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Compile Data Set for Download or QSAR

Found 20 hits with Last Name = 'dolence' and Initial = 'ek'   
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
Adenosylhomocysteinase


(Homo sapiens (Human))
BDBM50367250
PNG
(3-DEAZAARISTEROMYCIN A | CHEMBL268272)
Show SMILES Nc1nccc2n(cnc12)[C@@H]1C[C@H](CO)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C12H16N4O3/c13-12-9-7(1-2-14-12)16(5-15-9)8-3-6(4-17)10(18)11(8)19/h1-2,5-6,8,10-11,17-19H,3-4H2,(H2,13,14)/t6-,8-,10-,11+/m1/s1
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4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against S-adenosyl-homocysteine hydrolase


J Med Chem 28: 471-7 (1985)


BindingDB Entry DOI: 10.7270/Q21C1XF3
More data for this
Ligand-Target Pair
Adenosylhomocysteinase


(Homo sapiens (Human))
BDBM50088426
PNG
((1R,2S,3R,5R)-3-(6-amino-9H-purin-9-yl)-5-(hydroxy...)
Show SMILES Nc1ncnc2n(cnc12)[C@@H]1C[C@H](CO)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C11H15N5O3/c12-10-7-11(14-3-13-10)16(4-15-7)6-1-5(2-17)8(18)9(6)19/h3-6,8-9,17-19H,1-2H2,(H2,12,13,14)/t5-,6-,8-,9+/m1/s1
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110n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against S-adenosyl-homocysteine hydrolase


J Med Chem 28: 471-7 (1985)


BindingDB Entry DOI: 10.7270/Q21C1XF3
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Adenosylhomocysteinase


(Homo sapiens (Human))
BDBM50026329
PNG
(3-(7-Amino-[1,2,3]triazolo[4,5-d]pyrimidin-3-yl)-5...)
Show SMILES Nc1ncnc2n(nnc12)C1CC(CO)C(O)C1O
Show InChI InChI=1S/C10H14N6O3/c11-9-6-10(13-3-12-9)16(15-14-6)5-1-4(2-17)7(18)8(5)19/h3-5,7-8,17-19H,1-2H2,(H2,11,12,13)
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2.20E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against S-adenosyl-homocysteine hydrolase


J Med Chem 28: 471-7 (1985)


BindingDB Entry DOI: 10.7270/Q21C1XF3
More data for this
Ligand-Target Pair
Prostaglandin F2-alpha receptor


(Homo sapiens (Human))
BDBM50020299
PNG
((R-isomer)7-[3,5-Dihydroxy-2-(3-hydroxy-7-phenyl-h...)
Show SMILES O[C@@H](CCCCc1ccccc1)\C=C\C1[C@H](O)C[C@H](O)[C@@H]1C\C=C/CCCC(O)=O
Show InChI InChI=1S/C25H36O5/c26-20(13-9-8-12-19-10-4-3-5-11-19)16-17-22-21(23(27)18-24(22)28)14-6-1-2-7-15-25(29)30/h1,3-6,10-11,16-17,20-24,26-28H,2,7-9,12-15,18H2,(H,29,30)/b6-1-,17-16+/t20-,21+,22?,23-,24+/m0/s1
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n/an/a 32n/an/an/an/an/an/a



University of Kentucky

Curated by ChEMBL


Assay Description
Binding potency towards PGF-2 alpha receptor (competitive binding) with natural [3H]-PGF 2 alpha in ovine luteal cells (OLC)


J Med Chem 32: 256-64 (1989)


BindingDB Entry DOI: 10.7270/Q23F4Q7C
More data for this
Ligand-Target Pair
Prostaglandin F2-alpha receptor


(Homo sapiens (Human))
BDBM50035622
PNG
((5Z,13E,15S)-9alpha,11alpha,15-trihydroxyprosta-5,...)
Show SMILES CCCCC[C@H](O)\C=C\[C@H]1[C@H](O)C[C@H](O)[C@@H]1C\C=C/CCCC(O)=O |r|
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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n/an/a 43n/an/an/an/an/an/a



University of Kentucky

Curated by ChEMBL


Assay Description
Binding potency towards Prostaglandin F2 alpha receptor (competitive binding) with natural [3H]-PGF 2 alpha in ovine luteal cells (OLC)


J Med Chem 32: 256-64 (1989)


BindingDB Entry DOI: 10.7270/Q23F4Q7C
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Prostaglandin F2-alpha receptor


