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Compile Data Set for Download or QSAR

Found 99 hits Enz. Inhib. hit(s) with all data for entry = 10185   
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 [49-170]


(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


TBA

Assay Description
Determine the binding ability of BRD4 compounds to bromodomains of BRD2 and BRD4. 96 well plate based commercial TR-FRET Assay kits (Cayman Chemical,...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2TT4V40
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 [342-460]


(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


TBA

Assay Description
Determine the binding ability of BRD4 compounds to bromodomains of BRD2 and BRD4. 96 well plate based commercial TR-FRET Assay kits (Cayman Chemical,...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2TT4V40
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 [342-460]


(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


TBA

Assay Description
Determine the binding ability of BRD4 compounds to bromodomains of BRD2 and BRD4. 96 well plate based commercial TR-FRET Assay kits (Cayman Chemical,...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2TT4V40
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 [49-170]


(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


TBA

Assay Description
Determine the binding ability of BRD4 compounds to bromodomains of BRD2 and BRD4. 96 well plate based commercial TR-FRET Assay kits (Cayman Chemical,...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2TT4V40
More data for this
Ligand-Target Pair
Bromodomain-containing protein 2 [364-436]


(Homo sapiens (Human))
BDBM205429
PNG
( (R)-JQ1 (3) | US10407441, Compound (R)-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-/m1/s1
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n/an/a 52n/an/an/an/an/an/a


TBA

Assay Description
Determine the binding ability of BRD4 compounds to bromodomains of BRD2 and BRD4. 96 well plate based commercial TR-FRET Assay kits (Cayman Chemical,...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2TT4V40
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 [342-460]


(Homo sapiens (Human))
BDBM205429
PNG
( (R)-JQ1 (3) | US10407441, Compound (R)-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-/m1/s1
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TBA

Assay Description
Determine the binding ability of BRD4 compounds to bromodomains of BRD2 and BRD4. 96 well plate based commercial TR-FRET Assay kits (Cayman Chemical,...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2TT4V40
More data for this
Ligand-Target Pair
Bromodomain-containing protein 3 [326-398]


(Homo sapiens (Human))
BDBM205429
PNG
( (R)-JQ1 (3) | US10407441, Compound (R)-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-/m1/s1
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n/an/a 69n/an/an/an/an/an/a


TBA

Assay Description
Determine the binding ability of BRD4 compounds to bromodomains of BRD2 and BRD4. 96 well plate based commercial TR-FRET Assay kits (Cayman Chemical,...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2TT4V40
More data for this
Ligand-Target Pair
Bromodomain-containing protein 2 [91-163]


(Homo sapiens (Human))
BDBM205429
PNG
( (R)-JQ1 (3) | US10407441, Compound (R)-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-/m1/s1
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n/an/a 78n/an/an/an/an/an/a


TBA

Assay Description
Determine the binding ability of BRD4 compounds to bromodomains of BRD2 and BRD4. 96 well plate based commercial TR-FRET Assay kits (Cayman Chemical,...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2TT4V40
More data for this
Ligand-Target Pair
Bromodomain-containing protein 3 [51-123]


(Homo sapiens (Human))
BDBM205429
PNG
( (R)-JQ1 (3) | US10407441, Compound (R)-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-/m1/s1
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n/an/a 81n/an/an/an/an/an/a


TBA

Assay Description
Determine the binding ability of BRD4 compounds to bromodomains of BRD2 and BRD4. 96 well plate based commercial TR-FRET Assay kits (Cayman Chemical,...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2TT4V40
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 [49-170]


(Homo sapiens (Human))
BDBM50527819
PNG
(CHEMBL4557050 | US11117865, Compound ZL0516)
Show SMILES COc1cc(OC)c2c(c1)oc(cc2=O)-c1cc(C)c(OC[C@H](O)CN2CCN(C)CC2)c(C)c1 |r|
Show InChI InChI=1S/C27H34N2O6/c1-17-10-19(23-14-22(31)26-24(33-5)12-21(32-4)13-25(26)35-23)11-18(2)27(17)34-16-20(30)15-29-8-6-28(3)7-9-29/h10-14,20,30H,6-9,15-16H2,1-5H3/t20-/m1/s1
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n/an/a 84n/an/an/an/an/an/a


