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Compile Data Set for Download or QSAR

Found 44 hits Enz. Inhib. hit(s) with all data for entry = 50043410   
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))
BDBM50380682
PNG
(CHEMBL2017291 | I-BET151 (16))
Show SMILES COc1cc2c3n([C@H](C)c4ccccn4)c(=O)[nH]c3cnc2cc1-c1c(C)noc1C
Show InChI InChI=1S/C23H21N5O3/c1-12-21(14(3)31-27-12)16-9-18-15(10-20(16)30-4)22-19(11-25-18)26-23(29)28(22)13(2)17-7-5-6-8-24-17/h5-11,13H,1-4H3,(H,26,29)/t13-/m1/s1
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n/an/a 18n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of His-FLAG-tagged BRD4 binding domain1 (unknown origin) binding to H4-TetraAc-biotin peptide after 20 mins by AlphaLISA


Citation and Details

Article DOI: 10.1021/ml4001485
BindingDB Entry DOI: 10.7270/Q2DV1MB8
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50365262
PNG
( (S)-JQ1 (1) | CHEMBL1957266 | JQ1 | US10124009, C...)
Show SMILES Cc1nnc2[C@H](CC(=O)OC(C)(C)C)N=C(c3c(C)c(C)sc3-n12)c1ccc(Cl)cc1
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 24n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of His-FLAG-tagged BRD4 binding domain1 (unknown origin) binding to H4-TetraAc-biotin peptide after 20 mins by AlphaLISA


Citation and Details

Article DOI: 10.1021/ml4001485
BindingDB Entry DOI: 10.7270/Q2DV1MB8
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50440727
PNG
(CHEMBL2431090)
Show SMILES Cc1noc2[C@H](CC(N)=O)N=C(c3c(C)c(C)sc3-c12)c1ccc(Cl)cc1
Show InChI InChI=1S/C20H18ClN3O2S/c1-9-11(3)27-20-16(9)18(12-4-6-13(21)7-5-12)23-14(8-15(22)25)19-17(20)10(2)24-26-19/h4-7,14H,8H2,1-3H3,(H2,22,25)/t14-/m0/s1
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n/an/a 26n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of His-FLAG-tagged BRD4 binding domain1 (unknown origin) binding to H4-TetraAc-biotin peptide after 20 mins by AlphaLISA


Citation and Details

Article DOI: 10.1021/ml4001485
BindingDB Entry DOI: 10.7270/Q2DV1MB8
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50440718
PNG
(CHEMBL2431078)
Show SMILES Cc1noc2[C@H](CC(N)=O)N=C(c3c(C)c(C)sc3-c12)c1ccccc1
Show InChI InChI=1S/C20H19N3O2S/c1-10-12(3)26-20-16(10)18(13-7-5-4-6-8-13)22-14(9-15(21)24)19-17(20)11(2)23-25-19/h4-8,14H,9H2,1-3H3,(H2,21,24)/t14-/m0/s1
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n/an/a 29n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of His-FLAG-tagged BRD4 binding domain1 (unknown origin) binding to H4-TetraAc-biotin peptide after 20 mins by AlphaLISA


Citation and Details

Article DOI: 10.1021/ml4001485
BindingDB Entry DOI: 10.7270/Q2DV1MB8
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50440717
PNG
(CHEMBL2431079)
Show SMILES Cc1noc2[C@H](CC(N)=O)N=C(c3c(C)c(C)sc3-c12)c1ccc(cc1)C#N
Show InChI InChI=1S/C21H18N4O2S/c1-10-12(3)28-21-17(10)19(14-6-4-13(9-22)5-7-14)24-15(8-16(23)26)20-18(21)11(2)25-27-20/h4-7,15H,8H2,1-3H3,(H2,23,26)/t15-/m0/s1
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n/an/a 33n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of His-FLAG-tagged BRD4 binding domain1 (unknown origin) binding to H4-TetraAc-biotin peptide after 20 mins by AlphaLISA


