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Compile Data Set for Download or QSAR

Found 41 hits Enz. Inhib. hit(s) with all data for entry = 50047099   
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
CREB-binding protein


(Homo sapiens (Human))
BDBM50148554
PNG
(CHEMBL3770598)
Show SMILES CCOc1ccc(cc1NC(=O)c1cc(cc(c1)-c1ccoc1)C(O)=O)C(C)=O
Show InChI InChI=1S/C22H19NO6/c1-3-29-20-5-4-14(13(2)24)11-19(20)23-21(25)17-8-16(15-6-7-28-12-15)9-18(10-17)22(26)27/h4-12H,3H2,1-2H3,(H,23,25)(H,26,27)
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n/an/a 1.00E+3n/an/an/an/an/an/a



University of Z£rich

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-tagged CREBBP using non acetylated ligand 1 as substrate incubated for 2 hrs by TR-FRET assay


J Med Chem 59: 1350-6 (2016)


Article DOI: 10.1021/acs.jmedchem.5b00172
BindingDB Entry DOI: 10.7270/Q2F47R0S
More data for this
Ligand-Target Pair
CREB-binding protein


(Homo sapiens (Human))
BDBM50148556
PNG
(CHEMBL3770322)
Show SMILES CCOc1ccc(cc1NC(=O)c1cc(COC2CCCCO2)cc(c1)C(O)=O)C(C)=O
Show InChI InChI=1S/C24H27NO7/c1-3-30-21-8-7-17(15(2)26)13-20(21)25-23(27)18-10-16(11-19(12-18)24(28)29)14-32-22-6-4-5-9-31-22/h7-8,10-13,22H,3-6,9,14H2,1-2H3,(H,25,27)(H,28,29)
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n/an/a 1.00E+3n/an/an/an/an/an/a



University of Z£rich

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-tagged CREBBP using non acetylated ligand 1 as substrate incubated for 2 hrs by TR-FRET assay


J Med Chem 59: 1350-6 (2016)


Article DOI: 10.1021/acs.jmedchem.5b00172
BindingDB Entry DOI: 10.7270/Q2F47R0S
More data for this
Ligand-Target Pair
CREB-binding protein


(Homo sapiens (Human))
BDBM50148555
PNG
(CHEMBL3771341)
Show SMILES CCOc1ccc(cc1NC(=O)c1cc(COC)cc(c1)C(O)=O)C(C)=O
Show InChI InChI=1S/C20H21NO6/c1-4-27-18-6-5-14(12(2)22)10-17(18)21-19(23)15-7-13(11-26-3)8-16(9-15)20(24)25/h5-10H,4,11H2,1-3H3,(H,21,23)(H,24,25)
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n/an/a 2.00E+3n/an/an/an/an/an/a



University of Z£rich

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-tagged CREBBP using non acetylated ligand 1 as substrate incubated for 2 hrs by TR-FRET assay


J Med Chem 59: 1350-6 (2016)


Article DOI: 10.1021/acs.jmedchem.5b00172
BindingDB Entry DOI: 10.7270/Q2F47R0S
More data for this
Ligand-Target Pair
CREB-binding protein


(Homo sapiens (Human))
BDBM50148570
PNG
(CHEMBL3770330)
Show SMILES CCOc1ccc(cc1NC(=O)c1cc(CO)cc(c1)C(O)=O)C(C)=O
Show InChI InChI=1S/C19H19NO6/c1-3-26-17-5-4-13(11(2)22)9-16(17)20-18(23)14-6-12(10-21)7-15(8-14)19(24)25/h4-9,21H,3,10H2,1-2H3,(H,20,23)(H,24,25)
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n/an/a 3.00E+3n/an/an/an/an/an/a



University of Z£rich

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-tagged CREBBP using non acetylated ligand 1 as substrate incubated for 2 hrs by TR-FRET assay


J Med Chem 59: 1350-6 (2016)


Article DOI: 10.1021/acs.jmedchem.5b00172
BindingDB Entry DOI: 10.7270/Q2F47R0S
More data for this
Ligand-Target Pair
CREB-binding protein


(Homo sapiens (Human))
BDBM50148569
PNG
(CHEMBL3770969)
Show SMILES CCOc1ccc(cc1NC(=O)c1cc(cc(c1)-c1ccncc1)C(O)=O)C(C)=O
Show InChI InChI=1S/C23H20N2O5/c1-3-30-21-5-4-16(14(2)26)13-20(21)25-22(27)18-10-17(11-19(12-18)23(28)29)15-6-8-24-9-7-15/h4-13H,3H2,1-2H3,(H,25,27)(H,28,29)
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n/an/a 3.00E+3n/an/an/an/an/an/a



University of Z£rich

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-tagged CREBBP using non acetylated ligand 1 as substrate incubated for 2 hrs by TR-FRET assay


J Med Chem 59: 1350-6 (2016)


