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Compile Data Set for Download or QSAR

Found 32 hits with Last Name = 'priet' and Initial = 's'   
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 2


(Homo sapiens (Human))
BDBM50150754
PNG
(CHEMBL3775058)
Show SMILES CCn1cnc2n(Cc3ccc(Cl)cc3)c(=O)[nH]c(=O)c12
Show InChI InChI=1S/C14H13ClN4O2/c1-2-18-8-16-12-11(18)13(20)17-14(21)19(12)7-9-3-5-10(15)6-4-9/h3-6,8H,2,7H2,1H3,(H,17,20,21)
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n/an/a 1.60E+3n/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human BRD2 bromodomain2 using H4KAc 5/8/12/16 peptide as substrate incubated overnight by HTRF assay


J Med Chem 59: 1634-41 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01708
BindingDB Entry DOI: 10.7270/Q21N830R
More data for this
Ligand-Target Pair
Bromodomain-containing protein 3


(Homo sapiens (Human))
BDBM50150754
PNG
(CHEMBL3775058)
Show SMILES CCn1cnc2n(Cc3ccc(Cl)cc3)c(=O)[nH]c(=O)c12
Show InChI InChI=1S/C14H13ClN4O2/c1-2-18-8-16-12-11(18)13(20)17-14(21)19(12)7-9-3-5-10(15)6-4-9/h3-6,8H,2,7H2,1H3,(H,17,20,21)
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n/an/a 1.80E+3n/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human BRD3 bromodomain1 using H4KAc 5/8/12/16 peptide as substrate incubated overnight by HTRF assay


J Med Chem 59: 1634-41 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01708
BindingDB Entry DOI: 10.7270/Q21N830R
More data for this
Ligand-Target Pair
Bromodomain-containing protein 3


(Homo sapiens (Human))
BDBM50150754
PNG
(CHEMBL3775058)
Show SMILES CCn1cnc2n(Cc3ccc(Cl)cc3)c(=O)[nH]c(=O)c12
Show InChI InChI=1S/C14H13ClN4O2/c1-2-18-8-16-12-11(18)13(20)17-14(21)19(12)7-9-3-5-10(15)6-4-9/h3-6,8H,2,7H2,1H3,(H,17,20,21)
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n/an/a 1.80E+3n/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Inhibition of human BRD3 bromodomain2 using H4KAc 5/8/12/16 peptide as substrate incubated overnight by HTRF assay


J Med Chem 59: 1634-41 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01708
BindingDB Entry DOI: 10.7270/Q21N830R
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50150754
PNG
(CHEMBL3775058)
Show SMILES CCn1cnc2n(Cc3ccc(Cl)cc3)c(=O)[nH]c(=O)c12
Show InChI InChI=1S/C14H13ClN4O2/c1-2-18-8-16-12-11(18)13(20)17-14(21)19(12)7-9-3-5-10(15)6-4-9/h3-6,8H,2,7H2,1H3,(H,17,20,21)
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n/an/a 1.90E+3n/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human BRD4 bromodomain2 using H4KAc 5/8/12/16 peptide as substrate incubated overnight by HTRF assay


J Med Chem 59: 1634-41 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01708
BindingDB Entry DOI: 10.7270/Q21N830R
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Bromodomain testis-specific protein


(Homo sapiens (Human))
BDBM50150754
PNG
(CHEMBL3775058)
Show SMILES CCn1cnc2n(Cc3ccc(Cl)cc3)c(=O)[nH]c(=O)c12
Show InChI InChI=1S/C14H13ClN4O2/c1-2-18-8-16-12-11(18)13(20)17-14(21)19(12)7-9-3-5-10(15)6-4-9/h3-6,8H,2,7H2,1H3,(H,17,20,21)
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n/an/a 2.30E+3n/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human BRDT bromodomain1 using H4KAc 5/8/12/16 peptide as substrate incubated overnight by HTRF assay


