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Compile Data Set for Download or QSAR

Found 245 hits with Last Name = 'mcbride' and Initial = 'km'   
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
TP53-binding protein 1


(Homo sapiens (Human))
BDBM154563
PNG
(N-(3-(Tert-butylamino)propyl)-3-iodobenzamide (19))
Show SMILES CC(C)(C)NCCCNC(=O)c1cccc(I)c1
Show InChI InChI=1S/C14H21IN2O/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 1.30E+4n/an/an/an/a8.01,117.6



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)


Article DOI: 10.1021/cb500956g
BindingDB Entry DOI: 10.7270/Q27S7MHJ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
TP53-binding protein 1


(Homo sapiens (Human))
BDBM154564
PNG
(N-(3-(Tert-butylamino)propyl)-3-isopropylbenzamide...)
Show SMILES CC(C)c1cccc(c1)C(=O)NCCCNC(C)(C)C
Show InChI InChI=1S/C17H28N2O/c1-13(2)14-8-6-9-15(12-14)16(20)18-10-7-11-19-17(3,4)5/h6,8-9,12-13,19H,7,10-11H2,1-5H3,(H,18,20)
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n/an/a 1.40E+4n/an/an/an/a8.01,117.6



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)


Article DOI: 10.1021/cb500956g
BindingDB Entry DOI: 10.7270/Q27S7MHJ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
TP53-binding protein 1


(Homo sapiens (Human))
BDBM154565
PNG
(N-(3-(Tert-butylamino)propyl)-3-(trifluoromethyl)b...)
Show SMILES CC(C)(C)NCCCNC(=O)c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C15H21F3N2O/c1-14(2,3)20-9-5-8-19-13(21)11-6-4-7-12(10-11)15(16,17)18/h4,6-7,10,20H,5,8-9H2,1-3H3,(H,19,21)
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n/an/a 2.20E+4n/an/an/an/a8.01,117.6



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)


Article DOI: 10.1021/cb500956g
BindingDB Entry DOI: 10.7270/Q27S7MHJ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
TP53-binding protein 1


(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 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)


Article DOI: 10.1021/cb500956g
BindingDB Entry DOI: 10.7270/Q27S7MHJ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
PHD finger protein 19


(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)


Article DOI: 10.1021/cb500956g
BindingDB Entry DOI: 10.7270/Q27S7MHJ
More data for this
Ligand-Target Pair
MBT domain-containing protein 1


(Homo sapiens (Human))
BDBM154550
PNG
(3-Bromo-N-(3-(pyrrolidin-1-yl)propyl)benzamide (6))
Show SMILES Brc1cccc(c1)C(=O)NCCCN1CCCC1
Show InChI InChI=1S/C14H19BrN2O/c15-13-6-3-5-12(11-13)14(18)16-7-4-10-17-8-1-2-9-17/h3,5-6,11H,1-2,4,7-10H2,(H,16,18)
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n/an/a 7.80E+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)


Article DOI: 10.1021/cb500956g
BindingDB Entry DOI: 10.7270/Q27S7MHJ
More data for this
Ligand-Target Pair
PHD finger protein 1


(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)


Article DOI: 10.1021/cb500956g
BindingDB Entry DOI: 10.7270/Q27S7MHJ
More data for this
Ligand-Target Pair
TP53-binding protein 1


(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)


Article DOI: 10.1021/cb500956g
BindingDB Entry DOI: 10.7270/Q27S7MHJ
More data for this
Ligand-Target Pair
TP53-binding protein 1


(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)


Article DOI: 10.1021/cb500956g
BindingDB Entry DOI: 10.7270/Q27S7MHJ
More data for this
Ligand-Target Pair
TP53-binding protein 1


(Homo sapiens (Human))
BDBM154549
PNG
(3-Bromo-N-(3-(tert-butoxy)propyl)benzamide (5))
Show SMILES CC(C)(C)OCCCNC(=O)c1cccc(Br)c1
Show InChI InChI=1S/C14H20BrNO2/c1-14(2,3)18-9-5-8-16-13(17)11-6-4-7-12(15)10-11/h4,6-7,10H,5,8-9H2,1-3H3,(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)


