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PubMed code 26735842

Compile data set for download or QSAR
Found 27 hits of Enzyme Inhibition Constant Data   
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)

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)

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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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)

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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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)

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)

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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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)

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)

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)

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)

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)

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)

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)

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)

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)

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)

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)

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)

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)

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)

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)

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)

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)

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)

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)

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)

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)

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)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
* indicates data uncertainty>20%