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PubMed code 8151626

Compile data set for download or QSAR
Found 4 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Polyunsaturated fatty acid 5-lipoxygenase


(Rattus norvegicus)
BDBM50031087
PNG
(3-(4-Fluoro-phenyl)-2-(4-methanesulfonyl-phenyl)-5...)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1[nH]c(SC#N)cc1-c1ccc(F)cc1
Show InChI InChI=1S/C18H13FN2O2S2/c1-25(22,23)15-8-4-13(5-9-15)18-16(10-17(21-18)24-11-20)12-2-6-14(19)7-3-12/h2-10,21H,1H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 80n/an/an/an/an/an/a



Du Pont Merck Pharmaceutical Company

Curated by ChEMBL


Assay Description
Inhibitory activity against rat basophilic leukemia 5-lipoxygenase


J Med Chem 37: 988-98 (1994)


BindingDB Entry DOI: 10.7270/Q2BP01WP
More data for this
Ligand-Target Pair
Phospholipase A2, major isoenzyme


(Sus scrofa (pig))
BDBM50031087
PNG
(3-(4-Fluoro-phenyl)-2-(4-methanesulfonyl-phenyl)-5...)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1[nH]c(SC#N)cc1-c1ccc(F)cc1
Show InChI InChI=1S/C18H13FN2O2S2/c1-25(22,23)15-8-4-13(5-9-15)18-16(10-17(21-18)24-11-20)12-2-6-14(19)7-3-12/h2-10,21H,1H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 1.10E+3n/an/an/an/an/an/a



Du Pont Merck Pharmaceutical Company

Curated by ChEMBL


Assay Description
Inhibitory activity rat polymorphonuclear leukocyte phospholipase-A2 (PMN-PLA2)


J Med Chem 37: 988-98 (1994)


BindingDB Entry DOI: 10.7270/Q2BP01WP
More data for this
Ligand-Target Pair
Prostaglandin-H2 D-isomerase


(Bos taurus)
BDBM50031087
PNG
(3-(4-Fluoro-phenyl)-2-(4-methanesulfonyl-phenyl)-5...)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1[nH]c(SC#N)cc1-c1ccc(F)cc1
Show InChI InChI=1S/C18H13FN2O2S2/c1-25(22,23)15-8-4-13(5-9-15)18-16(10-17(21-18)24-11-20)12-2-6-14(19)7-3-12/h2-10,21H,1H3
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 6.20E+3n/an/an/an/an/an/a



Du Pont Merck Pharmaceutical Company

Curated by ChEMBL


Assay Description
Inhibitory activity against bovine seminal vesicle prostaglandin synthetase


J Med Chem 37: 988-98 (1994)


BindingDB Entry DOI: 10.7270/Q2BP01WP
More data for this
Ligand-Target Pair
Phospholipase A2, major isoenzyme


(Sus scrofa (pig))
BDBM50031087
PNG
(3-(4-Fluoro-phenyl)-2-(4-methanesulfonyl-phenyl)-5...)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1[nH]c(SC#N)cc1-c1ccc(F)cc1
Show InChI InChI=1S/C18H13FN2O2S2/c1-25(22,23)15-8-4-13(5-9-15)18-16(10-17(21-18)24-11-20)12-2-6-14(19)7-3-12/h2-10,21H,1H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a>2.50E+4n/an/an/an/an/an/a



Du Pont Merck Pharmaceutical Company

Curated by ChEMBL


Assay Description
Inhibitory activity porcine pancreatic phospholipase-A2


J Med Chem 37: 988-98 (1994)


BindingDB Entry DOI: 10.7270/Q2BP01WP
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%