J Med Chem 59: 1634-41 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01708
BindingDB Entry DOI: 10.7270/Q21N830R
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50150754
PNG
(CHEMBL3775058)
Show SMILES CCn1cnc2n(Cc3ccc(Cl)cc3)c(=O)[nH]c(=O)c12
Show InChI InChI=1S/C14H13ClN4O2/c1-2-18-8-16-12-11(18)13(20)17-14(21)19(12)7-9-3-5-10(15)6-4-9/h3-6,8H,2,7H2,1H3,(H,17,20,21)
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n/an/a 2.60E+3n/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human BRD4 bromodomain1 using H4KAc 5/8/12/16 peptide as substrate incubated overnight by HTRF assay


J Med Chem 59: 1634-41 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01708
BindingDB Entry DOI: 10.7270/Q21N830R
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Bromodomain-containing protein 2


(Homo sapiens (Human))
BDBM50150754
PNG
(CHEMBL3775058)
Show SMILES CCn1cnc2n(Cc3ccc(Cl)cc3)c(=O)[nH]c(=O)c12
Show InChI InChI=1S/C14H13ClN4O2/c1-2-18-8-16-12-11(18)13(20)17-14(21)19(12)7-9-3-5-10(15)6-4-9/h3-6,8H,2,7H2,1H3,(H,17,20,21)
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n/an/a 4.70E+3n/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human BRD2 bromodomain1 using H4KAc 5/8/12/16 peptide as substrate incubated overnight by HTRF assay


J Med Chem 59: 1634-41 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01708
BindingDB Entry DOI: 10.7270/Q21N830R
More data for this
Ligand-Target Pair
Bromodomain-containing protein 3


(Homo sapiens (Human))
BDBM50150755
PNG
(CHEMBL3775270)
Show SMILES CCCCn1c2ncn(CC)c2c(=O)[nH]c1=O
Show InChI InChI=1S/C11H16N4O2/c1-3-5-6-15-9-8(10(16)13-11(15)17)14(4-2)7-12-9/h7H,3-6H2,1-2H3,(H,13,16,17)
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n/an/a 4.80E+3n/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human BRD3 bromodomain1 using H4KAc 5/8/12/16 peptide as substrate incubated overnight by HTRF assay


J Med Chem 59: 1634-41 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01708
BindingDB Entry DOI: 10.7270/Q21N830R
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50150069
PNG
(CHEMBL3774931)
Show SMILES CCCCc1c(C)nc2nc(SCc3nc4n(CCCC)c(=O)[nH]c(=O)c4n3CC)nn2c1C
Show InChI InChI=1S/C23H32N8O2S/c1-6-9-11-16-14(4)24-21-27-22(28-31(21)15(16)5)34-13-17-25-19-18(29(17)8-3)20(32)26-23(33)30(19)12-10-7-2/h6-13H2,1-5H3,(H,26,32,33)
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n/an/a 5.00E+3n/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human BRD4 bromodomain1 using H4KAc 5/8/12/16 peptide as substrate incubated overnight by HTRF assay


J Med Chem 59: 1634-41 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01708
BindingDB Entry DOI: 10.7270/Q21N830R
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Bromodomain-containing protein 3


(Homo sapiens (Human))
BDBM50150755
PNG
(CHEMBL3775270)
Show SMILES CCCCn1c2ncn(CC)c2c(=O)[nH]c1=O
Show InChI InChI=1S/C11H16N4O2/c1-3-5-6-15-9-8(10(16)13-11(15)17)14(4-2)7-12-9/h7H,3-6H2,1-2H3,(H,13,16,17)
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n/an/a 5.80E+3n/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Inhibition of human BRD3 bromodomain2 using H4KAc 5/8/12/16 peptide as substrate incubated overnight by HTRF assay


J Med Chem 59: 1634-41 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01708
BindingDB Entry DOI: 10.7270/Q21N830R
More data for this
Ligand-Target Pair
Bromodomain-containing protein 2