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Assay Description
Determine the binding ability of BRD4 compounds to bromodomains of BRD2 and BRD4. 96 well plate based commercial TR-FRET Assay kits (Cayman Chemical,...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2TT4V40
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 [49-170]


(Homo sapiens (Human))
BDBM50527819
PNG
(CHEMBL4557050 | US11117865, Compound ZL0516)
Show SMILES COc1cc(OC)c2c(c1)oc(cc2=O)-c1cc(C)c(OC[C@H](O)CN2CCN(C)CC2)c(C)c1 |r|
Show InChI InChI=1S/C27H34N2O6/c1-17-10-19(23-14-22(31)26-24(33-5)12-21(32-4)13-25(26)35-23)11-18(2)27(17)34-16-20(30)15-29-8-6-28(3)7-9-29/h10-14,20,30H,6-9,15-16H2,1-5H3/t20-/m1/s1
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n/an/a 84n/an/an/an/an/an/a


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Assay Description
Determine the binding ability of BRD4 compounds to bromodomains of BRD2 and BRD4. 96 well plate based commercial TR-FRET Assay kits (Cayman Chemical,...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2TT4V40
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 [49-170]


(Homo sapiens (Human))
BDBM205429
PNG
( (R)-JQ1 (3) | US10407441, Compound (R)-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-/m1/s1
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Assay Description
Determine the binding ability of BRD4 compounds to bromodomains of BRD2 and BRD4. 96 well plate based commercial TR-FRET Assay kits (Cayman Chemical,...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2TT4V40
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 [49-170]


(Homo sapiens (Human))
BDBM518731
PNG
(US11117865, Compound ZL0590)
Show SMILES FC(F)(F)c1ccc(NC(=O)Nc2ccc(cc2)S(=O)(=O)N2CCC[C@@H]2CN2CCOCC2)cc1 |r|
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Assay Description
Determine the binding ability of BRD4 compounds to bromodomains of BRD2 and BRD4. 96 well plate based commercial TR-FRET Assay kits (Cayman Chemical,...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2TT4V40
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 [49-170]


(Homo sapiens (Human))
BDBM518731
PNG
(US11117865, Compound ZL0590)
Show SMILES FC(F)(F)c1ccc(NC(=O)Nc2ccc(cc2)S(=O)(=O)N2CCC[C@@H]2CN2CCOCC2)cc1 |r|
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Assay Description
Determine the binding ability of BRD4 compounds to bromodomains of BRD2 and BRD4. 96 well plate based commercial TR-FRET Assay kits (Cayman Chemical,...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2TT4V40
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 [49-170]


(Homo sapiens (Human))
BDBM518799
PNG
(US11117865, Compound ZL0591)
Show SMILES OC1CCN(C[C@@H]2CCCN2S(=O)(=O)c2ccc(NC(=O)Nc3ccc(cc3)C(F)(F)F)cc2)CC1 |r|
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Assay Description
Determine the binding ability of BRD4 compounds to bromodomains of BRD2 and BRD4. 96 well plate based commercial TR-FRET Assay kits (Cayman Chemical,...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2TT4V40
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 [49-170]


(Homo sapiens (Human))
BDBM518799
PNG
(US11117865, Compound ZL0591)
Show SMILES OC1CCN(C[C@@H]2CCCN2S(=O)(=O)c2ccc(NC(=O)Nc3ccc(cc3)C(F)(F)F)cc2)CC1 |r|
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Assay Description
Determine the binding ability of BRD4 compounds to bromodomains of BRD2 and BRD4. 96 well plate based commercial TR-FRET Assay kits (Cayman Chemical,...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2TT4V40
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 [342-460]