Citation and Details

Article DOI: 10.1021/ml4001485
BindingDB Entry DOI: 10.7270/Q2DV1MB8
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50440726
PNG
(CHEMBL2431091)
Show SMILES CCNC(=O)C[C@@H]1N=C(c2c(C)c(C)sc2-c2c(C)noc12)c1ccc(Cl)cc1
Show InChI InChI=1S/C22H22ClN3O2S/c1-5-24-17(27)10-16-21-19(12(3)26-28-21)22-18(11(2)13(4)29-22)20(25-16)14-6-8-15(23)9-7-14/h6-9,16H,5,10H2,1-4H3,(H,24,27)/t16-/m0/s1
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n/an/a 36n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of His-FLAG-tagged BRD4 binding domain1 (unknown origin) binding to H4-TetraAc-biotin peptide after 20 mins by AlphaLISA


Citation and Details

Article DOI: 10.1021/ml4001485
BindingDB Entry DOI: 10.7270/Q2DV1MB8
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50440716
PNG
(CHEMBL2431080)
Show SMILES Cc1noc2[C@H](CC(N)=O)N=C(c3c(C)c(C)sc3-c12)c1ccc(Cl)cc1C
Show InChI InChI=1S/C21H20ClN3O2S/c1-9-7-13(22)5-6-14(9)19-17-10(2)12(4)28-21(17)18-11(3)25-27-20(18)15(24-19)8-16(23)26/h5-7,15H,8H2,1-4H3,(H2,23,26)/t15-/m0/s1
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n/an/a 42n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of His-FLAG-tagged BRD4 binding domain1 (unknown origin) binding to H4-TetraAc-biotin peptide after 20 mins by AlphaLISA


Citation and Details

Article DOI: 10.1021/ml4001485
BindingDB Entry DOI: 10.7270/Q2DV1MB8
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50365262
PNG
( (S)-JQ1 (1) | CHEMBL1957266 | JQ1 | US10124009, C...)
Show SMILES Cc1nnc2[C@H](CC(=O)OC(C)(C)C)N=C(c3c(C)c(C)sc3-n12)c1ccc(Cl)cc1
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


TBA

Assay Description
Inhibition of BRD4 in human Raji cells assessed as reduction of MYC expression after 4 hrs


Citation and Details

Article DOI: 10.1021/ml4001485
BindingDB Entry DOI: 10.7270/Q2DV1MB8
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50440715
PNG
(CHEMBL2431081)
Show SMILES Cc1noc2[C@H](CC(N)=O)N=C(c3c(C)c(C)sc3-c12)c1ccc(Cl)cn1
Show InChI InChI=1S/C19H17ClN4O2S/c1-8-10(3)27-19-15(8)17(12-5-4-11(20)7-22-12)23-13(6-14(21)25)18-16(19)9(2)24-26-18/h4-5,7,13H,6H2,1-3H3,(H2,21,25)/t13-/m0/s1
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n/an/a 72n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of His-FLAG-tagged BRD4 binding domain1 (unknown origin) binding to H4-TetraAc-biotin peptide after 20 mins by AlphaLISA


Citation and Details

Article DOI: 10.1021/ml4001485
BindingDB Entry DOI: 10.7270/Q2DV1MB8
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50440734
PNG
(CHEMBL2431082)
Show SMILES Cc1noc2[C@H](CC(N)=O)N=C(c3c(C)c(C)sc3-c12)c1ccc(N)nc1
Show InChI InChI=1S/C19H19N5O2S/c1-8-10(3)27-19-15(8)17(11-4-5-13(20)22-7-11)23-12(6-14(21)25)18-16(19)9(2)24-26-18/h4-5,7,12H,6H2,1-3H3,(H2,20,22)(H2,21,25)/t12-/m0/s1
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n/an/a 73n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of His-FLAG-tagged BRD4 binding domain1 (unknown origin) binding to H4-TetraAc-biotin peptide after 20 mins by AlphaLISA


Citation and Details

Article DOI: 10.1021/ml4001485
BindingDB Entry DOI: 10.7270/Q2DV1MB8
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50440720
PNG
(CHEMBL2431076)
Show SMILES Cc1noc2[C@H](CC(N)=O)N=C(c3c(C)c(C)sc3-c12)c1cccc(Cl)c1
Show InChI InChI=1S/C20H18ClN3O2S/c1-9-11(3)27-20-16(9)18(12-5-4-6-13(21)7-12)23-14(8-15(22)25)19-17(20)10(2)24-26-19/h4-7,14H,8H2,1-3H3,(H2,22,25)/t14-/m0/s1
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TBA

