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PubMed code 21417280

Compile data set for download or QSAR
Found 16 hits of Enzyme Inhibition Constant Data   
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
Isoform 4 of Lethal(3)malignant brain tumor-like protein 1 (4)


(Homo sapiens (Human))		BDBM50341828
PNG
(3-bromo-5-[(4-pyrrolidin-1-ylpiperidin-1-yl)carbon...)
Show SMILES Brc1cncc(c1)C(=O)N1CCC(CC1)N1CCCC1
Show InChI InChI=1S/C15H20BrN3O/c16-13-9-12(10-17-11-13)15(20)19-7-3-14(4-8-19)18-5-1-2-6-18/h9-11,14H,1-8H2
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n/an/a 6.00E+3n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Binding affinity to human L3MBTL1 by chemiluminescent assay

J Med Chem 54: 2504-11 (2011)


Article DOI: 10.1021/jm200045v
BindingDB Entry DOI: 10.7270/Q2HH6KCP
More data for this
Ligand-Target Pair
Lethal(3)malignant brain tumor-like protein 3


(Homo sapiens (Human))		BDBM50341830
PNG
(5-Bromo-N-(5-(pyrrolidin-1-yl)pentylnicotinamide |...)
Show SMILES Brc1cncc(c1)C(=O)NCCCCCN1CCCC1
Show InChI InChI=1S/C15H22BrN3O/c16-14-10-13(11-17-12-14)15(20)18-6-2-1-3-7-19-8-4-5-9-19/h10-12H,1-9H2,(H,18,20)
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n/an/a 2.80E+4n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Binding affinity to L3MBTL3 by chemiluminescent assay

J Med Chem 54: 2504-11 (2011)


Article DOI: 10.1021/jm200045v
BindingDB Entry DOI: 10.7270/Q2HH6KCP
More data for this
Ligand-Target Pair
Lethal(3)malignant brain tumor-like protein 3


(Homo sapiens (Human))		BDBM50341828
PNG
(3-bromo-5-[(4-pyrrolidin-1-ylpiperidin-1-yl)carbon...)
Show SMILES Brc1cncc(c1)C(=O)N1CCC(CC1)N1CCCC1
Show InChI InChI=1S/C15H20BrN3O/c16-13-9-12(10-17-11-13)15(20)19-7-3-14(4-8-19)18-5-1-2-6-18/h9-11,14H,1-8H2
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n/an/a 3.50E+4n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Binding affinity to L3MBTL3 by chemiluminescent assay

J Med Chem 54: 2504-11 (2011)


Article DOI: 10.1021/jm200045v
BindingDB Entry DOI: 10.7270/Q2HH6KCP
More data for this
Ligand-Target Pair
Isoform 4 of Lethal(3)malignant brain tumor-like protein 1 (4)


(Homo sapiens (Human))		BDBM50341830
PNG
(5-Bromo-N-(5-(pyrrolidin-1-yl)pentylnicotinamide |...)
Show SMILES Brc1cncc(c1)C(=O)NCCCCCN1CCCC1
Show InChI InChI=1S/C15H22BrN3O/c16-14-10-13(11-17-12-14)15(20)18-6-2-1-3-7-19-8-4-5-9-19/h10-12H,1-9H2,(H,18,20)
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n/an/a 4.60E+4n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Binding affinity to human L3MBTL1 by chemiluminescent assay

J Med Chem 54: 2504-11 (2011)


Article DOI: 10.1021/jm200045v
BindingDB Entry DOI: 10.7270/Q2HH6KCP
More data for this
Ligand-Target Pair
PHD finger protein 13


(Homo sapiens (Human))		BDBM50341830
PNG
(5-Bromo-N-(5-(pyrrolidin-1-yl)pentylnicotinamide |...)
Show SMILES Brc1cncc(c1)C(=O)NCCCCCN1CCCC1
Show InChI InChI=1S/C15H22BrN3O/c16-14-10-13(11-17-12-14)15(20)18-6-2-1-3-7-19-8-4-5-9-19/h10-12H,1-9H2,(H,18,20)
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n/an/a 4.80E+4n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Binding affinity to PHF13 by chemiluminescent assay

J Med Chem 54: 2504-11 (2011)


Article DOI: 10.1021/jm200045v
BindingDB Entry DOI: 10.7270/Q2HH6KCP
More data for this
Ligand-Target Pair
Lethal(3)malignant brain tumor-like protein 4


(Homo sapiens (Human))		BDBM50341828
PNG
(3-bromo-5-[(4-pyrrolidin-1-ylpiperidin-1-yl)carbon...)
Show SMILES Brc1cncc(c1)C(=O)N1CCC(CC1)N1CCCC1
Show InChI InChI=1S/C15H20BrN3O/c16-13-9-12(10-17-11-13)15(20)19-7-3-14(4-8-19)18-5-1-2-6-18/h9-11,14H,1-8H2
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n/an/a 6.90E+4n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Binding affinity to L3MBTL4 by chemiluminescent assay

J Med Chem 54: 2504-11 (2011)