(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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Assay Description
Determine the binding ability of BRD4 compounds to bromodomains of BRD2 and BRD4. 96 well plate based commercial TR-FRET Assay kits (Cayman Chemical,...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2TT4V40
More data for this
Ligand-Target Pair
Bromodomain testis-specific protein [22-138]


(Homo sapiens (Human))
BDBM205429
PNG
( (R)-JQ1 (3) | US10407441, Compound (R)-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-/m1/s1
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Assay Description
Determine the binding ability of BRD4 compounds to bromodomains of BRD2 and BRD4. 96 well plate based commercial TR-FRET Assay kits (Cayman Chemical,...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2TT4V40
More data for this
Ligand-Target Pair
Bromodomain-containing protein 3 [326-398]


(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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Assay Description
Determine the binding ability of BRD4 compounds to bromodomains of BRD2 and BRD4. 96 well plate based commercial TR-FRET Assay kits (Cayman Chemical,...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2TT4V40
More data for this
Ligand-Target Pair
Bromodomain testis-specific protein [287-359]


(Homo sapiens (Human))
BDBM205429
PNG
( (R)-JQ1 (3) | US10407441, Compound (R)-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-/m1/s1
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n/an/a 217n/an/an/an/an/an/a


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Assay Description
Determine the binding ability of BRD4 compounds to bromodomains of BRD2 and BRD4. 96 well plate based commercial TR-FRET Assay kits (Cayman Chemical,...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2TT4V40
More data for this
Ligand-Target Pair
Bromodomain-containing protein 2 [364-436]


(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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TBA

Assay Description
Determine the binding ability of BRD4 compounds to bromodomains of BRD2 and BRD4. 96 well plate based commercial TR-FRET Assay kits (Cayman Chemical,...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2TT4V40
More data for this
Ligand-Target Pair
Bromodomain testis-specific protein [287-359]


(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


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Determine the binding ability of BRD4 compounds to bromodomains of BRD2 and BRD4. 96 well plate based commercial TR-FRET Assay kits (Cayman Chemical,...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2TT4V40
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 [342-460]


(Homo sapiens (Human))
BDBM50527819
PNG
(CHEMBL4557050 | US11117865, Compound ZL0516)
Show SMILES COc1cc(OC)c2c(c1)oc(cc2=O)-c1cc(C)c(OC[C@H](O)CN2CCN(C)CC2)c(C)c1 |r|
Show InChI InChI=1S/C27H34N2O6/c1-17-10-19(23-14-22(31)26-24(33-5)12-21(32-4)13-25(26)35-23)11-18(2)27(17)34-16-20(30)15-29-8-6-28(3)7-9-29/h10-14,20,30H,6-9,15-16H2,1-5H3/t20-/m1/s1
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Determine the binding ability of BRD4 compounds to bromodomains of BRD2 and BRD4. 96 well plate based commercial TR-FRET Assay kits (Cayman Chemical,...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2TT4V40
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 [342-460]


(Homo sapiens (Human))
BDBM50527819
PNG
(CHEMBL4557050 | US11117865, Compound ZL0516)
Show SMILES COc1cc(OC)c2c(c1)oc(cc2=O)-c1cc(C)c(OC[C@H](O)CN2CCN(C)CC2)c(C)c1 |r|
Show InChI InChI=1S/C27H34N2O6/c1-17-10-19(23-14-22(31)26-24(33-5)12-21(32-4)13-25(26)35-23)11-18(2)27(17)34-16-20(30)15-29-8-6-28(3)7-9-29/h10-14,20,30H,6-9,15-16H2,1-5H3/t20-/m1/s1
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Determine the binding ability of BRD4 compounds to bromodomains of BRD2 and BRD4. 96 well plate based commercial TR-FRET Assay kits (Cayman Chemical,...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2TT4V40
More data for this
Ligand-Target Pair
Bromodomain-containing protein 2 [91-163]


