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PubMed code 26982797

Compile data set for download or QSAR
Found 20 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 adjacent to zinc finger domain protein 2B


(Homo sapiens (Human))
BDBM50148270
PNG
(CHEMBL3739699)
Show SMILES CCCOc1ccn2c(cc(-c3ccccc3S(C)(=O)=O)c2c1)C(C)=O
Show InChI InChI=1S/C20H21NO4S/c1-4-11-25-15-9-10-21-18(14(2)22)13-17(19(21)12-15)16-7-5-6-8-20(16)26(3,23)24/h5-10,12-13H,4,11H2,1-3H3
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n/an/a 360n/an/an/an/an/an/a



University of Z£rich

Curated by ChEMBL


Assay Description
Competitive binding affinity to His-tagged BRAZ2B (unknown origin) expressed in Escherichia coli BL21(DE3) cells by AlphaScreen assay in presence of ...


J Med Chem 59: 3087-97 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01757
BindingDB Entry DOI: 10.7270/Q2MP556R
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Bromodomain adjacent to zinc finger domain protein 2B


(Homo sapiens (Human))
BDBM50172133
PNG
(CHEMBL3809185)
Show SMILES CCCOc1ccc2n(cc(-c3ccccc3S(C)(=O)=O)c2c1)C(C)=O
Show InChI InChI=1S/C20H21NO4S/c1-4-11-25-15-9-10-19-17(12-15)18(13-21(19)14(2)22)16-7-5-6-8-20(16)26(3,23)24/h5-10,12-13H,4,11H2,1-3H3
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n/an/a 8.55E+3n/an/an/an/an/an/a



University of Z£rich

Curated by ChEMBL


Assay Description
Competitive binding affinity to His-tagged BRAZ2B (unknown origin) expressed in Escherichia coli BL21(DE3) cells by AlphaScreen assay in presence of ...


J Med Chem 59: 3087-97 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01757
BindingDB Entry DOI: 10.7270/Q2MP556R
More data for this
Ligand-Target Pair
Bromodomain adjacent to zinc finger domain protein 2B


(Homo sapiens (Human))
BDBM50172116
PNG
(CHEMBL3809983)
Show SMILES CC(=O)n1cc(N(C(=O)c2cccc(c2)C(F)(F)F)c2cc(O)ccc2C)c2ccccc12
Show InChI InChI=1S/C25H19F3N2O3/c1-15-10-11-19(32)13-22(15)30(24(33)17-6-5-7-18(12-17)25(26,27)28)23-14-29(16(2)31)21-9-4-3-8-20(21)23/h3-14,32H,1-2H3
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n/an/a 2.70E+4n/an/an/an/an/an/a



University of Z£rich

Curated by ChEMBL


Assay Description
Competitive binding affinity to His-tagged BRAZ2B (unknown origin) expressed in Escherichia coli BL21(DE3) cells by AlphaScreen assay in presence of ...


J Med Chem 59: 3087-97 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01757
BindingDB Entry DOI: 10.7270/Q2MP556R
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
CREB-binding protein


(Homo sapiens (Human))
BDBM50172107
PNG
(CHEMBL3810303)
Show SMILES CC(=O)n1cc(-c2c(C)[nH][nH]c2=O)c2ccccc12
Show InChI InChI=1S/C14H13N3O2/c1-8-13(14(19)16-15-8)11-7-17(9(2)18)12-6-4-3-5-10(11)12/h3-7H,1-2H3,(H2,15,16,19)
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n/an/an/a 2.00E+4n/an/an/an/an/a



University of Z£rich

Curated by ChEMBL


Assay Description
Competitive binding affinity to human His-tagged CREBBP (1081 to 1097 residues) expressed in T7 phage-infected Escherichia coli BL21(DE3) cells measu...


J Med Chem 59: 3087-97 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01757
BindingDB Entry DOI: 10.7270/Q2MP556R
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Bromodomain adjacent to zinc finger domain protein 2B


(Homo sapiens (Human))
BDBM50172114
PNG
(CHEMBL3808440)
Show SMILES COc1ccc(C)c(c1)N(C(=O)c1cccc(c1)C(F)(F)F)c1cn(C(C)=O)c2ccccc12
Show InChI InChI=1S/C26H21F3N2O3/c1-16-11-12-20(34-3)14-23(16)31(25(33)18-7-6-8-19(13-18)26(27,28)29)24-15-30(17(2)32)22-10-5-4-9-21(22)24/h4-15H,1-3H3
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n/an/an/a 1.40E+5n/an/an/an/an/a



University of Z£rich

Curated by ChEMBL


Assay Description
Competitive binding affinity to human His-tagged BRAZ2B (1858 to 1972 residues) expressed in T7 phage-infected Escherichia coli BL21(DE3) cells measu...


