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Compile Data Set for Download or QSAR

Found 163 hits with Last Name = 'derviaux' and Initial = 'c'   
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 3


(Homo sapiens (Human))
BDBM50586222
PNG
(CHEMBL5082786)
Show SMILES CC(=O)N1CCc2c(C1)sc1nc(SCC(=O)Nc3cccnc3C)n(Cc3ccco3)c(=O)c21
PDB

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TBA

Assay Description
Inhibition of BRD3-BD2 (unknown origin) incubated for 6 hrs by HTRF method


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c02168
BindingDB Entry DOI: 10.7270/Q20Z7752
More data for this
Ligand-Target Pair
Bromodomain-containing protein 2


(Homo sapiens (Human))
BDBM50586222
PNG
(CHEMBL5082786)
Show SMILES CC(=O)N1CCc2c(C1)sc1nc(SCC(=O)Nc3cccnc3C)n(Cc3ccco3)c(=O)c21
PDB

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TBA

Assay Description
Inhibition of BRD2-BD2 (unknown origin) incubated for 6 hrs by HTRF method


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c02168
BindingDB Entry DOI: 10.7270/Q20Z7752
More data for this
Ligand-Target Pair
Bromodomain-containing protein 3


(Homo sapiens (Human))
BDBM50543359
PNG
(GSK620)
Show SMILES CNC(=O)c1cc(cn(Cc2ccccc2)c1=O)C(=O)NC1CC1
Show InChI InChI=1S/C18H19N3O3/c1-19-17(23)15-9-13(16(22)20-14-7-8-14)11-21(18(15)24)10-12-5-3-2-4-6-12/h2-6,9,11,14H,7-8,10H2,1H3,(H,19,23)(H,20,22)
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TBA

Assay Description
Inhibition of BRD3-BD2 (unknown origin) assessed as dissociation constant by TR-FRET method


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c02168
BindingDB Entry DOI: 10.7270/Q20Z7752
More data for this
Ligand-Target Pair
Bromodomain-containing protein 3


(Homo sapiens (Human))
BDBM50586230
PNG
(CHEMBL5081350)
Show SMILES COc1ccccc1NC(=O)CSc1nc2sc3CN(CCc3c2c(=O)n1Cc1ccco1)C(C)=O
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TBA

Assay Description
Inhibition of BRD3-BD2 (unknown origin) incubated for 6 hrs by HTRF method


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c02168
BindingDB Entry DOI: 10.7270/Q20Z7752
More data for this
Ligand-Target Pair
Bromodomain-containing protein 3


(Homo sapiens (Human))
BDBM50586215
PNG
(CHEMBL5080392)
Show SMILES CC(=O)N1CCc2c(C1)sc1nc(SCC(=O)Nc3cc(Cl)ccc3C)n(Cc3ccco3)c(=O)c21
PDB

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TBA

Assay Description
Inhibition of BRD3-BD2 (unknown origin) incubated for 6 hrs by HTRF method


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c02168
BindingDB Entry DOI: 10.7270/Q20Z7752
More data for this
Ligand-Target Pair
Bromodomain-containing protein 3


(Homo sapiens (Human))
BDBM50544300
PNG
(GSK046)
Show SMILES C[C@H](Oc1cc(cc(F)c1NC(C)=O)C(=O)N[C@H]1CC[C@H](O)CC1)c1ccccc1 |wU:20.21,1.0,wD:17.17,(8.38,-8.55,;8.38,-7.03,;9.68,-6.27,;11.08,-7.03,;11.08,-8.55,;12.38,-9.42,;13.78,-8.55,;13.78,-7.03,;15.08,-6.27,;12.38,-6.27,;12.38,-4.64,;13.78,-3.88,;15.08,-4.64,;13.78,-2.36,;12.38,-10.94,;11.08,-11.7,;13.78,-11.7,;15.08,-10.94,;16.48,-11.7,;17.78,-10.94,;17.78,-9.42,;19.07,-8.55,;16.48,-8.55,;15.08,-9.42,;6.98,-6.27,;6.98,-4.64,;5.69,-3.88,;4.28,-4.64,;4.28,-6.27,;5.69,-7.03,)|
Show InChI InChI=1S/C23H27FN2O4/c1-14(16-6-4-3-5-7-16)30-21-13-17(12-20(24)22(21)25-15(2)27)23(29)26-18-8-10-19(28)11-9-18/h3-7,12-14,18-19,28H,8-11H2,1-2H3,(H,25,27)(H,26,29)/t14-,18-,19-/m0/s1
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TBA

