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BDBM50075333 5-Amino-2-(2,6-diisopropyl-phenyl)-isoindole-1,3-dione::5-amino-2-(2,6-diisopropylphenyl)isoindoline-1,3-dione::CHEMBL90558

SMILES: CC(C)c1cccc(C(C)C)c1N1C(=O)c2ccc(N)cc2C1=O

InChI Key: InChIKey=NRPIRIUWEKTNGQ-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 = 50075333   
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))
BDBM50075333
PNG
(5-Amino-2-(2,6-diisopropyl-phenyl)-isoindole-1,3-d...)
Show SMILES CC(C)c1cccc(C(C)C)c1N1C(=O)c2ccc(N)cc2C1=O
Show InChI InChI=1S/C20H22N2O2/c1-11(2)14-6-5-7-15(12(3)4)18(14)22-19(23)16-9-8-13(21)10-17(16)20(22)24/h5-12H,21H2,1-4H3
PDB
MMDB

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PubMed
n/an/a 2.51E+5n/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))
BDBM50075333
PNG
(5-Amino-2-(2,6-diisopropyl-phenyl)-isoindole-1,3-d...)
Show SMILES CC(C)c1cccc(C(C)C)c1N1C(=O)c2ccc(N)cc2C1=O
Show InChI InChI=1S/C20H22N2O2/c1-11(2)14-6-5-7-15(12(3)4)18(14)22-19(23)16-9-8-13(21)10-17(16)20(22)24/h5-12H,21H2,1-4H3
PDB

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PubMed
n/an/a 1.68E+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))
BDBM50075333
PNG
(5-Amino-2-(2,6-diisopropyl-phenyl)-isoindole-1,3-d...)
Show SMILES CC(C)c1cccc(C(C)C)c1N1C(=O)c2ccc(N)cc2C1=O
Show InChI InChI=1S/C20H22N2O2/c1-11(2)14-6-5-7-15(12(3)4)18(14)22-19(23)16-9-8-13(21)10-17(16)20(22)24/h5-12H,21H2,1-4H3
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Article
PubMed
n/an/a 2.51E+5n/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
Aminopeptidase


(Homo sapiens (Human))
BDBM50075333
PNG
(5-Amino-2-(2,6-diisopropyl-phenyl)-isoindole-1,3-d...)
Show SMILES CC(C)c1cccc(C(C)C)c1N1C(=O)c2ccc(N)cc2C1=O
Show InChI InChI=1S/C20H22N2O2/c1-11(2)14-6-5-7-15(12(3)4)18(14)22-19(23)16-9-8-13(21)10-17(16)20(22)24/h5-12H,21H2,1-4H3
PDB

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PubMed
n/an/a 5.40n/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))
BDBM50075333
PNG
(5-Amino-2-(2,6-diisopropyl-phenyl)-isoindole-1,3-d...)
Show SMILES CC(C)c1cccc(C(C)C)c1N1C(=O)c2ccc(N)cc2C1=O
Show InChI InChI=1S/C20H22N2O2/c1-11(2)14-6-5-7-15(12(3)4)18(14)22-19(23)16-9-8-13(21)10-17(16)20(22)24/h5-12H,21H2,1-4H3
PDB

NCI pathway
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CHEMBL
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Article
PubMed
n/an/a 1.67E+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
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50075333
PNG
(5-Amino-2-(2,6-diisopropyl-phenyl)-isoindole-1,3-d...)
Show SMILES CC(C)c1cccc(C(C)C)c1N1C(=O)c2ccc(N)cc2C1=O
Show InChI InChI=1S/C20H22N2O2/c1-11(2)14-6-5-7-15(12(3)4)18(14)22-19(23)16-9-8-13(21)10-17(16)20(22)24/h5-12H,21H2,1-4H3
PDB
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CHEMBL
MCE
PC cid
PC sid
UniChem

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Similars

PubMed
n/an/a 81n/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