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BDBM50066444 2-(2,6-Dimethyl-phenyl)-5-nitro-isoindole-1,3-dione::CHEMBL113918

SMILES: Cc1cccc(C)c1N1C(=O)c2ccc(cc2C1=O)[N+]([O-])=O

InChI Key: InChIKey=DMRMQGCQZNLKHA-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 50066444   
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))
BDBM50066444
PNG
(2-(2,6-Dimethyl-phenyl)-5-nitro-isoindole-1,3-dion...)
Show SMILES Cc1cccc(C)c1N1C(=O)c2ccc(cc2C1=O)[N+]([O-])=O
Show InChI InChI=1S/C16H12N2O4/c1-9-4-3-5-10(2)14(9)17-15(19)12-7-6-11(18(21)22)8-13(12)16(17)20/h3-8H,1-2H3
PDB
MMDB

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CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a>3.38E+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
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50066444
PNG
(2-(2,6-Dimethyl-phenyl)-5-nitro-isoindole-1,3-dion...)
Show SMILES Cc1cccc(C)c1N1C(=O)c2ccc(cc2C1=O)[N+]([O-])=O
Show InChI InChI=1S/C16H12N2O4/c1-9-4-3-5-10(2)14(9)17-15(19)12-7-6-11(18(21)22)8-13(12)16(17)20/h3-8H,1-2H3
PDB
MMDB

Reactome pathway
KEGG

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B.MOAD
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antibodypedia
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CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a>100n/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


(Homo sapiens (Human))
BDBM50066444
PNG
(2-(2,6-Dimethyl-phenyl)-5-nitro-isoindole-1,3-dion...)
Show SMILES Cc1cccc(C)c1N1C(=O)c2ccc(cc2C1=O)[N+]([O-])=O
Show InChI InChI=1S/C16H12N2O4/c1-9-4-3-5-10(2)14(9)17-15(19)12-7-6-11(18(21)22)8-13(12)16(17)20/h3-8H,1-2H3
PDB

NCI pathway
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CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a>100n/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