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Compile Data Set for Download or QSAR

Found 11 hits Enz. Inhib. hit(s) with Target = 'PTGDR' AND taxid = 10116   
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
PTGDR


(RAT)
BDBM82213
PNG
(CAS_41598-07-6 | NSC_114678 | PGD2)
Show SMILES CCCCCC(O)CC=C1C(CC=CCCCC(O)=O)C=CC1=O
Show InChI InChI=1S/C20H30O4/c1-2-3-6-10-17(21)13-14-18-16(12-15-19(18)22)9-7-4-5-8-11-20(23)24/h4,7,12,14-17,21H,2-3,5-6,8-11,13H2,1H3,(H,23,24)
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19n/an/an/an/an/an/an/an/a



Kyoto University

Curated by PDSP Ki Database




J Biol Chem 257: 13570-5 (1982)

More data for this
Ligand-Target Pair
PTGDR


(RAT)
BDBM82214
PNG
(CAS_114676 | NSC_114676 | PGD2-methyl ester)
Show SMILES CCCCCC(O)C=CC1C(CC=CCCCC(=O)OC)C(O)CC1=O
Show InChI InChI=1S/C21H34O5/c1-3-4-7-10-16(22)13-14-18-17(19(23)15-20(18)24)11-8-5-6-9-12-21(25)26-2/h5,8,13-14,16-19,22-23H,3-4,6-7,9-12,15H2,1-2H3
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27n/an/an/an/an/an/an/an/a



Kyoto University

Curated by PDSP Ki Database




J Biol Chem 257: 13570-5 (1982)

More data for this
Ligand-Target Pair
PTGDR


(RAT)
BDBM82209
PNG
(CAS_205449 | NSC_205449 | PGD1)
Show SMILES CCCCCC(O)C=CC1C(CCCCCCC(O)=O)C(O)CC1=O
Show InChI InChI=1S/C20H34O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h12-13,15-18,21-22H,2-11,14H2,1H3,(H,24,25)
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523n/an/an/an/an/an/an/an/a



Kyoto University

Curated by PDSP Ki Database




J Biol Chem 257: 13570-5 (1982)

More data for this
Ligand-Target Pair
PTGDR


(RAT)
BDBM50020300
PNG
((S-isomer)7-[3,5-Dihydroxy-2-(3-hydroxy-oct-1-enyl...)
Show SMILES CCCCC[C@H](O)\C=C\C1[C@H](O)C[C@H](O)[C@@H]1C\C=C/CCCC(O)=O
Show InChI InChI=1S/C20H34O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h4,7,12-13,15-19,21-23H,2-3,5-6,8-11,14H2,1H3,(H,24,25)/b7-4-,13-12+/t15-,16+,17?,18-,19+/m0/s1
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693n/an/an/an/an/an/an/an/a



Kyoto University

Curated by PDSP Ki Database




J Biol Chem 257: 13570-5 (1982)

More data for this
Ligand-Target Pair
PTGDR


(RAT)
BDBM35847
PNG
((15S)-prostaglandin E2 | (5Z,11alpha,13E,15S)-11,1...)
Show SMILES CCCCC[C@H](O)\C=C\[C@H]1[C@H](O)CC(=O)[C@@H]1C\C=C/CCCC(O)=O
Show InChI InChI=1S/C20H32O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h4,7,12-13,15-17,19,21,23H,2-3,5-6,8-11,14H2,1H3,(H,24,25)/b7-4-,13-12+/t15-,16+,17+,19+/m0/s1
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PubMed
2.95E+3n/an/an/an/an/an/an/an/a



Kyoto University

Curated by PDSP Ki Database




J Biol Chem 257: 13570-5 (1982)

More data for this
Ligand-Target Pair
PTGDR


(RAT)
BDBM82215
PNG
(CAS_35121-78-9 | NSC_5282411 | PGI2)
Show SMILES CCCCCC(O)C=CC1C(O)CC2OC(CC12)=CCCCC(O)=O
Show InChI InChI=1S/C20H32O5/c1-2-3-4-7-14(21)10-11-16-17-12-15(8-5-6-9-20(23)24)25-19(17)13-18(16)22/h8,10-11,14,16-19,21-22H,2-7,9,12-13H2,1H3,(H,23,24)
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3.54E+3n/an/an/an/an/an/an/an/a