(Homo sapiens (Human))
BDBM50150755
PNG
(CHEMBL3775270)
Show SMILES CCCCn1c2ncn(CC)c2c(=O)[nH]c1=O
Show InChI InChI=1S/C11H16N4O2/c1-3-5-6-15-9-8(10(16)13-11(15)17)14(4-2)7-12-9/h7H,3-6H2,1-2H3,(H,13,16,17)
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n/an/a 6.60E+3n/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human BRD2 bromodomain2 using H4KAc 5/8/12/16 peptide as substrate incubated overnight by HTRF assay


J Med Chem 59: 1634-41 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01708
BindingDB Entry DOI: 10.7270/Q21N830R
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50484283
PNG
(CHEMBL1830070)
Show SMILES [Na;v0+].[Na;v0+].[Na;v0+].[Na;v0+].[#7]-c1ncnc2n(-[#6]-[#6]-[#8]-[#6]P([#16-])(=O)[#8]P([#8-])(=O)[#8]P([#8-])([#8-])=O)cnc12
Show InChI InChI=1S/C8H14N5O9P3S.4Na/c9-7-6-8(11-3-10-7)13(4-12-6)1-2-20-5-23(14,26)21-25(18,19)22-24(15,16)17;;;;/h3-4H,1-2,5H2,(H,14,26)(H,18,19)(H2,9,10,11)(H2,15,16,17);;;;/q;4*+1/p-4
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n/an/a 6.80E+3n/an/an/an/an/an/a



Universit£s Aix-Marseille I et II

Curated by ChEMBL


Assay Description
Inhibition of wild-type HIV1 subtype B reverse transcriptase assessed as incorporation of [3H]dTTP


Eur J Med Chem 46: 4281-8 (2011)


Article DOI: 10.1016/j.ejmech.2011.06.034
BindingDB Entry DOI: 10.7270/Q2MW2M0C
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50484282
PNG
(CHEMBL1830071)
Show SMILES [Na;v0+].[Na;v0+].[Na;v0+].[Na;v0+].[#7]-c1ncnc2n(-[#6]-[#6]-[#8]-[#6]P([#8-])(=O)[#8]P([#8-])(=O)[#8]P([#8-])([#8-])=O)cnc12
Show InChI InChI=1S/C8H14N5O10P3/c9-7-6-8(11-3-10-7)13(4-12-6)1-2-21-5-24(14,15)22-26(19,20)23-25(16,17)18/h3-4H,1-2,5H2,(H,14,15)(H,19,20)(H2,9,10,11)(H2,16,17,18)/p-4
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n/an/a 7.00E+3n/an/an/an/an/an/a



Universit£s Aix-Marseille I et II

Curated by ChEMBL


Assay Description
Inhibition of wild-type HIV1 subtype B reverse transcriptase assessed as incorporation of [3H]dTTP


Eur J Med Chem 46: 4281-8 (2011)


Article DOI: 10.1016/j.ejmech.2011.06.034
BindingDB Entry DOI: 10.7270/Q2MW2M0C
More data for this
Ligand-Target Pair
Bromodomain testis-specific protein


(Homo sapiens (Human))
BDBM50150755
PNG
(CHEMBL3775270)
Show SMILES CCCCn1c2ncn(CC)c2c(=O)[nH]c1=O
Show InChI InChI=1S/C11H16N4O2/c1-3-5-6-15-9-8(10(16)13-11(15)17)14(4-2)7-12-9/h7H,3-6H2,1-2H3,(H,13,16,17)
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n/an/a 7.90E+3n/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human BRDT bromodomain1 using H4KAc 5/8/12/16 peptide as substrate incubated overnight by HTRF assay