Article DOI: 10.1021/acs.jmedchem.5b00172
BindingDB Entry DOI: 10.7270/Q2F47R0S
More data for this
Ligand-Target Pair
CREB-binding protein


(Homo sapiens (Human))
BDBM50148553
PNG
(CHEMBL3769500)
Show SMILES CCOc1ccc(cc1NC(=O)c1cccc(c1)C(=O)OC)C(C)=O
Show InChI InChI=1S/C19H19NO5/c1-4-25-17-9-8-13(12(2)21)11-16(17)20-18(22)14-6-5-7-15(10-14)19(23)24-3/h5-11H,4H2,1-3H3,(H,20,22)
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n/an/a 5.00E+3n/an/an/an/an/an/a



University of Z£rich

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-tagged CREBBP using non acetylated ligand 1 as substrate incubated for 2 hrs by TR-FRET assay


J Med Chem 59: 1350-6 (2016)


Article DOI: 10.1021/acs.jmedchem.5b00172
BindingDB Entry DOI: 10.7270/Q2F47R0S
More data for this
Ligand-Target Pair
CREB-binding protein


(Homo sapiens (Human))
BDBM50148565
PNG
(CHEMBL3771234)
Show SMILES CCCOc1ccc(cc1NC(=O)c1cccc(c1)C(O)=O)C(C)=O
Show InChI InChI=1S/C19H19NO5/c1-3-9-25-17-8-7-13(12(2)21)11-16(17)20-18(22)14-5-4-6-15(10-14)19(23)24/h4-8,10-11H,3,9H2,1-2H3,(H,20,22)(H,23,24)
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n/an/a 7.40E+3n/an/an/an/an/an/a



University of Z£rich

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-tagged CREBBP using non acetylated ligand 1 as substrate incubated for 2 hrs by TR-FRET assay


J Med Chem 59: 1350-6 (2016)


Article DOI: 10.1021/acs.jmedchem.5b00172
BindingDB Entry DOI: 10.7270/Q2F47R0S
More data for this
Ligand-Target Pair
CREB-binding protein


(Homo sapiens (Human))
BDBM50148567
PNG
(CHEMBL3771132)
Show SMILES CCOc1ccc(cc1NC(=O)c1cccc(c1)-n1cnnn1)C(C)=O
Show InChI InChI=1S/C18H17N5O3/c1-3-26-17-8-7-13(12(2)24)10-16(17)20-18(25)14-5-4-6-15(9-14)23-11-19-21-22-23/h4-11H,3H2,1-2H3,(H,20,25)
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n/an/a 7.50E+3n/an/an/an/an/an/a



University of Z£rich

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-tagged CREBBP using non acetylated ligand 1 as substrate incubated for 2 hrs by TR-FRET assay


J Med Chem 59: 1350-6 (2016)


Article DOI: 10.1021/acs.jmedchem.5b00172
BindingDB Entry DOI: 10.7270/Q2F47R0S
More data for this
Ligand-Target Pair
CREB-binding protein


(Homo sapiens (Human))
BDBM50148552
PNG
(CHEMBL3770150)
Show SMILES CCOc1ccc(cc1NC(=O)c1cccc(c1)C(O)=O)C(C)=O
Show InChI InChI=1S/C18H17NO5/c1-3-24-16-8-7-12(11(2)20)10-15(16)19-17(21)13-5-4-6-14(9-13)18(22)23/h4-10H,3H2,1-2H3,(H,19,21)(H,22,23)
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n/an/a 8.70E+3n/an/an/an/an/an/a



University of Z£rich

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-tagged CREBBP using non acetylated ligand 1 as substrate incubated for 2 hrs by TR-FRET assay


J Med Chem 59: 1350-6 (2016)


Article DOI: 10.1021/acs.jmedchem.5b00172
BindingDB Entry DOI: 10.7270/Q2F47R0S
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
CREB-binding protein


(Homo sapiens (Human))
BDBM50148568
PNG
(CHEMBL3769504)
Show SMILES CCOc1ccc(cc1NC(=O)c1cccc(c1)S(=O)(=O)Nc1ccccc1)C(C)=O
Show InChI InChI=1S/C23H22N2O5S/c1-3-30-22-13-12-17(16(2)26)15-21(22)24-23(27)18-8-7-11-20(14-18)31(28,29)25-19-9-5-4-6-10-19/h4-15,25H,3H2,1-2H3,(H,24,27)
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of Z£rich

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-tagged CREBBP using non acetylated ligand 1 as substrate incubated for 2 hrs by TR-FRET assay


J Med Chem 59: 1350-6 (2016)


Article DOI: 10.1021/acs.jmedchem.5b00172
BindingDB Entry DOI: 10.7270/Q2F47R0S
More data for this
Ligand-Target Pair
CREB-binding protein


