Show InChI InChI=1S/C20H22N2O5/c1-11-7-13(8-12(2)18(11)27-6-5-23)19-21-15-9-14(25-3)10-16(26-4)17(15)20(24)22-19/h7-10,23H,5-6H2,1-4H3,(H,21,22,24)
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n/an/a 2.74E+3n/an/an/an/an/an/a



University of Texas Medical Branch

Curated by ChEMBL


Assay Description
Inhibition of BRD4 in human SAE cells assessed as reduction in TLR3 agonist poly(I:C) -induced ISG56 RNA expression preincubated for 24 hrs followed ...


Eur J Med Chem 151: 450-461 (2018)


Article DOI: 10.1016/j.ejmech.2018.04.006
BindingDB Entry DOI: 10.7270/Q2X069KM
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Bromodomain testis-specific protein


(Homo sapiens (Human))
BDBM50370182
PNG
(CHEMBL4176038 | US11117865, Compound ZL0420)
Show SMILES Cc1cc(\N=N\c2ccc3NC(=O)CCc3c2)c(N)cc1O
Show InChI InChI=1S/C16H16N4O2/c1-9-6-14(12(17)8-15(9)21)20-19-11-3-4-13-10(7-11)2-5-16(22)18-13/h3-4,6-8,21H,2,5,17H2,1H3,(H,18,22)/b20-19+
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n/an/a 2.78E+3n/an/an/an/an/an/a



University of Texas Medical Branch

Curated by ChEMBL


Assay Description
Inhibition of BRDT BD2 (unknown origin) after 1 hr by TR-FRET assay


Eur J Med Chem 151: 450-461 (2018)


Article DOI: 10.1016/j.ejmech.2018.04.006
BindingDB Entry DOI: 10.7270/Q2X069KM
More data for this
Ligand-Target Pair
Bromodomain testis-specific protein


(Homo sapiens (Human))
BDBM50370181
PNG
(CHEMBL4159382 | US11117865, Compound ZL0454)
Show SMILES Cc1cc(\N=N\c2ccc(cc2)S(=O)(=O)NC2CCCC2)c(N)cc1O
Show InChI InChI=1S/C18H22N4O3S/c1-12-10-17(16(19)11-18(12)23)21-20-13-6-8-15(9-7-13)26(24,25)22-14-4-2-3-5-14/h6-11,14,22-23H,2-5,19H2,1H3/b21-20+
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n/an/a 3.08E+3n/an/an/an/an/an/a



University of Texas Medical Branch

Curated by ChEMBL


Assay Description
Inhibition of BRDT BD2 (unknown origin) after 1 hr by TR-FRET assay


Eur J Med Chem 151: 450-461 (2018)


Article DOI: 10.1016/j.ejmech.2018.04.006
BindingDB Entry DOI: 10.7270/Q2X069KM
More data for this
Ligand-Target Pair
Bromodomain testis-specific protein


(Homo sapiens (Human))
BDBM50370182
PNG
(CHEMBL4176038 | US11117865, Compound ZL0420)
Show SMILES Cc1cc(\N=N\c2ccc3NC(=O)CCc3c2)c(N)cc1O
Show InChI InChI=1S/C16H16N4O2/c1-9-6-14(12(17)8-15(9)21)20-19-11-3-4-13-10(7-11)2-5-16(22)18-13/h3-4,6-8,21H,2,5,17H2,1H3,(H,18,22)/b20-19+
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n/an/a 3.18E+3n/an/an/an/an/an/a



University of Texas Medical Branch

Curated by ChEMBL


Assay Description
Inhibition of BRDT BD1 (unknown origin) after 1 hr by TR-FRET assay


Eur J Med Chem 151: 450-461 (2018)


Article DOI: 10.1016/j.ejmech.2018.04.006
BindingDB Entry DOI: 10.7270/Q2X069KM
More data for this
Ligand-Target Pair
Bromodomain testis-specific protein