J Med Chem 59: 1634-41 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01708
BindingDB Entry DOI: 10.7270/Q21N830R
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50150755
PNG
(CHEMBL3775270)
Show SMILES CCCCn1c2ncn(CC)c2c(=O)[nH]c1=O
Show InChI InChI=1S/C11H16N4O2/c1-3-5-6-15-9-8(10(16)13-11(15)17)14(4-2)7-12-9/h7H,3-6H2,1-2H3,(H,13,16,17)
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n/an/a 8.10E+3n/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human BRD4 bromodomain2 using H4KAc 5/8/12/16 peptide as substrate incubated overnight by HTRF assay


J Med Chem 59: 1634-41 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01708
BindingDB Entry DOI: 10.7270/Q21N830R
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50484281
PNG
(CHEMBL1830073)
Show SMILES [Na;v0+].[Na;v0+].[Na;v0+].[Na;v0+].[#6]-[#6@H](-[#6]-n1cnc2c(-[#7])ncnc12)-[#8]-[#6]P([#8-])(=O)[#8]P([#8-])(=O)[#8]P([#8-])([#8-])=O |r|
Show InChI InChI=1S/C9H16N5O10P3.4Na/c1-6(2-14-4-13-7-8(10)11-3-12-9(7)14)22-5-25(15,16)23-27(20,21)24-26(17,18)19;;;;/h3-4,6H,2,5H2,1H3,(H,15,16)(H,20,21)(H2,10,11,12)(H2,17,18,19);;;;/q;4*+1/p-4/t6-;;;;/m1..../s1
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n/an/a 1.13E+4n/an/an/an/an/an/a



Universit£s Aix-Marseille I et II

Curated by ChEMBL


Assay Description
Inhibition of wild-type HIV1 subtype B reverse transcriptase assessed as incorporation of [3H]dTTP


Eur J Med Chem 46: 4281-8 (2011)


Article DOI: 10.1016/j.ejmech.2011.06.034
BindingDB Entry DOI: 10.7270/Q2MW2M0C
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50150755
PNG
(CHEMBL3775270)
Show SMILES CCCCn1c2ncn(CC)c2c(=O)[nH]c1=O
Show InChI InChI=1S/C11H16N4O2/c1-3-5-6-15-9-8(10(16)13-11(15)17)14(4-2)7-12-9/h7H,3-6H2,1-2H3,(H,13,16,17)
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n/an/a 1.30E+4n/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human BRD4 bromodomain1 using H4KAc 5/8/12/16 peptide as substrate incubated overnight by HTRF assay


J Med Chem 59: 1634-41 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01708
BindingDB Entry DOI: 10.7270/Q21N830R
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50484284
PNG
(CHEMBL1830072)
Show SMILES [Na;v0+].[Na;v0+].[Na;v0+].[Na;v0+].[#6]-[#6@H](-[#6]-n1cnc2c(-[#7])ncnc12)-[#8]-[#6]P([#16-])(=O)[#8]P([#8-])(=O)[#8]P([#8-])([#8-])=O |r|
Show InChI InChI=1S/C9H16N5O9P3S.4Na/c1-6(2-14-4-13-7-8(10)11-3-12-9(7)14)21-5-24(15,27)22-26(19,20)23-25(16,17)18;;;;/h3-4,6H,2,5H2,1H3,(H,15,27)(H,19,20)(H2,10,11,12)(H2,16,17,18);;;;/q;4*+1/p-4/t6-,24?;;;;/m1..../s1
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n/an/a 1.39E+4n/an/an/an/an/an/a



Universit£s Aix-Marseille I et II

Curated by ChEMBL


Assay Description
Inhibition of wild-type HIV1 subtype B reverse transcriptase assessed as incorporation of [3H]dTTP


Eur J Med Chem 46: 4281-8 (2011)


Article DOI: 10.1016/j.ejmech.2011.06.034
BindingDB Entry DOI: 10.7270/Q2MW2M0C
More data for this
Ligand-Target Pair
Bromodomain-containing protein 2