Assay Description
Inhibition of BRD3-BD2 (unknown origin) assessed as dissociation constant by TR-FRET method


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c02168
BindingDB Entry DOI: 10.7270/Q20Z7752
More data for this
Ligand-Target Pair
Bromodomain-containing protein 3


(Homo sapiens (Human))
BDBM50586228
PNG
(CHEMBL5077541)
Show SMILES CC(=O)N1CCc2c(C1)sc1nc(SCC(=O)Nc3ccccc3Cl)n(Cc3ccco3)c(=O)c21
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TBA

Assay Description
Inhibition of BRD3-BD2 (unknown origin) incubated for 6 hrs by HTRF method


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c02168
BindingDB Entry DOI: 10.7270/Q20Z7752
More data for this
Ligand-Target Pair
Bromodomain-containing protein 2


(Homo sapiens (Human))
BDBM50586215
PNG
(CHEMBL5080392)
Show SMILES CC(=O)N1CCc2c(C1)sc1nc(SCC(=O)Nc3cc(Cl)ccc3C)n(Cc3ccco3)c(=O)c21
PDB

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TBA

Assay Description
Inhibition of BRD2-BD2 (unknown origin) incubated for 6 hrs by HTRF method


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c02168
BindingDB Entry DOI: 10.7270/Q20Z7752
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50586222
PNG
(CHEMBL5082786)
Show SMILES CC(=O)N1CCc2c(C1)sc1nc(SCC(=O)Nc3cccnc3C)n(Cc3ccco3)c(=O)c21
PDB

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TBA

Assay Description
Inhibition of BRD4-BD2 (unknown origin) incubated for 6 hrs by HTRF method


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c02168
BindingDB Entry DOI: 10.7270/Q20Z7752
More data for this
Ligand-Target Pair
Bromodomain-containing protein 3


(Homo sapiens (Human))
BDBM50586226
PNG
(CHEMBL5069987)
Show SMILES CC(=O)N1CCc2c(C1)sc1nc(SCC(=O)Nc3ccccc3)n(Cc3ccco3)c(=O)c21
PDB

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TBA

Assay Description
Inhibition of BRD3-BD2 (unknown origin) incubated for 6 hrs by HTRF method


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c02168
BindingDB Entry DOI: 10.7270/Q20Z7752
More data for this
Ligand-Target Pair
Bromodomain-containing protein 3


(Homo sapiens (Human))
BDBM50586236
PNG
(CHEMBL5083228)
Show SMILES CCOc1ccccc1NC(=O)CSc1nc2sc3CN(CCc3c2c(=O)n1Cc1ccco1)C(C)=O
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TBA

Assay Description
Inhibition of BRD3-BD2 (unknown origin) incubated for 6 hrs by HTRF method


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c02168
BindingDB Entry DOI: 10.7270/Q20Z7752
More data for this
Ligand-Target Pair
Bromodomain-containing protein 3


(Homo sapiens (Human))
BDBM50586243
PNG
(CHEMBL5072385)
Show SMILES CC(=O)N1CCc2c(C1)sc1nc(SCC(=O)Nc3cccc(c3)C(C)=O)n(Cc3ccco3)c(=O)c21
PDB

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TBA

Assay Description
Inhibition of BRD3-BD2 (unknown origin) incubated for 6 hrs by HTRF method


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c02168
BindingDB Entry DOI: 10.7270/Q20Z7752
More data for this
Ligand-Target Pair
Bromodomain-containing protein 3


(Homo sapiens (Human))
BDBM50586242
PNG
(CHEMBL5074953)
Show SMILES CC(=O)N1CCc2c(C1)sc1nc(SCC(=O)Nc3cc(F)ccc3F)n(Cc3ccco3)c(=O)c21
PDB

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TBA

Assay Description
Inhibition of BRD3-BD2 (unknown origin) incubated for 6 hrs by HTRF method


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c02168
BindingDB Entry DOI: 10.7270/Q20Z7752
More data for this
Ligand-Target Pair
Bromodomain-containing protein 3


(Homo sapiens (Human))
BDBM50586238
PNG
(CHEMBL5089658)
Show SMILES CC(=O)N1CCc2c(C1)sc1nc(SCC(=O)Nc3ccccc3F)n(Cc3ccco3)c(=O)c21
PDB

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TBA

Assay Description
Inhibition of BRD3-BD2 (unknown origin) incubated for 6 hrs by HTRF method


