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Compile Data Set for Download or QSAR

Found 5 hits Enz. Inhib. hit(s) with Target = 'Prostaglandin D2 synthase' AND taxid = 9913   
Target
(Institution)
LigandTarget
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
Prostaglandin D2 synthase


(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
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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)

More data for this
Ligand-Target Pair
Prostaglandin D2 synthase


(Bos taurus)
BDBM50281622
PNG
(2-(4-fluorophenyl)-6-(4-methylphenylsulfanyl)-1-he...)
Show SMILES Cc1ccc(SCCCCC(CN)c2ccc(F)cc2)cc1
Show InChI InChI=1S/C19H24FNS/c1-15-5-11-19(12-6-15)22-13-3-2-4-17(14-21)16-7-9-18(20)10-8-16/h5-12,17H,2-4,13-14,21H2,1H3
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Article
n/an/a 2.80E+5n/an/an/an/an/an/a


TBA

Assay Description
Compound was tested for its ability to inhibit bovine seminal vesicle prostaglandin synthetase


Citation and Details
More data for this
Ligand-Target Pair
Prostaglandin D2 synthase


(Bos taurus)
BDBM50405183
PNG
(CHEMBL290391)
Show SMILES CCCCC[C@H](O)\C=C\[C@@H]1C2CCC(O2)[C@H]1C\C=C/CCCC(O)=O
Show InChI InChI=1S/C21H34O4/c1-2-3-6-9-16(22)12-13-18-17(19-14-15-20(18)25-19)10-7-4-5-8-11-21(23)24/h4,7,12-13,16-20,22H,2-3,5-6,8-11,14-15H2,1H3,(H,23,24)/b7-4-,13-12+/t16-,17-,18-,19?,20?/m0/s1
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n/an/a>1.00E+6n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against sheep seminal vesicle prostaglandin synthetase


J Med Chem 28: 1580-90 (1985)

More data for this
Ligand-Target Pair
Prostaglandin D2 synthase


(Bos taurus)
BDBM50405182
PNG
(CHEMBL41435)
Show SMILES CCCCC[C@H](O)\C=C\[C@@H]1C2CCC(O2)[C@@H]1C\C=C/CCCC(O)=O
Show InChI InChI=1S/C21H34O4/c1-2-3-6-9-16(22)12-13-18-17(19-14-15-20(18)25-19)10-7-4-5-8-11-21(23)24/h4,7,12-13,16-20,22H,2-3,5-6,8-11,14-15H2,1H3,(H,23,24)/b7-4-,13-12+/t16-,17+,18-,19?,20?/m0/s1
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n/an/a>1.00E+6n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against sheep seminal vesicle prostaglandin synthetase


J Med Chem 28: 1580-90 (1985)

More data for this
Ligand-Target Pair
Prostaglandin D2 synthase


(Bos taurus)
BDBM50405184
PNG
(CHEMBL288251)
Show SMILES CCCCC[C@@H](O)\C=C\[C@H]1C2CCC(O2)[C@@H]1C\C=C/CCCC(O)=O
Show InChI InChI=1S/C21H34O4/c1-2-3-6-9-16(22)12-13-18-17(19-14-15-20(18)25-19)10-7-4-5-8-11-21(23)24/h4,7,12-13,16-20,22H,2-3,5-6,8-11,14-15H2,1H3,(H,23,24)/b7-4-,13-12+/t16-,17-,18-,19?,20?/m1/s1
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PubMed
n/an/a>1.00E+6n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against sheep seminal vesicle prostaglandin synthetase


J Med Chem 28: 1580-90 (1985)

More data for this
Ligand-Target Pair