(Homo sapiens (Human))
BDBM50148566
PNG
(CHEMBL3771036)
Show SMILES CC(=O)c1ccc(C2CC2)c(NC(=O)c2cccc(c2)C(O)=O)c1
Show InChI InChI=1S/C19H17NO4/c1-11(21)13-7-8-16(12-5-6-12)17(10-13)20-18(22)14-3-2-4-15(9-14)19(23)24/h2-4,7-10,12H,5-6H2,1H3,(H,20,22)(H,23,24)
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n/an/a 1.50E+4n/an/an/an/an/an/a



University of Z£rich

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-tagged CREBBP using non acetylated ligand 1 as substrate incubated for 2 hrs by TR-FRET assay


J Med Chem 59: 1350-6 (2016)


Article DOI: 10.1021/acs.jmedchem.5b00172
BindingDB Entry DOI: 10.7270/Q2F47R0S
More data for this
Ligand-Target Pair
CREB-binding protein


(Homo sapiens (Human))
BDBM50148562
PNG
(CHEMBL3770890)
Show SMILES CC(=O)c1cccc(NC(=O)\C=C\C(O)=O)c1
Show InChI InChI=1S/C12H11NO4/c1-8(14)9-3-2-4-10(7-9)13-11(15)5-6-12(16)17/h2-7H,1H3,(H,13,15)(H,16,17)/b6-5+
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n/an/a 3.00E+4n/an/an/an/an/an/a



University of Z£rich

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-tagged CREBBP using non acetylated ligand 1 as substrate incubated for 2 hrs by TR-FRET assay


J Med Chem 59: 1350-6 (2016)


Article DOI: 10.1021/acs.jmedchem.5b00172
BindingDB Entry DOI: 10.7270/Q2F47R0S
More data for this
Ligand-Target Pair
CREB-binding protein


(Homo sapiens (Human))
BDBM50148559
PNG
(CHEMBL3770026)
Show SMILES COc1ccc(cc1NC(=O)\C=C\C(O)=O)C(C)=O
Show InChI InChI=1S/C13H13NO5/c1-8(15)9-3-4-11(19-2)10(7-9)14-12(16)5-6-13(17)18/h3-7H,1-2H3,(H,14,16)(H,17,18)/b6-5+
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n/an/a 6.00E+4n/an/an/an/an/an/a



University of Z£rich

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-tagged CREBBP using non acetylated ligand 1 as substrate incubated for 2 hrs by TR-FRET assay


J Med Chem 59: 1350-6 (2016)


Article DOI: 10.1021/acs.jmedchem.5b00172
BindingDB Entry DOI: 10.7270/Q2F47R0S
More data for this
Ligand-Target Pair
CREB-binding protein


(Homo sapiens (Human))
BDBM50148564
PNG
(CHEMBL3771157)
Show SMILES CCOc1ccc(cc1NC(=O)c1ccccc1C(O)=O)C(C)=O
Show InChI InChI=1S/C18H17NO5/c1-3-24-16-9-8-12(11(2)20)10-15(16)19-17(21)13-6-4-5-7-14(13)18(22)23/h4-10H,3H2,1-2H3,(H,19,21)(H,22,23)
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n/an/a 6.40E+4n/an/an/an/an/an/a



University of Z£rich

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-tagged CREBBP using non acetylated ligand 1 as substrate incubated for 2 hrs by TR-FRET assay


J Med Chem 59: 1350-6 (2016)


Article DOI: 10.1021/acs.jmedchem.5b00172
BindingDB Entry DOI: 10.7270/Q2F47R0S
More data for this
Ligand-Target Pair
CREB-binding protein


(Homo sapiens (Human))
BDBM50148561
PNG
(CHEMBL3769540)
Show SMILES CC(=O)c1ccc(F)c(NC(=O)\C=C\C(O)=O)c1
Show InChI InChI=1S/C12H10FNO4/c1-7(15)8-2-3-9(13)10(6-8)14-11(16)4-5-12(17)18/h2-6H,1H3,(H,14,16)(H,17,18)/b5-4+
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of Z£rich

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-tagged CREBBP using non acetylated ligand 1 as substrate incubated for 2 hrs by TR-FRET assay


J Med Chem 59: 1350-6 (2016)


Article DOI: 10.1021/acs.jmedchem.5b00172
BindingDB Entry DOI: 10.7270/Q2F47R0S
More data for this
Ligand-Target Pair
CREB-binding protein


(Homo sapiens (Human))
BDBM50148560
PNG
(CHEMBL3769841)
Show SMILES CC(=O)c1ccc(C)c(NC(=O)\C=C\C(O)=O)c1
Show InChI InChI=1S/C13H13NO4/c1-8-3-4-10(9(2)15)7-11(8)14-12(16)5-6-13(17)18/h3-7H,1-2H3,(H,14,16)(H,17,18)/b6-5+
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University of Z£rich