Assay Description
Inhibition of His-FLAG-tagged BRD4 binding domain1 (unknown origin) binding to H4-TetraAc-biotin peptide after 20 mins by AlphaLISA


Citation and Details

Article DOI: 10.1021/ml4001485
BindingDB Entry DOI: 10.7270/Q2DV1MB8
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50440725
PNG
(CHEMBL2431093)
Show SMILES COC(=O)NC[C@@H]1N=C(c2c(C)c(C)sc2-c2c(C)noc12)c1ccc(Cl)cc1
Show InChI InChI=1S/C21H20ClN3O3S/c1-10-12(3)29-20-16(10)18(13-5-7-14(22)8-6-13)24-15(9-23-21(26)27-4)19-17(20)11(2)25-28-19/h5-8,15H,9H2,1-4H3,(H,23,26)/t15-/m0/s1
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TBA

Assay Description
Inhibition of His-FLAG-tagged BRD4 binding domain1 (unknown origin) binding to H4-TetraAc-biotin peptide after 20 mins by AlphaLISA


Citation and Details

Article DOI: 10.1021/ml4001485
BindingDB Entry DOI: 10.7270/Q2DV1MB8
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50440717
PNG
(CHEMBL2431079)
Show SMILES Cc1noc2[C@H](CC(N)=O)N=C(c3c(C)c(C)sc3-c12)c1ccc(cc1)C#N
Show InChI InChI=1S/C21H18N4O2S/c1-10-12(3)28-21-17(10)19(14-6-4-13(9-22)5-7-14)24-15(8-16(23)26)20-18(21)11(2)25-27-20/h4-7,15H,8H2,1-3H3,(H2,23,26)/t15-/m0/s1
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TBA

Assay Description
Inhibition of BRD4 in human Raji cells assessed as reduction of MYC expression after 4 hrs


Citation and Details

Article DOI: 10.1021/ml4001485
BindingDB Entry DOI: 10.7270/Q2DV1MB8
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
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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n/an/a 120n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of His-FLAG-tagged BRD4 binding domain1 (unknown origin) binding to H4-TetraAc-biotin peptide after 20 mins by AlphaLISA


Citation and Details

Article DOI: 10.1021/ml4001485
BindingDB Entry DOI: 10.7270/Q2DV1MB8
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50380682
PNG
(CHEMBL2017291 | I-BET151 (16))
Show SMILES COc1cc2c3n([C@H](C)c4ccccn4)c(=O)[nH]c3cnc2cc1-c1c(C)noc1C
Show InChI InChI=1S/C23H21N5O3/c1-12-21(14(3)31-27-12)16-9-18-15(10-20(16)30-4)22-19(11-25-18)26-23(29)28(22)13(2)17-7-5-6-8-24-17/h5-11,13H,1-4H3,(H,26,29)/t13-/m1/s1
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TBA

Assay Description
Inhibition of BRD4 in human Raji cells assessed as reduction of MYC expression after 4 hrs


Citation and Details

Article DOI: 10.1021/ml4001485
BindingDB Entry DOI: 10.7270/Q2DV1MB8
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50440727
PNG
(CHEMBL2431090)
Show SMILES Cc1noc2[C@H](CC(N)=O)N=C(c3c(C)c(C)sc3-c12)c1ccc(Cl)cc1
Show InChI InChI=1S/C20H18ClN3O2S/c1-9-11(3)27-20-16(9)18(12-4-6-13(21)7-5-12)23-14(8-15(22)25)19-17(20)10(2)24-26-19/h4-7,14H,8H2,1-3H3,(H2,22,25)/t14-/m0/s1
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TBA

Assay Description
Inhibition of BRD4 in human Raji cells assessed as reduction of MYC expression after 4 hrs


Citation and Details

Article DOI: 10.1021/ml4001485
BindingDB Entry DOI: 10.7270/Q2DV1MB8
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50440716
PNG
(CHEMBL2431080)
Show SMILES Cc1noc2[C@H](CC(N)=O)N=C(c3c(C)c(C)sc3-c12)c1ccc(Cl)cc1C
Show InChI InChI=1S/C21H20ClN3O2S/c1-9-7-13(22)5-6-14(9)19-17-10(2)12(4)28-21(17)18-11(3)25-27-20(18)15(24-19)8-16(23)26/h5-7,15H,8H2,1-4H3,(H2,23,26)/t15-/m0/s1
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TBA