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c02168
BindingDB Entry DOI: 10.7270/Q20Z7752
More data for this
Ligand-Target Pair
Bromodomain-containing protein 3


(Homo sapiens (Human))
BDBM50586239
PNG
(CHEMBL5094390)
Show SMILES CC(=O)N1CCc2c(C1)sc1nc(SCC(=O)Nc3ccc(C)c(F)c3)n(Cc3ccco3)c(=O)c21
PDB

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TBA

Assay Description
Inhibition of BRD3-BD2 (unknown origin) incubated for 6 hrs by HTRF method


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c02168
BindingDB Entry DOI: 10.7270/Q20Z7752
More data for this
Ligand-Target Pair
Bromodomain-containing protein 3


(Homo sapiens (Human))
BDBM50586233
PNG
(CHEMBL5077199)
Show SMILES CC(=O)N1CCc2c(C1)sc1nc(SCC(=O)Nc3ccccc3C)n(Cc3ccco3)c(=O)c21
PDB

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TBA

Assay Description
Inhibition of BRD3-BD2 (unknown origin) incubated for 6 hrs by HTRF method


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c02168
BindingDB Entry DOI: 10.7270/Q20Z7752
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50465543
PNG
(CHEMBL4278778)
Show SMILES CCn1cnc2n(Cc3ccc(CNS(=O)(=O)c4ccc5NC(=O)CCCc5c4)cc3)c(=O)[nH]c(=O)c12
Show InChI InChI=1S/C25H26N6O5S/c1-2-30-15-26-23-22(30)24(33)29-25(34)31(23)14-17-8-6-16(7-9-17)13-27-37(35,36)19-10-11-20-18(12-19)4-3-5-21(32)28-20/h6-12,15,27H,2-5,13-14H2,1H3,(H,28,32)(H,29,33,34)
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Aix-Marseille University

Curated by ChEMBL


Assay Description
Inhibition of TEV cleavage site-fused-GST tagged BRD4(BD1) (unknown origin) using SGRGK(Ac)CGK(Ac)-GLGK(Ac)GGAK(Ac)RHRKVG-peptide after 3 hrs by HTRF...


J Med Chem 61: 5719-5732 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00653
BindingDB Entry DOI: 10.7270/Q2Q52S95
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50465543
PNG
(CHEMBL4278778)
Show SMILES CCn1cnc2n(Cc3ccc(CNS(=O)(=O)c4ccc5NC(=O)CCCc5c4)cc3)c(=O)[nH]c(=O)c12
Show InChI InChI=1S/C25H26N6O5S/c1-2-30-15-26-23-22(30)24(33)29-25(34)31(23)14-17-8-6-16(7-9-17)13-27-37(35,36)19-10-11-20-18(12-19)4-3-5-21(32)28-20/h6-12,15,27H,2-5,13-14H2,1H3,(H,28,32)(H,29,33,34)
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Aix-Marseille University

Curated by ChEMBL


Assay Description
Inhibition of TEV cleavage site-fused-GST tagged BRD4(BD1) (unknown origin) using SGRGK(Ac)CGK(Ac)-GLGK(Ac)GGAK(Ac)RHRKVG-peptide after 3 hrs by HTRF...


J Med Chem 61: 5719-5732 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00653
BindingDB Entry DOI: 10.7270/Q2Q52S95
More data for this
Ligand-Target Pair
Bromodomain-containing protein 3


(Homo sapiens (Human))
BDBM50586227
PNG
(CHEMBL5079297)
Show SMILES COc1cccc(NC(=O)CSc2nc3sc4CN(CCc4c3c(=O)n2Cc2ccco2)C(C)=O)c1
PDB

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TBA

Assay Description
Inhibition of BRD3-BD2 (unknown origin) incubated for 6 hrs by HTRF method


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c02168
BindingDB Entry DOI: 10.7270/Q20Z7752
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50465544
PNG
(CHEMBL4285802)
Show SMILES CCn1cnc2n(Cc3ccc(CNS(=O)(=O)c4ccc(Oc5ccccc5)cc4)cc3)c(=O)[nH]c(=O)c12
Show InChI InChI=1S/C27H25N5O5S/c1-2-31-18-28-25-24(31)26(33)30-27(34)32(25)17-20-10-8-19(9-11-20)16-29-38(35,36)23-14-12-22(13-15-23)37-21-6-4-3-5-7-21/h3-15,18,29H,2,16-17H2,1H3,(H,30,33,34)
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Aix-Marseille University

Curated by ChEMBL


Assay Description
Inhibition of TEV cleavage site-fused-GST tagged BRD4(BD1) (unknown origin) using SGRGK(Ac)CGK(Ac)-GLGK(Ac)GGAK(Ac)RHRKVG-peptide after 3 hrs by HTRF...