(Homo sapiens (Human))
BDBM518799
PNG
(US11117865, Compound ZL0591)
Show SMILES OC1CCN(C[C@@H]2CCCN2S(=O)(=O)c2ccc(NC(=O)Nc3ccc(cc3)C(F)(F)F)cc2)CC1 |r|
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Determine the binding ability of BRD4 compounds to bromodomains of BRD2 and BRD4. 96 well plate based commercial TR-FRET Assay kits (Cayman Chemical,...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2TT4V40
More data for this
Ligand-Target Pair
Bromodomain-containing protein 2 [91-163]


(Homo sapiens (Human))
BDBM518799
PNG
(US11117865, Compound ZL0591)
Show SMILES OC1CCN(C[C@@H]2CCCN2S(=O)(=O)c2ccc(NC(=O)Nc3ccc(cc3)C(F)(F)F)cc2)CC1 |r|
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Determine the binding ability of BRD4 compounds to bromodomains of BRD2 and BRD4. 96 well plate based commercial TR-FRET Assay kits (Cayman Chemical,...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2TT4V40
More data for this
Ligand-Target Pair
Bromodomain-containing protein 2 [91-163]


(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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Determine the binding ability of BRD4 compounds to bromodomains of BRD2 and BRD4. 96 well plate based commercial TR-FRET Assay kits (Cayman Chemical,...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2TT4V40
More data for this
Ligand-Target Pair
Bromodomain-containing protein 2 [91-163]


(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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Determine the binding ability of BRD4 compounds to bromodomains of BRD2 and BRD4. 96 well plate based commercial TR-FRET Assay kits (Cayman Chemical,...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2TT4V40
More data for this
Ligand-Target Pair
Bromodomain-containing protein 2 [91-163]


(Homo sapiens (Human))
BDBM518731
PNG
(US11117865, Compound ZL0590)
Show SMILES FC(F)(F)c1ccc(NC(=O)Nc2ccc(cc2)S(=O)(=O)N2CCC[C@@H]2CN2CCOCC2)cc1 |r|
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Determine the binding ability of BRD4 compounds to bromodomains of BRD2 and BRD4. 96 well plate based commercial TR-FRET Assay kits (Cayman Chemical,...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2TT4V40
More data for this
Ligand-Target Pair
Bromodomain-containing protein 2 [91-163]


(Homo sapiens (Human))
BDBM518731
PNG
(US11117865, Compound ZL0590)
Show SMILES FC(F)(F)c1ccc(NC(=O)Nc2ccc(cc2)S(=O)(=O)N2CCC[C@@H]2CN2CCOCC2)cc1 |r|
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Determine the binding ability of BRD4 compounds to bromodomains of BRD2 and BRD4. 96 well plate based commercial TR-FRET Assay kits (Cayman Chemical,...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2TT4V40
More data for this
Ligand-Target Pair
Bromodomain-containing protein 2 [91-163]


(Homo sapiens (Human))
BDBM50527819
PNG
(CHEMBL4557050 | US11117865, Compound ZL0516)
Show SMILES COc1cc(OC)c2c(c1)oc(cc2=O)-c1cc(C)c(OC[C@H](O)CN2CCN(C)CC2)c(C)c1 |r|
Show InChI InChI=1S/C27H34N2O6/c1-17-10-19(23-14-22(31)26-24(33-5)12-21(32-4)13-25(26)35-23)11-18(2)27(17)34-16-20(30)15-29-8-6-28(3)7-9-29/h10-14,20,30H,6-9,15-16H2,1-5H3/t20-/m1/s1
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Determine the binding ability of BRD4 compounds to bromodomains of BRD2 and BRD4. 96 well plate based commercial TR-FRET Assay kits (Cayman Chemical,...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2TT4V40
More data for this
Ligand-Target Pair
Bromodomain-containing protein 2 [91-163]