Assay Description
Inhibition of BRD4 in human Raji cells assessed as reduction of MYC expression after 4 hrs


Citation and Details

Article DOI: 10.1021/ml4001485
BindingDB Entry DOI: 10.7270/Q2DV1MB8
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50440718
PNG
(CHEMBL2431078)
Show SMILES Cc1noc2[C@H](CC(N)=O)N=C(c3c(C)c(C)sc3-c12)c1ccccc1
Show InChI InChI=1S/C20H19N3O2S/c1-10-12(3)26-20-16(10)18(13-7-5-4-6-8-13)22-14(9-15(21)24)19-17(20)11(2)23-25-19/h4-8,14H,9H2,1-3H3,(H2,21,24)/t14-/m0/s1
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TBA

Assay Description
Inhibition of BRD4 in human Raji cells assessed as reduction of MYC expression after 4 hrs


Citation and Details

Article DOI: 10.1021/ml4001485
BindingDB Entry DOI: 10.7270/Q2DV1MB8
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50440724
PNG
(CHEMBL2431094)
Show SMILES CC(=O)NC[C@@H]1N=C(c2c(C)c(C)sc2-c2c(C)noc12)c1ccc(Cl)cc1
Show InChI InChI=1S/C21H20ClN3O2S/c1-10-12(3)28-21-17(10)19(14-5-7-15(22)8-6-14)24-16(9-23-13(4)26)20-18(21)11(2)25-27-20/h5-8,16H,9H2,1-4H3,(H,23,26)/t16-/m0/s1
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TBA

Assay Description
Inhibition of His-FLAG-tagged BRD4 binding domain1 (unknown origin) binding to H4-TetraAc-biotin peptide after 20 mins by AlphaLISA


Citation and Details

Article DOI: 10.1021/ml4001485
BindingDB Entry DOI: 10.7270/Q2DV1MB8
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50440722
PNG
(CHEMBL2431074)
Show SMILES Cc1noc2[C@H](Cc3nccs3)N=C(c3c(C)c(C)sc3-c12)c1ccc(Cl)cc1
Show InChI InChI=1S/C22H18ClN3OS2/c1-11-13(3)29-22-18(11)20(14-4-6-15(23)7-5-14)25-16(10-17-24-8-9-28-17)21-19(22)12(2)26-27-21/h4-9,16H,10H2,1-3H3/t16-/m0/s1
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n/an/a 190n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of His-FLAG-tagged BRD4 binding domain1 (unknown origin) binding to H4-TetraAc-biotin peptide after 20 mins by AlphaLISA


Citation and Details

Article DOI: 10.1021/ml4001485
BindingDB Entry DOI: 10.7270/Q2DV1MB8
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
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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n/an/a 190n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of BRD4 in human Raji cells assessed as reduction of MYC expression after 4 hrs


Citation and Details

Article DOI: 10.1021/ml4001485
BindingDB Entry DOI: 10.7270/Q2DV1MB8
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50440723
PNG
(CHEMBL2431073)
Show SMILES Cc1noc2[C@H](Cc3ncc[nH]3)N=C(c3c(C)c(C)sc3-c12)c1ccc(Cl)cc1
Show InChI InChI=1S/C22H19ClN4OS/c1-11-13(3)29-22-18(11)20(14-4-6-15(23)7-5-14)26-16(10-17-24-8-9-25-17)21-19(22)12(2)27-28-21/h4-9,16H,10H2,1-3H3,(H,24,25)/t16-/m0/s1
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n/an/a 200n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of His-FLAG-tagged BRD4 binding domain1 (unknown origin) binding to H4-TetraAc-biotin peptide after 20 mins by AlphaLISA


Citation and Details

Article DOI: 10.1021/ml4001485
BindingDB Entry DOI: 10.7270/Q2DV1MB8
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50440715
PNG
(CHEMBL2431081)
Show SMILES Cc1noc2[C@H](CC(N)=O)N=C(c3c(C)c(C)sc3-c12)c1ccc(Cl)cn1
Show InChI InChI=1S/C19H17ClN4O2S/c1-8-10(3)27-19-15(8)17(12-5-4-11(20)7-22-12)23-13(6-14(21)25)18-16(19)9(2)24-26-18/h4-5,7,13H,6H2,1-3H3,(H2,21,25)/t13-/m0/s1
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n/an/a 240n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of BRD4 in human Raji cells assessed as reduction of MYC expression after 4 hrs


