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Compile Data Set for Download or QSAR

Found 125 hits Enz. Inhib. hit(s) with Target = 'MBT domain-containing protein 1 (MBTD1)'   
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
MBT domain-containing 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>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)


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))
BDBM154569
PNG
(N-(3-(Tert-butylamino)propyl)-4-(trifluoromethyl)p...)
Show SMILES CC(C)(C)NCCCNC(=O)c1cc(ccn1)C(F)(F)F
Show InChI InChI=1S/C14H20F3N3O/c1-13(2,3)20-7-4-6-19-12(21)11-9-10(5-8-18-11)14(15,16)17/h5,8-9,20H,4,6-7H2,1-3H3,(H,19,21)
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n/an/a>1.00E+5n/an/an/an/a8.0571.3



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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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))
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)


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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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))
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
MBT domain-containing 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
MBT domain-containing 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
MBT domain-containing 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
MBT domain-containing 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
MBT domain-containing 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
MBT domain-containing 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
MBT domain-containing 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
MBT domain-containing protein 1


(Homo sapiens (Human))
BDBM154558
PNG
(N-(3-(Tert-butylamino)propyl)benzamide (14))
Show SMILES CC(C)(C)NCCCNC(=O)c1ccccc1
Show InChI InChI=1S/C14H22N2O/c1-14(2,3)16-11-7-10-15-13(17)12-8-5-4-6-9-12/h4-6,8-9,16H,7,10-11H2,1-3H3,(H,15,17)
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n/an/a>1.00E+5n/an/an/an/a8.0571.3



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))
BDBM154559
PNG
(4-Bromo-N-(3-(tert-butylamino)propyl)benzamide (15...)
Show SMILES CC(C)(C)NCCCNC(=O)c1ccc(Br)cc1
Show InChI InChI=1S/C14H21BrN2O/c1-14(2,3)17-10-4-9-16-13(18)11-5-7-12(15)8-6-11/h5-8,17H,4,9-10H2,1-3H3,(H,16,18)
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n/an/a>1.00E+5n/an/an/an/a8.0571.3



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))
BDBM154560
PNG
(2-Bromo-N-(3-(tert-butylamino)propyl)benzamide (16...)
Show SMILES CC(C)(C)NCCCNC(=O)c1ccccc1Br
Show InChI InChI=1S/C14H21BrN2O/c1-14(2,3)17-10-6-9-16-13(18)11-7-4-5-8-12(11)15/h4-5,7-8,17H,6,9-10H2,1-3H3,(H,16,18)
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n/an/a>1.00E+5n/an/an/an/a8.0571.3



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))
BDBM154561
PNG
(N-(3-(Tert-butylamino)propyl)-3-chlorobenzamide (1...)
Show SMILES CC(C)(C)NCCCNC(=O)c1cccc(Cl)c1
Show InChI InChI=1S/C14H21ClN2O/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>1.00E+5n/an/an/an/a8.0571.3



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))
BDBM154562
PNG
(N-(3-(Tert-butylamino)propyl)-3-fluorobenzamide (1...)
Show SMILES CC(C)(C)NCCCNC(=O)c1cccc(F)c1
Show InChI InChI=1S/C14H21FN2O/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>1.00E+5n/an/an/an/a8.0571.3



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))
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>1.00E+5n/an/an/an/a8.0571.3



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))
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>1.00E+5n/an/an/an/a8.0571.3



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))
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>1.00E+5n/an/an/an/a8.0571.3



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))
BDBM154566
PNG
(N-(3-(Tert-butylamino)propyl)-4-(trifluoromethyl)b...)
Show SMILES CC(C)(C)NCCCNC(=O)c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C15H21F3N2O/c1-14(2,3)20-10-4-9-19-13(21)11-5-7-12(8-6-11)15(16,17)18/h5-8,20H,4,9-10H2,1-3H3,(H,19,21)
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n/an/a>1.00E+5n/an/an/an/a8.0571.3



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))
BDBM154567
PNG
(N-(3-(Tert-butylamino)propyl)-3-nitrobenzamide (23...)
Show SMILES CC(C)(C)NCCCNC(=O)c1cccc(c1)[N+]([O-])=O
Show InChI InChI=1S/C14H21N3O3/c1-14(2,3)16-9-5-8-15-13(18)11-6-4-7-12(10-11)17(19)20/h4,6-7,10,16H,5,8-9H2,1-3H3,(H,15,18)
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n/an/a>1.00E+5n/an/an/an/a8.0571.3