J Med Chem 61: 5719-5732 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00653
BindingDB Entry DOI: 10.7270/Q2Q52S95
More data for this
Ligand-Target Pair
Bromodomain-containing protein 3


(Homo sapiens (Human))
BDBM50586244
PNG
(CHEMBL5086321)
Show SMILES CC(=O)N1CCc2c(C1)sc1nc(SCC(=O)Nc3ccc(cc3)C(C)=O)n(Cc3ccco3)c(=O)c21
PDB

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TBA

Assay Description
Inhibition of BRD3-BD2 (unknown origin) incubated for 6 hrs by HTRF method


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c02168
BindingDB Entry DOI: 10.7270/Q20Z7752
More data for this
Ligand-Target Pair
Bromodomain-containing protein 3


(Homo sapiens (Human))
BDBM50586215
PNG
(CHEMBL5080392)
Show SMILES CC(=O)N1CCc2c(C1)sc1nc(SCC(=O)Nc3cc(Cl)ccc3C)n(Cc3ccco3)c(=O)c21
PDB

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n/an/a 325n/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to human partial length BRD3-BD2 (G306 to P416) expressed in bacterial system assessed as dissociation constant by BROMOscan method


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c02168
BindingDB Entry DOI: 10.7270/Q20Z7752
More data for this
Ligand-Target Pair
Bromodomain-containing protein 3


(Homo sapiens (Human))
BDBM50586237
PNG
(CHEMBL5075819)
Show SMILES CC(=O)N1CCc2c(C1)sc1nc(SCC(=O)Nc3ccc(F)cc3F)n(Cc3ccco3)c(=O)c21
PDB

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TBA

Assay Description
Inhibition of BRD3-BD2 (unknown origin) incubated for 6 hrs by HTRF method


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c02168
BindingDB Entry DOI: 10.7270/Q20Z7752
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50465540
PNG
(CHEMBL4282396)
Show SMILES CCn1cnc2n(Cc3ccc(CNS(=O)(=O)c4ccc5NC(=O)CCc5c4)cc3)c(=O)[nH]c(=O)c12
Show InChI InChI=1S/C24H24N6O5S/c1-2-29-14-25-22-21(29)23(32)28-24(33)30(22)13-16-5-3-15(4-6-16)12-26-36(34,35)18-8-9-19-17(11-18)7-10-20(31)27-19/h3-6,8-9,11,14,26H,2,7,10,12-13H2,1H3,(H,27,31)(H,28,32,33)
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Aix-Marseille University

Curated by ChEMBL


Assay Description
Inhibition of TEV cleavage site-fused-GST tagged BRD4(BD1) (unknown origin) using SGRGK(Ac)CGK(Ac)-GLGK(Ac)GGAK(Ac)RHRKVG-peptide after 3 hrs by HTRF...


J Med Chem 61: 5719-5732 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00653
BindingDB Entry DOI: 10.7270/Q2Q52S95
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50465534
PNG
(CHEMBL4288560)
Show SMILES CCn1cnc2n(Cc3ccc(CNS(=O)(=O)c4ccc(cc4)-c4ccccc4)cc3)c(=O)[nH]c(=O)c12
Show InChI InChI=1S/C27H25N5O4S/c1-2-31-18-28-25-24(31)26(33)30-27(34)32(25)17-20-10-8-19(9-11-20)16-29-37(35,36)23-14-12-22(13-15-23)21-6-4-3-5-7-21/h3-15,18,29H,2,16-17H2,1H3,(H,30,33,34)
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Aix-Marseille University

Curated by ChEMBL


Assay Description
Inhibition of TEV cleavage site-fused-GST tagged BRD4(BD1) (unknown origin) using SGRGK(Ac)CGK(Ac)-GLGK(Ac)GGAK(Ac)RHRKVG-peptide after 3 hrs by HTRF...