Article DOI: 10.1021/cb500956g
BindingDB Entry DOI: 10.7270/Q27S7MHJ
More data for this
Ligand-Target Pair
TP53-binding protein 1


(Homo sapiens (Human))
BDBM154550
PNG
(3-Bromo-N-(3-(pyrrolidin-1-yl)propyl)benzamide (6))
Show SMILES Brc1cccc(c1)C(=O)NCCCN1CCCC1
Show InChI InChI=1S/C14H19BrN2O/c15-13-6-3-5-12(11-13)14(18)16-7-4-10-17-8-1-2-9-17/h3,5-6,11H,1-2,4,7-10H2,(H,16,18)
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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)


Article DOI: 10.1021/cb500956g
BindingDB Entry DOI: 10.7270/Q27S7MHJ
More data for this
Ligand-Target Pair
Chromobox protein homolog 7


(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)


Article DOI: 10.1021/cb500956g
BindingDB Entry DOI: 10.7270/Q27S7MHJ
More data for this
Ligand-Target Pair
Chromobox protein homolog 7


(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)


Article DOI: 10.1021/cb500956g
BindingDB Entry DOI: 10.7270/Q27S7MHJ
More data for this
Ligand-Target Pair
Chromobox protein homolog 7


(Homo sapiens (Human))
BDBM154549
PNG
(3-Bromo-N-(3-(tert-butoxy)propyl)benzamide (5))
Show SMILES CC(C)(C)OCCCNC(=O)c1cccc(Br)c1
Show InChI InChI=1S/C14H20BrNO2/c1-14(2,3)18-9-5-8-16-13(17)11-6-4-7-12(15)10-11/h4,6-7,10H,5,8-9H2,1-3H3,(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)


Article DOI: 10.1021/cb500956g
BindingDB Entry DOI: 10.7270/Q27S7MHJ
More data for this
Ligand-Target Pair
Chromobox protein homolog 7


(Homo sapiens (Human))
BDBM154550
PNG
(3-Bromo-N-(3-(pyrrolidin-1-yl)propyl)benzamide (6))
Show SMILES Brc1cccc(c1)C(=O)NCCCN1CCCC1
Show InChI InChI=1S/C14H19BrN2O/c15-13-6-3-5-12(11-13)14(18)16-7-4-10-17-8-1-2-9-17/h3,5-6,11H,1-2,4,7-10H2,(H,16,18)
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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)


Article DOI: 10.1021/cb500956g
BindingDB Entry DOI: 10.7270/Q27S7MHJ
More data for this
Ligand-Target Pair
Lysine-specific demethylase 5A


(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)


Article DOI: 10.1021/cb500956g
BindingDB Entry DOI: 10.7270/Q27S7MHJ
More data for this
Ligand-Target Pair
Lysine-specific demethylase 5A


(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)


Article DOI: 10.1021/cb500956g
BindingDB Entry DOI: 10.7270/Q27S7MHJ
More data for this
Ligand-Target Pair
Lysine-specific demethylase 5A


(Homo sapiens (Human))
BDBM154549
PNG
(3-Bromo-N-(3-(tert-butoxy)propyl)benzamide (5))
Show SMILES CC(C)(C)OCCCNC(=O)c1cccc(Br)c1
Show InChI InChI=1S/C14H20BrNO2/c1-14(2,3)18-9-5-8-16-13(17)11-6-4-7-12(15)10-11/h4,6-7,10H,5,8-9H2,1-3H3,(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)


Article DOI: 10.1021/cb500956g
BindingDB Entry DOI: 10.7270/Q27S7MHJ
More data for this
Ligand-Target Pair
Lysine-specific demethylase 5A


(Homo sapiens (Human))
BDBM154550
PNG
(3-Bromo-N-(3-(pyrrolidin-1-yl)propyl)benzamide (6))
Show SMILES Brc1cccc(c1)C(=O)NCCCN1CCCC1
Show InChI InChI=1S/C14H19BrN2O/c15-13-6-3-5-12(11-13)14(18)16-7-4-10-17-8-1-2-9-17/h3,5-6,11H,1-2,4,7-10H2,(H,16,18)
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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)


