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6 similar compounds to monomer 154550

Wt: 299.2
BDBM154547
Wt: 327.2
BDBM154548
Wt: 313.2
BDBM154545
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Wt: 285.1
BDBM154546
Wt: 268.1
BDBM55397
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Wt: 337.2
BDBM50440618
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 40 hits for monomerid = 154547,154548,154545,154546,55397,50440618   
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
neutrophil cytosolic factor 1


(Homo sapiens)
BDBM55397
PNG
((3-bromanyl-4-methyl-phenyl)-pyrrolidin-1-yl-metha...)
Show SMILES Cc1ccc(cc1Br)C(=O)N1CCCC1
Show InChI InChI=1S/C12H14BrNO/c1-9-4-5-10(8-11(9)13)12(15)14-6-2-3-7-14/h4-5,8H,2-3,6-7H2,1H3
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n/an/a 5.00E+4n/an/an/an/an/an/a



Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Susan Smith, Emory Univers...


Citation and Details
More data for this
Ligand-Target Pair
Lethal(3)malignant brain tumor-like protein 1 (L3MBTL1)


(Homo sapiens (Human))
BDBM50440618
PNG
(CHEMBL2426369)
Show SMILES Brc1cccc(c1)C(=O)N1CCC(CC1)N1CCCC1
Show InChI InChI=1S/C16H21BrN2O/c17-14-5-3-4-13(12-14)16(20)19-10-6-15(7-11-19)18-8-1-2-9-18/h3-5,12,15H,1-2,6-11H2
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n/an/a 4.70E+3n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of L3MBTL1 (unknown origin) after 30 mins by AlphaScreen assay


J Med Chem 56: 7358-71 (2013)

More data for this
Ligand-Target Pair
Methyl-lysine binding protein (53BP1)


(Homo sapiens)
BDBM154546
PNG
(3-Bromo-N-(3-(dimethylamino)propyl)benzamide (2))
Show SMILES CN(C)CCCNC(=O)c1cccc(Br)c1
Show InChI InChI=1S/C12H17BrN2O/c1-15(2)8-4-7-14-12(16)10-5-3-6-11(13)9-10/h3,5-6,9H,4,7-8H2,1-2H3,(H,14,16)
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n/an/a>1.00E+5n/an/an/an/a8.01,663.9



University of North Carolina at Chapel Hill



Assay Description
In brief, compound plates (1 μL at 10 mM highest concentration; 3-fold, 10-point dilutions in DMSO) were diluted in 1X assay buffer (20 mM TRIS ...


ACS Chem Biol 10: 1072-81 (2015)

More data for this
Ligand-Target Pair
Methyl-lysine binding protein (53BP1)


(Homo sapiens)
BDBM154547
PNG
(3-Bromo-N-(3-(isopropylamino)propyl)benzamide (3))
Show SMILES CC(C)NCCCNC(=O)c1cccc(Br)c1
Show InChI InChI=1S/C13H19BrN2O/c1-10(2)15-7-4-8-16-13(17)11-5-3-6-12(14)9-11/h3,5-6,9-10,15H,4,7-8H2,1-2H3,(H,16,17)
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n/an/a>1.00E+5n/an/an/an/a8.01,663.9



University of North Carolina at Chapel Hill



Assay Description
In brief, compound plates (1 μL at 10 mM highest concentration; 3-fold, 10-point dilutions in DMSO) were diluted in 1X assay buffer (20 mM TRIS ...


ACS Chem Biol 10: 1072-81 (2015)

More data for this
Ligand-Target Pair
Methyl-lysine binding protein (53BP1)


(Homo sapiens)
BDBM154548
PNG
(3-Bromo-N-(3-(tert-butyl(methyl)amino)propyl)benza...)
Show SMILES CN(CCCNC(=O)c1cccc(Br)c1)C(C)(C)C
Show InChI InChI=1S/C15H23BrN2O/c1-15(2,3)18(4)10-6-9-17-14(19)12-7-5-8-13(16)11-12/h5,7-8,11H,6,9-10H2,1-4H3,(H,17,19)
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n/an/a>5.00E+5n/an/an/an/a8.01,663.9



University of North Carolina at Chapel Hill



Assay Description
In brief, compound plates (1 μL at 10 mM highest concentration; 3-fold, 10-point dilutions in DMSO) were diluted in 1X assay buffer (20 mM TRIS ...


