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BDBM50440592 CHEMBL2426489

SMILES: C[N+]1(CCCC1)C1CCN(CC1)C(=O)c1ccc(cc1)C(=O)N1CCC(CC1)N1CCCC1

InChI Key: InChIKey=KORFLEZCHHHWRG-UHFFFAOYSA-N

Data: 11 IC50

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 11 hits for monomerid = 50440592   
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
MBT domain-containing protein 1 (MBTD1)


(Homo sapiens (Human))
BDBM50440592
PNG
(CHEMBL2426489)
Show SMILES C[N+]1(CCCC1)C1CCN(CC1)C(=O)c1ccc(cc1)C(=O)N1CCC(CC1)N1CCCC1
Show InChI InChI=1S/C27H41N4O2/c1-31(20-4-5-21-31)25-12-18-30(19-13-25)27(33)23-8-6-22(7-9-23)26(32)29-16-10-24(11-17-29)28-14-2-3-15-28/h6-9,24-25H,2-5,10-21H2,1H3/q+1
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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))
BDBM50440592
PNG
(CHEMBL2426489)
Show SMILES C[N+]1(CCCC1)C1CCN(CC1)C(=O)c1ccc(cc1)C(=O)N1CCC(CC1)N1CCCC1
Show InChI InChI=1S/C27H41N4O2/c1-31(20-4-5-21-31)25-12-18-30(19-13-25)27(33)23-8-6-22(7-9-23)26(32)29-16-10-24(11-17-29)28-14-2-3-15-28/h6-9,24-25H,2-5,10-21H2,1H3/q+1
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n/an/a 140n/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))
BDBM50440592
PNG
(CHEMBL2426489)
Show SMILES C[N+]1(CCCC1)C1CCN(CC1)C(=O)c1ccc(cc1)C(=O)N1CCC(CC1)N1CCCC1
Show InChI InChI=1S/C27H41N4O2/c1-31(20-4-5-21-31)25-12-18-30(19-13-25)27(33)23-8-6-22(7-9-23)26(32)29-16-10-24(11-17-29)28-14-2-3-15-28/h6-9,24-25H,2-5,10-21H2,1H3/q+1
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n/an/a 81n/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
PHD finger protein 23 (PHF23)


(Homo sapiens (Human))
BDBM50440592
PNG
(CHEMBL2426489)
Show SMILES C[N+]1(CCCC1)C1CCN(CC1)C(=O)c1ccc(cc1)C(=O)N1CCC(CC1)N1CCCC1
Show InChI InChI=1S/C27H41N4O2/c1-31(20-4-5-21-31)25-12-18-30(19-13-25)27(33)23-8-6-22(7-9-23)26(32)29-16-10-24(11-17-29)28-14-2-3-15-28/h6-9,24-25H,2-5,10-21H2,1H3/q+1
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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
Lethal(3)malignant brain tumor-like protein 1 (L3MBTL1)


(Homo sapiens (Human))
BDBM50440592
PNG
(CHEMBL2426489)
Show SMILES C[N+]1(CCCC1)C1CCN(CC1)C(=O)c1ccc(cc1)C(=O)N1CCC(CC1)N1CCCC1
Show InChI InChI=1S/C27H41N4O2/c1-31(20-4-5-21-31)25-12-18-30(19-13-25)27(33)23-8-6-22(7-9-23)26(32)29-16-10-24(11-17-29)28-14-2-3-15-28/h6-9,24-25H,2-5,10-21H2,1H3/q+1
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n/an/a 7.50E+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
Chromobox protein homolog 7 (CBX7)


(Homo sapiens (Human))
BDBM50440592
PNG
(CHEMBL2426489)
Show SMILES C[N+]1(CCCC1)C1CCN(CC1)C(=O)c1ccc(cc1)C(=O)N1CCC(CC1)N1CCCC1
Show InChI InChI=1S/C27H41N4O2/c1-31(20-4-5-21-31)25-12-18-30(19-13-25)27(33)23-8-6-22(7-9-23)26(32)29-16-10-24(11-17-29)28-14-2-3-15-28/h6-9,24-25H,2-5,10-21H2,1H3/q+1
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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 4


(Homo sapiens)
BDBM50440592
PNG
(CHEMBL2426489)
Show SMILES C[N+]1(CCCC1)C1CCN(CC1)C(=O)c1ccc(cc1)C(=O)N1CCC(CC1)N1CCCC1
Show InChI InChI=1S/C27H41N4O2/c1-31(20-4-5-21-31)25-12-18-30(19-13-25)27(33)23-8-6-22(7-9-23)26(32)29-16-10-24(11-17-29)28-14-2-3-15-28/h6-9,24-25H,2-5,10-21H2,1H3/q+1
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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))
BDBM50440592
PNG
(CHEMBL2426489)
Show SMILES C[N+]1(CCCC1)C1CCN(CC1)C(=O)c1ccc(cc1)C(=O)N1CCC(CC1)N1CCCC1
Show InChI InChI=1S/C27H41N4O2/c1-31(20-4-5-21-31)25-12-18-30(19-13-25)27(33)23-8-6-22(7-9-23)26(32)29-16-10-24(11-17-29)28-14-2-3-15-28/h6-9,24-25H,2-5,10-21H2,1H3/q+1
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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
E3 ubiquitin-protein ligase (UHRF1)


(Homo sapiens (Human))
BDBM50440592
PNG
(CHEMBL2426489)
Show SMILES C[N+]1(CCCC1)C1CCN(CC1)C(=O)c1ccc(cc1)C(=O)N1CCC(CC1)N1CCCC1
Show InChI InChI=1S/C27H41N4O2/c1-31(20-4-5-21-31)25-12-18-30(19-13-25)27(33)23-8-6-22(7-9-23)26(32)29-16-10-24(11-17-29)28-14-2-3-15-28/h6-9,24-25H,2-5,10-21H2,1H3/q+1
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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)
BDBM50440592
PNG
(CHEMBL2426489)
Show SMILES C[N+]1(CCCC1)C1CCN(CC1)C(=O)c1ccc(cc1)C(=O)N1CCC(CC1)N1CCCC1
Show InChI InChI=1S/C27H41N4O2/c1-31(20-4-5-21-31)25-12-18-30(19-13-25)27(33)23-8-6-22(7-9-23)26(32)29-16-10-24(11-17-29)28-14-2-3-15-28/h6-9,24-25H,2-5,10-21H2,1H3/q+1
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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
Scm-like with four MBT domains protein 1


(Homo sapiens)
BDBM50440592
PNG
(CHEMBL2426489)
Show SMILES C[N+]1(CCCC1)C1CCN(CC1)C(=O)c1ccc(cc1)C(=O)N1CCC(CC1)N1CCCC1
Show InChI InChI=1S/C27H41N4O2/c1-31(20-4-5-21-31)25-12-18-30(19-13-25)27(33)23-8-6-22(7-9-23)26(32)29-16-10-24(11-17-29)28-14-2-3-15-28/h6-9,24-25H,2-5,10-21H2,1H3/q+1
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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