(Homo sapiens (Human))
BDBM50527819
PNG
(CHEMBL4557050 | US11117865, Compound ZL0516)
Show SMILES COc1cc(OC)c2c(c1)oc(cc2=O)-c1cc(C)c(OC[C@H](O)CN2CCN(C)CC2)c(C)c1 |r|
Show InChI InChI=1S/C27H34N2O6/c1-17-10-19(23-14-22(31)26-24(33-5)12-21(32-4)13-25(26)35-23)11-18(2)27(17)34-16-20(30)15-29-8-6-28(3)7-9-29/h10-14,20,30H,6-9,15-16H2,1-5H3/t20-/m1/s1
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Determine the binding ability of BRD4 compounds to bromodomains of BRD2 and BRD4. 96 well plate based commercial TR-FRET Assay kits (Cayman Chemical,...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2TT4V40
More data for this
Ligand-Target Pair
Bromodomain-containing protein 2 [364-436]


(Homo sapiens (Human))
BDBM50527819
PNG
(CHEMBL4557050 | US11117865, Compound ZL0516)
Show SMILES COc1cc(OC)c2c(c1)oc(cc2=O)-c1cc(C)c(OC[C@H](O)CN2CCN(C)CC2)c(C)c1 |r|
Show InChI InChI=1S/C27H34N2O6/c1-17-10-19(23-14-22(31)26-24(33-5)12-21(32-4)13-25(26)35-23)11-18(2)27(17)34-16-20(30)15-29-8-6-28(3)7-9-29/h10-14,20,30H,6-9,15-16H2,1-5H3/t20-/m1/s1
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Determine the binding ability of BRD4 compounds to bromodomains of BRD2 and BRD4. 96 well plate based commercial TR-FRET Assay kits (Cayman Chemical,...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2TT4V40
More data for this
Ligand-Target Pair
Bromodomain-containing protein 2 [364-436]


(Homo sapiens (Human))
BDBM50527819
PNG
(CHEMBL4557050 | US11117865, Compound ZL0516)
Show SMILES COc1cc(OC)c2c(c1)oc(cc2=O)-c1cc(C)c(OC[C@H](O)CN2CCN(C)CC2)c(C)c1 |r|
Show InChI InChI=1S/C27H34N2O6/c1-17-10-19(23-14-22(31)26-24(33-5)12-21(32-4)13-25(26)35-23)11-18(2)27(17)34-16-20(30)15-29-8-6-28(3)7-9-29/h10-14,20,30H,6-9,15-16H2,1-5H3/t20-/m1/s1
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Determine the binding ability of BRD4 compounds to bromodomains of BRD2 and BRD4. 96 well plate based commercial TR-FRET Assay kits (Cayman Chemical,...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2TT4V40
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 [342-460]


(Homo sapiens (Human))
BDBM518731
PNG
(US11117865, Compound ZL0590)
Show SMILES FC(F)(F)c1ccc(NC(=O)Nc2ccc(cc2)S(=O)(=O)N2CCC[C@@H]2CN2CCOCC2)cc1 |r|
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n/an/a 1.05E+3n/an/an/an/an/an/a


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Determine the binding ability of BRD4 compounds to bromodomains of BRD2 and BRD4. 96 well plate based commercial TR-FRET Assay kits (Cayman Chemical,...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2TT4V40
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 [342-460]


(Homo sapiens (Human))
BDBM518731
PNG
(US11117865, Compound ZL0590)
Show SMILES FC(F)(F)c1ccc(NC(=O)Nc2ccc(cc2)S(=O)(=O)N2CCC[C@@H]2CN2CCOCC2)cc1 |r|
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n/an/a 1.05E+3n/an/an/an/an/an/a


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Determine the binding ability of BRD4 compounds to bromodomains of BRD2 and BRD4. 96 well plate based commercial TR-FRET Assay kits (Cayman Chemical,...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2TT4V40
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 [49-170]