(Homo sapiens (Human))
BDBM50405735
PNG
(CHEMBL2114230)
Show SMILES O[C@H](CCCCc1ccccc1)\C=C\C1[C@H](O)C[C@H](O)[C@@H]1C\C=C/CCCC(O)=O
Show InChI InChI=1S/C25H36O5/c26-20(13-9-8-12-19-10-4-3-5-11-19)16-17-22-21(23(27)18-24(22)28)14-6-1-2-7-15-25(29)30/h1,3-6,10-11,16-17,20-24,26-28H,2,7-9,12-15,18H2,(H,29,30)/b6-1-,17-16+/t20-,21-,22?,23+,24-/m1/s1
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n/an/a 71n/an/an/an/an/an/a



University of Kentucky

Curated by ChEMBL


Assay Description
Binding potency towards PGF-2 alpha receptor (competitive binding) with natural [3H]-PGF 2 alpha in ovine luteal cells (OLC)


J Med Chem 32: 256-64 (1989)


BindingDB Entry DOI: 10.7270/Q23F4Q7C
More data for this
Ligand-Target Pair
Prostaglandin F2-alpha receptor


(BOVINE)
BDBM50035622
PNG
((5Z,13E,15S)-9alpha,11alpha,15-trihydroxyprosta-5,...)
Show SMILES CCCCC[C@H](O)\C=C\[C@H]1[C@H](O)C[C@H](O)[C@@H]1C\C=C/CCCC(O)=O |r|
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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n/an/a 140n/an/an/an/an/an/a



University of Kentucky

Curated by ChEMBL


Assay Description
Binding potency towards Prostaglandin F2 alpha receptor (competitive binding) with natural [3H]-PGF 2 alpha in bovine corpora lutea plasma membranes...


J Med Chem 32: 256-64 (1989)


BindingDB Entry DOI: 10.7270/Q23F4Q7C
More data for this
Ligand-Target Pair
Prostaglandin F2-alpha receptor


(BOVINE)
BDBM50020299
PNG
((R-isomer)7-[3,5-Dihydroxy-2-(3-hydroxy-7-phenyl-h...)
Show SMILES O[C@@H](CCCCc1ccccc1)\C=C\C1[C@H](O)C[C@H](O)[C@@H]1C\C=C/CCCC(O)=O
Show InChI InChI=1S/C25H36O5/c26-20(13-9-8-12-19-10-4-3-5-11-19)16-17-22-21(23(27)18-24(22)28)14-6-1-2-7-15-25(29)30/h1,3-6,10-11,16-17,20-24,26-28H,2,7-9,12-15,18H2,(H,29,30)/b6-1-,17-16+/t20-,21+,22?,23-,24+/m0/s1
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n/an/a 240n/an/an/an/an/an/a



University of Kentucky

Curated by ChEMBL


Assay Description
Binding potency towards PGF-2 alpha receptor (competitive binding) with natural [3H]-PGF 2 alpha in bovine corpora lutea plasma membranes (BCLM)


J Med Chem 32: 256-64 (1989)


BindingDB Entry DOI: 10.7270/Q23F4Q7C
More data for this
Ligand-Target Pair
Prostaglandin F2-alpha receptor


(Homo sapiens (Human))
BDBM50020302
PNG
((S-isomer)7-{2-[5-(4-Azido-phenyl)-3-hydroxy-pent-...)
Show SMILES O[C@@H](CCc1ccc(cc1)N=[N+]=[N-])\C=C\[C@H]1[C@H](O)C[C@H](O)[C@@H]1C\C=C/CCCC(O)=O
Show InChI InChI=1S/C23H31N3O5/c24-26-25-17-10-7-16(8-11-17)9-12-18(27)13-14-20-19(21(28)15-22(20)29)5-3-1-2-4-6-23(30)31/h1,3,7-8,10-11,13-14,18-22,27-29H,2,4-6,9,12,15H2,(H,30,31)/b3-1-,14-13+/t18-,19+,20+,21-,22+/m0/s1
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n/an/a 330n/an/an/an/an/an/a



University of Kentucky

Curated by ChEMBL


Assay Description
Binding potency towards Prostaglandin F2 alpha receptor (competitive binding) with natural [3H]-PGF 2 alpha in ovine luteal cells (OLC)


J Med Chem 32: 256-64 (1989)


BindingDB Entry DOI: 10.7270/Q23F4Q7C
More data for this
Ligand-Target Pair
Prostaglandin F2-alpha receptor