Citation and Details

Article DOI: 10.1021/ml4001485
BindingDB Entry DOI: 10.7270/Q2DV1MB8
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50440719
PNG
(CHEMBL2431077)
Show SMILES Cc1noc2[C@H](CC(N)=O)N=C(c3c(C)c(C)sc3-c12)c1ccccc1Cl
Show InChI InChI=1S/C20H18ClN3O2S/c1-9-11(3)27-20-16(9)18(12-6-4-5-7-13(12)21)23-14(8-15(22)25)19-17(20)10(2)24-26-19/h4-7,14H,8H2,1-3H3,(H2,22,25)/t14-/m0/s1
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n/an/a 250n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of His-FLAG-tagged BRD4 binding domain1 (unknown origin) binding to H4-TetraAc-biotin peptide after 20 mins by AlphaLISA


Citation and Details

Article DOI: 10.1021/ml4001485
BindingDB Entry DOI: 10.7270/Q2DV1MB8
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50440721
PNG
(CHEMBL2431075)
Show SMILES C[C@H]([C@@H]1N=C(c2c(C)c(C)sc2-c2c(C)noc12)c1ccc(cc1)C#N)C(N)=O
Show InChI InChI=1S/C22H20N4O2S/c1-10-13(4)29-21-16(10)19(15-7-5-14(9-23)6-8-15)25-18(11(2)22(24)27)20-17(21)12(3)26-28-20/h5-8,11,18H,1-4H3,(H2,24,27)/t11-,18+/m1/s1
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n/an/a 250n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of His-FLAG-tagged BRD4 binding domain1 (unknown origin) binding to H4-TetraAc-biotin peptide after 20 mins by AlphaLISA


Citation and Details

Article DOI: 10.1021/ml4001485
BindingDB Entry DOI: 10.7270/Q2DV1MB8
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50440728
PNG
(CHEMBL2431089)
Show SMILES Cc1noc2[C@H](CC(=O)OC(C)(C)C)N=C(c3c(C)c(C)sc3-c12)c1ccc(Cl)cc1
Show InChI InChI=1S/C24H25ClN2O3S/c1-12-14(3)31-23-19(12)21(15-7-9-16(25)10-8-15)26-17(11-18(28)29-24(4,5)6)22-20(23)13(2)27-30-22/h7-10,17H,11H2,1-6H3/t17-/m0/s1
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n/an/a 290n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of His-FLAG-tagged BRD4 binding domain1 (unknown origin) binding to H4-TetraAc-biotin peptide after 20 mins by AlphaLISA


Citation and Details

Article DOI: 10.1021/ml4001485
BindingDB Entry DOI: 10.7270/Q2DV1MB8
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50440731
PNG
(CHEMBL2431085)
Show SMILES CCCC1=N[C@@H](CC(N)=O)c2onc(C)c2-c2sc(C)c(C)c12
Show InChI InChI=1S/C17H21N3O2S/c1-5-6-11-14-8(2)10(4)23-17(14)15-9(3)20-22-16(15)12(19-11)7-13(18)21/h12H,5-7H2,1-4H3,(H2,18,21)/t12-/m0/s1
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n/an/a 300n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of His-FLAG-tagged BRD4 binding domain1 (unknown origin) binding to H4-TetraAc-biotin peptide after 20 mins by AlphaLISA


Citation and Details

Article DOI: 10.1021/ml4001485
BindingDB Entry DOI: 10.7270/Q2DV1MB8
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50440726
PNG
(CHEMBL2431091)
Show SMILES CCNC(=O)C[C@@H]1N=C(c2c(C)c(C)sc2-c2c(C)noc12)c1ccc(Cl)cc1
Show InChI InChI=1S/C22H22ClN3O2S/c1-5-24-17(27)10-16-21-19(12(3)26-28-21)22-18(11(2)13(4)29-22)20(25-16)14-6-8-15(23)9-7-14/h6-9,16H,5,10H2,1-4H3,(H,24,27)/t16-/m0/s1
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n/an/a 320n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of BRD4 in human Raji cells assessed as reduction of MYC expression after 4 hrs