J Med Chem 61: 5719-5732 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00653
BindingDB Entry DOI: 10.7270/Q2Q52S95
More data for this
Ligand-Target Pair
Bromodomain-containing protein 3


(Homo sapiens (Human))
BDBM50586224
PNG
(CHEMBL5085041)
Show SMILES CC(=O)N1CCc2c(C1)sc1nc(SCC(=O)Nc3cc(Cl)ccc3C)n(-c3ccc(C)o3)c(=O)c21
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TBA

Assay Description
Inhibition of BRD3-BD2 (unknown origin) incubated for 6 hrs by HTRF method


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c02168
BindingDB Entry DOI: 10.7270/Q20Z7752
More data for this
Ligand-Target Pair
Bromodomain-containing protein 3


(Homo sapiens (Human))
BDBM50586240
PNG
(CHEMBL5076502)
Show SMILES CSc1cccc(NC(=O)CSc2nc3sc4CN(CCc4c3c(=O)n2Cc2ccco2)C(C)=O)c1
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TBA

Assay Description
Inhibition of BRD3-BD2 (unknown origin) incubated for 6 hrs by HTRF method


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c02168
BindingDB Entry DOI: 10.7270/Q20Z7752
More data for this
Ligand-Target Pair
Bromodomain-containing protein 3


(Homo sapiens (Human))
BDBM50586232
PNG
(CHEMBL5089846)
Show SMILES CC(=O)N1CCc2c(C1)sc1nc(SCC(=O)Nc3ccc(F)cc3)n(Cc3ccco3)c(=O)c21
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TBA

Assay Description
Inhibition of BRD3-BD2 (unknown origin) incubated for 6 hrs by HTRF method


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c02168
BindingDB Entry DOI: 10.7270/Q20Z7752
More data for this
Ligand-Target Pair
Bromodomain-containing protein 3


(Homo sapiens (Human))
BDBM50586229
PNG
(CHEMBL5089257)
Show SMILES CC(=O)N1CCc2c(C1)sc1nc(SCC(=O)Nc3cccc(C)c3)n(Cc3ccco3)c(=O)c21
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TBA

Assay Description
Inhibition of BRD3-BD2 (unknown origin) incubated for 6 hrs by HTRF method


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c02168
BindingDB Entry DOI: 10.7270/Q20Z7752
More data for this
Ligand-Target Pair
Bromodomain-containing protein 3


(Homo sapiens (Human))
BDBM50586247
PNG
(CHEMBL5075514)
Show SMILES CC(=O)N1CCc2c(C1)sc1nc(SCC(=O)Nc3ccc(F)c(F)c3)n(Cc3ccco3)c(=O)c21
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TBA

Assay Description
Inhibition of BRD3-BD2 (unknown origin) incubated for 6 hrs by HTRF method


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c02168
BindingDB Entry DOI: 10.7270/Q20Z7752
More data for this
Ligand-Target Pair
Bromodomain-containing protein 3


(Homo sapiens (Human))
BDBM50586235
PNG
(CHEMBL5094939)
Show SMILES CC(=O)N1CCc2c(C1)sc1nc(SCC(=O)Nc3cccc(Cl)c3)n(Cc3ccco3)c(=O)c21
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TBA

Assay Description
Inhibition of BRD3-BD2 (unknown origin) incubated for 6 hrs by HTRF method


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c02168
BindingDB Entry DOI: 10.7270/Q20Z7752
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50465539
PNG
(CHEMBL4292433)
Show SMILES CCn1cnc2n(Cc3ccc(CNS(=O)(=O)c4ccc(cc4)-c4ccc(s4)-c4cc(C)n[nH]4)cc3)c(=O)[nH]c(=O)c12
Show InChI InChI=1S/C29H27N7O4S2/c1-3-35-17-30-27-26(35)28(37)32-29(38)36(27)16-20-6-4-19(5-7-20)15-31-42(39,40)22-10-8-21(9-11-22)24-12-13-25(41-24)23-14-18(2)33-34-23/h4-14,17,31H,3,15-16H2,1-2H3,(H,33,34)(H,32,37,38)
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Aix-Marseille University

Curated by ChEMBL


Assay Description
Inhibition of TEV cleavage site-fused-GST tagged BRD4(BD1) (unknown origin) using SGRGK(Ac)CGK(Ac)-GLGK(Ac)GGAK(Ac)RHRKVG-peptide after 3 hrs by HTRF...


J Med Chem 61: 5719-5732 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00653
BindingDB Entry DOI: 10.7270/Q2Q52S95
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50465541
PNG
(CHEMBL4284735)
Show SMILES CCn1cnc2n(Cc3ccc(CNS(=O)(=O)c4cnn(c4)-c4ccccc4)cc3)c(=O)[nH]c(=O)c12
Show InChI InChI=1S/C24H23N7O4S/c1-2-29-16-25-22-21(29)23(32)28-24(33)30(22)14-18-10-8-17(9-11-18)12-27-36(34,35)20-13-26-31(15-20)19-6-4-3-5-7-19/h3-11,13,15-16,27H,2,12,14H2,1H3,(H,28,32,33)
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n/an/a 501n/an/an/an/an/an/a



Aix-Marseille University

Curated by ChEMBL


Assay Description
Inhibition of TEV cleavage site-fused-GST tagged BRD4(BD1) (unknown origin) using SGRGK(Ac)CGK(Ac)-GLGK(Ac)GGAK(Ac)RHRKVG-peptide after 3 hrs by HTRF...