J Med Chem 59: 3087-97 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01757
BindingDB Entry DOI: 10.7270/Q2MP556R
More data for this
Ligand-Target Pair
Bromodomain-containing protein 9


(Homo sapiens (Human))
BDBM50172109
PNG
(CHEMBL3809575)
Show SMILES CC(=O)n1cc(-c2c(C)n(C(=O)CCc3ccccc3)n(C(=O)CCc3ccccc3)c2=O)c2ccccc12
Show InChI InChI=1S/C32H29N3O4/c1-22-31(27-21-33(23(2)36)28-16-10-9-15-26(27)28)32(39)35(30(38)20-18-25-13-7-4-8-14-25)34(22)29(37)19-17-24-11-5-3-6-12-24/h3-16,21H,17-20H2,1-2H3
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n/an/an/a 3.50E+3n/an/an/an/an/a



University of Z£rich

Curated by ChEMBL


Assay Description
Competitive binding affinity to BRD9 bromodomain (unknown origin) measured after 1 hr by BROMOscan assay


J Med Chem 59: 3087-97 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01757
BindingDB Entry DOI: 10.7270/Q2MP556R
More data for this
Ligand-Target Pair
Bromodomain-containing protein 9


(Homo sapiens (Human))
BDBM50172113
PNG
(CHEMBL3809636)
Show SMILES CCCOc1ccc2n(cc(-c3c(C)n([nH]c3=O)C(=O)c3ccc(OC)cc3)c2c1)C(C)=O
Show InChI InChI=1S/C25H25N3O5/c1-5-12-33-19-10-11-22-20(13-19)21(14-27(22)16(3)29)23-15(2)28(26-24(23)30)25(31)17-6-8-18(32-4)9-7-17/h6-11,13-14H,5,12H2,1-4H3,(H,26,30)
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n/an/an/a>5.00E+4n/an/an/an/an/a



University of Z£rich

Curated by ChEMBL


Assay Description
Competitive binding affinity to BRD9 bromodomain (unknown origin) measured after 1 hr by BROMOscan assay


J Med Chem 59: 3087-97 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01757
BindingDB Entry DOI: 10.7270/Q2MP556R
More data for this
Ligand-Target Pair
Bromodomain adjacent to zinc finger domain protein 2B


(Homo sapiens (Human))
BDBM50172116
PNG
(CHEMBL3809983)
Show SMILES CC(=O)n1cc(N(C(=O)c2cccc(c2)C(F)(F)F)c2cc(O)ccc2C)c2ccccc12
Show InChI InChI=1S/C25H19F3N2O3/c1-15-10-11-19(32)13-22(15)30(24(33)17-6-5-7-18(12-17)25(26,27)28)23-14-29(16(2)31)21-9-4-3-8-20(21)23/h3-14,32H,1-2H3
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n/an/an/a 3.90E+4n/an/an/an/an/a



University of Z£rich

Curated by ChEMBL


Assay Description
Competitive binding affinity to human His-tagged BRAZ2B (1858 to 1972 residues) expressed in T7 phage-infected Escherichia coli BL21(DE3) cells measu...


J Med Chem 59: 3087-97 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01757
BindingDB Entry DOI: 10.7270/Q2MP556R
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Peregrin


(Homo sapiens (Human))
BDBM50172107
PNG
(CHEMBL3810303)
Show SMILES CC(=O)n1cc(-c2c(C)[nH][nH]c2=O)c2ccccc12
Show InChI InChI=1S/C14H13N3O2/c1-8-13(14(19)16-15-8)11-7-17(9(2)18)12-6-4-3-5-10(11)12/h3-7H,1-2H3,(H2,15,16,19)
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n/an/an/a 1.50E+4n/an/an/an/an/a



University of Z£rich

Curated by ChEMBL


Assay Description
Competitive binding affinity to human His-tagged BRPF1b (626 to 740 residues) expressed in T7 phage-infected Escherichia coli BL21(DE3) cells measure...


J Med Chem 59: 3087-97 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01757
BindingDB Entry DOI: 10.7270/Q2MP556R
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
CREB-binding protein


(Homo sapiens (Human))
BDBM50172110
PNG
(CHEMBL3809876)
Show SMILES COc1ccc(cc1)C(=O)n1[nH]c(=O)c(c1C)-c1cn(C(C)=O)c2ccccc12
Show InChI InChI=1S/C22H19N3O4/c1-13-20(18-12-24(14(2)26)19-7-5-4-6-17(18)19)21(27)23-25(13)22(28)15-8-10-16(29-3)11-9-15/h4-12H,1-3H3,(H,23,27)
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n/an/an/a 9.30E+3n/an/an/an/an/a