Citation and Details

Article DOI: 10.1021/ml4001485
BindingDB Entry DOI: 10.7270/Q2DV1MB8
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50440734
PNG
(CHEMBL2431082)
Show SMILES Cc1noc2[C@H](CC(N)=O)N=C(c3c(C)c(C)sc3-c12)c1ccc(N)nc1
Show InChI InChI=1S/C19H19N5O2S/c1-8-10(3)27-19-15(8)17(11-4-5-13(20)22-7-11)23-12(6-14(21)25)18-16(19)9(2)24-26-18/h4-5,7,12H,6H2,1-3H3,(H2,20,22)(H2,21,25)/t12-/m0/s1
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n/an/a 380n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of BRD4 in human Raji cells assessed as reduction of MYC expression after 4 hrs


Citation and Details

Article DOI: 10.1021/ml4001485
BindingDB Entry DOI: 10.7270/Q2DV1MB8
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50440720
PNG
(CHEMBL2431076)
Show SMILES Cc1noc2[C@H](CC(N)=O)N=C(c3c(C)c(C)sc3-c12)c1cccc(Cl)c1
Show InChI InChI=1S/C20H18ClN3O2S/c1-9-11(3)27-20-16(9)18(12-5-4-6-13(21)7-12)23-14(8-15(22)25)19-17(20)10(2)24-26-19/h4-7,14H,8H2,1-3H3,(H2,22,25)/t14-/m0/s1
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n/an/a 470n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of BRD4 in human Raji cells assessed as reduction of MYC expression after 4 hrs


Citation and Details

Article DOI: 10.1021/ml4001485
BindingDB Entry DOI: 10.7270/Q2DV1MB8
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50440721
PNG
(CHEMBL2431075)
Show SMILES C[C@H]([C@@H]1N=C(c2c(C)c(C)sc2-c2c(C)noc12)c1ccc(cc1)C#N)C(N)=O
Show InChI InChI=1S/C22H20N4O2S/c1-10-13(4)29-21-16(10)19(15-7-5-14(9-23)6-8-15)25-18(11(2)22(24)27)20-17(21)12(3)26-28-20/h5-8,11,18H,1-4H3,(H2,24,27)/t11-,18+/m1/s1
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n/an/a 710n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of BRD4 in human Raji cells assessed as reduction of MYC expression after 4 hrs


Citation and Details

Article DOI: 10.1021/ml4001485
BindingDB Entry DOI: 10.7270/Q2DV1MB8
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50440730
PNG
(CHEMBL2431086)
Show SMILES Cc1noc2[C@H](CC(N)=O)N=C(N3CCOCC3)c3c(C)c(C)sc3-c12
Show InChI InChI=1S/C18H22N4O3S/c1-9-11(3)26-17-14(9)18(22-4-6-24-7-5-22)20-12(8-13(19)23)16-15(17)10(2)21-25-16/h12H,4-8H2,1-3H3,(H2,19,23)/t12-/m0/s1
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n/an/a 1.10E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of His-FLAG-tagged BRD4 binding domain1 (unknown origin) binding to H4-TetraAc-biotin peptide after 20 mins by AlphaLISA


Citation and Details

Article DOI: 10.1021/ml4001485
BindingDB Entry DOI: 10.7270/Q2DV1MB8
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50440731
PNG
(CHEMBL2431085)
Show SMILES CCCC1=N[C@@H](CC(N)=O)c2onc(C)c2-c2sc(C)c(C)c12
Show InChI InChI=1S/C17H21N3O2S/c1-5-6-11-14-8(2)10(4)23-17(14)15-9(3)20-22-16(15)12(19-11)7-13(18)21/h12H,5-7H2,1-4H3,(H2,18,21)/t12-/m0/s1
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n/an/a 1.50E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of BRD4 in human Raji cells assessed as reduction of MYC expression after 4 hrs


