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3 similar compounds to monomer 50070114

Compile data set for download or QSAR
Wt: 272.2
BDBM50111217
Wt: 244.2
BDBM50111219
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Wt: 383.4
BDBM50274984

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50111217,50111219,50274984   
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
Prostaglandin G/H synthase (Cyclooxygenase-2)


(Ovis aries (Sheep))
BDBM50111219
PNG
(2-(2-Oxo-piperidin-3-yl)-isoindole-1,3-dione | CHE...)
Show SMILES O=C1N(C2CCCNC2=O)C(=O)c2ccccc12
Show InChI InChI=1S/C13H12N2O3/c16-11-10(6-3-7-14-11)15-12(17)8-4-1-2-5-9(8)13(15)18/h1-2,4-5,10H,3,6-7H2,(H,14,16)
PDB
MMDB

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CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 1.21E+3n/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Inhibitory activity (RA2) of the compound against Prostaglandin G/H synthase 2 was calculated relative to aspirin


Bioorg Med Chem Lett 12: 1043-6 (2002)


Article DOI: 10.1016/s0960-894x(02)00084-7
BindingDB Entry DOI: 10.7270/Q28K78D9
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (Cyclooxygenase-2)


(Ovis aries (Sheep))
BDBM50111217
PNG
(2-((R)-3-Methyl-2,6-dioxo-piperidin-3-yl)-isoindol...)
Show SMILES C[C@]1(CCC(=O)NC1=O)N1C(=O)c2ccccc2C1=O
Show InChI InChI=1S/C14H12N2O4/c1-14(7-6-10(17)15-13(14)20)16-11(18)8-4-2-3-5-9(8)12(16)19/h2-5H,6-7H2,1H3,(H,15,17,20)/t14-/m1/s1
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CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 730n/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Inhibitory activity (RA2) of the compound against Prostaglandin G/H synthase 2 was calculated relative to aspirin


Bioorg Med Chem Lett 12: 1043-6 (2002)


Article DOI: 10.1016/s0960-894x(02)00084-7
BindingDB Entry DOI: 10.7270/Q28K78D9
More data for this
Ligand-Target Pair
Prolyl endopeptidase


(Rattus norvegicus)
BDBM50274984
PNG
(2-{4-Oxo-4-[(2S)-2-(pyrrolidinocarbonyl)pyrrolidin...)
Show SMILES O=C(CCCN1C(=O)c2ccccc2C1=O)N1CCC[C@H]1C(=O)N1CCCC1
Show InChI InChI=1S/C21H25N3O4/c25-18(23-13-5-9-17(23)21(28)22-11-3-4-12-22)10-6-14-24-19(26)15-7-1-2-8-16(15)20(24)27/h1-2,7-8,17H,3-6,9-14H2/t17-/m0/s1
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Patents


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Article
PubMed
n/an/a 40n/an/an/an/an/an/a



CHINOIN, Ltd

Curated by ChEMBL


Assay Description
Inhibition of POP in Sprague-Dawley rat brain homogenates


J Med Chem 51: 7514-22 (2009)


Article DOI: 10.1021/jm800944x
BindingDB Entry DOI: 10.7270/Q2NG4QFC
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50111217
PNG
(2-((R)-3-Methyl-2,6-dioxo-piperidin-3-yl)-isoindol...)
Show SMILES C[C@]1(CCC(=O)NC1=O)N1C(=O)c2ccccc2C1=O
Show InChI InChI=1S/C14H12N2O4/c1-14(7-6-10(17)15-13(14)20)16-11(18)8-4-2-3-5-9(8)12(16)19/h2-5H,6-7H2,1H3,(H,15,17,20)/t14-/m1/s1
PDB

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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 290n/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Inhibitory activity (RA1) of the compound against Prostaglandin G/H synthase 1 was calculated relative to aspirin


Bioorg Med Chem Lett 12: 1043-6 (2002)


Article DOI: 10.1016/s0960-894x(02)00084-7
BindingDB Entry DOI: 10.7270/Q28K78D9
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50111219
PNG
(2-(2-Oxo-piperidin-3-yl)-isoindole-1,3-dione | CHE...)
Show SMILES O=C1N(C2CCCNC2=O)C(=O)c2ccccc12
Show InChI InChI=1S/C13H12N2O3/c16-11-10(6-3-7-14-11)15-12(17)8-4-1-2-5-9(8)13(15)18/h1-2,4-5,10H,3,6-7H2,(H,14,16)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 850n/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Inhibitory activity (RA1) of the compound against Prostaglandin G/H synthase 1 was calculated relative to aspirin


Bioorg Med Chem Lett 12: 1043-6 (2002)


Article DOI: 10.1016/s0960-894x(02)00084-7
BindingDB Entry DOI: 10.7270/Q28K78D9
More data for this
Ligand-Target Pair