University of Z£rich

Curated by ChEMBL


Assay Description
Competitive binding affinity to CBP (unknown origin) measured after 1 hr by BROMOscan assay


J Med Chem 59: 3087-97 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01757
BindingDB Entry DOI: 10.7270/Q2MP556R
More data for this
Ligand-Target Pair
CREB-binding protein


(Homo sapiens (Human))
BDBM50172113
PNG
(CHEMBL3809636)
Show SMILES CCCOc1ccc2n(cc(-c3c(C)n([nH]c3=O)C(=O)c3ccc(OC)cc3)c2c1)C(C)=O
Show InChI InChI=1S/C25H25N3O5/c1-5-12-33-19-10-11-22-20(13-19)21(14-27(22)16(3)29)23-15(2)28(26-24(23)30)25(31)17-6-8-18(32-4)9-7-17/h6-11,13-14H,5,12H2,1-4H3,(H,26,30)
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n/an/an/a 9.80E+3n/an/an/an/an/a



University of Z£rich

Curated by ChEMBL


Assay Description
Competitive binding affinity to CBP (unknown origin) measured after 1 hr by BROMOscan assay


J Med Chem 59: 3087-97 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01757
BindingDB Entry DOI: 10.7270/Q2MP556R
More data for this
Ligand-Target Pair
Bromodomain adjacent to zinc finger domain protein 2B


(Homo sapiens (Human))
BDBM71168
PNG
(2-chloranyl-N-(1-ethanoylindol-3-yl)-N-phenyl-etha...)
Show SMILES CC(=O)n1cc(N(C(=O)CCl)c2ccccc2)c2ccccc12
Show InChI InChI=1S/C18H15ClN2O2/c1-13(22)20-12-17(15-9-5-6-10-16(15)20)21(18(23)11-19)14-7-3-2-4-8-14/h2-10,12H,11H2,1H3
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n/an/an/a>5.00E+4n/an/an/an/an/a



University of Z£rich

Curated by ChEMBL


Assay Description
Competitive binding affinity to human His-tagged BRAZ2B (1858 to 1972 residues) expressed in T7 phage-infected Escherichia coli BL21(DE3) cells measu...


J Med Chem 59: 3087-97 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01757
BindingDB Entry DOI: 10.7270/Q2MP556R
More data for this
Ligand-Target Pair
CREB-binding protein


(Homo sapiens (Human))
BDBM50172109
PNG
(CHEMBL3809575)
Show SMILES CC(=O)n1cc(-c2c(C)n(C(=O)CCc3ccccc3)n(C(=O)CCc3ccccc3)c2=O)c2ccccc12
Show InChI InChI=1S/C32H29N3O4/c1-22-31(27-21-33(23(2)36)28-16-10-9-15-26(27)28)32(39)35(30(38)20-18-25-13-7-4-8-14-25)34(22)29(37)19-17-24-11-5-3-6-12-24/h3-16,21H,17-20H2,1-2H3
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n/an/an/a 1.70E+4n/an/an/an/an/a



University of Z£rich

Curated by ChEMBL


Assay Description
Competitive binding affinity to CBP (unknown origin) measured after 1 hr by BROMOscan assay


J Med Chem 59: 3087-97 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01757
BindingDB Entry DOI: 10.7270/Q2MP556R
More data for this
Ligand-Target Pair
CREB-binding protein


(Homo sapiens (Human))
BDBM50172111
PNG
(CHEMBL3808729)
Show SMILES CC(=O)n1cc(-c2c(C)n([nH]c2=O)C(=O)N2CCOCC2)c2ccccc12
Show InChI InChI=1S/C19H20N4O4/c1-12-17(15-11-22(13(2)24)16-6-4-3-5-14(15)16)18(25)20-23(12)19(26)21-7-9-27-10-8-21/h3-6,11H,7-10H2,1-2H3,(H,20,25)
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n/an/an/a 1.20E+4n/an/an/an/an/a



University of Z£rich

Curated by ChEMBL


Assay Description
Competitive binding affinity to CBP (unknown origin) measured after 1 hr by BROMOscan assay


J Med Chem 59: 3087-97 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01757
BindingDB Entry DOI: 10.7270/Q2MP556R
More data for this
Ligand-Target Pair
CREB-binding protein


(Homo sapiens (Human))
BDBM50172112
PNG
(CHEMBL3809834)
Show SMILES CC(=O)n1cc(-c2c(C)nn3CCOc23)c2ccccc12
Show InChI InChI=1S/C16H15N3O2/c1-10-15(16-19(17-10)7-8-21-16)13-9-18(11(2)20)14-6-4-3-5-12(13)14/h3-6,9H,7-8H2,1-2H3
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n/an/an/a 6.20E+3n/an/an/an/an/a