Article DOI: 10.1021/cb500956g
BindingDB Entry DOI: 10.7270/Q27S7MHJ
More data for this
Ligand-Target Pair
PHD finger protein 1


(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)


Article DOI: 10.1021/cb500956g
BindingDB Entry DOI: 10.7270/Q27S7MHJ
More data for this
Ligand-Target Pair
PHD finger protein 1


(Homo sapiens (Human))
BDBM154549
PNG
(3-Bromo-N-(3-(tert-butoxy)propyl)benzamide (5))
Show SMILES CC(C)(C)OCCCNC(=O)c1cccc(Br)c1
Show InChI InChI=1S/C14H20BrNO2/c1-14(2,3)18-9-5-8-16-13(17)11-6-4-7-12(15)10-11/h4,6-7,10H,5,8-9H2,1-3H3,(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)


Article DOI: 10.1021/cb500956g
BindingDB Entry DOI: 10.7270/Q27S7MHJ
More data for this
Ligand-Target Pair
PHD finger protein 1


(Homo sapiens (Human))
BDBM154550
PNG
(3-Bromo-N-(3-(pyrrolidin-1-yl)propyl)benzamide (6))
Show SMILES Brc1cccc(c1)C(=O)NCCCN1CCCC1
Show InChI InChI=1S/C14H19BrN2O/c15-13-6-3-5-12(11-13)14(18)16-7-4-10-17-8-1-2-9-17/h3,5-6,11H,1-2,4,7-10H2,(H,16,18)
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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)


Article DOI: 10.1021/cb500956g
BindingDB Entry DOI: 10.7270/Q27S7MHJ
More data for this
Ligand-Target Pair
PHD finger protein 19


(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)


Article DOI: 10.1021/cb500956g
BindingDB Entry DOI: 10.7270/Q27S7MHJ
More data for this
Ligand-Target Pair
PHD finger protein 19


(Homo sapiens (Human))
BDBM154549
PNG
(3-Bromo-N-(3-(tert-butoxy)propyl)benzamide (5))
Show SMILES CC(C)(C)OCCCNC(=O)c1cccc(Br)c1
Show InChI InChI=1S/C14H20BrNO2/c1-14(2,3)18-9-5-8-16-13(17)11-6-4-7-12(15)10-11/h4,6-7,10H,5,8-9H2,1-3H3,(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)


Article DOI: 10.1021/cb500956g
BindingDB Entry DOI: 10.7270/Q27S7MHJ
More data for this
Ligand-Target Pair
PHD finger protein 19


(Homo sapiens (Human))
BDBM154550
PNG
(3-Bromo-N-(3-(pyrrolidin-1-yl)propyl)benzamide (6))
Show SMILES Brc1cccc(c1)C(=O)NCCCN1CCCC1
Show InChI InChI=1S/C14H19BrN2O/c15-13-6-3-5-12(11-13)14(18)16-7-4-10-17-8-1-2-9-17/h3,5-6,11H,1-2,4,7-10H2,(H,16,18)
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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)


Article DOI: 10.1021/cb500956g
BindingDB Entry DOI: 10.7270/Q27S7MHJ
More data for this
Ligand-Target Pair
PHD finger protein 23


(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)


Article DOI: 10.1021/cb500956g
BindingDB Entry DOI: 10.7270/Q27S7MHJ
More data for this
Ligand-Target Pair
PHD finger protein 23


(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)


Article DOI: 10.1021/cb500956g
BindingDB Entry DOI: 10.7270/Q27S7MHJ
More data for this
Ligand-Target Pair
PHD finger protein 23


(Homo sapiens (Human))
BDBM154549
PNG
(3-Bromo-N-(3-(tert-butoxy)propyl)benzamide (5))
Show SMILES CC(C)(C)OCCCNC(=O)c1cccc(Br)c1
Show InChI InChI=1S/C14H20BrNO2/c1-14(2,3)18-9-5-8-16-13(17)11-6-4-7-12(15)10-11/h4,6-7,10H,5,8-9H2,1-3H3,(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)


Article DOI: 10.1021/cb500956g
BindingDB Entry DOI: 10.7270/Q27S7MHJ
More data for this
Ligand-Target Pair
PHD finger protein 23