Article DOI: 10.1021/jm200045v
BindingDB Entry DOI: 10.7270/Q2HH6KCP
More data for this
Ligand-Target Pair
Isoform 4 of Lethal(3)malignant brain tumor-like protein 1 (4)


(Homo sapiens (Human))		BDBM50341829
PNG
(3-Bromo-N-(5-pyrrolidin-1-yl)pentylbenzenesulfonam...)
Show SMILES Brc1cccc(c1)S(=O)(=O)NCCCCCN1CCCC1
Show InChI InChI=1S/C15H23BrN2O2S/c16-14-7-6-8-15(13-14)21(19,20)17-9-2-1-3-10-18-11-4-5-12-18/h6-8,13,17H,1-5,9-12H2
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n/an/an/a 2.50E+4n/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Binding affinity to human L3MBTL1 assessed as dissociation constant by isothermal titration calorimetric assay

J Med Chem 54: 2504-11 (2011)


Article DOI: 10.1021/jm200045v
BindingDB Entry DOI: 10.7270/Q2HH6KCP
More data for this
Ligand-Target Pair
Isoform 4 of Lethal(3)malignant brain tumor-like protein 1 (4)


(Homo sapiens (Human))		BDBM50341830
PNG
(5-Bromo-N-(5-(pyrrolidin-1-yl)pentylnicotinamide |...)
Show SMILES Brc1cncc(c1)C(=O)NCCCCCN1CCCC1
Show InChI InChI=1S/C15H22BrN3O/c16-14-10-13(11-17-12-14)15(20)18-6-2-1-3-7-19-8-4-5-9-19/h10-12H,1-9H2,(H,18,20)
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n/an/an/a 2.60E+4n/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Binding affinity to human L3MBTL1 assessed as dissociation constant by isothermal titration calorimetric assay

J Med Chem 54: 2504-11 (2011)


Article DOI: 10.1021/jm200045v
BindingDB Entry DOI: 10.7270/Q2HH6KCP
More data for this
Ligand-Target Pair
Isoform 4 of Lethal(3)malignant brain tumor-like protein 1 (4)


(Homo sapiens (Human))		BDBM50341833
PNG
((S)-2-amino-N-((S)-1-(5-(ethyl(methyl)amino)pentyl...)
Show SMILES CCN(C)CCCCCNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)Cc1cnc[nH]1 |r|
Show InChI InChI=1S/C23H36N6O2/c1-3-29(2)13-9-5-8-12-26-23(31)21(14-18-10-6-4-7-11-18)28-22(30)20(24)15-19-16-25-17-27-19/h4,6-7,10-11,16-17,20-21H,3,5,8-9,12-15,24H2,1-2H3,(H,25,27)(H,26,31)(H,28,30)/t20-,21-/m0/s1
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n/an/an/a 7.80E+4n/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Binding affinity to human L3MBTL1 assessed as dissociation constant by isothermal titration calorimetric assay

J Med Chem 54: 2504-11 (2011)


Article DOI: 10.1021/jm200045v
BindingDB Entry DOI: 10.7270/Q2HH6KCP
More data for this
Ligand-Target Pair
Isoform 4 of Lethal(3)malignant brain tumor-like protein 1 (4)


(Homo sapiens (Human))		BDBM50341831
PNG
((S)-2-amino-3-(1H-imidazol-4-yl)-N-((S)-1-oxo-3-ph...)
Show SMILES N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCCCCCN1CCCC1 |r|
Show InChI InChI=1S/C24H36N6O2/c25-21(16-20-17-26-18-28-20)23(31)29-22(15-19-9-3-1-4-10-19)24(32)27-11-5-2-6-12-30-13-7-8-14-30/h1,3-4,9-10,17-18,21-22H,2,5-8,11-16,25H2,(H,26,28)(H,27,32)(H,29,31)/t21-,22-/m0/s1
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n/an/an/a 3.70E+4n/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Binding affinity to human L3MBTL1 assessed as dissociation constant by isothermal titration calorimetric assay

J Med Chem 54: 2504-11 (2011)


Article DOI: 10.1021/jm200045v
BindingDB Entry DOI: 10.7270/Q2HH6KCP
More data for this
Ligand-Target Pair
Isoform 4 of Lethal(3)malignant brain tumor-like protein 1 (4)


(Homo sapiens (Human))		BDBM50341828
PNG
(3-bromo-5-[(4-pyrrolidin-1-ylpiperidin-1-yl)carbon...)
Show SMILES Brc1cncc(c1)C(=O)N1CCC(CC1)N1CCCC1
Show InChI InChI=1S/C15H20BrN3O/c16-13-9-12(10-17-11-13)15(20)19-7-3-14(4-8-19)18-5-1-2-6-18/h9-11,14H,1-8H2
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n/an/an/a 5.00E+3n/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Binding affinity to human L3MBTL1 assessed as dissociation constant by isothermal titration calorimetric assay

J Med Chem 54: 2504-11 (2011)


Article DOI: 10.1021/jm200045v
BindingDB Entry DOI: 10.7270/Q2HH6KCP
More data for this
Ligand-Target Pair
Isoform 4 of Lethal(3)malignant brain tumor-like protein 1 (4)