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))
BDBM154568
PNG
(4-Bromo-N-(3-(tert-butylamino)propyl)picolinamide ...)
Show SMILES CC(C)(C)NCCCNC(=O)c1cc(Br)ccn1
Show InChI InChI=1S/C13H20BrN3O/c1-13(2,3)17-7-4-6-16-12(18)11-9-10(14)5-8-15-11/h5,8-9,17H,4,6-7H2,1-3H3,(H,16,18)
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n/an/a>1.00E+5n/an/an/an/a8.0571.3



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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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))
BDBM50440560
PNG
(CHEMBL2426363)
Show SMILES O=C(N1CCC(CC1)N1CCCC1)c1ccc(s1)C(=O)N1CCC(CC1)N1CCCC1
Show InChI InChI=1S/C24H36N4O2S/c29-23(27-15-7-19(8-16-27)25-11-1-2-12-25)21-5-6-22(31-21)24(30)28-17-9-20(10-18-28)26-13-3-4-14-26/h5-6,19-20H,1-4,7-18H2
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University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of MBTD1 (unknown origin) after 30 mins by AlphaScreen assay


J Med Chem 56: 7358-71 (2013)


Article DOI: 10.1021/jm400919p
BindingDB Entry DOI: 10.7270/Q2B27WRP
More data for this
Ligand-Target Pair
MBT domain-containing protein 1


(Homo sapiens (Human))
BDBM50440561
PNG
(CHEMBL2426362)
Show SMILES O=C(N1CCC(CC1)N1CCCC1)c1ccc(o1)C(=O)N1CCC(CC1)N1CCCC1
Show InChI InChI=1S/C24H36N4O3/c29-23(27-15-7-19(8-16-27)25-11-1-2-12-25)21-5-6-22(31-21)24(30)28-17-9-20(10-18-28)26-13-3-4-14-26/h5-6,19-20H,1-4,7-18H2
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of MBTD1 (unknown origin) after 30 mins by AlphaScreen assay


J Med Chem 56: 7358-71 (2013)


Article DOI: 10.1021/jm400919p
BindingDB Entry DOI: 10.7270/Q2B27WRP
More data for this
Ligand-Target Pair
MBT domain-containing protein 1


(Homo sapiens (Human))
BDBM50440562
PNG
(CHEMBL2426361)
Show SMILES O=C(N1CCC(CC1)N1CCCC1)c1ccc2cc(ccc2c1)C(=O)N1CCC(CC1)N1CCCC1
Show InChI InChI=1S/C30H40N4O2/c35-29(33-17-9-27(10-18-33)31-13-1-2-14-31)25-7-5-24-22-26(8-6-23(24)21-25)30(36)34-19-11-28(12-20-34)32-15-3-4-16-32/h5-8,21-22,27-28H,1-4,9-20H2
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of MBTD1 (unknown origin) after 30 mins by AlphaScreen assay


J Med Chem 56: 7358-71 (2013)


Article DOI: 10.1021/jm400919p
BindingDB Entry DOI: 10.7270/Q2B27WRP
More data for this
Ligand-Target Pair
MBT domain-containing protein 1


(Homo sapiens (Human))
BDBM50440563
PNG
(CHEMBL2426360)
Show SMILES O=C(N1CCC(CC1)N1CCCC1)c1ccc(C(=O)N2CCC(CC2)N2CCCC2)c2ccccc12
Show InChI InChI=1S/C30H40N4O2/c35-29(33-19-11-23(12-20-33)31-15-3-4-16-31)27-9-10-28(26-8-2-1-7-25(26)27)30(36)34-21-13-24(14-22-34)32-17-5-6-18-32/h1-2,7-10,23-24H,3-6,11-22H2
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n/an/a 5.70E+3n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of MBTD1 (unknown origin) after 30 mins by AlphaScreen assay


J Med Chem 56: 7358-71 (2013)


Article DOI: 10.1021/jm400919p
BindingDB Entry DOI: 10.7270/Q2B27WRP
More data for this
Ligand-Target Pair
MBT domain-containing protein 1


(Homo sapiens (Human))
BDBM50440564
PNG
(CHEMBL2426359)
Show SMILES Cc1cc(C(=O)N2CCC(CC2)N2CCCC2)c(C)cc1C(=O)N1CCC(CC1)N1CCCC1
Show InChI InChI=1S/C28H42N4O2/c1-21-19-26(28(34)32-17-9-24(10-18-32)30-13-5-6-14-30)22(2)20-25(21)27(33)31-15-7-23(8-16-31)29-11-3-4-12-29/h19-20,23-24H,3-18H2,1-2H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of MBTD1 (unknown origin) after 30 mins by AlphaScreen assay