(Homo sapiens (Human))
BDBM50020303
PNG
((R-isomer)7-{2-[5-(4-Azido-3-iodo-phenyl)-3-hydrox...)
Show SMILES O[C@@H](CCc1ccc(N=[N+]=[N-])c(I)c1)\C=C\[C@H]1[C@H](O)C[C@H](O)[C@@H]1C\C=C/CCCC(O)=O
Show InChI InChI=1S/C23H30IN3O5/c24-19-13-15(8-12-20(19)26-27-25)7-9-16(28)10-11-18-17(21(29)14-22(18)30)5-3-1-2-4-6-23(31)32/h1,3,8,10-13,16-18,21-22,28-30H,2,4-7,9,14H2,(H,31,32)/b3-1-,11-10+/t16-,17+,18+,21-,22+/m0/s1
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n/an/a 350n/an/an/an/an/an/a



University of Kentucky

Curated by ChEMBL


Assay Description
Binding potency towards Prostaglandin F2 alpha receptor (competitive binding) with natural [3H]-PGF 2 alpha in ovine luteal cells (OLC)


J Med Chem 32: 256-64 (1989)


BindingDB Entry DOI: 10.7270/Q23F4Q7C
More data for this
Ligand-Target Pair
Prostaglandin F2-alpha receptor


(BOVINE)
BDBM50405735
PNG
(CHEMBL2114230)
Show SMILES O[C@H](CCCCc1ccccc1)\C=C\C1[C@H](O)C[C@H](O)[C@@H]1C\C=C/CCCC(O)=O
Show InChI InChI=1S/C25H36O5/c26-20(13-9-8-12-19-10-4-3-5-11-19)16-17-22-21(23(27)18-24(22)28)14-6-1-2-7-15-25(29)30/h1,3-6,10-11,16-17,20-24,26-28H,2,7-9,12-15,18H2,(H,29,30)/b6-1-,17-16+/t20-,21-,22?,23+,24-/m1/s1
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n/an/a 670n/an/an/an/an/an/a



University of Kentucky

Curated by ChEMBL


Assay Description
Binding potency towards PGF-2 alpha receptor (competitive binding) with natural [3H]-PGF 2 alpha in bovine corpora lutea plasma membranes (BCLM)


J Med Chem 32: 256-64 (1989)


BindingDB Entry DOI: 10.7270/Q23F4Q7C
More data for this
Ligand-Target Pair
Prostaglandin F2-alpha receptor


(BOVINE)
BDBM50020301
PNG
((R-isomer)7-[3,5-Dihydroxy-2-(3-hydroxy-7-phenyl-h...)
Show SMILES COC(=O)CCC\C=C/C[C@H]1[C@@H](O)C[C@@H](O)C1\C=C\[C@@H](O)CCCCc1ccccc1
Show InChI InChI=1S/C26H38O5/c1-31-26(30)16-8-3-2-7-15-22-23(25(29)19-24(22)28)18-17-21(27)14-10-9-13-20-11-5-4-6-12-20/h2,4-7,11-12,17-18,21-25,27-29H,3,8-10,13-16,19H2,1H3/b7-2-,18-17+/t21-,22+,23?,24-,25+/m0/s1
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n/an/a 2.00E+3n/an/an/an/an/an/a



University of Kentucky

Curated by ChEMBL


Assay Description
Binding potency towards PGF-2 alpha receptor (competitive binding) with natural [3H]-PGF 2 alpha in bovine corpora lutea plasma membranes (BCLM)


J Med Chem 32: 256-64 (1989)


BindingDB Entry DOI: 10.7270/Q23F4Q7C
More data for this
Ligand-Target Pair
Prostaglandin F2-alpha receptor


(Homo sapiens (Human))
BDBM50020306
PNG
((S-isomer)7-{2-[5-(4-Azido-2-hydroxy-phenyl)-3-hyd...)
Show SMILES O[C@@H](CCc1ccc(cc1O)N=[N+]=[N-])\C=C\[C@H]1[C@H](O)C[C@H](O)[C@@H]1C\C=C/CCCC(O)=O
Show InChI InChI=1S/C23H31N3O6/c24-26-25-16-9-7-15(20(28)13-16)8-10-17(27)11-12-19-18(21(29)14-22(19)30)5-3-1-2-4-6-23(31)32/h1,3,7,9,11-13,17-19,21-22,27-30H,2,4-6,8,10,14H2,(H,31,32)/b3-1-,12-11+/t17-,18+,19+,21-,22+/m0/s1
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n/an/a 6.10E+3n/an/an/an/an/an/a



University of Kentucky

Curated by ChEMBL


Assay Description
Binding potency towards Prostaglandin F2 alpha receptor (competitive binding) with natural [3H]-PGF 2 alpha in ovine luteal cells (OLC)