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-tagged CREBBP using non acetylated ligand 1 as substrate incubated for 2 hrs by TR-FRET assay


J Med Chem 59: 1350-6 (2016)


Article DOI: 10.1021/acs.jmedchem.5b00172
BindingDB Entry DOI: 10.7270/Q2F47R0S
More data for this
Ligand-Target Pair
CREB-binding protein


(Homo sapiens (Human))
BDBM50148563
PNG
(CHEMBL3771223)
Show SMILES CCOc1ccc(cc1NC(=O)C1CC1C(O)=O)C(C)=O
Show InChI InChI=1S/C15H17NO5/c1-3-21-13-5-4-9(8(2)17)6-12(13)16-14(18)10-7-11(10)15(19)20/h4-6,10-11H,3,7H2,1-2H3,(H,16,18)(H,19,20)
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University of Z£rich

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-tagged CREBBP using non acetylated ligand 1 as substrate incubated for 2 hrs by TR-FRET assay


J Med Chem 59: 1350-6 (2016)


Article DOI: 10.1021/acs.jmedchem.5b00172
BindingDB Entry DOI: 10.7270/Q2F47R0S
More data for this
Ligand-Target Pair
Bromodomain-containing protein 2


(Homo sapiens (Human))
BDBM50148552
PNG
(CHEMBL3770150)
Show SMILES CCOc1ccc(cc1NC(=O)c1cccc(c1)C(O)=O)C(C)=O
Show InChI InChI=1S/C18H17NO5/c1-3-24-16-8-7-12(11(2)20)10-15(16)19-17(21)13-5-4-6-14(9-13)18(22)23/h4-10H,3H2,1-2H3,(H,19,21)(H,22,23)
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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 BRD2 bromodomain 2 expressed in T7 phage-infected Escherichia coli BL21(DE3) cells incubated for 1 hr by bromos...


J Med Chem 59: 1350-6 (2016)


Article DOI: 10.1021/acs.jmedchem.5b00172
BindingDB Entry DOI: 10.7270/Q2F47R0S
More data for this
Ligand-Target Pair
Bromodomain-containing protein 2


(Homo sapiens (Human))
BDBM50148554
PNG
(CHEMBL3770598)
Show SMILES CCOc1ccc(cc1NC(=O)c1cc(cc(c1)-c1ccoc1)C(O)=O)C(C)=O
Show InChI InChI=1S/C22H19NO6/c1-3-29-20-5-4-14(13(2)24)11-19(20)23-21(25)17-8-16(15-6-7-28-12-15)9-18(10-17)22(26)27/h4-12H,3H2,1-2H3,(H,23,25)(H,26,27)
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n/an/an/a 2.40E+4n/an/an/an/an/a



University of Z£rich

Curated by ChEMBL


Assay Description
Competitive binding affinity to human BRD2 bromodomain 2 expressed in T7 phage-infected Escherichia coli BL21(DE3) cells incubated for 1 hr by bromos...


J Med Chem 59: 1350-6 (2016)


Article DOI: 10.1021/acs.jmedchem.5b00172
BindingDB Entry DOI: 10.7270/Q2F47R0S
More data for this
Ligand-Target Pair
Bromodomain-containing protein 2


(Homo sapiens (Human))
BDBM50148555
PNG
(CHEMBL3771341)
Show SMILES CCOc1ccc(cc1NC(=O)c1cc(COC)cc(c1)C(O)=O)C(C)=O
Show InChI InChI=1S/C20H21NO6/c1-4-27-18-6-5-14(12(2)22)10-17(18)21-19(23)15-7-13(11-26-3)8-16(9-15)20(24)25/h5-10H,4,11H2,1-3H3,(H,21,23)(H,24,25)
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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 BRD2 bromodomain 2 expressed in T7 phage-infected Escherichia coli BL21(DE3) cells incubated for 1 hr by bromos...


J Med Chem 59: 1350-6 (2016)


Article DOI: 10.1021/acs.jmedchem.5b00172
BindingDB Entry DOI: 10.7270/Q2F47R0S
More data for this
Ligand-Target Pair
CREB-binding protein


(Homo sapiens (Human))
BDBM50148552
PNG
(CHEMBL3770150)
Show SMILES CCOc1ccc(cc1NC(=O)c1cccc(c1)C(O)=O)C(C)=O
Show InChI InChI=1S/C18H17NO5/c1-3-24-16-8-7-12(11(2)20)10-15(16)19-17(21)13-5-4-6-14(9-13)18(22)23/h4-10H,3H2,1-2H3,(H,19,21)(H,22,23)
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n/an/an/a 2.00E+3n/an/an/an/an/a



University of Z£rich

Curated by ChEMBL


Assay Description
Binding affinity to human His-tagged CREBBP expressed in Escherichia coli BL21(DE3) cells by isothermal titration calorimetry


J Med Chem 59: 1350-6 (2016)