ACS Chem Biol 10: 1072-81 (2015)

More data for this
Ligand-Target Pair
Chromobox protein homolog 7 (CBX7)


(Homo sapiens (Human))
BDBM154545
PNG
(3-Bromo-N-(3-(tert-butylamino)propyl)benzamide (UN...)
Show SMILES CC(C)(C)NCCCNC(=O)c1cccc(Br)c1
Show InChI InChI=1S/C14H21BrN2O/c1-14(2,3)17-9-5-8-16-13(18)11-6-4-7-12(15)10-11/h4,6-7,10,17H,5,8-9H2,1-3H3,(H,16,18)
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n/an/a>5.00E+5n/an/an/an/a8.01,663.9



University of North Carolina at Chapel Hill



Assay Description
In brief, compound plates (1 μL at 10 mM highest concentration; 3-fold, 10-point dilutions in DMSO) were diluted in 1X assay buffer (20 mM TRIS ...


ACS Chem Biol 10: 1072-81 (2015)

More data for this
Ligand-Target Pair
Chromobox protein homolog 7 (CBX7)


(Homo sapiens (Human))
BDBM154546
PNG
(3-Bromo-N-(3-(dimethylamino)propyl)benzamide (2))
Show SMILES CN(C)CCCNC(=O)c1cccc(Br)c1
Show InChI InChI=1S/C12H17BrN2O/c1-15(2)8-4-7-14-12(16)10-5-3-6-11(13)9-10/h3,5-6,9H,4,7-8H2,1-2H3,(H,14,16)
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n/an/a>1.00E+5n/an/an/an/a8.01,663.9



University of North Carolina at Chapel Hill



Assay Description
In brief, compound plates (1 μL at 10 mM highest concentration; 3-fold, 10-point dilutions in DMSO) were diluted in 1X assay buffer (20 mM TRIS ...


ACS Chem Biol 10: 1072-81 (2015)

More data for this
Ligand-Target Pair
Chromobox protein homolog 7 (CBX7)


(Homo sapiens (Human))
BDBM154547
PNG
(3-Bromo-N-(3-(isopropylamino)propyl)benzamide (3))
Show SMILES CC(C)NCCCNC(=O)c1cccc(Br)c1
Show InChI InChI=1S/C13H19BrN2O/c1-10(2)15-7-4-8-16-13(17)11-5-3-6-12(14)9-11/h3,5-6,9-10,15H,4,7-8H2,1-2H3,(H,16,17)
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n/an/a>1.00E+5n/an/an/an/a8.01,663.9



University of North Carolina at Chapel Hill



Assay Description
In brief, compound plates (1 μL at 10 mM highest concentration; 3-fold, 10-point dilutions in DMSO) were diluted in 1X assay buffer (20 mM TRIS ...


ACS Chem Biol 10: 1072-81 (2015)

More data for this
Ligand-Target Pair
Chromobox protein homolog 7 (CBX7)


(Homo sapiens (Human))
BDBM154548
PNG
(3-Bromo-N-(3-(tert-butyl(methyl)amino)propyl)benza...)
Show SMILES CN(CCCNC(=O)c1cccc(Br)c1)C(C)(C)C
Show InChI InChI=1S/C15H23BrN2O/c1-15(2,3)18(4)10-6-9-17-14(19)12-7-5-8-13(16)11-12/h5,7-8,11H,6,9-10H2,1-4H3,(H,17,19)
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n/an/a>5.00E+5n/an/an/an/a8.01,663.9



University of North Carolina at Chapel Hill



Assay Description
In brief, compound plates (1 μL at 10 mM highest concentration; 3-fold, 10-point dilutions in DMSO) were diluted in 1X assay buffer (20 mM TRIS ...


ACS Chem Biol 10: 1072-81 (2015)

More data for this
Ligand-Target Pair
Histone demethylase JARID1A


(Homo sapiens (Human))
BDBM154545
PNG
(3-Bromo-N-(3-(tert-butylamino)propyl)benzamide (UN...)
Show SMILES CC(C)(C)NCCCNC(=O)c1cccc(Br)c1
Show InChI InChI=1S/C14H21BrN2O/c1-14(2,3)17-9-5-8-16-13(18)11-6-4-7-12(15)10-11/h4,6-7,10,17H,5,8-9H2,1-3H3,(H,16,18)
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n/an/a>5.00E+5n/an/an/an/a8.01,663.9



University of North Carolina at Chapel Hill



Assay Description
In brief, compound plates (1 μL at 10 mM highest concentration; 3-fold, 10-point dilutions in DMSO) were diluted in 1X assay buffer (20 mM TRIS ...