J Med Chem 61: 5719-5732 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00653
BindingDB Entry DOI: 10.7270/Q2Q52S95
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50465536
PNG
(CHEMBL4282793)
Show SMILES CCn1cnc2n(Cc3ccc(CNS(=O)(=O)c4cccc(c4)-c4ccccc4)cc3)c(=O)[nH]c(=O)c12
Show InChI InChI=1S/C27H25N5O4S/c1-2-31-18-28-25-24(31)26(33)30-27(34)32(25)17-20-13-11-19(12-14-20)16-29-37(35,36)23-10-6-9-22(15-23)21-7-4-3-5-8-21/h3-15,18,29H,2,16-17H2,1H3,(H,30,33,34)
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n/an/a 501n/an/an/an/an/an/a



Aix-Marseille University

Curated by ChEMBL


Assay Description
Inhibition of TEV cleavage site-fused-GST tagged BRD4(BD1) (unknown origin) using SGRGK(Ac)CGK(Ac)-GLGK(Ac)GGAK(Ac)RHRKVG-peptide after 3 hrs by HTRF...


J Med Chem 61: 5719-5732 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00653
BindingDB Entry DOI: 10.7270/Q2Q52S95
More data for this
Ligand-Target Pair
Bromodomain-containing protein 3


(Homo sapiens (Human))
BDBM50586241
PNG
(CHEMBL5090901)
Show SMILES CC(=O)N1CCc2c(C1)sc1nc(SCC(=O)Nc3ccc(Cl)cc3)n(Cc3ccco3)c(=O)c21
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TBA

Assay Description
Inhibition of BRD3-BD2 (unknown origin) incubated for 6 hrs by HTRF method


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c02168
BindingDB Entry DOI: 10.7270/Q20Z7752
More data for this
Ligand-Target Pair
Bromodomain-containing protein 3


(Homo sapiens (Human))
BDBM50586231
PNG
(CHEMBL5090190)
Show SMILES COc1ccc(NC(=O)CSc2nc3sc4CN(CCc4c3c(=O)n2Cc2ccco2)C(C)=O)cc1
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TBA

Assay Description
Inhibition of BRD3-BD2 (unknown origin) incubated for 6 hrs by HTRF method


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c02168
BindingDB Entry DOI: 10.7270/Q20Z7752
More data for this
Ligand-Target Pair
Bromodomain-containing protein 3


(Homo sapiens (Human))
BDBM50586234
PNG
(CHEMBL5081830)
Show SMILES CC(=O)N1CCc2c(C1)sc1nc(SCC(=O)Nc3ccc(C)cc3)n(Cc3ccco3)c(=O)c21
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TBA

Assay Description
Inhibition of BRD3-BD2 (unknown origin) incubated for 6 hrs by HTRF method


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c02168
BindingDB Entry DOI: 10.7270/Q20Z7752
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50465533
PNG
(CHEMBL4289190)
Show SMILES CCn1cnc2n(Cc3ccc(CNS(=O)(=O)c4ccc(C)cc4)cc3)c(=O)[nH]c(=O)c12
Show InChI InChI=1S/C22H23N5O4S/c1-3-26-14-23-20-19(26)21(28)25-22(29)27(20)13-17-8-6-16(7-9-17)12-24-32(30,31)18-10-4-15(2)5-11-18/h4-11,14,24H,3,12-13H2,1-2H3,(H,25,28,29)
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Aix-Marseille University

Curated by ChEMBL


Assay Description
Inhibition of TEV cleavage site-fused-GST tagged BRD4(BD1) (unknown origin) using SGRGK(Ac)CGK(Ac)-GLGK(Ac)GGAK(Ac)RHRKVG-peptide after 3 hrs by HTRF...