J Med Chem 56: 7358-71 (2013)


Article DOI: 10.1021/jm400919p
BindingDB Entry DOI: 10.7270/Q2B27WRP
More data for this
Ligand-Target Pair
MBT domain-containing protein 1


(Homo sapiens (Human))
BDBM50440565
PNG
(CHEMBL2426358)
Show SMILES Fc1c(F)c(C(=O)N2CCC(CC2)N2CCCC2)c(F)c(F)c1C(=O)N1CCC(CC1)N1CCCC1
Show InChI InChI=1S/C26H34F4N4O2/c27-21-19(25(35)33-13-5-17(6-14-33)31-9-1-2-10-31)22(28)24(30)20(23(21)29)26(36)34-15-7-18(8-16-34)32-11-3-4-12-32/h17-18H,1-16H2
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University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of MBTD1 (unknown origin) after 30 mins by AlphaScreen assay


J Med Chem 56: 7358-71 (2013)


Article DOI: 10.1021/jm400919p
BindingDB Entry DOI: 10.7270/Q2B27WRP
More data for this
Ligand-Target Pair
MBT domain-containing protein 1


(Homo sapiens (Human))
BDBM50440566
PNG
(CHEMBL2426478)
Show SMILES Nc1cc(ccc1C(=O)N1CCC(CC1)N1CCCC1)C(=O)N1CCC(CC1)N1CCCC1
Show InChI InChI=1S/C26H39N5O2/c27-24-19-20(25(32)30-15-7-21(8-16-30)28-11-1-2-12-28)5-6-23(24)26(33)31-17-9-22(10-18-31)29-13-3-4-14-29/h5-6,19,21-22H,1-4,7-18,27H2
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University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of MBTD1 (unknown origin) after 30 mins by AlphaScreen assay


J Med Chem 56: 7358-71 (2013)


Article DOI: 10.1021/jm400919p
BindingDB Entry DOI: 10.7270/Q2B27WRP
More data for this
Ligand-Target Pair
MBT domain-containing protein 1


(Homo sapiens (Human))
BDBM50440567
PNG
(CHEMBL2426477)
Show SMILES [O-][N+](=O)c1cc(ccc1C(=O)N1CCC(CC1)N1CCCC1)C(=O)N1CCC(CC1)N1CCCC1
Show InChI InChI=1S/C26H37N5O4/c32-25(29-15-7-21(8-16-29)27-11-1-2-12-27)20-5-6-23(24(19-20)31(34)35)26(33)30-17-9-22(10-18-30)28-13-3-4-14-28/h5-6,19,21-22H,1-4,7-18H2
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University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of MBTD1 (unknown origin) after 30 mins by AlphaScreen assay


J Med Chem 56: 7358-71 (2013)


Article DOI: 10.1021/jm400919p
BindingDB Entry DOI: 10.7270/Q2B27WRP
More data for this
Ligand-Target Pair
MBT domain-containing protein 1


(Homo sapiens (Human))
BDBM50440568
PNG
(CHEMBL2426476)
Show SMILES Brc1cc(ccc1C(=O)N1CCC(CC1)N1CCCC1)C(=O)N1CCC(CC1)N1CCCC1
Show InChI InChI=1S/C26H37BrN4O2/c27-24-19-20(25(32)30-15-7-21(8-16-30)28-11-1-2-12-28)5-6-23(24)26(33)31-17-9-22(10-18-31)29-13-3-4-14-29/h5-6,19,21-22H,1-4,7-18H2
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n/an/a 7.80E+3n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of MBTD1 (unknown origin) after 30 mins by AlphaScreen assay


J Med Chem 56: 7358-71 (2013)


Article DOI: 10.1021/jm400919p
BindingDB Entry DOI: 10.7270/Q2B27WRP
More data for this
Ligand-Target Pair
MBT domain-containing protein 1


(Homo sapiens (Human))
BDBM50440569
PNG
(CHEMBL2424678)
Show SMILES O=C(N1CCC(CC1)N1CCCC1)c1ccc(nc1)C(=O)N1CCC(CC1)N1CCCC1
Show InChI InChI=1S/C25H37N5O2/c31-24(29-15-7-21(8-16-29)27-11-1-2-12-27)20-5-6-23(26-19-20)25(32)30-17-9-22(10-18-30)28-13-3-4-14-28/h5-6,19,21-22H,1-4,7-18H2
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University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of MBTD1 (unknown origin) after 30 mins by AlphaScreen assay