ACS Chem Biol 10: 1072-81 (2015)

More data for this
Ligand-Target Pair
Histone demethylase JARID1A


(Homo sapiens (Human))
BDBM154546
PNG
(3-Bromo-N-(3-(dimethylamino)propyl)benzamide (2))
Show SMILES CN(C)CCCNC(=O)c1cccc(Br)c1
Show InChI InChI=1S/C12H17BrN2O/c1-15(2)8-4-7-14-12(16)10-5-3-6-11(13)9-10/h3,5-6,9H,4,7-8H2,1-2H3,(H,14,16)
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n/an/a>1.00E+5n/an/an/an/a8.01,663.9



University of North Carolina at Chapel Hill



Assay Description
In brief, compound plates (1 μL at 10 mM highest concentration; 3-fold, 10-point dilutions in DMSO) were diluted in 1X assay buffer (20 mM TRIS ...


ACS Chem Biol 10: 1072-81 (2015)

More data for this
Ligand-Target Pair
Histone demethylase JARID1A


(Homo sapiens (Human))
BDBM154547
PNG
(3-Bromo-N-(3-(isopropylamino)propyl)benzamide (3))
Show SMILES CC(C)NCCCNC(=O)c1cccc(Br)c1
Show InChI InChI=1S/C13H19BrN2O/c1-10(2)15-7-4-8-16-13(17)11-5-3-6-12(14)9-11/h3,5-6,9-10,15H,4,7-8H2,1-2H3,(H,16,17)
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n/an/a>1.00E+5n/an/an/an/a8.01,663.9



University of North Carolina at Chapel Hill



Assay Description
In brief, compound plates (1 μL at 10 mM highest concentration; 3-fold, 10-point dilutions in DMSO) were diluted in 1X assay buffer (20 mM TRIS ...


ACS Chem Biol 10: 1072-81 (2015)

More data for this
Ligand-Target Pair
Histone demethylase JARID1A


(Homo sapiens (Human))
BDBM154548
PNG
(3-Bromo-N-(3-(tert-butyl(methyl)amino)propyl)benza...)
Show SMILES CN(CCCNC(=O)c1cccc(Br)c1)C(C)(C)C
Show InChI InChI=1S/C15H23BrN2O/c1-15(2,3)18(4)10-6-9-17-14(19)12-7-5-8-13(16)11-12/h5,7-8,11H,6,9-10H2,1-4H3,(H,17,19)
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n/an/a>5.00E+5n/an/an/an/a8.01,663.9



University of North Carolina at Chapel Hill



Assay Description
In brief, compound plates (1 μL at 10 mM highest concentration; 3-fold, 10-point dilutions in DMSO) were diluted in 1X assay buffer (20 mM TRIS ...


ACS Chem Biol 10: 1072-81 (2015)

More data for this
Ligand-Target Pair
PHD finger protein 1 (PHF1)


(Homo sapiens (Human))
BDBM154545
PNG
(3-Bromo-N-(3-(tert-butylamino)propyl)benzamide (UN...)
Show SMILES CC(C)(C)NCCCNC(=O)c1cccc(Br)c1
Show InChI InChI=1S/C14H21BrN2O/c1-14(2,3)17-9-5-8-16-13(18)11-6-4-7-12(15)10-11/h4,6-7,10,17H,5,8-9H2,1-3H3,(H,16,18)
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n/an/a>5.00E+5n/an/an/an/a8.01,663.9



University of North Carolina at Chapel Hill



Assay Description
In brief, compound plates (1 μL at 10 mM highest concentration; 3-fold, 10-point dilutions in DMSO) were diluted in 1X assay buffer (20 mM TRIS ...


ACS Chem Biol 10: 1072-81 (2015)

More data for this
Ligand-Target Pair
PHD finger protein 1 (PHF1)


(Homo sapiens (Human))
BDBM154546
PNG
(3-Bromo-N-(3-(dimethylamino)propyl)benzamide (2))
Show SMILES CN(C)CCCNC(=O)c1cccc(Br)c1
Show InChI InChI=1S/C12H17BrN2O/c1-15(2)8-4-7-14-12(16)10-5-3-6-11(13)9-10/h3,5-6,9H,4,7-8H2,1-2H3,(H,14,16)
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n/an/a>1.00E+5n/an/an/an/a8.01,663.9



University of North Carolina at Chapel Hill



Assay Description
In brief, compound plates (1 μL at 10 mM highest concentration; 3-fold, 10-point dilutions in DMSO) were diluted in 1X assay buffer (20 mM TRIS ...