Citation and Details

Article DOI: 10.1021/ml4001485
BindingDB Entry DOI: 10.7270/Q2DV1MB8
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50440719
PNG
(CHEMBL2431077)
Show SMILES Cc1noc2[C@H](CC(N)=O)N=C(c3c(C)c(C)sc3-c12)c1ccccc1Cl
Show InChI InChI=1S/C20H18ClN3O2S/c1-9-11(3)27-20-16(9)18(12-6-4-5-7-13(12)21)23-14(8-15(22)25)19-17(20)10(2)24-26-19/h4-7,14H,8H2,1-3H3,(H2,22,25)/t14-/m0/s1
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n/an/a 1.90E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of BRD4 in human Raji cells assessed as reduction of MYC expression after 4 hrs


Citation and Details

Article DOI: 10.1021/ml4001485
BindingDB Entry DOI: 10.7270/Q2DV1MB8
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50440725
PNG
(CHEMBL2431093)
Show SMILES COC(=O)NC[C@@H]1N=C(c2c(C)c(C)sc2-c2c(C)noc12)c1ccc(Cl)cc1
Show InChI InChI=1S/C21H20ClN3O3S/c1-10-12(3)29-20-16(10)18(13-5-7-14(22)8-6-13)24-15(9-23-21(26)27-4)19-17(20)11(2)25-28-19/h5-8,15H,9H2,1-4H3,(H,23,26)/t15-/m0/s1
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n/an/a 1.90E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of BRD4 in human Raji cells assessed as reduction of MYC expression after 4 hrs


Citation and Details

Article DOI: 10.1021/ml4001485
BindingDB Entry DOI: 10.7270/Q2DV1MB8
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50440722
PNG
(CHEMBL2431074)
Show SMILES Cc1noc2[C@H](Cc3nccs3)N=C(c3c(C)c(C)sc3-c12)c1ccc(Cl)cc1
Show InChI InChI=1S/C22H18ClN3OS2/c1-11-13(3)29-22-18(11)20(14-4-6-15(23)7-5-14)25-16(10-17-24-8-9-28-17)21-19(22)12(2)26-27-21/h4-9,16H,10H2,1-3H3/t16-/m0/s1
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n/an/a 2.10E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of BRD4 in human Raji cells assessed as reduction of MYC expression after 4 hrs


Citation and Details

Article DOI: 10.1021/ml4001485
BindingDB Entry DOI: 10.7270/Q2DV1MB8
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50440728
PNG
(CHEMBL2431089)
Show SMILES Cc1noc2[C@H](CC(=O)OC(C)(C)C)N=C(c3c(C)c(C)sc3-c12)c1ccc(Cl)cc1
Show InChI InChI=1S/C24H25ClN2O3S/c1-12-14(3)31-23-19(12)21(15-7-9-16(25)10-8-15)26-17(11-18(28)29-24(4,5)6)22-20(23)13(2)27-30-22/h7-10,17H,11H2,1-6H3/t17-/m0/s1
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n/an/a 2.10E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of BRD4 in human Raji cells assessed as reduction of MYC expression after 4 hrs


Citation and Details

Article DOI: 10.1021/ml4001485
BindingDB Entry DOI: 10.7270/Q2DV1MB8
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50440735
PNG
(CHEMBL2431092)
Show SMILES CCNC(=O)C[C@H]1N=C(c2c(C)c(C)sc2-c2c(C)noc12)c1ccc(Cl)cc1
Show InChI InChI=1S/C22H22ClN3O2S/c1-5-24-17(27)10-16-21-19(12(3)26-28-21)22-18(11(2)13(4)29-22)20(25-16)14-6-8-15(23)9-7-14/h6-9,16H,5,10H2,1-4H3,(H,24,27)/t16-/m1/s1
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n/an/a 2.10E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of His-FLAG-tagged BRD4 binding domain1 (unknown origin) binding to H4-TetraAc-biotin peptide after 20 mins by AlphaLISA


Citation and Details

Article DOI: 10.1021/ml4001485
BindingDB Entry DOI: 10.7270/Q2DV1MB8
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50440724
PNG
(CHEMBL2431094)
Show SMILES CC(=O)NC[C@@H]1N=C(c2c(C)c(C)sc2-c2c(C)noc12)c1ccc(Cl)cc1
Show InChI InChI=1S/C21H20ClN3O2S/c1-10-12(3)28-21-17(10)19(14-5-7-15(22)8-6-14)24-16(9-23-13(4)26)20-18(21)11(2)25-27-20/h5-8,16H,9H2,1-4H3,(H,23,26)/t16-/m0/s1
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n/an/a 2.20E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of BRD4 in human Raji cells assessed as reduction of MYC expression after 4 hrs