(Homo sapiens (Human))
BDBM50370181
PNG
(CHEMBL4159382 | US11117865, Compound ZL0454)
Show SMILES Cc1cc(\N=N\c2ccc(cc2)S(=O)(=O)NC2CCCC2)c(N)cc1O
Show InChI InChI=1S/C18H22N4O3S/c1-12-10-17(16(19)11-18(12)23)21-20-13-6-8-15(9-7-13)26(24,25)22-14-4-2-3-5-14/h6-11,14,22-23H,2-5,19H2,1H3/b21-20+
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n/an/a 3.29E+3n/an/an/an/an/an/a



University of Texas Medical Branch

Curated by ChEMBL


Assay Description
Inhibition of BRDT BD1 (unknown origin) after 1 hr by TR-FRET assay


Eur J Med Chem 151: 450-461 (2018)


Article DOI: 10.1016/j.ejmech.2018.04.006
BindingDB Entry DOI: 10.7270/Q2X069KM
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50103503
PNG
(CHEMBL2393130 | US11117865, Compound RVX-208)
Show SMILES COc1cc(OC)c2c(c1)nc([nH]c2=O)-c1cc(C)c(OCCO)c(C)c1
Show InChI InChI=1S/C20H22N2O5/c1-11-7-13(8-12(2)18(11)27-6-5-23)19-21-15-9-14(25-3)10-16(26-4)17(15)20(24)22-19/h7-10,23H,5-6H2,1-4H3,(H,21,22,24)
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n/an/a 3.73E+3n/an/an/an/an/an/a



University of Texas Medical Branch

Curated by ChEMBL


Assay Description
Inhibition of BRD4 in human SAE cells assessed as reduction in TLR3 agonist poly(I:C) -induced grobeta RNA expression preincubated for 24 hrs followe...


Eur J Med Chem 151: 450-461 (2018)


Article DOI: 10.1016/j.ejmech.2018.04.006
BindingDB Entry DOI: 10.7270/Q2X069KM
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50103503
PNG
(CHEMBL2393130 | US11117865, Compound RVX-208)
Show SMILES COc1cc(OC)c2c(c1)nc([nH]c2=O)-c1cc(C)c(OCCO)c(C)c1
Show InChI InChI=1S/C20H22N2O5/c1-11-7-13(8-12(2)18(11)27-6-5-23)19-21-15-9-14(25-3)10-16(26-4)17(15)20(24)22-19/h7-10,23H,5-6H2,1-4H3,(H,21,22,24)
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n/an/a 3.85E+3n/an/an/an/an/an/a



University of Texas Medical Branch

Curated by ChEMBL


Assay Description
Inhibition of BRD4 in human SAE cells assessed as reduction in TLR3 agonist poly(I:C) -induced IL-8 RNA expression preincubated for 24 hrs followed b...


Eur J Med Chem 151: 450-461 (2018)


Article DOI: 10.1016/j.ejmech.2018.04.006
BindingDB Entry DOI: 10.7270/Q2X069KM
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50370183
PNG
(CHEMBL4173521)
Show SMILES CC(C)(C)c1cc(no1)-c1nnc(o1)-c1cc(F)cc(Cl)c1
Show InChI InChI=1S/C15H13ClFN3O2/c1-15(2,3)12-7-11(20-22-12)14-19-18-13(21-14)8-4-9(16)6-10(17)5-8/h4-7H,1-3H3
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n/an/a 3.90E+3n/an/an/an/an/an/a



University of Texas Medical Branch

Curated by ChEMBL


Assay Description
Inhibition of BRD4 in human SAE cells assessed as reduction in TLR3 agonist poly(I:C) -induced grobeta RNA expression preincubated for 24 hrs followe...