Article DOI: 10.1021/acs.jmedchem.5b00172
BindingDB Entry DOI: 10.7270/Q2F47R0S
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
CREB-binding protein


(Homo sapiens (Human))
BDBM50148554
PNG
(CHEMBL3770598)
Show SMILES CCOc1ccc(cc1NC(=O)c1cc(cc(c1)-c1ccoc1)C(O)=O)C(C)=O
Show InChI InChI=1S/C22H19NO6/c1-3-29-20-5-4-14(13(2)24)11-19(20)23-21(25)17-8-16(15-6-7-28-12-15)9-18(10-17)22(26)27/h4-12H,3H2,1-2H3,(H,23,25)(H,26,27)
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n/an/an/a 300n/an/an/an/an/a



University of Z£rich

Curated by ChEMBL


Assay Description
Binding affinity to human His-tagged CREBBP expressed in Escherichia coli BL21(DE3) cells by isothermal titration calorimetry


J Med Chem 59: 1350-6 (2016)


Article DOI: 10.1021/acs.jmedchem.5b00172
BindingDB Entry DOI: 10.7270/Q2F47R0S
More data for this
Ligand-Target Pair
CREB-binding protein


(Homo sapiens (Human))
BDBM50148555
PNG
(CHEMBL3771341)
Show SMILES CCOc1ccc(cc1NC(=O)c1cc(COC)cc(c1)C(O)=O)C(C)=O
Show InChI InChI=1S/C20H21NO6/c1-4-27-18-6-5-14(12(2)22)10-17(18)21-19(23)15-7-13(11-26-3)8-16(9-15)20(24)25/h5-10H,4,11H2,1-3H3,(H,21,23)(H,24,25)
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n/an/an/a 800n/an/an/an/an/a



University of Z£rich

Curated by ChEMBL


Assay Description
Binding affinity to human His-tagged CREBBP expressed in Escherichia coli BL21(DE3) cells by isothermal titration calorimetry


J Med Chem 59: 1350-6 (2016)


Article DOI: 10.1021/acs.jmedchem.5b00172
BindingDB Entry DOI: 10.7270/Q2F47R0S
More data for this
Ligand-Target Pair
Bromodomain-containing protein 2


(Homo sapiens (Human))
BDBM50148555
PNG
(CHEMBL3771341)
Show SMILES CCOc1ccc(cc1NC(=O)c1cc(COC)cc(c1)C(O)=O)C(C)=O
Show InChI InChI=1S/C20H21NO6/c1-4-27-18-6-5-14(12(2)22)10-17(18)21-19(23)15-7-13(11-26-3)8-16(9-15)20(24)25/h5-10H,4,11H2,1-3H3,(H,21,23)(H,24,25)
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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 BRD2 bromodomain 1 expressed in T7 phage-infected Escherichia coli BL21(DE3) cells incubated for 1 hr by bromos...


J Med Chem 59: 1350-6 (2016)


Article DOI: 10.1021/acs.jmedchem.5b00172
BindingDB Entry DOI: 10.7270/Q2F47R0S
More data for this
Ligand-Target Pair
Bromodomain-containing protein 2


(Homo sapiens (Human))
BDBM50148554
PNG
(CHEMBL3770598)
Show SMILES CCOc1ccc(cc1NC(=O)c1cc(cc(c1)-c1ccoc1)C(O)=O)C(C)=O
Show InChI InChI=1S/C22H19NO6/c1-3-29-20-5-4-14(13(2)24)11-19(20)23-21(25)17-8-16(15-6-7-28-12-15)9-18(10-17)22(26)27/h4-12H,3H2,1-2H3,(H,23,25)(H,26,27)
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n/an/an/a 2.40E+4n/an/an/an/an/a



University of Z£rich

Curated by ChEMBL


Assay Description
Competitive binding affinity to human BRD2 bromodomain 1 expressed in T7 phage-infected Escherichia coli BL21(DE3) cells incubated for 1 hr by bromos...


J Med Chem 59: 1350-6 (2016)


Article DOI: 10.1021/acs.jmedchem.5b00172
BindingDB Entry DOI: 10.7270/Q2F47R0S
More data for this
Ligand-Target Pair
Bromodomain-containing protein 2


(Homo sapiens (Human))
BDBM50148552
PNG
(CHEMBL3770150)
Show SMILES CCOc1ccc(cc1NC(=O)c1cccc(c1)C(O)=O)C(C)=O
Show InChI InChI=1S/C18H17NO5/c1-3-24-16-8-7-12(11(2)20)10-15(16)19-17(21)13-5-4-6-14(9-13)18(22)23/h4-10H,3H2,1-2H3,(H,19,21)(H,22,23)
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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 BRD2 bromodomain 1 expressed in T7 phage-infected Escherichia coli BL21(DE3) cells incubated for 1 hr by bromos...