ACS Chem Biol 10: 1072-81 (2015)

More data for this
Ligand-Target Pair
PHD finger protein 1 (PHF1)


(Homo sapiens (Human))
BDBM154547
PNG
(3-Bromo-N-(3-(isopropylamino)propyl)benzamide (3))
Show SMILES CC(C)NCCCNC(=O)c1cccc(Br)c1
Show InChI InChI=1S/C13H19BrN2O/c1-10(2)15-7-4-8-16-13(17)11-5-3-6-12(14)9-11/h3,5-6,9-10,15H,4,7-8H2,1-2H3,(H,16,17)
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n/an/a 8.20E+4n/an/an/an/a8.01,663.9



University of North Carolina at Chapel Hill



Assay Description
In brief, compound plates (1 μL at 10 mM highest concentration; 3-fold, 10-point dilutions in DMSO) were diluted in 1X assay buffer (20 mM TRIS ...


ACS Chem Biol 10: 1072-81 (2015)

More data for this
Ligand-Target Pair
PHD finger protein 1 (PHF1)


(Homo sapiens (Human))
BDBM154548
PNG
(3-Bromo-N-(3-(tert-butyl(methyl)amino)propyl)benza...)
Show SMILES CN(CCCNC(=O)c1cccc(Br)c1)C(C)(C)C
Show InChI InChI=1S/C15H23BrN2O/c1-15(2,3)18(4)10-6-9-17-14(19)12-7-5-8-13(16)11-12/h5,7-8,11H,6,9-10H2,1-4H3,(H,17,19)
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n/an/a>5.00E+5n/an/an/an/a8.01,663.9



University of North Carolina at Chapel Hill



Assay Description
In brief, compound plates (1 μL at 10 mM highest concentration; 3-fold, 10-point dilutions in DMSO) were diluted in 1X assay buffer (20 mM TRIS ...


ACS Chem Biol 10: 1072-81 (2015)

More data for this
Ligand-Target Pair
PHD finger protein 19 (PHF19)


(Homo sapiens (Human))
BDBM154545
PNG
(3-Bromo-N-(3-(tert-butylamino)propyl)benzamide (UN...)
Show SMILES CC(C)(C)NCCCNC(=O)c1cccc(Br)c1
Show InChI InChI=1S/C14H21BrN2O/c1-14(2,3)17-9-5-8-16-13(18)11-6-4-7-12(15)10-11/h4,6-7,10,17H,5,8-9H2,1-3H3,(H,16,18)
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n/an/a>5.00E+5n/an/an/an/a8.01,663.9



University of North Carolina at Chapel Hill



Assay Description
In brief, compound plates (1 μL at 10 mM highest concentration; 3-fold, 10-point dilutions in DMSO) were diluted in 1X assay buffer (20 mM TRIS ...


ACS Chem Biol 10: 1072-81 (2015)

More data for this
Ligand-Target Pair
PHD finger protein 19 (PHF19)


(Homo sapiens (Human))
BDBM154546
PNG
(3-Bromo-N-(3-(dimethylamino)propyl)benzamide (2))
Show SMILES CN(C)CCCNC(=O)c1cccc(Br)c1
Show InChI InChI=1S/C12H17BrN2O/c1-15(2)8-4-7-14-12(16)10-5-3-6-11(13)9-10/h3,5-6,9H,4,7-8H2,1-2H3,(H,14,16)
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n/an/a>1.00E+5n/an/an/an/a8.01,663.9



University of North Carolina at Chapel Hill



Assay Description
In brief, compound plates (1 μL at 10 mM highest concentration; 3-fold, 10-point dilutions in DMSO) were diluted in 1X assay buffer (20 mM TRIS ...


ACS Chem Biol 10: 1072-81 (2015)

More data for this
Ligand-Target Pair
PHD finger protein 19 (PHF19)


(Homo sapiens (Human))
BDBM154547
PNG
(3-Bromo-N-(3-(isopropylamino)propyl)benzamide (3))
Show SMILES CC(C)NCCCNC(=O)c1cccc(Br)c1
Show InChI InChI=1S/C13H19BrN2O/c1-10(2)15-7-4-8-16-13(17)11-5-3-6-12(14)9-11/h3,5-6,9-10,15H,4,7-8H2,1-2H3,(H,16,17)
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n/an/a 6.10E+4n/an/an/an/a8.01,663.9



University of North Carolina at Chapel Hill



Assay Description
In brief, compound plates (1 μL at 10 mM highest concentration; 3-fold, 10-point dilutions in DMSO) were diluted in 1X assay buffer (20 mM TRIS ...


