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BDBM154545 3-Bromo-N-(3-(tert-butylamino)propyl)benzamide (UNC2170, 1)

SMILES: CC(C)(C)NCCCNC(=O)c1cccc(Br)c1

InChI Key: InChIKey=XUFUVCIZFNREBI-UHFFFAOYSA-N

Data: 9 IC50  1 Kd

PDB links: 1 PDB ID matches this monomer.

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 10 hits for monomerid = 154545   
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
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)
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
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
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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PubMed
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)
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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PubMed
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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PubMed
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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PubMed
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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PubMed
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)
PDB

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PC sid
PDB
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Article
PubMed
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