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6 similar compounds to monomer 50148549

Compile data set for download or QSAR
Wt: 251.2
BDBM50148561
Wt: 341.3
BDBM50148550
Wt: 327.3
BDBM50148552
Wt: 438.4
BDBM50148568
Wt: 453.5
BDBM50148548
Wt: 247.2
BDBM50148560

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 16 hits for monomerid = 50148561,50148550,50148552,50148568,50148548,50148560   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Transcription intermediary factor 1-alpha


(Homo sapiens (Human))
BDBM50148548
PNG
(CHEMBL3770384)
Show SMILES COc1ccc(Oc2cc3n(C)c(=O)n(C)c3cc2NS(=O)(=O)c2ccc(C)cc2)cc1
Show InChI InChI=1S/C23H23N3O5S/c1-15-5-11-18(12-6-15)32(28,29)24-19-13-20-21(26(3)23(27)25(20)2)14-22(19)31-17-9-7-16(30-4)8-10-17/h5-14,24H,1-4H3
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n/an/a 2.70E+3n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His6-SUMO-1-tagged recombinant human TRIM24 bromodomain expressed in Escherichia coli BL21(DE3)-R3-pRARE2 cells by Alpha Scr...


J Med Chem 59: 1642-7 (2016)


Article DOI: 10.1021/acs.jmedchem.5b00458
BindingDB Entry DOI: 10.7270/Q2JS9S9G
More data for this
Ligand-Target Pair
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
Inhibition of human N-terminal His-tagged KDM4A (1 to 359 residues) expressed in Escherichia coli using biotin-H3K9me3 as substrate preincubated for ...


J Med Chem 59: 1340-9 (2016)


Article DOI: 10.1021/acs.jmedchem.5b00171
BindingDB Entry DOI: 10.7270/Q22J6DRV
More data for this
Ligand-Target Pair
Bromodomain-containing protein 1


(Homo sapiens (Human))
BDBM50148548
PNG
(CHEMBL3770384)
Show SMILES COc1ccc(Oc2cc3n(C)c(=O)n(C)c3cc2NS(=O)(=O)c2ccc(C)cc2)cc1
Show InChI InChI=1S/C23H23N3O5S/c1-15-5-11-18(12-6-15)32(28,29)24-19-13-20-21(26(3)23(27)25(20)2)14-22(19)31-17-9-7-16(30-4)8-10-17/h5-14,24H,1-4H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of BRPF2 BRD1 (unknown origin) by Alpha Screen assay


J Med Chem 59: 1642-7 (2016)


Article DOI: 10.1021/acs.jmedchem.5b00458
BindingDB Entry DOI: 10.7270/Q2JS9S9G
More data for this
Ligand-Target Pair
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))
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)
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
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 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 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
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))
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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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))
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))
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))
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 770n/an/an/an/an/a



University of Z£rich

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal His-tagged KDM4A (1 to 359 residues) expressed in Escherichia coli using biotin-H3K9me3 as substrate preincubated for ...


J Med Chem 59: 1340-9 (2016)


Article DOI: 10.1021/acs.jmedchem.5b00171
BindingDB Entry DOI: 10.7270/Q22J6DRV
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Peregrin


(Homo sapiens (Human))
BDBM50148548
PNG
(CHEMBL3770384)
Show SMILES COc1ccc(Oc2cc3n(C)c(=O)n(C)c3cc2NS(=O)(=O)c2ccc(C)cc2)cc1
Show InChI InChI=1S/C23H23N3O5S/c1-15-5-11-18(12-6-15)32(28,29)24-19-13-20-21(26(3)23(27)25(20)2)14-22(19)31-17-9-7-16(30-4)8-10-17/h5-14,24H,1-4H3
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n/an/a 2.24E+3n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of BRPF1B (unknown origin) by Alpha Screen assay


J Med Chem 59: 1642-7 (2016)


Article DOI: 10.1021/acs.jmedchem.5b00458
BindingDB Entry DOI: 10.7270/Q2JS9S9G
More data for this
Ligand-Target Pair