ACS Chem Biol 10: 1072-81 (2015)

More data for this
Ligand-Target Pair
PHD finger protein 19 (PHF19)


(Homo sapiens (Human))
BDBM154548
PNG
(3-Bromo-N-(3-(tert-butyl(methyl)amino)propyl)benza...)
Show SMILES CN(CCCNC(=O)c1cccc(Br)c1)C(C)(C)C
Show InChI InChI=1S/C15H23BrN2O/c1-15(2,3)18(4)10-6-9-17-14(19)12-7-5-8-13(16)11-12/h5,7-8,11H,6,9-10H2,1-4H3,(H,17,19)
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n/an/a>5.00E+5n/an/an/an/a8.01,663.9



University of North Carolina at Chapel Hill



Assay Description
In brief, compound plates (1 μL at 10 mM highest concentration; 3-fold, 10-point dilutions in DMSO) were diluted in 1X assay buffer (20 mM TRIS ...


ACS Chem Biol 10: 1072-81 (2015)

More data for this
Ligand-Target Pair
PHD finger protein 23 (PHF23)


(Homo sapiens (Human))
BDBM154545
PNG
(3-Bromo-N-(3-(tert-butylamino)propyl)benzamide (UN...)
Show SMILES CC(C)(C)NCCCNC(=O)c1cccc(Br)c1
Show InChI InChI=1S/C14H21BrN2O/c1-14(2,3)17-9-5-8-16-13(18)11-6-4-7-12(15)10-11/h4,6-7,10,17H,5,8-9H2,1-3H3,(H,16,18)
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n/an/a>5.00E+5n/an/an/an/a8.01,663.9



University of North Carolina at Chapel Hill



Assay Description
In brief, compound plates (1 μL at 10 mM highest concentration; 3-fold, 10-point dilutions in DMSO) were diluted in 1X assay buffer (20 mM TRIS ...


ACS Chem Biol 10: 1072-81 (2015)

More data for this
Ligand-Target Pair
PHD finger protein 23 (PHF23)


(Homo sapiens (Human))
BDBM154546
PNG
(3-Bromo-N-(3-(dimethylamino)propyl)benzamide (2))
Show SMILES CN(C)CCCNC(=O)c1cccc(Br)c1
Show InChI InChI=1S/C12H17BrN2O/c1-15(2)8-4-7-14-12(16)10-5-3-6-11(13)9-10/h3,5-6,9H,4,7-8H2,1-2H3,(H,14,16)
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n/an/a>1.00E+5n/an/an/an/a8.01,663.9



University of North Carolina at Chapel Hill



Assay Description
In brief, compound plates (1 μL at 10 mM highest concentration; 3-fold, 10-point dilutions in DMSO) were diluted in 1X assay buffer (20 mM TRIS ...


ACS Chem Biol 10: 1072-81 (2015)

More data for this
Ligand-Target Pair
PHD finger protein 23 (PHF23)


(Homo sapiens (Human))
BDBM154547
PNG
(3-Bromo-N-(3-(isopropylamino)propyl)benzamide (3))
Show SMILES CC(C)NCCCNC(=O)c1cccc(Br)c1
Show InChI InChI=1S/C13H19BrN2O/c1-10(2)15-7-4-8-16-13(17)11-5-3-6-12(14)9-11/h3,5-6,9-10,15H,4,7-8H2,1-2H3,(H,16,17)
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n/an/a>1.00E+5n/an/an/an/a8.01,663.9



University of North Carolina at Chapel Hill



Assay Description
In brief, compound plates (1 μL at 10 mM highest concentration; 3-fold, 10-point dilutions in DMSO) were diluted in 1X assay buffer (20 mM TRIS ...


ACS Chem Biol 10: 1072-81 (2015)

More data for this
Ligand-Target Pair
PHD finger protein 23 (PHF23)


(Homo sapiens (Human))
BDBM154548
PNG
(3-Bromo-N-(3-(tert-butyl(methyl)amino)propyl)benza...)
Show SMILES CN(CCCNC(=O)c1cccc(Br)c1)C(C)(C)C
Show InChI InChI=1S/C15H23BrN2O/c1-15(2,3)18(4)10-6-9-17-14(19)12-7-5-8-13(16)11-12/h5,7-8,11H,6,9-10H2,1-4H3,(H,17,19)
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n/an/a>5.00E+5n/an/an/an/a8.01,663.9



University of North Carolina at Chapel Hill



Assay Description
In brief, compound plates (1 μL at 10 mM highest concentration; 3-fold, 10-point dilutions in DMSO) were diluted in 1X assay buffer (20 mM TRIS ...