J Med Chem 32: 256-64 (1989)


BindingDB Entry DOI: 10.7270/Q23F4Q7C
More data for this
Ligand-Target Pair
Prostaglandin F2-alpha receptor


(BOVINE)
BDBM50020303
PNG
((R-isomer)7-{2-[5-(4-Azido-3-iodo-phenyl)-3-hydrox...)
Show SMILES O[C@@H](CCc1ccc(N=[N+]=[N-])c(I)c1)\C=C\[C@H]1[C@H](O)C[C@H](O)[C@@H]1C\C=C/CCCC(O)=O
Show InChI InChI=1S/C23H30IN3O5/c24-19-13-15(8-12-20(19)26-27-25)7-9-16(28)10-11-18-17(21(29)14-22(18)30)5-3-1-2-4-6-23(31)32/h1,3,8,10-13,16-18,21-22,28-30H,2,4-7,9,14H2,(H,31,32)/b3-1-,11-10+/t16-,17+,18+,21-,22+/m0/s1
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n/an/a 7.00E+3n/an/an/an/an/an/a



University of Kentucky

Curated by ChEMBL


Assay Description
Binding potency towards Prostaglandin F2 alpha receptor (competitive binding) with natural [3H]-PGF 2 alpha in bovine corpora lutea plasma membranes...


J Med Chem 32: 256-64 (1989)


BindingDB Entry DOI: 10.7270/Q23F4Q7C
More data for this
Ligand-Target Pair
Prostaglandin F2-alpha receptor


(BOVINE)
BDBM50020302
PNG
((S-isomer)7-{2-[5-(4-Azido-phenyl)-3-hydroxy-pent-...)
Show SMILES O[C@@H](CCc1ccc(cc1)N=[N+]=[N-])\C=C\[C@H]1[C@H](O)C[C@H](O)[C@@H]1C\C=C/CCCC(O)=O
Show InChI InChI=1S/C23H31N3O5/c24-26-25-17-10-7-16(8-11-17)9-12-18(27)13-14-20-19(21(28)15-22(20)29)5-3-1-2-4-6-23(30)31/h1,3,7-8,10-11,13-14,18-22,27-29H,2,4-6,9,12,15H2,(H,30,31)/b3-1-,14-13+/t18-,19+,20+,21-,22+/m0/s1
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n/an/a 7.00E+3n/an/an/an/an/an/a



University of Kentucky

Curated by ChEMBL


Assay Description
Binding potency towards Prostaglandin F2 alpha receptor (competitive binding) with natural [3H]-PGF 2 alpha in bovine corpora lutea plasma membranes...


J Med Chem 32: 256-64 (1989)


BindingDB Entry DOI: 10.7270/Q23F4Q7C
More data for this
Ligand-Target Pair
Prostaglandin F2-alpha receptor


(Homo sapiens (Human))
BDBM50020305
PNG
((R-isomer)7-{2-[4-(3-Azido-5-hydroxy-phenoxy)-3-hy...)
Show SMILES O[C@@H](COc1cc(O)cc(c1)N=[N+]=[N-])\C=C\[C@H]1[C@H](O)C[C@H](O)[C@@H]1C\C=C/CCCC(O)=O
Show InChI InChI=1S/C22H29N3O7/c23-25-24-14-9-16(27)11-17(10-14)32-13-15(26)7-8-19-18(20(28)12-21(19)29)5-3-1-2-4-6-22(30)31/h1,3,7-11,15,18-21,26-29H,2,4-6,12-13H2,(H,30,31)/b3-1-,8-7+/t15-,18-,19-,20+,21-/m1/s1
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n/an/a 1.10E+4n/an/an/an/an/an/a



University of Kentucky

Curated by ChEMBL


Assay Description
Binding potency towards Prostaglandin F2 alpha receptor (competitive binding) with natural [3H]-PGF 2 alpha in ovine luteal cells (OLC)


J Med Chem 32: 256-64 (1989)


BindingDB Entry DOI: 10.7270/Q23F4Q7C
More data for this
Ligand-Target Pair
Prostaglandin F2-alpha receptor