(Homo sapiens (Human))
BDBM50150755
PNG
(CHEMBL3775270)
Show SMILES CCCCn1c2ncn(CC)c2c(=O)[nH]c1=O
Show InChI InChI=1S/C11H16N4O2/c1-3-5-6-15-9-8(10(16)13-11(15)17)14(4-2)7-12-9/h7H,3-6H2,1-2H3,(H,13,16,17)
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n/an/a 1.88E+4n/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human BRD2 bromodomain1 using H4KAc 5/8/12/16 peptide as substrate incubated overnight by HTRF assay


J Med Chem 59: 1634-41 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01708
BindingDB Entry DOI: 10.7270/Q21N830R
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50150753
PNG
(CHEMBL3775772)
Show SMILES CCCCc1c(C)nc2nc(SCc3nc4n(Cc5ccc(Cl)cc5)c(=O)[nH]c(=O)c4n3CC)nn2c1C
Show InChI InChI=1S/C26H29ClN8O2S/c1-5-7-8-19-15(3)28-24-31-25(32-35(24)16(19)4)38-14-20-29-22-21(33(20)6-2)23(36)30-26(37)34(22)13-17-9-11-18(27)12-10-17/h9-12H,5-8,13-14H2,1-4H3,(H,30,36,37)
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n/an/a 2.04E+4n/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human BRD4 bromodomain1 using H4KAc 5/8/12/16 peptide as substrate incubated overnight by HTRF assay


J Med Chem 59: 1634-41 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01708
BindingDB Entry DOI: 10.7270/Q21N830R
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50150752
PNG
(CHEMBL3774900)
Show SMILES CCn1c(CSc2n[nH]c(N)n2)nc2n(Cc3ccc(Cl)cc3)c(=O)[nH]c(=O)c12
Show InChI InChI=1S/C17H17ClN8O2S/c1-2-25-11(8-29-16-22-15(19)23-24-16)20-13-12(25)14(27)21-17(28)26(13)7-9-3-5-10(18)6-4-9/h3-6H,2,7-8H2,1H3,(H,21,27,28)(H3,19,22,23,24)
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n/an/a 2.64E+4n/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human BRD4 bromodomain1 using H4KAc 5/8/12/16 peptide as substrate incubated overnight by HTRF assay


J Med Chem 59: 1634-41 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01708
BindingDB Entry DOI: 10.7270/Q21N830R
More data for this
Ligand-Target Pair
Bromodomain-containing protein 2


(Homo sapiens (Human))
BDBM50150752
PNG
(CHEMBL3774900)
Show SMILES CCn1c(CSc2n[nH]c(N)n2)nc2n(Cc3ccc(Cl)cc3)c(=O)[nH]c(=O)c12
Show InChI InChI=1S/C17H17ClN8O2S/c1-2-25-11(8-29-16-22-15(19)23-24-16)20-13-12(25)14(27)21-17(28)26(13)7-9-3-5-10(18)6-4-9/h3-6H,2,7-8H2,1H3,(H,21,27,28)(H3,19,22,23,24)
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n/an/a 3.00E+4n/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human BRD2 bromodomain1 using H4KAc 5/8/12/16 peptide as substrate incubated overnight by HTRF assay


J Med Chem 59: 1634-41 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01708
BindingDB Entry DOI: 10.7270/Q21N830R
More data for this
Ligand-Target Pair
Bromodomain-containing protein 3


(Homo sapiens (Human))
BDBM50150752
PNG
(CHEMBL3774900)
Show SMILES CCn1c(CSc2n[nH]c(N)n2)nc2n(Cc3ccc(Cl)cc3)c(=O)[nH]c(=O)c12
Show InChI InChI=1S/C17H17ClN8O2S/c1-2-25-11(8-29-16-22-15(19)23-24-16)20-13-12(25)14(27)21-17(28)26(13)7-9-3-5-10(18)6-4-9/h3-6H,2,7-8H2,1H3,(H,21,27,28)(H3,19,22,23,24)
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n/an/a 3.17E+4n/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human BRD3 bromodomain1 using H4KAc 5/8/12/16 peptide as substrate incubated overnight by HTRF assay