(Homo sapiens (Human))		BDBM50341828
PNG
(3-bromo-5-[(4-pyrrolidin-1-ylpiperidin-1-yl)carbon...)
Show SMILES Brc1cncc(c1)C(=O)N1CCC(CC1)N1CCCC1
Show InChI InChI=1S/C15H20BrN3O/c16-13-9-12(10-17-11-13)15(20)19-7-3-14(4-8-19)18-5-1-2-6-18/h9-11,14H,1-8H2
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n/an/an/a 1.00E+4n/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Displacement of FAM-AHA-ARTKQTARK(Me)STGGKA-CO2H from human L3MBTL1 assessed as apparent disociation constant after 20 mins by FP-displacement Assay

J Med Chem 54: 2504-11 (2011)


Article DOI: 10.1021/jm200045v
BindingDB Entry DOI: 10.7270/Q2HH6KCP
More data for this
Ligand-Target Pair
Isoform 4 of Lethal(3)malignant brain tumor-like protein 1 (4)


(Homo sapiens (Human))		BDBM50341832
PNG
((S)-3-Bromo-N-(5-(3-fluoro)pyrrolidin-1-yl)pentylb...)
Show SMILES F[C@H]1CCN(CCCCCNS(=O)(=O)c2cccc(Br)c2)C1 |r|
Show InChI InChI=1S/C15H22BrFN2O2S/c16-13-5-4-6-15(11-13)22(20,21)18-8-2-1-3-9-19-10-7-14(17)12-19/h4-6,11,14,18H,1-3,7-10,12H2/t14-/m0/s1
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n/an/an/a 5.10E+4n/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Binding affinity to human L3MBTL1 assessed as dissociation constant by isothermal titration calorimetric assay

J Med Chem 54: 2504-11 (2011)


Article DOI: 10.1021/jm200045v
BindingDB Entry DOI: 10.7270/Q2HH6KCP
More data for this
Ligand-Target Pair
Isoform 4 of Lethal(3)malignant brain tumor-like protein 1 (4)


(Homo sapiens (Human))		BDBM50341836
PNG
(5-Bromo-N-(5-(2-methyl)pyrrolidin-1-yl)pentylbenze...)
Show SMILES CC1CCCN1CCCCCNS(=O)(=O)c1cccc(Br)c1
Show InChI InChI=1S/C16H25BrN2O2S/c1-14-7-6-12-19(14)11-4-2-3-10-18-22(20,21)16-9-5-8-15(17)13-16/h5,8-9,13-14,18H,2-4,6-7,10-12H2,1H3
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n/an/an/a>1.00E+5n/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Binding affinity to human L3MBTL1 assessed as dissociation constant by isothermal titration calorimetric assay

J Med Chem 54: 2504-11 (2011)


Article DOI: 10.1021/jm200045v
BindingDB Entry DOI: 10.7270/Q2HH6KCP
More data for this
Ligand-Target Pair
Isoform 4 of Lethal(3)malignant brain tumor-like protein 1 (4)


(Homo sapiens (Human))		BDBM50341834
PNG
((S)-2-amino-3-(1H-imidazol-4-yl)-N-((S)-1-(5-(meth...)
Show SMILES CNCCCCCNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)Cc1cnc[nH]1 |r|
Show InChI InChI=1S/C21H32N6O2/c1-23-10-6-3-7-11-25-21(29)19(12-16-8-4-2-5-9-16)27-20(28)18(22)13-17-14-24-15-26-17/h2,4-5,8-9,14-15,18-19,23H,3,6-7,10-13,22H2,1H3,(H,24,26)(H,25,29)(H,27,28)/t18-,19-/m0/s1
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University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Binding affinity to human L3MBTL1 assessed as dissociation constant by isothermal titration calorimetric assay

J Med Chem 54: 2504-11 (2011)


Article DOI: 10.1021/jm200045v
BindingDB Entry DOI: 10.7270/Q2HH6KCP
More data for this
Ligand-Target Pair
Isoform 4 of Lethal(3)malignant brain tumor-like protein 1 (4)


(Homo sapiens (Human))		BDBM50341835
PNG
((S)-2-amino-N-((S)-1-(5-(dimethylamino)pentylamino...)
Show SMILES CN(C)CCCCCNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)Cc1cnc[nH]1 |r|
Show InChI InChI=1S/C22H34N6O2/c1-28(2)12-8-4-7-11-25-22(30)20(13-17-9-5-3-6-10-17)27-21(29)19(23)14-18-15-24-16-26-18/h3,5-6,9-10,15-16,19-20H,4,7-8,11-14,23H2,1-2H3,(H,24,26)(H,25,30)(H,27,29)/t19-,20-/m0/s1
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n/an/an/a>1.00E+5n/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Binding affinity to human L3MBTL1 assessed as dissociation constant by isothermal titration calorimetric assay

J Med Chem 54: 2504-11 (2011)


Article DOI: 10.1021/jm200045v
BindingDB Entry DOI: 10.7270/Q2HH6KCP
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%