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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: 14 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 16 hits for monomerid = 50341828   
Target
(Institution)
LigandTarget
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)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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)

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)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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)

More data for this
Ligand-Target Pair
Lethal(3)malignant brain tumor-like protein 4


(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 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)

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)

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)

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)

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)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Scm-like with four MBT domains 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>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)

More data for this
Ligand-Target Pair
Lethal(3)malignant brain tumor-like protein 4


(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>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)

More data for this
Ligand-Target Pair
Histone demethylase JARID1A


(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)

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)

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)

More data for this
Ligand-Target Pair
Tumor suppressor p53-binding 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>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)

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)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)