J Med Chem 59: 1634-41 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01708
BindingDB Entry DOI: 10.7270/Q21N830R
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50150714
PNG
(CHEMBL3775080)
Show SMILES CCCCn1c2nc(CSc3n[nH]c(N)n3)n(CC)c2c(=O)[nH]c1=O
Show InChI InChI=1S/C14H20N8O2S/c1-3-5-6-22-10-9(11(23)17-14(22)24)21(4-2)8(16-10)7-25-13-18-12(15)19-20-13/h3-7H2,1-2H3,(H,17,23,24)(H3,15,18,19,20)
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n/an/a>5.00E+4n/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human BRD4 bromodomain1 using H4KAc 5/8/12/16 peptide as substrate incubated overnight by HTRF assay


J Med Chem 59: 1634-41 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01708
BindingDB Entry DOI: 10.7270/Q21N830R
More data for this
Ligand-Target Pair
Bromodomain-containing protein 2


(Homo sapiens (Human))
BDBM50150069
PNG
(CHEMBL3774931)
Show SMILES CCCCc1c(C)nc2nc(SCc3nc4n(CCCC)c(=O)[nH]c(=O)c4n3CC)nn2c1C
Show InChI InChI=1S/C23H32N8O2S/c1-6-9-11-16-14(4)24-21-27-22(28-31(21)15(16)5)34-13-17-25-19-18(29(17)8-3)20(32)26-23(33)30(19)12-10-7-2/h6-13H2,1-5H3,(H,26,32,33)
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n/an/a 5.90E+4n/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human BRD2 bromodomain1 using H4KAc 5/8/12/16 peptide as substrate incubated overnight by HTRF assay


J Med Chem 59: 1634-41 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01708
BindingDB Entry DOI: 10.7270/Q21N830R
More data for this
Ligand-Target Pair
Bromodomain-containing protein 3


(Homo sapiens (Human))
BDBM50150069
PNG
(CHEMBL3774931)
Show SMILES CCCCc1c(C)nc2nc(SCc3nc4n(CCCC)c(=O)[nH]c(=O)c4n3CC)nn2c1C
Show InChI InChI=1S/C23H32N8O2S/c1-6-9-11-16-14(4)24-21-27-22(28-31(21)15(16)5)34-13-17-25-19-18(29(17)8-3)20(32)26-23(33)30(19)12-10-7-2/h6-13H2,1-5H3,(H,26,32,33)
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n/an/a 6.20E+4n/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human BRD3 bromodomain1 using H4KAc 5/8/12/16 peptide as substrate incubated overnight by HTRF assay


J Med Chem 59: 1634-41 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01708
BindingDB Entry DOI: 10.7270/Q21N830R
More data for this
Ligand-Target Pair
Bromodomain testis-specific protein


(Homo sapiens (Human))
BDBM50150069
PNG
(CHEMBL3774931)
Show SMILES CCCCc1c(C)nc2nc(SCc3nc4n(CCCC)c(=O)[nH]c(=O)c4n3CC)nn2c1C
Show InChI InChI=1S/C23H32N8O2S/c1-6-9-11-16-14(4)24-21-27-22(28-31(21)15(16)5)34-13-17-25-19-18(29(17)8-3)20(32)26-23(33)30(19)12-10-7-2/h6-13H2,1-5H3,(H,26,32,33)
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n/an/a 1.00E+5n/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human BRDT bromodomain1 using H4KAc 5/8/12/16 peptide as substrate incubated overnight by HTRF assay