ACS Chem Biol 10: 1072-81 (2015)

More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase (UHRF1)


(Homo sapiens (Human))
BDBM154545
PNG
(3-Bromo-N-(3-(tert-butylamino)propyl)benzamide (UN...)
Show SMILES CC(C)(C)NCCCNC(=O)c1cccc(Br)c1
Show InChI InChI=1S/C14H21BrN2O/c1-14(2,3)17-9-5-8-16-13(18)11-6-4-7-12(15)10-11/h4,6-7,10,17H,5,8-9H2,1-3H3,(H,16,18)
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n/an/a>5.00E+5n/an/an/an/a8.01,663.9



University of North Carolina at Chapel Hill



Assay Description
In brief, compound plates (1 μL at 10 mM highest concentration; 3-fold, 10-point dilutions in DMSO) were diluted in 1X assay buffer (20 mM TRIS ...


ACS Chem Biol 10: 1072-81 (2015)

More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase (UHRF1)


(Homo sapiens (Human))
BDBM154546
PNG
(3-Bromo-N-(3-(dimethylamino)propyl)benzamide (2))
Show SMILES CN(C)CCCNC(=O)c1cccc(Br)c1
Show InChI InChI=1S/C12H17BrN2O/c1-15(2)8-4-7-14-12(16)10-5-3-6-11(13)9-10/h3,5-6,9H,4,7-8H2,1-2H3,(H,14,16)
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n/an/a>1.00E+5n/an/an/an/a8.01,663.9



University of North Carolina at Chapel Hill



Assay Description
In brief, compound plates (1 μL at 10 mM highest concentration; 3-fold, 10-point dilutions in DMSO) were diluted in 1X assay buffer (20 mM TRIS ...


ACS Chem Biol 10: 1072-81 (2015)

More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase (UHRF1)


(Homo sapiens (Human))
BDBM154547
PNG
(3-Bromo-N-(3-(isopropylamino)propyl)benzamide (3))
Show SMILES CC(C)NCCCNC(=O)c1cccc(Br)c1
Show InChI InChI=1S/C13H19BrN2O/c1-10(2)15-7-4-8-16-13(17)11-5-3-6-12(14)9-11/h3,5-6,9-10,15H,4,7-8H2,1-2H3,(H,16,17)
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n/an/a>1.00E+5n/an/an/an/a8.01,663.9



University of North Carolina at Chapel Hill



Assay Description
In brief, compound plates (1 μL at 10 mM highest concentration; 3-fold, 10-point dilutions in DMSO) were diluted in 1X assay buffer (20 mM TRIS ...


ACS Chem Biol 10: 1072-81 (2015)

More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase (UHRF1)


(Homo sapiens (Human))
BDBM154548
PNG
(3-Bromo-N-(3-(tert-butyl(methyl)amino)propyl)benza...)
Show SMILES CN(CCCNC(=O)c1cccc(Br)c1)C(C)(C)C
Show InChI InChI=1S/C15H23BrN2O/c1-15(2,3)18(4)10-6-9-17-14(19)12-7-5-8-13(16)11-12/h5,7-8,11H,6,9-10H2,1-4H3,(H,17,19)
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n/an/a>5.00E+5n/an/an/an/a8.01,663.9



University of North Carolina at Chapel Hill



Assay Description
In brief, compound plates (1 μL at 10 mM highest concentration; 3-fold, 10-point dilutions in DMSO) were diluted in 1X assay buffer (20 mM TRIS ...


ACS Chem Biol 10: 1072-81 (2015)

More data for this
Ligand-Target Pair
Lethal(3)malignant brain tumor-like protein 1 (L3MBTL1)


(Homo sapiens (Human))
BDBM154545
PNG
(3-Bromo-N-(3-(tert-butylamino)propyl)benzamide (UN...)
Show SMILES CC(C)(C)NCCCNC(=O)c1cccc(Br)c1
Show InChI InChI=1S/C14H21BrN2O/c1-14(2,3)17-9-5-8-16-13(18)11-6-4-7-12(15)10-11/h4,6-7,10,17H,5,8-9H2,1-3H3,(H,16,18)
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n/an/a>5.00E+5n/an/an/an/a8.01,663.9



University of North Carolina at Chapel Hill



Assay Description
In brief, compound plates (1 μL at 10 mM highest concentration; 3-fold, 10-point dilutions in DMSO) were diluted in 1X assay buffer (20 mM TRIS ...