Eur J Med Chem 151: 450-461 (2018)


Article DOI: 10.1016/j.ejmech.2018.04.006
BindingDB Entry DOI: 10.7270/Q2X069KM
More data for this
Ligand-Target Pair
Bromodomain-containing protein 3


(Homo sapiens (Human))
BDBM50103503
PNG
(CHEMBL2393130 | US11117865, Compound RVX-208)
Show SMILES COc1cc(OC)c2c(c1)nc([nH]c2=O)-c1cc(C)c(OCCO)c(C)c1
Show InChI InChI=1S/C20H22N2O5/c1-11-7-13(8-12(2)18(11)27-6-5-23)19-21-15-9-14(25-3)10-16(26-4)17(15)20(24)22-19/h7-10,23H,5-6H2,1-4H3,(H,21,22,24)
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n/an/a 3.96E+3n/an/an/an/an/an/a



University of Texas Medical Branch

Curated by ChEMBL


Assay Description
Inhibition of BRD3 BD1 (unknown origin) after 1 hr by TR-FRET assay


Eur J Med Chem 151: 450-461 (2018)


Article DOI: 10.1016/j.ejmech.2018.04.006
BindingDB Entry DOI: 10.7270/Q2X069KM
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50370183
PNG
(CHEMBL4173521)
Show SMILES CC(C)(C)c1cc(no1)-c1nnc(o1)-c1cc(F)cc(Cl)c1
Show InChI InChI=1S/C15H13ClFN3O2/c1-15(2,3)12-7-11(20-22-12)14-19-18-13(21-14)8-4-9(16)6-10(17)5-8/h4-7H,1-3H3
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n/an/a 4.30E+3n/an/an/an/an/an/a



University of Texas Medical Branch

Curated by ChEMBL


Assay Description
Inhibition of BRD4 in human SAE cells assessed as reduction in TLR3 agonist poly(I:C) -induced IL-8 RNA expression preincubated for 24 hrs followed b...


Eur J Med Chem 151: 450-461 (2018)


Article DOI: 10.1016/j.ejmech.2018.04.006
BindingDB Entry DOI: 10.7270/Q2X069KM
More data for this
Ligand-Target Pair
Bromodomain testis-specific protein


(Homo sapiens (Human))
BDBM50103503
PNG
(CHEMBL2393130 | US11117865, Compound RVX-208)
Show SMILES COc1cc(OC)c2c(c1)nc([nH]c2=O)-c1cc(C)c(OCCO)c(C)c1
Show InChI InChI=1S/C20H22N2O5/c1-11-7-13(8-12(2)18(11)27-6-5-23)19-21-15-9-14(25-3)10-16(26-4)17(15)20(24)22-19/h7-10,23H,5-6H2,1-4H3,(H,21,22,24)
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n/an/a 4.84E+3n/an/an/an/an/an/a



University of Texas Medical Branch

Curated by ChEMBL


Assay Description
Inhibition of BRDT BD1 (unknown origin) after 1 hr by TR-FRET assay


Eur J Med Chem 151: 450-461 (2018)


Article DOI: 10.1016/j.ejmech.2018.04.006
BindingDB Entry DOI: 10.7270/Q2X069KM
More data for this
Ligand-Target Pair
Bromodomain-containing protein 2


(Homo sapiens (Human))
BDBM50103503
PNG
(CHEMBL2393130 | US11117865, Compound RVX-208)
Show SMILES COc1cc(OC)c2c(c1)nc([nH]c2=O)-c1cc(C)c(OCCO)c(C)c1
Show InChI InChI=1S/C20H22N2O5/c1-11-7-13(8-12(2)18(11)27-6-5-23)19-21-15-9-14(25-3)10-16(26-4)17(15)20(24)22-19/h7-10,23H,5-6H2,1-4H3,(H,21,22,24)
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n/an/a 5.78E+3n/an/an/an/an/an/a



University of Texas Medical Branch

Curated by ChEMBL


Assay Description
Inhibition of BRD2 BD1 (unknown origin) after 1 hr by TR-FRET assay


Eur J Med Chem 151: 450-461 (2018)


Article DOI: 10.1016/j.ejmech.2018.04.006
BindingDB Entry DOI: 10.7270/Q2X069KM
More data for this
Ligand-Target Pair
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