J Med Chem 61: 5719-5732 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00653
BindingDB Entry DOI: 10.7270/Q2Q52S95
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50465535
PNG
(CHEMBL4278314)
Show SMILES CCn1cnc2n(Cc3ccc(CNS(=O)(=O)c4ccc(cc4)C4COC(C)=N4)cc3)c(=O)[nH]c(=O)c12 |c:28|
Show InChI InChI=1S/C25H26N6O5S/c1-3-30-15-26-23-22(30)24(32)29-25(33)31(23)13-18-6-4-17(5-7-18)12-27-37(34,35)20-10-8-19(9-11-20)21-14-36-16(2)28-21/h4-11,15,21,27H,3,12-14H2,1-2H3,(H,29,32,33)
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Aix-Marseille University

Curated by ChEMBL


Assay Description
Inhibition of TEV cleavage site-fused-GST tagged BRD4(BD1) (unknown origin) using SGRGK(Ac)CGK(Ac)-GLGK(Ac)GGAK(Ac)RHRKVG-peptide after 3 hrs by HTRF...


J Med Chem 61: 5719-5732 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00653
BindingDB Entry DOI: 10.7270/Q2Q52S95
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50465537
PNG
(CHEMBL4286225)
Show SMILES CCn1cnc2n(Cc3ccc(CNS(=O)(=O)c4ccc(OCc5ccccc5)cc4)cc3)c(=O)[nH]c(=O)c12
Show InChI InChI=1S/C28H27N5O5S/c1-2-32-19-29-26-25(32)27(34)31-28(35)33(26)17-21-10-8-20(9-11-21)16-30-39(36,37)24-14-12-23(13-15-24)38-18-22-6-4-3-5-7-22/h3-15,19,30H,2,16-18H2,1H3,(H,31,34,35)
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Aix-Marseille University

Curated by ChEMBL


Assay Description
Inhibition of TEV cleavage site-fused-GST tagged BRD4(BD1) (unknown origin) using SGRGK(Ac)CGK(Ac)-GLGK(Ac)GGAK(Ac)RHRKVG-peptide after 3 hrs by HTRF...


J Med Chem 61: 5719-5732 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00653
BindingDB Entry DOI: 10.7270/Q2Q52S95
More data for this
Ligand-Target Pair
Bromodomain-containing protein 3


(Homo sapiens (Human))
BDBM50586246
PNG
(CHEMBL5074555)
Show SMILES CC(=O)N1CCc2c(C1)sc1nc(SCC(=O)Nc3ccc(F)c(Cl)c3)n(Cc3ccco3)c(=O)c21
PDB

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TBA

Assay Description
Inhibition of BRD3-BD2 (unknown origin) incubated for 6 hrs by HTRF method


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c02168
BindingDB Entry DOI: 10.7270/Q20Z7752
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50586215
PNG
(CHEMBL5080392)
Show SMILES CC(=O)N1CCc2c(C1)sc1nc(SCC(=O)Nc3cc(Cl)ccc3C)n(Cc3ccco3)c(=O)c21
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TBA

Assay Description
Binding affinity to human partial length BRD4-BD2 (K333 to E460 residues) expressed in bacterial system assessed as dissociation constant by BROMOsca...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c02168
BindingDB Entry DOI: 10.7270/Q20Z7752
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50465545
PNG
(CHEMBL4293000)
Show SMILES CCn1cnc2n(Cc3ccc(CNS(=O)(=O)c4ccc5n(C)c(=O)n(C)c5c4)cc3)c(=O)[nH]c(=O)c12
Show InChI InChI=1S/C24H25N7O5S/c1-4-30-14-25-21-20(30)22(32)27-23(33)31(21)13-16-7-5-15(6-8-16)12-26-37(35,36)17-9-10-18-19(11-17)29(3)24(34)28(18)2/h5-11,14,26H,4,12-13H2,1-3H3,(H,27,32,33)
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Aix-Marseille University

Curated by ChEMBL


Assay Description
Inhibition of TEV cleavage site-fused-GST tagged BRD4(BD1) (unknown origin) using SGRGK(Ac)CGK(Ac)-GLGK(Ac)GGAK(Ac)RHRKVG-peptide after 3 hrs by HTRF...


J Med Chem 61: 5719-5732 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00653
BindingDB Entry DOI: 10.7270/Q2Q52S95
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50465546
PNG
(CHEMBL4277865)
Show SMILES CCn1cnc2n(Cc3ccc(CNS(=O)(=O)c4ccc(OC)cc4)cc3)c(=O)[nH]c(=O)c12
Show InChI InChI=1S/C22H23N5O5S/c1-3-26-14-23-20-19(26)21(28)25-22(29)27(20)13-16-6-4-15(5-7-16)12-24-33(30,31)18-10-8-17(32-2)9-11-18/h4-11,14,24H,3,12-13H2,1-2H3,(H,25,28,29)
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Aix-Marseille University

Curated by ChEMBL


Assay Description
Inhibition of TEV cleavage site-fused-GST tagged BRD4(BD1) (unknown origin) using SGRGK(Ac)CGK(Ac)-GLGK(Ac)GGAK(Ac)RHRKVG-peptide after 3 hrs by HTRF...