(Homo sapiens (Human))
BDBM154550
PNG
(3-Bromo-N-(3-(pyrrolidin-1-yl)propyl)benzamide (6))
Show SMILES Brc1cccc(c1)C(=O)NCCCN1CCCC1
Show InChI InChI=1S/C14H19BrN2O/c15-13-6-3-5-12(11-13)14(18)16-7-4-10-17-8-1-2-9-17/h3,5-6,11H,1-2,4,7-10H2,(H,16,18)
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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)


Article DOI: 10.1021/cb500956g
BindingDB Entry DOI: 10.7270/Q27S7MHJ
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)


Article DOI: 10.1021/cb500956g
BindingDB Entry DOI: 10.7270/Q27S7MHJ
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)


Article DOI: 10.1021/cb500956g
BindingDB Entry DOI: 10.7270/Q27S7MHJ
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase UHRF1


(Homo sapiens (Human))
BDBM154549
PNG
(3-Bromo-N-(3-(tert-butoxy)propyl)benzamide (5))
Show SMILES CC(C)(C)OCCCNC(=O)c1cccc(Br)c1
Show InChI InChI=1S/C14H20BrNO2/c1-14(2,3)18-9-5-8-16-13(17)11-6-4-7-12(15)10-11/h4,6-7,10H,5,8-9H2,1-3H3,(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)


Article DOI: 10.1021/cb500956g
BindingDB Entry DOI: 10.7270/Q27S7MHJ
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase UHRF1


(Homo sapiens (Human))
BDBM154550
PNG
(3-Bromo-N-(3-(pyrrolidin-1-yl)propyl)benzamide (6))
Show SMILES Brc1cccc(c1)C(=O)NCCCN1CCCC1
Show InChI InChI=1S/C14H19BrN2O/c15-13-6-3-5-12(11-13)14(18)16-7-4-10-17-8-1-2-9-17/h3,5-6,11H,1-2,4,7-10H2,(H,16,18)
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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)


Article DOI: 10.1021/cb500956g
BindingDB Entry DOI: 10.7270/Q27S7MHJ
More data for this
Ligand-Target Pair
Isoform 4 of Lethal(3)malignant brain tumor-like protein 1 (4)


(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)


Article DOI: 10.1021/cb500956g
BindingDB Entry DOI: 10.7270/Q27S7MHJ
More data for this
Ligand-Target Pair
Isoform 4 of Lethal(3)malignant brain tumor-like protein 1 (4)


(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)


Article DOI: 10.1021/cb500956g
BindingDB Entry DOI: 10.7270/Q27S7MHJ
More data for this
Ligand-Target Pair
Isoform 4 of Lethal(3)malignant brain tumor-like protein 1 (4)


(Homo sapiens (Human))
BDBM154549
PNG
(3-Bromo-N-(3-(tert-butoxy)propyl)benzamide (5))
Show SMILES CC(C)(C)OCCCNC(=O)c1cccc(Br)c1
Show InChI InChI=1S/C14H20BrNO2/c1-14(2,3)18-9-5-8-16-13(17)11-6-4-7-12(15)10-11/h4,6-7,10H,5,8-9H2,1-3H3,(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)


Article DOI: 10.1021/cb500956g
BindingDB Entry DOI: 10.7270/Q27S7MHJ
More data for this
Ligand-Target Pair
Isoform 4 of Lethal(3)malignant brain tumor-like protein 1 (4)


(Homo sapiens (Human))
BDBM154550
PNG
(3-Bromo-N-(3-(pyrrolidin-1-yl)propyl)benzamide (6))
Show SMILES Brc1cccc(c1)C(=O)NCCCN1CCCC1
Show InChI InChI=1S/C14H19BrN2O/c15-13-6-3-5-12(11-13)14(18)16-7-4-10-17-8-1-2-9-17/h3,5-6,11H,1-2,4,7-10H2,(H,16,18)
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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)


Article DOI: 10.1021/cb500956g
BindingDB Entry DOI: 10.7270/Q27S7MHJ
More data for this
Ligand-Target Pair
MBT domain-containing protein 1


(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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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)


Article DOI: 10.1021/cb500956g
BindingDB Entry DOI: 10.7270/Q27S7MHJ
More data for this
Ligand-Target Pair
MBT domain-containing protein 1