J Med Chem 59: 1350-6 (2016)


Article DOI: 10.1021/acs.jmedchem.5b00172
BindingDB Entry DOI: 10.7270/Q2F47R0S
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50148555
PNG
(CHEMBL3771341)
Show SMILES CCOc1ccc(cc1NC(=O)c1cc(COC)cc(c1)C(O)=O)C(C)=O
Show InChI InChI=1S/C20H21NO6/c1-4-27-18-6-5-14(12(2)22)10-17(18)21-19(23)15-7-13(11-26-3)8-16(9-15)20(24)25/h5-10H,4,11H2,1-3H3,(H,21,23)(H,24,25)
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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 BRD4 bromodomain 2 expressed in T7 phage-infected Escherichia coli BL21(DE3) cells incubated for 1 hr by bromos...


J Med Chem 59: 1350-6 (2016)


Article DOI: 10.1021/acs.jmedchem.5b00172
BindingDB Entry DOI: 10.7270/Q2F47R0S
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50148554
PNG
(CHEMBL3770598)
Show SMILES CCOc1ccc(cc1NC(=O)c1cc(cc(c1)-c1ccoc1)C(O)=O)C(C)=O
Show InChI InChI=1S/C22H19NO6/c1-3-29-20-5-4-14(13(2)24)11-19(20)23-21(25)17-8-16(15-6-7-28-12-15)9-18(10-17)22(26)27/h4-12H,3H2,1-2H3,(H,23,25)(H,26,27)
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n/an/an/a>3.60E+4n/an/an/an/an/a



University of Z£rich

Curated by ChEMBL


Assay Description
Competitive binding affinity to human BRD4 bromodomain 2 expressed in T7 phage-infected Escherichia coli BL21(DE3) cells incubated for 1 hr by bromos...


J Med Chem 59: 1350-6 (2016)


Article DOI: 10.1021/acs.jmedchem.5b00172
BindingDB Entry DOI: 10.7270/Q2F47R0S
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50148552
PNG
(CHEMBL3770150)
Show SMILES CCOc1ccc(cc1NC(=O)c1cccc(c1)C(O)=O)C(C)=O
Show InChI InChI=1S/C18H17NO5/c1-3-24-16-8-7-12(11(2)20)10-15(16)19-17(21)13-5-4-6-14(9-13)18(22)23/h4-10H,3H2,1-2H3,(H,19,21)(H,22,23)
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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 BRD4 bromodomain 2 expressed in T7 phage-infected Escherichia coli BL21(DE3) cells incubated for 1 hr by bromos...


J Med Chem 59: 1350-6 (2016)


Article DOI: 10.1021/acs.jmedchem.5b00172
BindingDB Entry DOI: 10.7270/Q2F47R0S
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50148555
PNG
(CHEMBL3771341)
Show SMILES CCOc1ccc(cc1NC(=O)c1cc(COC)cc(c1)C(O)=O)C(C)=O
Show InChI InChI=1S/C20H21NO6/c1-4-27-18-6-5-14(12(2)22)10-17(18)21-19(23)15-7-13(11-26-3)8-16(9-15)20(24)25/h5-10H,4,11H2,1-3H3,(H,21,23)(H,24,25)
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n/an/an/a 2.50E+4n/an/an/an/an/a



University of Z£rich

Curated by ChEMBL


Assay Description
Competitive binding affinity to human BRD4 bromodomain 1 expressed in T7 phage-infected Escherichia coli BL21(DE3) cells incubated for 1 hr by bromos...


J Med Chem 59: 1350-6 (2016)


Article DOI: 10.1021/acs.jmedchem.5b00172
BindingDB Entry DOI: 10.7270/Q2F47R0S
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50148554
PNG
(CHEMBL3770598)
Show SMILES CCOc1ccc(cc1NC(=O)c1cc(cc(c1)-c1ccoc1)C(O)=O)C(C)=O
Show InChI InChI=1S/C22H19NO6/c1-3-29-20-5-4-14(13(2)24)11-19(20)23-21(25)17-8-16(15-6-7-28-12-15)9-18(10-17)22(26)27/h4-12H,3H2,1-2H3,(H,23,25)(H,26,27)
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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 human BRD4 bromodomain 1 expressed in T7 phage-infected Escherichia coli BL21(DE3) cells incubated for 1 hr by bromos...


J Med Chem 59: 1350-6 (2016)


Article DOI: 10.1021/acs.jmedchem.5b00172
BindingDB Entry DOI: 10.7270/Q2F47R0S
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50148552
PNG
(CHEMBL3770150)
Show SMILES CCOc1ccc(cc1NC(=O)c1cccc(c1)C(O)=O)C(C)=O
Show InChI InChI=1S/C18H17NO5/c1-3-24-16-8-7-12(11(2)20)10-15(16)19-17(21)13-5-4-6-14(9-13)18(22)23/h4-10H,3H2,1-2H3,(H,19,21)(H,22,23)
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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 BRD4 bromodomain 1 expressed in T7 phage-infected Escherichia coli BL21(DE3) cells incubated for 1 hr by bromos...