(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


TBA

Assay Description
Determine the binding ability of BRD4 compounds to bromodomains of BRD2 and BRD4. 96 well plate based commercial TR-FRET Assay kits (Cayman Chemical,...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2TT4V40
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Bromodomain-containing protein 4 [342-460]


(Homo sapiens (Human))
BDBM518799
PNG
(US11117865, Compound ZL0591)
Show SMILES OC1CCN(C[C@@H]2CCCN2S(=O)(=O)c2ccc(NC(=O)Nc3ccc(cc3)C(F)(F)F)cc2)CC1 |r|
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n/an/a 1.17E+3n/an/an/an/an/an/a


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Determine the binding ability of BRD4 compounds to bromodomains of BRD2 and BRD4. 96 well plate based commercial TR-FRET Assay kits (Cayman Chemical,...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2TT4V40
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 [342-460]


(Homo sapiens (Human))
BDBM518799
PNG
(US11117865, Compound ZL0591)
Show SMILES OC1CCN(C[C@@H]2CCCN2S(=O)(=O)c2ccc(NC(=O)Nc3ccc(cc3)C(F)(F)F)cc2)CC1 |r|
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n/an/a 1.17E+3n/an/an/an/an/an/a


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Determine the binding ability of BRD4 compounds to bromodomains of BRD2 and BRD4. 96 well plate based commercial TR-FRET Assay kits (Cayman Chemical,...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2TT4V40
More data for this
Ligand-Target Pair
Bromodomain-containing protein 2 [364-436]


(Homo sapiens (Human))
BDBM518731
PNG
(US11117865, Compound ZL0590)
Show SMILES FC(F)(F)c1ccc(NC(=O)Nc2ccc(cc2)S(=O)(=O)N2CCC[C@@H]2CN2CCOCC2)cc1 |r|
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n/an/a 1.28E+3n/an/an/an/an/an/a


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Determine the binding ability of BRD4 compounds to bromodomains of BRD2 and BRD4. 96 well plate based commercial TR-FRET Assay kits (Cayman Chemical,...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2TT4V40
More data for this
Ligand-Target Pair
Bromodomain-containing protein 2 [364-436]


(Homo sapiens (Human))
BDBM518731
PNG
(US11117865, Compound ZL0590)
Show SMILES FC(F)(F)c1ccc(NC(=O)Nc2ccc(cc2)S(=O)(=O)N2CCC[C@@H]2CN2CCOCC2)cc1 |r|
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Determine the binding ability of BRD4 compounds to bromodomains of BRD2 and BRD4. 96 well plate based commercial TR-FRET Assay kits (Cayman Chemical,...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2TT4V40
More data for this
Ligand-Target Pair
Bromodomain-containing protein 2 [364-436]


(Homo sapiens (Human))
BDBM518799
PNG
(US11117865, Compound ZL0591)
Show SMILES OC1CCN(C[C@@H]2CCCN2S(=O)(=O)c2ccc(NC(=O)Nc3ccc(cc3)C(F)(F)F)cc2)CC1 |r|
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n/an/a 1.35E+3n/an/an/an/an/an/a


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Determine the binding ability of BRD4 compounds to bromodomains of BRD2 and BRD4. 96 well plate based commercial TR-FRET Assay kits (Cayman Chemical,...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2TT4V40
More data for this
Ligand-Target Pair
Bromodomain-containing protein 2 [364-436]


(Homo sapiens (Human))
BDBM518799
PNG
(US11117865, Compound ZL0591)
Show SMILES OC1CCN(C[C@@H]2CCCN2S(=O)(=O)c2ccc(NC(=O)Nc3ccc(cc3)C(F)(F)F)cc2)CC1 |r|
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Determine the binding ability of BRD4 compounds to bromodomains of BRD2 and BRD4. 96 well plate based commercial TR-FRET Assay kits (Cayman Chemical,...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2TT4V40
More data for this
Ligand-Target Pair
Bromodomain-containing protein 2 [364-436]