Citation and Details

Article DOI: 10.1021/ml4001485
BindingDB Entry DOI: 10.7270/Q2DV1MB8
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50440733
PNG
(CHEMBL2431083)
Show SMILES Cc1noc2[C@H](CC(N)=O)N=C(c3c(C)c(C)sc3-c12)c1cncnc1
Show InChI InChI=1S/C18H17N5O2S/c1-8-10(3)26-18-14(8)16(11-5-20-7-21-6-11)22-12(4-13(19)24)17-15(18)9(2)23-25-17/h5-7,12H,4H2,1-3H3,(H2,19,24)/t12-/m0/s1
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n/an/a 2.50E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of His-FLAG-tagged BRD4 binding domain1 (unknown origin) binding to H4-TetraAc-biotin peptide after 20 mins by AlphaLISA


Citation and Details

Article DOI: 10.1021/ml4001485
BindingDB Entry DOI: 10.7270/Q2DV1MB8
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50440723
PNG
(CHEMBL2431073)
Show SMILES Cc1noc2[C@H](Cc3ncc[nH]3)N=C(c3c(C)c(C)sc3-c12)c1ccc(Cl)cc1
Show InChI InChI=1S/C22H19ClN4OS/c1-11-13(3)29-22-18(11)20(14-4-6-15(23)7-5-14)26-16(10-17-24-8-9-25-17)21-19(22)12(2)27-28-21/h4-9,16H,10H2,1-3H3,(H,24,25)/t16-/m0/s1
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n/an/a 3.60E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of BRD4 in human Raji cells assessed as reduction of MYC expression after 4 hrs


Citation and Details

Article DOI: 10.1021/ml4001485
BindingDB Entry DOI: 10.7270/Q2DV1MB8
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50440732
PNG
(CHEMBL2431084)
Show SMILES Cc1noc2[C@H](CC(N)=O)N=C(Cc3ccccc3)c3c(C)c(C)sc3-c12
Show InChI InChI=1S/C21H21N3O2S/c1-11-13(3)27-21-18(11)15(9-14-7-5-4-6-8-14)23-16(10-17(22)25)20-19(21)12(2)24-26-20/h4-8,16H,9-10H2,1-3H3,(H2,22,25)/t16-/m0/s1
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n/an/a 5.70E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of His-FLAG-tagged BRD4 binding domain1 (unknown origin) binding to H4-TetraAc-biotin peptide after 20 mins by AlphaLISA


Citation and Details

Article DOI: 10.1021/ml4001485
BindingDB Entry DOI: 10.7270/Q2DV1MB8
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50440729
PNG
(CHEMBL2431087)
Show SMILES Cc1noc2[C@H](CC(N)=O)N=C(C3CCOCC3)c3c(C)c(C)sc3-c12
Show InChI InChI=1S/C19H23N3O3S/c1-9-11(3)26-19-15(9)17(12-4-6-24-7-5-12)21-13(8-14(20)23)18-16(19)10(2)22-25-18/h12-13H,4-8H2,1-3H3,(H2,20,23)/t13-/m0/s1
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n/an/a 6.20E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of His-FLAG-tagged BRD4 binding domain1 (unknown origin) binding to H4-TetraAc-biotin peptide after 20 mins by AlphaLISA


Citation and Details

Article DOI: 10.1021/ml4001485
BindingDB Entry DOI: 10.7270/Q2DV1MB8
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50440736
PNG
(CHEMBL2431088)
Show SMILES Cc1noc(N)c1-c1ccccc1
Show InChI InChI=1S/C10H10N2O/c1-7-9(10(11)13-12-7)8-5-3-2-4-6-8/h2-6H,11H2,1H3
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n/an/a 3.30E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of His-FLAG-tagged BRD4 binding domain1 (unknown origin) binding to H4-TetraAc-biotin peptide after 20 mins by AlphaLISA


Citation and Details

Article DOI: 10.1021/ml4001485
BindingDB Entry DOI: 10.7270/Q2DV1MB8
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)