J Med Chem 56: 7358-71 (2013)


Article DOI: 10.1021/jm400919p
BindingDB Entry DOI: 10.7270/Q2B27WRP
More data for this
Ligand-Target Pair
MBT domain-containing protein 1


(Homo sapiens (Human))
BDBM50440570
PNG
(CHEMBL2426475)
Show SMILES CN(C)C1CCN(CC1)C(=O)c1ccc(cc1)C(=O)N1CCC(CC1)N(C)C
Show InChI InChI=1S/C22H34N4O2/c1-23(2)19-9-13-25(14-10-19)21(27)17-5-7-18(8-6-17)22(28)26-15-11-20(12-16-26)24(3)4/h5-8,19-20H,9-16H2,1-4H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of MBTD1 (unknown origin) after 30 mins by AlphaScreen assay


J Med Chem 56: 7358-71 (2013)


Article DOI: 10.1021/jm400919p
BindingDB Entry DOI: 10.7270/Q2B27WRP
More data for this
Ligand-Target Pair
MBT domain-containing protein 1


(Homo sapiens (Human))
BDBM50440571
PNG
(CHEMBL2426474)
Show SMILES O=C(N1CCC(CC1)N1CCCCC1)c1ccc(cc1)C(=O)N1CCC(CC1)N1CCCCC1
Show InChI InChI=1S/C28H42N4O2/c33-27(31-19-11-25(12-20-31)29-15-3-1-4-16-29)23-7-9-24(10-8-23)28(34)32-21-13-26(14-22-32)30-17-5-2-6-18-30/h7-10,25-26H,1-6,11-22H2
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n/an/a 4.90E+3n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of MBTD1 (unknown origin) after 30 mins by AlphaScreen assay


J Med Chem 56: 7358-71 (2013)


Article DOI: 10.1021/jm400919p
BindingDB Entry DOI: 10.7270/Q2B27WRP
More data for this
Ligand-Target Pair
MBT domain-containing protein 1


(Homo sapiens (Human))
BDBM50440572
PNG
(CHEMBL2426473)
Show SMILES CN1CCCC1C1CCN(CC1)C(=O)c1ccc(cc1)C(=O)N1CCC(CC1)C1CCCN1C
Show InChI InChI=1S/C28H42N4O2/c1-29-15-3-5-25(29)21-11-17-31(18-12-21)27(33)23-7-9-24(10-8-23)28(34)32-19-13-22(14-20-32)26-6-4-16-30(26)2/h7-10,21-22,25-26H,3-6,11-20H2,1-2H3
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University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of MBTD1 (unknown origin) after 30 mins by AlphaScreen assay


J Med Chem 56: 7358-71 (2013)


Article DOI: 10.1021/jm400919p
BindingDB Entry DOI: 10.7270/Q2B27WRP
More data for this
Ligand-Target Pair
MBT domain-containing protein 1


(Homo sapiens (Human))
BDBM50440573
PNG
(CHEMBL2426472)
Show SMILES O=C(N1CCC(CC1)C1CCCN1)c1ccc(cc1)C(=O)N1CCC(CC1)C1CCCN1
Show InChI InChI=1S/C26H38N4O2/c31-25(29-15-9-19(10-16-29)23-3-1-13-27-23)21-5-7-22(8-6-21)26(32)30-17-11-20(12-18-30)24-4-2-14-28-24/h5-8,19-20,23-24,27-28H,1-4,9-18H2
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n/an/a 4.00E+3n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of MBTD1 (unknown origin) after 30 mins by AlphaScreen assay


J Med Chem 56: 7358-71 (2013)


Article DOI: 10.1021/jm400919p
BindingDB Entry DOI: 10.7270/Q2B27WRP
More data for this
Ligand-Target Pair
MBT domain-containing protein 1


(Homo sapiens (Human))
BDBM50440574
PNG
(CHEMBL2426471)
Show SMILES O=C(N1CCC(CC1)N1CCC1)c1ccc(cc1)C(=O)N1CCC(CC1)N1CCC1
Show InChI InChI=1S/C24H34N4O2/c29-23(27-15-7-21(8-16-27)25-11-1-12-25)19-3-5-20(6-4-19)24(30)28-17-9-22(10-18-28)26-13-2-14-26/h3-6,21-22H,1-2,7-18H2
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University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of MBTD1 (unknown origin) after 30 mins by AlphaScreen assay


