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Compile Data Set for Download or QSAR

Found 7 hits from Department of Pharmaceutical Chemistry of Aristotle University of Thessaloniki   
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)


(Ovis aries (Sheep))
BDBM50424418
PNG
(CHEMBL2315740)
Show SMILES Clc1cccc(\C=C2/S\C(NC2=O)=N\c2nccs2)c1Cl
Show InChI InChI=1S/C13H7Cl2N3OS2/c14-8-3-1-2-7(10(8)15)6-9-11(19)17-13(21-9)18-12-16-4-5-20-12/h1-6H,(H,16,17,18,19)/b9-6-
PDB

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UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.00E+4n/an/an/an/an/an/a



Department of Pharmaceutical Chemistry of Aristotle University of Thessaloniki

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 assessed as inhibition of PGF2a production by enzyme immunoassay


Bioorg Med Chem 21: 532-9 (2012)


Article DOI: 10.1016/j.bmc.2012.10.046
BindingDB Entry DOI: 10.7270/Q2H41SRD
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50424416
PNG
(CHEMBL2315746)
Show SMILES Oc1cccc(\C=C2/S\C(NC2=O)=N\c2nccs2)c1
Show InChI InChI=1S/C13H9N3O2S2/c17-9-3-1-2-8(6-9)7-10-11(18)15-13(20-10)16-12-14-4-5-19-12/h1-7,17H,(H,14,15,16,18)/b10-7-
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.60E+4n/an/an/an/an/an/a



Department of Pharmaceutical Chemistry of Aristotle University of Thessaloniki

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 assessed as inhibition of PGF2a production by enzyme immunoassay


Bioorg Med Chem 21: 532-9 (2012)


Article DOI: 10.1016/j.bmc.2012.10.046
BindingDB Entry DOI: 10.7270/Q2H41SRD
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50424419
PNG
(CHEMBL2315739)
Show SMILES Clc1ccc(\C=C2/S\C(NC2=O)=N\c2nccs2)c(Cl)c1
Show InChI InChI=1S/C13H7Cl2N3OS2/c14-8-2-1-7(9(15)6-8)5-10-11(19)17-13(21-10)18-12-16-3-4-20-12/h1-6H,(H,16,17,18,19)/b10-5-
PDB

KEGG

UniProtKB/SwissProt

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GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.20E+4n/an/an/an/an/an/a



Department of Pharmaceutical Chemistry of Aristotle University of Thessaloniki

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 assessed as inhibition of PGF2a production by enzyme immunoassay


Bioorg Med Chem 21: 532-9 (2012)


Article DOI: 10.1016/j.bmc.2012.10.046
BindingDB Entry DOI: 10.7270/Q2H41SRD
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50339185
PNG
((2S)-2-(6-methoxynaphthalen-2-yl)propanoic acid | ...)
Show SMILES COc1ccc2cc(ccc2c1)[C@H](C)C(O)=O
Show InChI InChI=1S/C14H14O3/c1-9(14(15)16)10-3-4-12-8-13(17-2)6-5-11(12)7-10/h3-9H,1-2H3,(H,15,16)/t9-/m0/s1
PDB

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UniProtKB/SwissProt

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CHEMBL
DrugBank
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
n/an/a 4.90E+4n/an/an/an/an/an/a



Department of Pharmaceutical Chemistry of Aristotle University of Thessaloniki

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 assessed as inhibition of PGF2a production by enzyme immunoassay


Bioorg Med Chem 21: 532-9 (2012)


Article DOI: 10.1016/j.bmc.2012.10.046
BindingDB Entry DOI: 10.7270/Q2H41SRD
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50424421
PNG
(CHEMBL2315732)
Show SMILES Cc1ccc(\C=C2/S\C(NC2=O)=N\c2nccs2)cc1
Show InChI InChI=1S/C14H11N3OS2/c1-9-2-4-10(5-3-9)8-11-12(18)16-14(20-11)17-13-15-6-7-19-13/h2-8H,1H3,(H,15,16,17,18)/b11-8-
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 5.10E+4n/an/an/an/an/an/a



Department of Pharmaceutical Chemistry of Aristotle University of Thessaloniki

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 assessed as inhibition of PGF2a production by enzyme immunoassay


Bioorg Med Chem 21: 532-9 (2012)


Article DOI: 10.1016/j.bmc.2012.10.046
BindingDB Entry DOI: 10.7270/Q2H41SRD
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50424417
PNG
(CHEMBL2315729)
Show SMILES Oc1ccc(Br)cc1\C=C1/S\C(NC1=O)=N\c1nccs1
Show InChI InChI=1S/C13H8BrN3O2S2/c14-8-1-2-9(18)7(5-8)6-10-11(19)16-13(21-10)17-12-15-3-4-20-12/h1-6,18H,(H,15,16,17,19)/b10-6-
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 6.50E+4n/an/an/an/an/an/a



Department of Pharmaceutical Chemistry of Aristotle University of Thessaloniki

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 assessed as inhibition of PGF2a production by enzyme immunoassay


Bioorg Med Chem 21: 532-9 (2012)


Article DOI: 10.1016/j.bmc.2012.10.046
BindingDB Entry DOI: 10.7270/Q2H41SRD
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50424420
PNG
(CHEMBL2315738)
Show SMILES Clc1cccc(Cl)c1\C=C1/S\C(NC1=O)=N\c1nccs1
Show InChI InChI=1S/C13H7Cl2N3OS2/c14-8-2-1-3-9(15)7(8)6-10-11(19)17-13(21-10)18-12-16-4-5-20-12/h1-6H,(H,16,17,18,19)/b10-6-
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 7.80E+4n/an/an/an/an/an/a



Department of Pharmaceutical Chemistry of Aristotle University of Thessaloniki

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 assessed as inhibition of PGF2a production by enzyme immunoassay


Bioorg Med Chem 21: 532-9 (2012)


Article DOI: 10.1016/j.bmc.2012.10.046
BindingDB Entry DOI: 10.7270/Q2H41SRD
More data for this
Ligand-Target Pair