J Med Chem 59: 1350-6 (2016)


Article DOI: 10.1021/acs.jmedchem.5b00172
BindingDB Entry DOI: 10.7270/Q2F47R0S
More data for this
Ligand-Target Pair
CREB-binding protein


(Homo sapiens (Human))
BDBM50148558
PNG
(CHEMBL3771369)
Show SMILES CCOc1ccc(cc1NC(=O)c1cccc(c1)C(O)=O)C(=O)NC
Show InChI InChI=1S/C18H18N2O5/c1-3-25-15-8-7-12(16(21)19-2)10-14(15)20-17(22)11-5-4-6-13(9-11)18(23)24/h4-10H,3H2,1-2H3,(H,19,21)(H,20,22)(H,23,24)
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n/an/an/a 3.70E+4n/an/an/an/an/a



University of Z£rich

Curated by ChEMBL


Assay Description
Competitive binding affinity to human His-tagged CREBBP expressed in T7 phage-infected Escherichia coli BL21(DE3) cells incubated for 1 hr by bromosc...


J Med Chem 59: 1350-6 (2016)


Article DOI: 10.1021/acs.jmedchem.5b00172
BindingDB Entry DOI: 10.7270/Q2F47R0S
More data for this
Ligand-Target Pair
CREB-binding protein


(Homo sapiens (Human))
BDBM50148557
PNG
(CHEMBL3770877)
Show SMILES CCOc1ccc(cc1C(=O)Nc1cccc(c1)C(O)=O)C(C)=O
Show InChI InChI=1S/C18H17NO5/c1-3-24-16-8-7-12(11(2)20)10-15(16)17(21)19-14-6-4-5-13(9-14)18(22)23/h4-10H,3H2,1-2H3,(H,19,21)(H,22,23)
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n/an/an/a 2.50E+3n/an/an/an/an/a



University of Z£rich

Curated by ChEMBL


Assay Description
Competitive binding affinity to human His-tagged CREBBP expressed in T7 phage-infected Escherichia coli BL21(DE3) cells incubated for 1 hr by bromosc...


J Med Chem 59: 1350-6 (2016)


Article DOI: 10.1021/acs.jmedchem.5b00172
BindingDB Entry DOI: 10.7270/Q2F47R0S
More data for this
Ligand-Target Pair
CREB-binding protein


(Homo sapiens (Human))
BDBM50148556
PNG
(CHEMBL3770322)
Show SMILES CCOc1ccc(cc1NC(=O)c1cc(COC2CCCCO2)cc(c1)C(O)=O)C(C)=O
Show InChI InChI=1S/C24H27NO7/c1-3-30-21-8-7-17(15(2)26)13-20(21)25-23(27)18-10-16(11-19(12-18)24(28)29)14-32-22-6-4-5-9-31-22/h7-8,10-13,22H,3-6,9,14H2,1-2H3,(H,25,27)(H,28,29)
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n/an/an/a 370n/an/an/an/an/a



University of Z£rich

Curated by ChEMBL


Assay Description
Competitive binding affinity to human His-tagged CREBBP expressed in T7 phage-infected Escherichia coli BL21(DE3) cells incubated for 1 hr by bromosc...


J Med Chem 59: 1350-6 (2016)


Article DOI: 10.1021/acs.jmedchem.5b00172
BindingDB Entry DOI: 10.7270/Q2F47R0S
More data for this
Ligand-Target Pair
CREB-binding protein


(Homo sapiens (Human))
BDBM50148555
PNG
(CHEMBL3771341)
Show SMILES CCOc1ccc(cc1NC(=O)c1cc(COC)cc(c1)C(O)=O)C(C)=O
Show InChI InChI=1S/C20H21NO6/c1-4-27-18-6-5-14(12(2)22)10-17(18)21-19(23)15-7-13(11-26-3)8-16(9-15)20(24)25/h5-10H,4,11H2,1-3H3,(H,21,23)(H,24,25)
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n/an/an/a 530n/an/an/an/an/a



University of Z£rich

Curated by ChEMBL


Assay Description
Competitive binding affinity to human His-tagged CREBBP expressed in T7 phage-infected Escherichia coli BL21(DE3) cells incubated for 1 hr by bromosc...