(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


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Determine the binding ability of BRD4 compounds to bromodomains of BRD2 and BRD4. 96 well plate based commercial TR-FRET Assay kits (Cayman Chemical,...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2TT4V40
More data for this
Ligand-Target Pair
Bromodomain-containing protein 2 [364-436]


(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


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Determine the binding ability of BRD4 compounds to bromodomains of BRD2 and BRD4. 96 well plate based commercial TR-FRET Assay kits (Cayman Chemical,...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2TT4V40
More data for this
Ligand-Target Pair
Bromodomain testis-specific protein [287-359]


(Homo sapiens (Human))
BDBM518731
PNG
(US11117865, Compound ZL0590)
Show SMILES FC(F)(F)c1ccc(NC(=O)Nc2ccc(cc2)S(=O)(=O)N2CCC[C@@H]2CN2CCOCC2)cc1 |r|
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n/an/a 1.86E+3n/an/an/an/an/an/a


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Determine the binding ability of BRD4 compounds to bromodomains of BRD2 and BRD4. 96 well plate based commercial TR-FRET Assay kits (Cayman Chemical,...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2TT4V40
More data for this
Ligand-Target Pair
Bromodomain testis-specific protein [287-359]


(Homo sapiens (Human))
BDBM518731
PNG
(US11117865, Compound ZL0590)
Show SMILES FC(F)(F)c1ccc(NC(=O)Nc2ccc(cc2)S(=O)(=O)N2CCC[C@@H]2CN2CCOCC2)cc1 |r|
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1.86E+3n/an/an/an/an/an/a


TBA

Assay Description
Determine the binding ability of BRD4 compounds to bromodomains of BRD2 and BRD4. 96 well plate based commercial TR-FRET Assay kits (Cayman Chemical,...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2TT4V40
More data for this
Ligand-Target Pair
Bromodomain-containing protein 3 [326-398]


(Homo sapiens (Human))
BDBM518799
PNG
(US11117865, Compound ZL0591)
Show SMILES OC1CCN(C[C@@H]2CCCN2S(=O)(=O)c2ccc(NC(=O)Nc3ccc(cc3)C(F)(F)F)cc2)CC1 |r|
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1.94E+3n/an/an/an/an/an/a


TBA

Assay Description
Determine the binding ability of BRD4 compounds to bromodomains of BRD2 and BRD4. 96 well plate based commercial TR-FRET Assay kits (Cayman Chemical,...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2TT4V40
More data for this
Ligand-Target Pair
Bromodomain-containing protein 3 [326-398]


(Homo sapiens (Human))
BDBM518799
PNG
(US11117865, Compound ZL0591)
Show SMILES OC1CCN(C[C@@H]2CCCN2S(=O)(=O)c2ccc(NC(=O)Nc3ccc(cc3)C(F)(F)F)cc2)CC1 |r|
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1.94E+3n/an/an/an/an/an/a


TBA

Assay Description
Determine the binding ability of BRD4 compounds to bromodomains of BRD2 and BRD4. 96 well plate based commercial TR-FRET Assay kits (Cayman Chemical,...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2TT4V40
More data for this
Ligand-Target Pair
Bromodomain testis-specific protein [287-359]


(Homo sapiens (Human))
BDBM518799
PNG
(US11117865, Compound ZL0591)
Show SMILES OC1CCN(C[C@@H]2CCCN2S(=O)(=O)c2ccc(NC(=O)Nc3ccc(cc3)C(F)(F)F)cc2)CC1 |r|
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1.95E+3n/an/an/an/an/an/a


TBA

Assay Description
Determine the binding ability of BRD4 compounds to bromodomains of BRD2 and BRD4. 96 well plate based commercial TR-FRET Assay kits (Cayman Chemical,...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2TT4V40
More data for this
Ligand-Target Pair
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