ACS Chem Biol 10: 1072-81 (2015)

More data for this
Ligand-Target Pair
Lethal(3)malignant brain tumor-like protein 1 (L3MBTL1)


(Homo sapiens (Human))
BDBM154546
PNG
(3-Bromo-N-(3-(dimethylamino)propyl)benzamide (2))
Show SMILES CN(C)CCCNC(=O)c1cccc(Br)c1
Show InChI InChI=1S/C12H17BrN2O/c1-15(2)8-4-7-14-12(16)10-5-3-6-11(13)9-10/h3,5-6,9H,4,7-8H2,1-2H3,(H,14,16)
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n/an/a>1.00E+5n/an/an/an/a8.01,663.9



University of North Carolina at Chapel Hill



Assay Description
In brief, compound plates (1 μL at 10 mM highest concentration; 3-fold, 10-point dilutions in DMSO) were diluted in 1X assay buffer (20 mM TRIS ...


ACS Chem Biol 10: 1072-81 (2015)

More data for this
Ligand-Target Pair
Lethal(3)malignant brain tumor-like protein 1 (L3MBTL1)


(Homo sapiens (Human))
BDBM154547
PNG
(3-Bromo-N-(3-(isopropylamino)propyl)benzamide (3))
Show SMILES CC(C)NCCCNC(=O)c1cccc(Br)c1
Show InChI InChI=1S/C13H19BrN2O/c1-10(2)15-7-4-8-16-13(17)11-5-3-6-12(14)9-11/h3,5-6,9-10,15H,4,7-8H2,1-2H3,(H,16,17)
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n/an/a>1.00E+5n/an/an/an/a8.01,663.9



University of North Carolina at Chapel Hill



Assay Description
In brief, compound plates (1 μL at 10 mM highest concentration; 3-fold, 10-point dilutions in DMSO) were diluted in 1X assay buffer (20 mM TRIS ...


ACS Chem Biol 10: 1072-81 (2015)

More data for this
Ligand-Target Pair
Lethal(3)malignant brain tumor-like protein 1 (L3MBTL1)


(Homo sapiens (Human))
BDBM154548
PNG
(3-Bromo-N-(3-(tert-butyl(methyl)amino)propyl)benza...)
Show SMILES CN(CCCNC(=O)c1cccc(Br)c1)C(C)(C)C
Show InChI InChI=1S/C15H23BrN2O/c1-15(2,3)18(4)10-6-9-17-14(19)12-7-5-8-13(16)11-12/h5,7-8,11H,6,9-10H2,1-4H3,(H,17,19)
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n/an/a>5.00E+5n/an/an/an/a8.01,663.9



University of North Carolina at Chapel Hill



Assay Description
In brief, compound plates (1 μL at 10 mM highest concentration; 3-fold, 10-point dilutions in DMSO) were diluted in 1X assay buffer (20 mM TRIS ...


ACS Chem Biol 10: 1072-81 (2015)

More data for this
Ligand-Target Pair
MBT domain-containing protein 1 (MBTD1)


(Homo sapiens (Human))
BDBM154545
PNG
(3-Bromo-N-(3-(tert-butylamino)propyl)benzamide (UN...)
Show SMILES CC(C)(C)NCCCNC(=O)c1cccc(Br)c1
Show InChI InChI=1S/C14H21BrN2O/c1-14(2,3)17-9-5-8-16-13(18)11-6-4-7-12(15)10-11/h4,6-7,10,17H,5,8-9H2,1-3H3,(H,16,18)
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n/an/a>5.00E+5n/an/an/an/a8.01,663.9



University of North Carolina at Chapel Hill



Assay Description
In brief, compound plates (1 μL at 10 mM highest concentration; 3-fold, 10-point dilutions in DMSO) were diluted in 1X assay buffer (20 mM TRIS ...


ACS Chem Biol 10: 1072-81 (2015)

More data for this
Ligand-Target Pair
MBT domain-containing protein 1 (MBTD1)


(Homo sapiens (Human))
BDBM154546
PNG
(3-Bromo-N-(3-(dimethylamino)propyl)benzamide (2))
Show SMILES CN(C)CCCNC(=O)c1cccc(Br)c1
Show InChI InChI=1S/C12H17BrN2O/c1-15(2)8-4-7-14-12(16)10-5-3-6-11(13)9-10/h3,5-6,9H,4,7-8H2,1-2H3,(H,14,16)
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n/an/a>1.00E+5n/an/an/an/a8.01,663.9



University of North Carolina at Chapel Hill



Assay Description
In brief, compound plates (1 μL at 10 mM highest concentration; 3-fold, 10-point dilutions in DMSO) were diluted in 1X assay buffer (20 mM TRIS ...