J Med Chem 59: 1634-41 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01708
BindingDB Entry DOI: 10.7270/Q21N830R
More data for this
Ligand-Target Pair
ATPase family AAA domain-containing protein 2


(Homo sapiens (Human))
BDBM50150069
PNG
(CHEMBL3774931)
Show SMILES CCCCc1c(C)nc2nc(SCc3nc4n(CCCC)c(=O)[nH]c(=O)c4n3CC)nn2c1C
Show InChI InChI=1S/C23H32N8O2S/c1-6-9-11-16-14(4)24-21-27-22(28-31(21)15(16)5)34-13-17-25-19-18(29(17)8-3)20(32)26-23(33)30(19)12-10-7-2/h6-13H2,1-5H3,(H,26,32,33)
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n/an/a>1.00E+5n/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human ATAD2 using H4KAc 5/8/12/16 peptide as substrate incubated overnight by HTRF assay


J Med Chem 59: 1634-41 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01708
BindingDB Entry DOI: 10.7270/Q21N830R
More data for this
Ligand-Target Pair
Bromodomain testis-specific protein


(Homo sapiens (Human))
BDBM50150752
PNG
(CHEMBL3774900)
Show SMILES CCn1c(CSc2n[nH]c(N)n2)nc2n(Cc3ccc(Cl)cc3)c(=O)[nH]c(=O)c12
Show InChI InChI=1S/C17H17ClN8O2S/c1-2-25-11(8-29-16-22-15(19)23-24-16)20-13-12(25)14(27)21-17(28)26(13)7-9-3-5-10(18)6-4-9/h3-6H,2,7-8H2,1H3,(H,21,27,28)(H3,19,22,23,24)
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n/an/a>1.00E+5n/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human BRDT bromodomain1 using H4KAc 5/8/12/16 peptide as substrate incubated overnight by HTRF assay


J Med Chem 59: 1634-41 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01708
BindingDB Entry DOI: 10.7270/Q21N830R
More data for this
Ligand-Target Pair
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)
BDBM50553179
PNG
(CHEMBL4786487)
Show SMILES COC(=O)c1c(N)c(nn1-c1ccccc1OCc1ccccc1)C#N
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TBA

Assay Description
Inhibition of wild-type recombinant HIV-1 subtype B reverse transcriptase p66/p51 heterodimer expressed in Escherichia coli using calf thymus DNA and...


Citation and Details

Article DOI: 10.1039/d0md00025f
BindingDB Entry DOI: 10.7270/Q2280C84
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50150069
PNG
(CHEMBL3774931)
Show SMILES CCCCc1c(C)nc2nc(SCc3nc4n(CCCC)c(=O)[nH]c(=O)c4n3CC)nn2c1C
Show InChI InChI=1S/C23H32N8O2S/c1-6-9-11-16-14(4)24-21-27-22(28-31(21)15(16)5)34-13-17-25-19-18(29(17)8-3)20(32)26-23(33)30(19)12-10-7-2/h6-13H2,1-5H3,(H,26,32,33)
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n/an/an/a 1.40E+3n/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Binding affinity to his-tagged human BRD4 bromodomain1 by isothermal titration calorimetric analysis


J Med Chem 59: 1634-41 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01708
BindingDB Entry DOI: 10.7270/Q21N830R
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50150754
PNG
(CHEMBL3775058)
Show SMILES CCn1cnc2n(Cc3ccc(Cl)cc3)c(=O)[nH]c(=O)c12
Show InChI InChI=1S/C14H13ClN4O2/c1-2-18-8-16-12-11(18)13(20)17-14(21)19(12)7-9-3-5-10(15)6-4-9/h3-6,8H,2,7H2,1H3,(H,17,20,21)
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n/an/an/a 1.80E+3n/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Binding affinity to his-tagged human BRD4 bromodomain1 by isothermal titration calorimetric analysis


J Med Chem 59: 1634-41 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01708
BindingDB Entry DOI: 10.7270/Q21N830R
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)