(BOVINE)
BDBM50405737
PNG
(CHEMBL2114229)
Show SMILES COC(=O)CCC\C=C/C[C@H]1[C@@H](O)C[C@@H](O)C1\C=C\[C@H](O)CCCCc1ccccc1
Show InChI InChI=1S/C26H38O5/c1-31-26(30)16-8-3-2-7-15-22-23(25(29)19-24(22)28)18-17-21(27)14-10-9-13-20-11-5-4-6-12-20/h2,4-7,11-12,17-18,21-25,27-29H,3,8-10,13-16,19H2,1H3/b7-2-,18-17+/t21-,22-,23?,24+,25-/m1/s1
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n/an/a 5.00E+4n/an/an/an/an/an/a



University of Kentucky

Curated by ChEMBL


Assay Description
Binding potency towards PGF-2 alpha receptor (competitive binding) with natural [3H]-PGF 2 alpha in bovine corpora lutea plasma membranes (BCLM)


J Med Chem 32: 256-64 (1989)


BindingDB Entry DOI: 10.7270/Q23F4Q7C
More data for this
Ligand-Target Pair
Prostaglandin F2-alpha receptor


(BOVINE)
BDBM50405736
PNG
(CHEMBL2114224)
Show SMILES O[C@H](CCc1ccc(N=[N+]=[N-])c(I)c1)\C=C\[C@H]1[C@H](O)C[C@H](O)[C@@H]1C\C=C/CCCC(O)=O
Show InChI InChI=1S/C23H30IN3O5/c24-19-13-15(8-12-20(19)26-27-25)7-9-16(28)10-11-18-17(21(29)14-22(18)30)5-3-1-2-4-6-23(31)32/h1,3,8,10-13,16-18,21-22,28-30H,2,4-7,9,14H2,(H,31,32)/b3-1-,11-10+/t16-,17-,18-,21+,22-/m1/s1
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n/an/a 6.80E+4n/an/an/an/an/an/a



University of Kentucky

Curated by ChEMBL


Assay Description
Binding potency towards Prostaglandin F2 alpha receptor (competitive binding) with natural [3H]-PGF 2 alpha in bovine corpora lutea plasma membranes...


J Med Chem 32: 256-64 (1989)


BindingDB Entry DOI: 10.7270/Q23F4Q7C
More data for this
Ligand-Target Pair
Prostaglandin F2-alpha receptor


(BOVINE)
BDBM50020304
PNG
((R-isomer)7-{2-[4-(4-Azido-2-hydroxy-phenoxy)-3-hy...)
Show SMILES O[C@@H](COc1ccc(cc1O)N=[N+]=[N-])\C=C\[C@H]1[C@H](O)C[C@H](O)[C@@H]1C\C=C/CCCC(O)=O
Show InChI InChI=1S/C22H29N3O7/c23-25-24-14-7-10-21(20(29)11-14)32-13-15(26)8-9-17-16(18(27)12-19(17)28)5-3-1-2-4-6-22(30)31/h1,3,7-11,15-19,26-29H,2,4-6,12-13H2,(H,30,31)/b3-1-,9-8+/t15-,16-,17-,18+,19-/m1/s1
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KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 1.20E+5n/an/an/an/an/an/a



University of Kentucky

Curated by ChEMBL


Assay Description
Binding potency towards Prostaglandin F2 alpha receptor (competitive binding) with natural [3H]-PGF 2 alpha in bovine corpora lutea plasma membranes...


J Med Chem 32: 256-64 (1989)


BindingDB Entry DOI: 10.7270/Q23F4Q7C
More data for this
Ligand-Target Pair
Prostaglandin F2-alpha receptor


(BOVINE)
BDBM50020306
PNG
((S-isomer)7-{2-[5-(4-Azido-2-hydroxy-phenyl)-3-hyd...)
Show SMILES O[C@@H](CCc1ccc(cc1O)N=[N+]=[N-])\C=C\[C@H]1[C@H](O)C[C@H](O)[C@@H]1C\C=C/CCCC(O)=O
Show InChI InChI=1S/C23H31N3O6/c24-26-25-16-9-7-15(20(28)13-16)8-10-17(27)11-12-19-18(21(29)14-22(19)30)5-3-1-2-4-6-23(31)32/h1,3,7,9,11-13,17-19,21-22,27-30H,2,4-6,8,10,14H2,(H,31,32)/b3-1-,12-11+/t17-,18+,19+,21-,22+/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 2.20E+5n/an/an/an/an/an/a



University of Kentucky

Curated by ChEMBL


Assay Description
Binding potency towards Prostaglandin F2 alpha receptor (competitive binding) with natural [3H]-PGF 2 alpha in bovine corpora lutea plasma membranes...


J Med Chem 32: 256-64 (1989)


BindingDB Entry DOI: 10.7270/Q23F4Q7C
More data for this
Ligand-Target Pair