ACS Chem Biol 10: 1072-81 (2015)

More data for this
Ligand-Target Pair
MBT domain-containing protein 1 (MBTD1)


(Homo sapiens (Human))
BDBM154547
PNG
(3-Bromo-N-(3-(isopropylamino)propyl)benzamide (3))
Show SMILES CC(C)NCCCNC(=O)c1cccc(Br)c1
Show InChI InChI=1S/C13H19BrN2O/c1-10(2)15-7-4-8-16-13(17)11-5-3-6-12(14)9-11/h3,5-6,9-10,15H,4,7-8H2,1-2H3,(H,16,17)
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n/an/a>1.00E+5n/an/an/an/a8.01,663.9



University of North Carolina at Chapel Hill



Assay Description
In brief, compound plates (1 μL at 10 mM highest concentration; 3-fold, 10-point dilutions in DMSO) were diluted in 1X assay buffer (20 mM TRIS ...


ACS Chem Biol 10: 1072-81 (2015)

More data for this
Ligand-Target Pair
MBT domain-containing protein 1 (MBTD1)


(Homo sapiens (Human))
BDBM154548
PNG
(3-Bromo-N-(3-(tert-butyl(methyl)amino)propyl)benza...)
Show SMILES CN(CCCNC(=O)c1cccc(Br)c1)C(C)(C)C
Show InChI InChI=1S/C15H23BrN2O/c1-15(2,3)18(4)10-6-9-17-14(19)12-7-5-8-13(16)11-12/h5,7-8,11H,6,9-10H2,1-4H3,(H,17,19)
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n/an/a>5.00E+5n/an/an/an/a8.01,663.9



University of North Carolina at Chapel Hill



Assay Description
In brief, compound plates (1 μL at 10 mM highest concentration; 3-fold, 10-point dilutions in DMSO) were diluted in 1X assay buffer (20 mM TRIS ...


ACS Chem Biol 10: 1072-81 (2015)

More data for this
Ligand-Target Pair
Methyl-lysine binding protein (53BP1)


(Homo sapiens)
BDBM154545
PNG
(3-Bromo-N-(3-(tert-butylamino)propyl)benzamide (UN...)
Show SMILES CC(C)(C)NCCCNC(=O)c1cccc(Br)c1
Show InChI InChI=1S/C14H21BrN2O/c1-14(2,3)17-9-5-8-16-13(18)11-6-4-7-12(15)10-11/h4,6-7,10,17H,5,8-9H2,1-3H3,(H,16,18)
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n/an/an/a 2.20E+4n/an/an/a8.0298.15



University of North Carolina at Chapel Hill



Assay Description
All ITC measurements were recorded at 25 C with an AutoITC200 microcalorimeter (MicroCal Inc.). All protein and compound stock samples were in the t...


ACS Chem Biol 10: 1072-81 (2015)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Lethal(3)malignant brain tumor-like protein 3 (L3MBTL3)


(Homo sapiens (Human))
BDBM50440618
PNG
(CHEMBL2426369)
Show SMILES Brc1cccc(c1)C(=O)N1CCC(CC1)N1CCCC1
Show InChI InChI=1S/C16H21BrN2O/c17-14-5-3-4-13(12-14)16(20)19-10-6-15(7-11-19)18-8-1-2-9-18/h3-5,12,15H,1-2,6-11H2
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n/an/a 4.10E+3n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of L3MBTL3 (unknown origin) after 30 mins by AlphaScreen assay


J Med Chem 56: 7358-71 (2013)

More data for this
Ligand-Target Pair
Methyl-lysine binding protein (53BP1)


(Homo sapiens)
BDBM154545
PNG
(3-Bromo-N-(3-(tert-butylamino)propyl)benzamide (UN...)
Show SMILES CC(C)(C)NCCCNC(=O)c1cccc(Br)c1
Show InChI InChI=1S/C14H21BrN2O/c1-14(2,3)17-9-5-8-16-13(18)11-6-4-7-12(15)10-11/h4,6-7,10,17H,5,8-9H2,1-3H3,(H,16,18)
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n/an/a 2.90E+4n/an/an/an/a8.01,663.9



University of North Carolina at Chapel Hill



Assay Description
In brief, compound plates (1 μL at 10 mM highest concentration; 3-fold, 10-point dilutions in DMSO) were diluted in 1X assay buffer (20 mM TRIS ...


ACS Chem Biol 10: 1072-81 (2015)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)