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BDBM50341828 3-bromo-5-[(4-pyrrolidin-1-ylpiperidin-1-yl)carbonyl]pyridine::5-Bromo-N-(4-(pyrrolidinyl)piperidinyl)nicotinamide::CHEMBL1235119

SMILES: Brc1cncc(c1)C(=O)N1CCC(CC1)N1CCCC1

InChI Key: InChIKey=CQERVFFAOOUFEQ-UHFFFAOYSA-N

Data: 22 IC50  2 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 24 hits for monomerid = 50341828   
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
Lethal(3)malignant brain tumor-like protein 1 (L3MBTL1)


(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
PHD finger protein 23 (PHF23)


(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>3.00E+4n/an/an/an/an/an/a



University of North Carolina

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged PHF23 (unknown origin) using H3K4Me3 as substrate incubated for 30 mins at room temperature followed by incubation under dar...


Medchemcomm 4: 1501-1507 (2013)


Article DOI: 10.1039/c3md00197k
BindingDB Entry DOI: 10.7270/Q2BV7KKN
More data for this
Ligand-Target Pair
Lethal(3)malignant brain tumor-like protein 1 (L3MBTL1)


(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
Lethal(3)malignant brain tumor-like protein 3 (L3MBTL3)


(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
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
MBT domain-containing protein 1 (MBTD1)


(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>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
Lethal(3)malignant brain tumor-like protein 3 (L3MBTL3)


(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 3.10E+3n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


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


J Med Chem 56: 7358-71 (2013)


Article DOI: 10.1021/jm400919p
BindingDB Entry DOI: 10.7270/Q2B27WRP
More data for this
Ligand-Target Pair
Lethal(3)malignant brain tumor-like protein 3 (L3MBTL3)


(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 4.70E+3n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of L3MBTL3 (unknown origin) using H4K20me2 as substrate after 30 mins by LNCE-TR-FRET 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
Lethal(3)malignant brain tumor-like protein 1 (L3MBTL1)


(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 4.20E+3n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


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


J Med Chem 56: 7358-71 (2013)


Article DOI: 10.1021/jm400919p
BindingDB Entry DOI: 10.7270/Q2B27WRP
More data for this
Ligand-Target Pair
Scm-like with four MBT domains protein 1


(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>1.00E+4n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of SFMBT1 (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
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>1.00E+4n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of L3MBTL4 (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
Lysine-specific demethylase 5A


(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>1.00E+4n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of JARID1A (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
PHD finger protein 23 (PHF23)


(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>1.00E+4n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of PHF23 (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
E3 ubiquitin-protein ligase (UHRF1)


(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>1.00E+4n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of UHRF1 (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
Tumor suppressor p53-binding protein 1


(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>1.00E+4n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of 53BP1 (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
Chromobox protein homolog 7 (CBX7)


(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>1.00E+4n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of CBX7 (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
Lethal(3)malignant brain tumor-like protein 1


(Homo sapiens)
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 2.10E+4n/an/an/an/an/an/a



University of North Carolina

Curated by ChEMBL


Assay Description
Inhibition of His-tagged L3MBTL1 (unknown origin) using H4K20Me1 as substrate incubated for 30 mins at room temperature followed by incubation under ...


Medchemcomm 4: 1501-1507 (2013)


Article DOI: 10.1039/c3md00197k
BindingDB Entry DOI: 10.7270/Q2BV7KKN
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Chromobox protein homolog 7


(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>3.00E+4n/an/an/an/an/an/a



University of North Carolina

Curated by ChEMBL


Assay Description
Inhibition of CBX7 (8 to 62) (unknown origin) expressed in Escherichia coli BL21 Rosetta DE3 using H3K9Me3 as substrate incubated for 30 mins at room...


Medchemcomm 4: 1501-1507 (2013)


Article DOI: 10.1039/c3md00197k
BindingDB Entry DOI: 10.7270/Q2BV7KKN
More data for this
Ligand-Target Pair
Lysine-specific demethylase 5A


(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>3.00E+4n/an/an/an/an/an/a



University of North Carolina

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged Jarid1A (unknown origin) using H3K4Me3 as substrate incubated for 30 mins at room temperature followed by incubation under d...


Medchemcomm 4: 1501-1507 (2013)


Article DOI: 10.1039/c3md00197k
BindingDB Entry DOI: 10.7270/Q2BV7KKN
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase (UHRF1)


(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>3.00E+4n/an/an/an/an/an/a



University of North Carolina

Curated by ChEMBL


Assay Description
Inhibition of UHRF1 tandem tudor domain (121 to 286) (unknown origin) expressed in Escherichia coli BL21 Rosetta DE3 using H3K9Me3 as substrate incub...


Medchemcomm 4: 1501-1507 (2013)


Article DOI: 10.1039/c3md00197k
BindingDB Entry DOI: 10.7270/Q2BV7KKN
More data for this
Ligand-Target Pair
Lethal(3)malignant brain tumor-like protein 3 (L3MBTL3)


(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 2.80E+3n/an/an/an/an/an/a



University of North Carolina

Curated by ChEMBL


Assay Description
Inhibition of His-tagged L3MBTL3 (unknown origin) using H4K20Me2 as substrate incubated for 30 mins at room temperature followed by incubation under ...


Medchemcomm 4: 1501-1507 (2013)


Article DOI: 10.1039/c3md00197k
BindingDB Entry DOI: 10.7270/Q2BV7KKN
More data for this
Ligand-Target Pair
Tumor suppressor p53-binding protein 1


(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>3.00E+4n/an/an/an/an/an/a



University of North Carolina

Curated by ChEMBL


Assay Description
Inhibition of 53BP1 (1485 to 1611) (unknown origin) expressed in Escherichia coli BL21 Rosetta DE3 using H4K20Me2 as substrate incubated for 30 mins ...


Medchemcomm 4: 1501-1507 (2013)


Article DOI: 10.1039/c3md00197k
BindingDB Entry DOI: 10.7270/Q2BV7KKN
More data for this
Ligand-Target Pair
MBT domain-containing protein 1 (MBTD1)


(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>3.00E+5n/an/an/an/an/an/a



University of North Carolina

Curated by ChEMBL


Assay Description
Inhibition of MBTD1 (130 to 566) (unknown origin) expressed in Escherichia coli BL21 Rosetta DE3 using H4K20Me1 as substrate incubated for 30 mins at...


Medchemcomm 4: 1501-1507 (2013)


Article DOI: 10.1039/c3md00197k
BindingDB Entry DOI: 10.7270/Q2BV7KKN
More data for this
Ligand-Target Pair
Lethal(3)malignant brain tumor-like protein 1 (L3MBTL1)


(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