(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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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)


Article DOI: 10.1021/cb500956g
BindingDB Entry DOI: 10.7270/Q27S7MHJ
More data for this
Ligand-Target Pair
MBT domain-containing protein 1


(Homo sapiens (Human))
BDBM154549
PNG
(3-Bromo-N-(3-(tert-butoxy)propyl)benzamide (5))
Show SMILES CC(C)(C)OCCCNC(=O)c1cccc(Br)c1
Show InChI InChI=1S/C14H20BrNO2/c1-14(2,3)18-9-5-8-16-13(17)11-6-4-7-12(15)10-11/h4,6-7,10H,5,8-9H2,1-3H3,(H,16,17)
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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)


Article DOI: 10.1021/cb500956g
BindingDB Entry DOI: 10.7270/Q27S7MHJ
More data for this
Ligand-Target Pair
TP53-binding protein 1


(Homo sapiens (Human))
BDBM154551
PNG
(3-Bromo-N-(3-(tert-butylamino)propyl)benzenesulfon...)
Show SMILES CC(C)(C)NCCCNS(=O)(=O)c1cccc(Br)c1
Show InChI InChI=1S/C13H21BrN2O2S/c1-13(2,3)15-8-5-9-16-19(17,18)12-7-4-6-11(14)10-12/h4,6-7,10,15-16H,5,8-9H2,1-3H3
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n/an/a>1.00E+5n/an/an/an/a8.01,390.75



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)


Article DOI: 10.1021/cb500956g
BindingDB Entry DOI: 10.7270/Q27S7MHJ
More data for this
Ligand-Target Pair
TP53-binding protein 1


(Homo sapiens (Human))
BDBM154552
PNG
(N1-(3-Bromobenzyl)-N3-(tert-butyl)propane-1,3-diam...)
Show SMILES CC(C)(C)NCCCNCc1cccc(Br)c1
Show InChI InChI=1S/C14H23BrN2/c1-14(2,3)17-9-5-8-16-11-12-6-4-7-13(15)10-12/h4,6-7,10,16-17H,5,8-9,11H2,1-3H3
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n/an/a>1.00E+5n/an/an/an/a8.01,390.75



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)


Article DOI: 10.1021/cb500956g
BindingDB Entry DOI: 10.7270/Q27S7MHJ
More data for this
Ligand-Target Pair
TP53-binding protein 1


(Homo sapiens (Human))
BDBM154553
PNG
((3-Bromophenyl)(3-(tert-butyl)imidazolidin-1-yl)me...)
Show SMILES CC(C)(C)N1CCC(C1)NC(=O)c1cccc(Br)c1
Show InChI InChI=1S/C15H21BrN2O/c1-15(2,3)18-8-7-13(10-18)17-14(19)11-5-4-6-12(16)9-11/h4-6,9,13H,7-8,10H2,1-3H3,(H,17,19)
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n/an/a>1.00E+5n/an/an/an/a8.01,390.75



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)


Article DOI: 10.1021/cb500956g
BindingDB Entry DOI: 10.7270/Q27S7MHJ
More data for this
Ligand-Target Pair
TP53-binding protein 1


(Homo sapiens (Human))
BDBM154554
PNG
((3-Bromophenyl)(4-(tert-butyl)piperazin-1-yl)metha...)
Show SMILES CC(C)(C)N1CCN(CC1)C(=O)c1cccc(Br)c1
Show InChI InChI=1S/C15H21BrN2O/c1-15(2,3)18-9-7-17(8-10-18)14(19)12-5-4-6-13(16)11-12/h4-6,11H,7-10H2,1-3H3
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n/an/a>1.00E+5n/an/an/an/a8.01,390.75



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)


Article DOI: 10.1021/cb500956g
BindingDB Entry DOI: 10.7270/Q27S7MHJ
More data for this
Ligand-Target Pair
TP53-binding protein 1


(Homo sapiens (Human))
BDBM154555
PNG
(3-Bromo-N-(4-(tert-butylamino)butyl)benzamide (11))
Show SMILES CC(C)(C)NCCCCNC(=O)c1cccc(Br)c1
Show InChI InChI=1S/C15H23BrN2O/c1-15(2,3)18-10-5-4-9-17-14(19)12-7-6-8-13(16)11-12/h6-8,11,18H,4-5,9-10H2,1-3H3,(H,17,19)
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n/an/a>1.00E+5n/an/an/an/a8.01,390.75