J Med Chem 56: 7358-71 (2013)


Article DOI: 10.1021/jm400919p
BindingDB Entry DOI: 10.7270/Q2B27WRP
More data for this
Ligand-Target Pair
MBT domain-containing protein 1


(Homo sapiens (Human))
BDBM50440575
PNG
(CHEMBL2426470)
Show SMILES O=C(N1CC2CCC(C1)C2N1CCCC1)c1ccc(cc1)C(=O)N1CC2CCC(C1)C2N1CCCC1 |TLB:1:2:9:5.6,21:23:30:26.27|
Show InChI InChI=1S/C30H42N4O2/c35-29(33-17-23-9-10-24(18-33)27(23)31-13-1-2-14-31)21-5-7-22(8-6-21)30(36)34-19-25-11-12-26(20-34)28(25)32-15-3-4-16-32/h5-8,23-28H,1-4,9-20H2
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University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of MBTD1 (unknown origin) after 30 mins by AlphaScreen assay


J Med Chem 56: 7358-71 (2013)


Article DOI: 10.1021/jm400919p
BindingDB Entry DOI: 10.7270/Q2B27WRP
More data for this
Ligand-Target Pair
MBT domain-containing protein 1


(Homo sapiens (Human))
BDBM50440576
PNG
(CHEMBL2426469)
Show SMILES O=C(N1CCCC(CC1)N1CCCC1)c1ccc(cc1)C(=O)N1CCCC(CC1)N1CCCC1
Show InChI InChI=1S/C28H42N4O2/c33-27(31-19-5-7-25(13-21-31)29-15-1-2-16-29)23-9-11-24(12-10-23)28(34)32-20-6-8-26(14-22-32)30-17-3-4-18-30/h9-12,25-26H,1-8,13-22H2
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of MBTD1 (unknown origin) after 30 mins by AlphaScreen assay


J Med Chem 56: 7358-71 (2013)


Article DOI: 10.1021/jm400919p
BindingDB Entry DOI: 10.7270/Q2B27WRP
More data for this
Ligand-Target Pair
MBT domain-containing protein 1


(Homo sapiens (Human))
BDBM50440577
PNG
(CHEMBL2426468)
Show SMILES CN1CCN2CC(CC2C1)NC(=O)c1ccc(cc1)C(=O)N1CCC(CC1)N1CCCC1
Show InChI InChI=1S/C25H37N5O2/c1-27-14-15-30-17-21(16-23(30)18-27)26-24(31)19-4-6-20(7-5-19)25(32)29-12-8-22(9-13-29)28-10-2-3-11-28/h4-7,21-23H,2-3,8-18H2,1H3,(H,26,31)
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of MBTD1 (unknown origin) after 30 mins by AlphaScreen assay


J Med Chem 56: 7358-71 (2013)


Article DOI: 10.1021/jm400919p
BindingDB Entry DOI: 10.7270/Q2B27WRP
More data for this
Ligand-Target Pair
MBT domain-containing protein 1


(Homo sapiens (Human))
BDBM50440578
PNG
(CHEMBL2426467)
Show SMILES O=C(N1CC2CNCC2C1)c1ccc(cc1)C(=O)N1CCC(CC1)N1CCCC1
Show InChI InChI=1S/C23H32N4O2/c28-22(26-11-7-21(8-12-26)25-9-1-2-10-25)17-3-5-18(6-4-17)23(29)27-15-19-13-24-14-20(19)16-27/h3-6,19-21,24H,1-2,7-16H2
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of MBTD1 (unknown origin) after 30 mins by AlphaScreen assay


J Med Chem 56: 7358-71 (2013)


Article DOI: 10.1021/jm400919p
BindingDB Entry DOI: 10.7270/Q2B27WRP
More data for this
Ligand-Target Pair
MBT domain-containing protein 1


(Homo sapiens (Human))
BDBM50440579
PNG
(CHEMBL2426466)
Show SMILES O=C(N1CCC(CC1)N1CCCC1)c1ccc(cc1)C(=O)N1CCC2(CCNC2)CC1
Show InChI InChI=1S/C25H36N4O2/c30-23(28-15-7-22(8-16-28)27-13-1-2-14-27)20-3-5-21(6-4-20)24(31)29-17-10-25(11-18-29)9-12-26-19-25/h3-6,22,26H,1-2,7-19H2
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of MBTD1 (unknown origin) after 30 mins by AlphaScreen assay


