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BDBM50066436 2-(2,6-Dimethyl-phenyl)-5-hydroxy-isoindole-1,3-dione::2-(2,6-dimethylphenyl)-5-hydroxyisoindoline-1,3-dione::CHEMBL424612

SMILES: Cc1cccc(C)c1N1C(=O)c2ccc(O)cc2C1=O

InChI Key: InChIKey=GPUARNPEQNPVEX-UHFFFAOYSA-N

Data: 6 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 6 hits for monomerid = 50066436   
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
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50066436
PNG
(2-(2,6-Dimethyl-phenyl)-5-hydroxy-isoindole-1,3-di...)
Show SMILES Cc1cccc(C)c1N1C(=O)c2ccc(O)cc2C1=O
Show InChI InChI=1S/C16H13NO3/c1-9-4-3-5-10(2)14(9)17-15(19)12-7-6-11(18)8-13(12)16(17)20/h3-8,18H,1-2H3
PDB
MMDB

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PubMed
n/an/a 20n/an/an/an/an/an/a



University of Tokyo

Curated by ChEMBL


Assay Description
Inhibitory activity against Dipeptidylpeptidase IV (DPP IV) in human acute lymphoblastic leukemia MOLT-4 cell line


Bioorg Med Chem Lett 9: 559-62 (1999)


BindingDB Entry DOI: 10.7270/Q2ZW1MFX
More data for this
Ligand-Target Pair
Aminopeptidase N


(Homo sapiens (Human))
BDBM50066436
PNG
(2-(2,6-Dimethyl-phenyl)-5-hydroxy-isoindole-1,3-di...)
Show SMILES Cc1cccc(C)c1N1C(=O)c2ccc(O)cc2C1=O
Show InChI InChI=1S/C16H13NO3/c1-9-4-3-5-10(2)14(9)17-15(19)12-7-6-11(18)8-13(12)16(17)20/h3-8,18H,1-2H3
PDB

NCI pathway
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PubMed
n/an/a 10n/an/an/an/an/an/a



University of Tokyo

Curated by ChEMBL


Assay Description
Inhibitory activity against aminopeptidase N (APN) in human acute lymphoblastic leukemia MOLT-4 cell line


Bioorg Med Chem Lett 9: 559-62 (1999)


BindingDB Entry DOI: 10.7270/Q2ZW1MFX
More data for this
Ligand-Target Pair
Aminopeptidase


(Homo sapiens (Human))
BDBM50066436
PNG
(2-(2,6-Dimethyl-phenyl)-5-hydroxy-isoindole-1,3-di...)
Show SMILES Cc1cccc(C)c1N1C(=O)c2ccc(O)cc2C1=O
Show InChI InChI=1S/C16H13NO3/c1-9-4-3-5-10(2)14(9)17-15(19)12-7-6-11(18)8-13(12)16(17)20/h3-8,18H,1-2H3
PDB

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Article
PubMed
n/an/a 3.74E+4n/an/an/an/an/an/a



University of Tokyo

Curated by ChEMBL


Assay Description
Inhibitory activity against aminopeptidase N assayed by the L-Ala-MCA method.


J Med Chem 41: 263-5 (1998)


Article DOI: 10.1021/jm970624o
BindingDB Entry DOI: 10.7270/Q24X5BJC
More data for this
Ligand-Target Pair
Aminopeptidase


(Homo sapiens (Human))
BDBM50066436
PNG
(2-(2,6-Dimethyl-phenyl)-5-hydroxy-isoindole-1,3-di...)
Show SMILES Cc1cccc(C)c1N1C(=O)c2ccc(O)cc2C1=O
Show InChI InChI=1S/C16H13NO3/c1-9-4-3-5-10(2)14(9)17-15(19)12-7-6-11(18)8-13(12)16(17)20/h3-8,18H,1-2H3
PDB

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PubMed
n/an/a 3.85E+4n/an/an/an/an/an/a



University of Tokyo

Curated by ChEMBL


Assay Description
Inhibitory activity against aminopeptidase N (APN) in human acute lymphoblastic leukemia MOLT-4 cell line


Bioorg Med Chem Lett 9: 559-62 (1999)


BindingDB Entry DOI: 10.7270/Q2ZW1MFX
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50066436
PNG
(2-(2,6-Dimethyl-phenyl)-5-hydroxy-isoindole-1,3-di...)
Show SMILES Cc1cccc(C)c1N1C(=O)c2ccc(O)cc2C1=O
Show InChI InChI=1S/C16H13NO3/c1-9-4-3-5-10(2)14(9)17-15(19)12-7-6-11(18)8-13(12)16(17)20/h3-8,18H,1-2H3
PDB
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Article
PubMed
n/an/a 7.48E+4n/an/an/an/an/an/a



University of Tokyo

Curated by ChEMBL


Assay Description
Inhibitory activity against dipeptidyl peptidase IV (DPP- IV)


J Med Chem 41: 263-5 (1998)


Article DOI: 10.1021/jm970624o
BindingDB Entry DOI: 10.7270/Q24X5BJC
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50066436
PNG
(2-(2,6-Dimethyl-phenyl)-5-hydroxy-isoindole-1,3-di...)
Show SMILES Cc1cccc(C)c1N1C(=O)c2ccc(O)cc2C1=O
Show InChI InChI=1S/C16H13NO3/c1-9-4-3-5-10(2)14(9)17-15(19)12-7-6-11(18)8-13(12)16(17)20/h3-8,18H,1-2H3
PDB
MMDB

Reactome pathway
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UniChem

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PubMed
n/an/a 7.41E+4n/an/an/an/an/an/a



University of Tokyo

Curated by ChEMBL


Assay Description
Inhibitory activity against Dipeptidylpeptidase IV (DPP IV) in human acute lymphoblastic leukemia MOLT-4 cell line


Bioorg Med Chem Lett 9: 559-62 (1999)


BindingDB Entry DOI: 10.7270/Q2ZW1MFX
More data for this
Ligand-Target Pair