J Med Chem 61: 5719-5732 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00653
BindingDB Entry DOI: 10.7270/Q2Q52S95
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50586219
PNG
(CHEMBL5077591)
Show SMILES COc1cc(cc(OC)c1OC)C(=O)C(=Cc1ccncc1)c1nc2ccccc2o1
PDB

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n/an/a 800n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of BRD4-BD2 (unknown origin) incubated for 6 hrs by HTRF method


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c02168
BindingDB Entry DOI: 10.7270/Q20Z7752
More data for this
Ligand-Target Pair
Bromodomain-containing protein 3


(Homo sapiens (Human))
BDBM50586245
PNG
(CHEMBL5076250)
Show SMILES CCOc1ccc(NC(=O)CSc2nc3sc4CN(CCc4c3c(=O)n2Cc2ccco2)C(C)=O)cc1
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TBA

Assay Description
Inhibition of BRD3-BD2 (unknown origin) incubated for 6 hrs by HTRF method


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c02168
BindingDB Entry DOI: 10.7270/Q20Z7752
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50586220
PNG
(CHEMBL5084945)
Show SMILES Cc1nn(CCO)c(C)c1-c1c(C)c(nc(N)c1C#N)-c1ccc(O)cc1 |(-1.41,-5.7,;-.32,-4.61,;1.19,-4.93,;1.96,-3.6,;3.5,-3.6,;4.27,-2.26,;5.81,-2.26,;.93,-2.45,;1.33,-.96,;-.48,-3.08,;-1.81,-2.31,;-1.81,-.77,;-.48,0,;-3.14,0,;-4.48,-.77,;-4.48,-2.32,;-5.81,-3.09,;-3.14,-3.08,;-3.14,-4.62,;-3.14,-6.16,;-3.14,1.54,;-4.48,2.31,;-4.47,3.85,;-3.14,4.62,;-3.14,6.16,;-1.81,3.85,;-1.8,2.31,)|
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n/an/a 900n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of BRD4-BD2 (unknown origin) incubated for 6 hrs by HTRF method


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c02168
BindingDB Entry DOI: 10.7270/Q20Z7752
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50586216
PNG
(CHEMBL5078986)
Show SMILES Cc1noc(C)c1-c1ccc(C)c(c1)S(=O)(=O)Nc1cccc(C)c1C
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 900n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of BRD4-BD2 (unknown origin) incubated for 6 hrs by HTRF method


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c02168
BindingDB Entry DOI: 10.7270/Q20Z7752
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50586215
PNG
(CHEMBL5080392)
Show SMILES CC(=O)N1CCc2c(C1)sc1nc(SCC(=O)Nc3cc(Cl)ccc3C)n(Cc3ccco3)c(=O)c21
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 900n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of BRD4-BD2 (unknown origin) incubated for 6 hrs by HTRF method


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c02168
BindingDB Entry DOI: 10.7270/Q20Z7752
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50465538
PNG
(CHEMBL4284197)
Show SMILES CCn1cnc2n(Cc3ccc(CNS(=O)(=O)c4ccc(cc4)-c4cc5ccccc5s4)cc3)c(=O)[nH]c(=O)c12
Show InChI InChI=1S/C29H25N5O4S2/c1-2-33-18-30-27-26(33)28(35)32-29(36)34(27)17-20-9-7-19(8-10-20)16-31-40(37,38)23-13-11-21(12-14-23)25-15-22-5-3-4-6-24(22)39-25/h3-15,18,31H,2,16-17H2,1H3,(H,32,35,36)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.00E+3n/an/an/an/an/an/a



Aix-Marseille University

Curated by ChEMBL


Assay Description
Inhibition of TEV cleavage site-fused-GST tagged BRD4(BD1) (unknown origin) using SGRGK(Ac)CGK(Ac)-GLGK(Ac)GGAK(Ac)RHRKVG-peptide after 3 hrs by HTRF...


J Med Chem 61: 5719-5732 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00653
BindingDB Entry DOI: 10.7270/Q2Q52S95
More data for this
Ligand-Target Pair
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