J Med Chem 56: 7358-71 (2013)


Article DOI: 10.1021/jm400919p
BindingDB Entry DOI: 10.7270/Q2B27WRP
More data for this
Ligand-Target Pair
MBT domain-containing protein 1


(Homo sapiens (Human))
BDBM50440580
PNG
(CHEMBL2426465)
Show SMILES O=C(N1CCC2(CCNC2)C1)c1ccc(cc1)C(=O)N1CCC(CC1)N1CCCC1
Show InChI InChI=1S/C24H34N4O2/c29-22(27-14-7-21(8-15-27)26-12-1-2-13-26)19-3-5-20(6-4-19)23(30)28-16-10-24(18-28)9-11-25-17-24/h3-6,21,25H,1-2,7-18H2
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of MBTD1 (unknown origin) after 30 mins by AlphaScreen assay


J Med Chem 56: 7358-71 (2013)


Article DOI: 10.1021/jm400919p
BindingDB Entry DOI: 10.7270/Q2B27WRP
More data for this
Ligand-Target Pair
MBT domain-containing protein 1


(Homo sapiens (Human))
BDBM50440581
PNG
(CHEMBL2426464)
Show SMILES O=C(N1CC2(C1)CCNC2)c1ccc(cc1)C(=O)N1CCC(CC1)N1CCCC1
Show InChI InChI=1S/C23H32N4O2/c28-21(26-13-7-20(8-14-26)25-11-1-2-12-25)18-3-5-19(6-4-18)22(29)27-16-23(17-27)9-10-24-15-23/h3-6,20,24H,1-2,7-17H2
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of MBTD1 (unknown origin) after 30 mins by AlphaScreen assay


J Med Chem 56: 7358-71 (2013)


Article DOI: 10.1021/jm400919p
BindingDB Entry DOI: 10.7270/Q2B27WRP
More data for this
Ligand-Target Pair
MBT domain-containing protein 1


(Homo sapiens (Human))
BDBM50440582
PNG
(CHEMBL2426463)
Show SMILES O=C(NCCCN1CCCC1)c1ccc(cc1)C(=O)N1CCC(CC1)N1CCCC1
Show InChI InChI=1S/C24H36N4O2/c29-23(25-12-5-15-26-13-1-2-14-26)20-6-8-21(9-7-20)24(30)28-18-10-22(11-19-28)27-16-3-4-17-27/h6-9,22H,1-5,10-19H2,(H,25,29)
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of MBTD1 (unknown origin) after 30 mins by AlphaScreen assay


J Med Chem 56: 7358-71 (2013)


Article DOI: 10.1021/jm400919p
BindingDB Entry DOI: 10.7270/Q2B27WRP
More data for this
Ligand-Target Pair
MBT domain-containing protein 1


(Homo sapiens (Human))
BDBM50440583
PNG
(CHEMBL2426462)
Show SMILES O=C(N1CCC(C1)N1CCCC1)c1ccc(cc1)C(=O)N1CCC(CC1)N1CCCC1
Show InChI InChI=1S/C25H36N4O2/c30-24(28-16-9-22(10-17-28)26-12-1-2-13-26)20-5-7-21(8-6-20)25(31)29-18-11-23(19-29)27-14-3-4-15-27/h5-8,22-23H,1-4,9-19H2
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of MBTD1 (unknown origin) after 30 mins by AlphaScreen assay


J Med Chem 56: 7358-71 (2013)


Article DOI: 10.1021/jm400919p
BindingDB Entry DOI: 10.7270/Q2B27WRP
More data for this
Ligand-Target Pair
MBT domain-containing protein 1


(Homo sapiens (Human))
BDBM50440584
PNG
(CHEMBL2426461)
Show SMILES O=C(N1CC(C1)N1CCCC1)c1ccc(cc1)C(=O)N1CCC(CC1)N1CCCC1
Show InChI InChI=1S/C24H34N4O2/c29-23(27-15-9-21(10-16-27)25-11-1-2-12-25)19-5-7-20(8-6-19)24(30)28-17-22(18-28)26-13-3-4-14-26/h5-8,21-22H,1-4,9-18H2
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of MBTD1 (unknown origin) after 30 mins by AlphaScreen assay


J Med Chem 56: 7358-71 (2013)


Article DOI: 10.1021/jm400919p
BindingDB Entry DOI: 10.7270/Q2B27WRP
More data for this
Ligand-Target Pair
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