J Med Chem 59: 1350-6 (2016)


Article DOI: 10.1021/acs.jmedchem.5b00172
BindingDB Entry DOI: 10.7270/Q2F47R0S
More data for this
Ligand-Target Pair
CREB-binding protein


(Homo sapiens (Human))
BDBM50148554
PNG
(CHEMBL3770598)
Show SMILES CCOc1ccc(cc1NC(=O)c1cc(cc(c1)-c1ccoc1)C(O)=O)C(C)=O
Show InChI InChI=1S/C22H19NO6/c1-3-29-20-5-4-14(13(2)24)11-19(20)23-21(25)17-8-16(15-6-7-28-12-15)9-18(10-17)22(26)27/h4-12H,3H2,1-2H3,(H,23,25)(H,26,27)
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n/an/an/a 170n/an/an/an/an/a



University of Z£rich

Curated by ChEMBL


Assay Description
Competitive binding affinity to human His-tagged CREBBP expressed in T7 phage-infected Escherichia coli BL21(DE3) cells incubated for 1 hr by bromosc...


J Med Chem 59: 1350-6 (2016)


Article DOI: 10.1021/acs.jmedchem.5b00172
BindingDB Entry DOI: 10.7270/Q2F47R0S
More data for this
Ligand-Target Pair
CREB-binding protein


(Homo sapiens (Human))
BDBM50148553
PNG
(CHEMBL3769500)
Show SMILES CCOc1ccc(cc1NC(=O)c1cccc(c1)C(=O)OC)C(C)=O
Show InChI InChI=1S/C19H19NO5/c1-4-25-17-9-8-13(12(2)21)11-16(17)20-18(22)14-6-5-7-15(10-14)19(23)24-3/h5-11H,4H2,1-3H3,(H,20,22)
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n/an/an/a 490n/an/an/an/an/a



University of Z£rich

Curated by ChEMBL


Assay Description
Competitive binding affinity to human His-tagged CREBBP expressed in T7 phage-infected Escherichia coli BL21(DE3) cells incubated for 1 hr by bromosc...


J Med Chem 59: 1350-6 (2016)


Article DOI: 10.1021/acs.jmedchem.5b00172
BindingDB Entry DOI: 10.7270/Q2F47R0S
More data for this
Ligand-Target Pair
CREB-binding protein


(Homo sapiens (Human))
BDBM50148552
PNG
(CHEMBL3770150)
Show SMILES CCOc1ccc(cc1NC(=O)c1cccc(c1)C(O)=O)C(C)=O
Show InChI InChI=1S/C18H17NO5/c1-3-24-16-8-7-12(11(2)20)10-15(16)19-17(21)13-5-4-6-14(9-13)18(22)23/h4-10H,3H2,1-2H3,(H,19,21)(H,22,23)
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n/an/an/a 670n/an/an/an/an/a



University of Z£rich

Curated by ChEMBL


Assay Description
Competitive binding affinity to human His-tagged CREBBP expressed in T7 phage-infected Escherichia coli BL21(DE3) cells incubated for 1 hr by bromosc...


J Med Chem 59: 1350-6 (2016)


Article DOI: 10.1021/acs.jmedchem.5b00172
BindingDB Entry DOI: 10.7270/Q2F47R0S
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
CREB-binding protein


(Homo sapiens (Human))
BDBM50148550
PNG
(CHEMBL3770132)
Show SMILES CC(=O)c1cccc(NC(=O)c2c(C)c(C)sc2-n2cnnn2)c1
Show InChI InChI=1S/C16H15N5O2S/c1-9-11(3)24-16(21-8-17-19-20-21)14(9)15(23)18-13-6-4-5-12(7-13)10(2)22/h4-8H,1-3H3,(H,18,23)
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n/an/an/a 2.90E+4n/an/an/an/an/a



University of Z£rich

Curated by ChEMBL


Assay Description
Competitive binding affinity to human His-tagged CREBBP expressed in T7 phage-infected Escherichia coli BL21(DE3) cells incubated for 1 hr by bromosc...


J Med Chem 59: 1350-6 (2016)


Article DOI: 10.1021/acs.jmedchem.5b00172
BindingDB Entry DOI: 10.7270/Q2F47R0S
More data for this
Ligand-Target Pair
CREB-binding protein


(Homo sapiens (Human))
BDBM50148551
PNG
(CHEMBL3769993)
Show SMILES CCOc1ccc(cc1NC(=O)\C=C\C(O)=O)C(C)=O
Show InChI InChI=1S/C14H15NO5/c1-3-20-12-5-4-10(9(2)16)8-11(12)15-13(17)6-7-14(18)19/h4-8H,3H2,1-2H3,(H,15,17)(H,18,19)/b7-6+
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UniChem

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Article
PubMed
n/an/an/a 4.70E+3n/an/an/an/an/a



University of Z£rich

Curated by ChEMBL


Assay Description
Competitive binding affinity to human His-tagged CREBBP expressed in T7 phage-infected Escherichia coli BL21(DE3) cells incubated for 1 hr by bromosc...


J Med Chem 59: 1350-6 (2016)


Article DOI: 10.1021/acs.jmedchem.5b00172
BindingDB Entry DOI: 10.7270/Q2F47R0S
More data for this
Ligand-Target Pair