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BDBM50075328 2-(2,6-Diisopropyl-phenyl)-5-hydroxy-isoindole-1,3-dione::2-(2,6-diisopropylphenyl)-5-hydroxyisoindoline-1,3-dione::CHEMBL313952

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

InChI Key: InChIKey=LAKWINYVWJPHQW-UHFFFAOYSA-N

Data: 7 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 7 hits for monomerid = 50075328   
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))
BDBM50075328
PNG
(2-(2,6-Diisopropyl-phenyl)-5-hydroxy-isoindole-1,3...)
Show SMILES CC(C)c1cccc(C(C)C)c1N1C(=O)c2ccc(O)cc2C1=O
Show InChI InChI=1S/C20H21NO3/c1-11(2)14-6-5-7-15(12(3)4)18(14)21-19(23)16-9-8-13(22)10-17(16)20(21)24/h5-12,22H,1-4H3
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PubMed
n/an/a 21n/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
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50075328
PNG
(2-(2,6-Diisopropyl-phenyl)-5-hydroxy-isoindole-1,3...)
Show SMILES CC(C)c1cccc(C(C)C)c1N1C(=O)c2ccc(O)cc2C1=O
Show InChI InChI=1S/C20H21NO3/c1-11(2)14-6-5-7-15(12(3)4)18(14)21-19(23)16-9-8-13(22)10-17(16)20(21)24/h5-12,22H,1-4H3
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PubMed
n/an/a 6.59E+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
Aminopeptidase N


(Homo sapiens (Human))
BDBM50075328
PNG
(2-(2,6-Diisopropyl-phenyl)-5-hydroxy-isoindole-1,3...)
Show SMILES CC(C)c1cccc(C(C)C)c1N1C(=O)c2ccc(O)cc2C1=O
Show InChI InChI=1S/C20H21NO3/c1-11(2)14-6-5-7-15(12(3)4)18(14)21-19(23)16-9-8-13(22)10-17(16)20(21)24/h5-12,22H,1-4H3
PDB

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PubMed
n/an/a 4.64E+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
Aminopeptidase


(Homo sapiens (Human))
BDBM50075328
PNG
(2-(2,6-Diisopropyl-phenyl)-5-hydroxy-isoindole-1,3...)
Show SMILES CC(C)c1cccc(C(C)C)c1N1C(=O)c2ccc(O)cc2C1=O
Show InChI InChI=1S/C20H21NO3/c1-11(2)14-6-5-7-15(12(3)4)18(14)21-19(23)16-9-8-13(22)10-17(16)20(21)24/h5-12,22H,1-4H3
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Article
PubMed
n/an/a 4.63E+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
Tubulin beta chain


(Sus scrofa)
BDBM50075328
PNG
(2-(2,6-Diisopropyl-phenyl)-5-hydroxy-isoindole-1,3...)
Show SMILES CC(C)c1cccc(C(C)C)c1N1C(=O)c2ccc(O)cc2C1=O
Show InChI InChI=1S/C20H21NO3/c1-11(2)14-6-5-7-15(12(3)4)18(14)21-19(23)16-9-8-13(22)10-17(16)20(21)24/h5-12,22H,1-4H3
PDB

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Article
PubMed
n/an/a 6.90E+3n/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Inhibition of tubulin polymerization in porcine brain


Bioorg Med Chem Lett 16: 4748-51 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.091
BindingDB Entry DOI: 10.7270/Q2PG1VGN
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50075328
PNG
(2-(2,6-Diisopropyl-phenyl)-5-hydroxy-isoindole-1,3...)
Show SMILES CC(C)c1cccc(C(C)C)c1N1C(=O)c2ccc(O)cc2C1=O
Show InChI InChI=1S/C20H21NO3/c1-11(2)14-6-5-7-15(12(3)4)18(14)21-19(23)16-9-8-13(22)10-17(16)20(21)24/h5-12,22H,1-4H3
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Article
PubMed
n/an/a 6.49E+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
Aminopeptidase


(Homo sapiens (Human))
BDBM50075328
PNG
(2-(2,6-Diisopropyl-phenyl)-5-hydroxy-isoindole-1,3...)
Show SMILES CC(C)c1cccc(C(C)C)c1N1C(=O)c2ccc(O)cc2C1=O
Show InChI InChI=1S/C20H21NO3/c1-11(2)14-6-5-7-15(12(3)4)18(14)21-19(23)16-9-8-13(22)10-17(16)20(21)24/h5-12,22H,1-4H3
PDB

NCI pathway
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CHEMBL
PC cid
PC sid
UniChem

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PubMed
n/an/a 15n/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