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)


Article DOI: 10.1021/cb500956g
BindingDB Entry DOI: 10.7270/Q27S7MHJ
More data for this
Ligand-Target Pair
TP53-binding protein 1


(Homo sapiens (Human))
BDBM154556
PNG
(3-Bromo-N-(5-(tert-butylamino)pentyl)benzamide (12...)
Show SMILES CC(C)(C)NCCCCCNC(=O)c1cccc(Br)c1
Show InChI InChI=1S/C16H25BrN2O/c1-16(2,3)19-11-6-4-5-10-18-15(20)13-8-7-9-14(17)12-13/h7-9,12,19H,4-6,10-11H2,1-3H3,(H,18,20)
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n/an/a>1.00E+5n/an/an/an/a8.01,390.75



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)


Article DOI: 10.1021/cb500956g
BindingDB Entry DOI: 10.7270/Q27S7MHJ
More data for this
Ligand-Target Pair
TP53-binding protein 1


(Homo sapiens (Human))
BDBM154557
PNG
(3-Bromo-N-(2-(tert-butylamino)ethyl)benzamide (13))
Show SMILES CC(C)(C)NCCNC(=O)c1cccc(Br)c1
Show InChI InChI=1S/C13H19BrN2O/c1-13(2,3)16-8-7-15-12(17)10-5-4-6-11(14)9-10/h4-6,9,16H,7-8H2,1-3H3,(H,15,17)
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n/an/a>1.00E+5n/an/an/an/a8.01,390.75



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)


Article DOI: 10.1021/cb500956g
BindingDB Entry DOI: 10.7270/Q27S7MHJ
More data for this
Ligand-Target Pair
Chromobox protein homolog 7


(Homo sapiens (Human))
BDBM154551
PNG
(3-Bromo-N-(3-(tert-butylamino)propyl)benzenesulfon...)
Show SMILES CC(C)(C)NCCCNS(=O)(=O)c1cccc(Br)c1
Show InChI InChI=1S/C13H21BrN2O2S/c1-13(2,3)15-8-5-9-16-19(17,18)12-7-4-6-11(14)10-12/h4,6-7,10,15-16H,5,8-9H2,1-3H3
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n/an/a>1.00E+5n/an/an/an/a8.01,390.75



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)


Article DOI: 10.1021/cb500956g
BindingDB Entry DOI: 10.7270/Q27S7MHJ
More data for this
Ligand-Target Pair
Chromobox protein homolog 7


(Homo sapiens (Human))
BDBM154552
PNG
(N1-(3-Bromobenzyl)-N3-(tert-butyl)propane-1,3-diam...)
Show SMILES CC(C)(C)NCCCNCc1cccc(Br)c1
Show InChI InChI=1S/C14H23BrN2/c1-14(2,3)17-9-5-8-16-11-12-6-4-7-13(15)10-12/h4,6-7,10,16-17H,5,8-9,11H2,1-3H3
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n/an/a>1.00E+5n/an/an/an/a8.01,390.75



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)


Article DOI: 10.1021/cb500956g
BindingDB Entry DOI: 10.7270/Q27S7MHJ
More data for this
Ligand-Target Pair
Chromobox protein homolog 7


(Homo sapiens (Human))
BDBM154553
PNG
((3-Bromophenyl)(3-(tert-butyl)imidazolidin-1-yl)me...)
Show SMILES CC(C)(C)N1CCC(C1)NC(=O)c1cccc(Br)c1
Show InChI InChI=1S/C15H21BrN2O/c1-15(2,3)18-8-7-13(10-18)17-14(19)11-5-4-6-12(16)9-11/h4-6,9,13H,7-8,10H2,1-3H3,(H,17,19)
PDB

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n/an/a>1.00E+5n/an/an/an/a8.01,390.75



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)


Article DOI: 10.1021/cb500956g
BindingDB Entry DOI: 10.7270/Q27S7MHJ
More data for this
Ligand-Target Pair
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