University of Z£rich

Curated by ChEMBL


Assay Description
Competitive binding affinity to CBP (unknown origin) measured after 1 hr by BROMOscan assay


J Med Chem 59: 3087-97 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01757
BindingDB Entry DOI: 10.7270/Q2MP556R
More data for this
Ligand-Target Pair
Bromodomain-containing protein 9


(Homo sapiens (Human))
BDBM50172107
PNG
(CHEMBL3810303)
Show SMILES CC(=O)n1cc(-c2c(C)[nH][nH]c2=O)c2ccccc12
Show InChI InChI=1S/C14H13N3O2/c1-8-13(14(19)16-15-8)11-7-17(9(2)18)12-6-4-3-5-10(11)12/h3-7H,1-2H3,(H2,15,16,19)
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n/an/an/a 5.30E+3n/an/an/an/an/a



University of Z£rich

Curated by ChEMBL


Assay Description
Competitive binding affinity to BRD9 bromodomain (unknown origin) measured after 1 hr by BROMOscan assay


J Med Chem 59: 3087-97 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01757
BindingDB Entry DOI: 10.7270/Q2MP556R
More data for this
Ligand-Target Pair
Bromodomain adjacent to zinc finger domain protein 2B


(Homo sapiens (Human))
BDBM50172115
PNG
(CHEMBL3810055)
Show SMILES CC(=O)N(c1cn(C(C)=O)c2ccccc12)c1cc(O)ccc1C
Show InChI InChI=1S/C19H18N2O3/c1-12-8-9-15(24)10-18(12)21(14(3)23)19-11-20(13(2)22)17-7-5-4-6-16(17)19/h4-11,24H,1-3H3
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n/an/an/a 2.30E+4n/an/an/an/an/a



University of Z£rich

Curated by ChEMBL


Assay Description
Competitive binding affinity to human His-tagged BRAZ2B (1858 to 1972 residues) expressed in T7 phage-infected Escherichia coli BL21(DE3) cells measu...


J Med Chem 59: 3087-97 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01757
BindingDB Entry DOI: 10.7270/Q2MP556R
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
CREB-binding protein


(Homo sapiens (Human))
BDBM50172108
PNG
(CHEMBL3809158)
Show SMILES CC(=O)n1cc(-c2c(C)n(n(c2=O)S(C)(=O)=O)S(C)(=O)=O)c2ccccc12
Show InChI InChI=1S/C16H17N3O6S2/c1-10-15(16(21)19(27(4,24)25)18(10)26(3,22)23)13-9-17(11(2)20)14-8-6-5-7-12(13)14/h5-9H,1-4H3
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n/an/an/a 6.60E+3n/an/an/an/an/a



University of Z£rich

Curated by ChEMBL


Assay Description
Competitive binding affinity to CBP (unknown origin) measured after 1 hr by BROMOscan assay


J Med Chem 59: 3087-97 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01757
BindingDB Entry DOI: 10.7270/Q2MP556R
More data for this
Ligand-Target Pair
CREB-binding protein


(Homo sapiens (Human))
BDBM50172107
PNG
(CHEMBL3810303)
Show SMILES CC(=O)n1cc(-c2c(C)[nH][nH]c2=O)c2ccccc12
Show InChI InChI=1S/C14H13N3O2/c1-8-13(14(19)16-15-8)11-7-17(9(2)18)12-6-4-3-5-10(11)12/h3-7H,1-2H3,(H2,15,16,19)
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n/an/an/a 2.00E+4n/an/an/an/an/a



University of Z£rich

Curated by ChEMBL


Assay Description
Competitive binding affinity to CBP (unknown origin) measured after 1 hr by BROMOscan assay


J Med Chem 59: 3087-97 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01757
BindingDB Entry DOI: 10.7270/Q2MP556R
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Bromodomain-containing protein 9


(Homo sapiens (Human))
BDBM50172110
PNG
(CHEMBL3809876)
Show SMILES COc1ccc(cc1)C(=O)n1[nH]c(=O)c(c1C)-c1cn(C(C)=O)c2ccccc12
Show InChI InChI=1S/C22H19N3O4/c1-13-20(18-12-24(14(2)26)19-7-5-4-6-17(18)19)21(27)23-25(13)22(28)15-8-10-16(29-3)11-9-15/h4-12H,1-3H3,(H,23,27)
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Article
PubMed
n/an/an/a 6.30E+3n/an/an/an/an/a



University of Z£rich

Curated by ChEMBL


Assay Description
Competitive binding affinity to BRD9 bromodomain (unknown origin) measured after 1 hr by BROMOscan assay


J Med Chem 59: 3087-97 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01757
BindingDB Entry DOI: 10.7270/Q2MP556R
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%