Kyoto University

Curated by PDSP Ki Database




J Biol Chem 257: 13570-5 (1982)

More data for this
Ligand-Target Pair
PTGDR


(RAT)
BDBM50101828
PNG
(7-[(1R,2R,3R)-3-Hydroxy-2-((E)-(R)-3-hydroxy-oct-1...)
Show SMILES CCCCC[C@@H](O)\C=C\[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(O)=O
Show InChI InChI=1S/C20H34O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h12-13,15-17,19,21,23H,2-11,14H2,1H3,(H,24,25)/b13-12+/t15-,16-,17-,19-/m1/s1
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3.76E+3n/an/an/an/an/an/an/an/a



Kyoto University

Curated by PDSP Ki Database




J Biol Chem 257: 13570-5 (1982)

More data for this
Ligand-Target Pair
PTGDR


(RAT)
BDBM82210
PNG
(CAS_54397-85-2 | PG Thromboxane B2 | THROMBOXANE B...)
Show SMILES CCCCC[C@H](O)\C=C\[C@H]1OC(O)C[C@H](O)[C@@H]1C\C=C/CCCC(O)=O
Show InChI InChI=1S/C20H34O6/c1-2-3-6-9-15(21)12-13-18-16(17(22)14-20(25)26-18)10-7-4-5-8-11-19(23)24/h4,7,12-13,15-18,20-22,25H,2-3,5-6,8-11,14H2,1H3,(H,23,24)/b7-4-,13-12+/t15-,16-,17-,18+,20?/m0/s1
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4.20E+3n/an/an/an/an/an/an/an/a



Kyoto University

Curated by PDSP Ki Database




J Biol Chem 257: 13570-5 (1982)

More data for this
Ligand-Target Pair
PTGDR


(RAT)
BDBM34230
PNG
((Z)-7-[(1R,2S)-2-[(E,3S)-3-hydroxyoct-1-enyl]-5-ke...)
Show SMILES CCCCC[C@H](O)C=C[C@H]1C=CC(=O)[C@@H]1C\C=C/CCCC(O)=O
Show InChI InChI=1S/C20H30O4/c1-2-3-6-9-17(21)14-12-16-13-15-19(22)18(16)10-7-4-5-8-11-20(23)24/h4,7,12-18,21H,2-3,5-6,8-11H2,1H3,(H,23,24)/b7-4-,14-12?/t16-,17-,18+/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Kyoto University

Curated by PDSP Ki Database




J Biol Chem 257: 13570-5 (1982)

More data for this
Ligand-Target Pair
PTGDR


(RAT)
BDBM82211
PNG
(6-KETO-PROSTAGLANDIN F1ALPHA | CAS_58962-34-8 | PG...)
Show SMILES CCCCC[C@H](O)\C=C\[C@H]1[C@H](O)C[C@H](O)[C@@H]1CC(=O)CCCCC(O)=O
Show InChI InChI=1S/C20H34O6/c1-2-3-4-7-14(21)10-11-16-17(19(24)13-18(16)23)12-15(22)8-5-6-9-20(25)26/h10-11,14,16-19,21,23-24H,2-9,12-13H2,1H3,(H,25,26)/b11-10+/t14-,16+,17+,18+,19-/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Kyoto University

Curated by PDSP Ki Database




J Biol Chem 257: 13570-5 (1982)

More data for this
Ligand-Target Pair
PTGDR


(RAT)
BDBM82212
PNG
(CAS_5280881 | NSC_5280881 | PGB2)
Show SMILES CCCCCC(O)C=CC1=C(CC=CCCCC(O)=O)C(=O)CC1
Show InChI InChI=1S/C20H30O4/c1-2-3-6-9-17(21)14-12-16-13-15-19(22)18(16)10-7-4-5-8-11-20(23)24/h4,7,12,14,17,21H,2-3,5-6,8-11,13,15H2,1H3,(H,23,24)
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>1.00E+4n/an/an/an/an/an/an/an/a



Kyoto University

Curated by PDSP Ki Database




J Biol Chem 257: 13570-5 (1982)

More data for this
Ligand-Target Pair