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BDBM50106548 CHEMBL440164::{6-[3,5-Dihydroxy-2-(3-hydroxy-4-phenoxy-but-1-enyl)-cyclopentyl]-hex-4-enyl}-methyl-phosphinic acid

SMILES: CP(O)(=O)CCCC=CC[C@H]1[C@@H](O)C[C@@H](O)[C@@H]1\C=C\[C@@H](O)COc1ccccc1

InChI Key: InChIKey=RXTAVSNCEWWPED-BXZMMUGYSA-N

Data: 8 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 8 hits for monomerid = 50106548   
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
Prostanoid IP receptor


(Homo sapiens (Human))
BDBM50106548
PNG
(CHEMBL440164 | {6-[3,5-Dihydroxy-2-(3-hydroxy-4-ph...)
Show SMILES CP(O)(=O)CCCC=CC[C@H]1[C@@H](O)C[C@@H](O)[C@@H]1\C=C\[C@@H](O)COc1ccccc1 |w:7.6|
Show InChI InChI=1S/C22H33O6P/c1-29(26,27)14-8-3-2-7-11-19-20(22(25)15-21(19)24)13-12-17(23)16-28-18-9-5-4-6-10-18/h2,4-7,9-10,12-13,17,19-25H,3,8,11,14-16H2,1H3,(H,26,27)/b7-2?,13-12+/t17-,19-,20-,21+,22-/m1/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Procter & Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro binding of the compound at prostanoid IP receptor using [3H]-Iloprost as radioligand


J Med Chem 44: 4157-69 (2001)


BindingDB Entry DOI: 10.7270/Q2HT2NNP
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP2 subtype


(Homo sapiens (Human))
BDBM50106548
PNG
(CHEMBL440164 | {6-[3,5-Dihydroxy-2-(3-hydroxy-4-ph...)
Show SMILES CP(O)(=O)CCCC=CC[C@H]1[C@@H](O)C[C@@H](O)[C@@H]1\C=C\[C@@H](O)COc1ccccc1 |w:7.6|
Show InChI InChI=1S/C22H33O6P/c1-29(26,27)14-8-3-2-7-11-19-20(22(25)15-21(19)24)13-12-17(23)16-28-18-9-5-4-6-10-18/h2,4-7,9-10,12-13,17,19-25H,3,8,11,14-16H2,1H3,(H,26,27)/b7-2?,13-12+/t17-,19-,20-,21+,22-/m1/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Procter & Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro binding of the compound at EP2 human prostaglandin receptor


J Med Chem 44: 4157-69 (2001)


BindingDB Entry DOI: 10.7270/Q2HT2NNP
More data for this
Ligand-Target Pair
Prostanoid DP receptor


(Homo sapiens (Human))
BDBM50106548
PNG
(CHEMBL440164 | {6-[3,5-Dihydroxy-2-(3-hydroxy-4-ph...)
Show SMILES CP(O)(=O)CCCC=CC[C@H]1[C@@H](O)C[C@@H](O)[C@@H]1\C=C\[C@@H](O)COc1ccccc1 |w:7.6|
Show InChI InChI=1S/C22H33O6P/c1-29(26,27)14-8-3-2-7-11-19-20(22(25)15-21(19)24)13-12-17(23)16-28-18-9-5-4-6-10-18/h2,4-7,9-10,12-13,17,19-25H,3,8,11,14-16H2,1H3,(H,26,27)/b7-2?,13-12+/t17-,19-,20-,21+,22-/m1/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Procter & Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro binding of the compound at DP human prostaglandin receptor using [3H]- PGD-2 as radioligand


J Med Chem 44: 4157-69 (2001)


BindingDB Entry DOI: 10.7270/Q2HT2NNP
More data for this
Ligand-Target Pair
Prostaglandin F2-alpha receptor


(Homo sapiens (Human))
BDBM50106548
PNG
(CHEMBL440164 | {6-[3,5-Dihydroxy-2-(3-hydroxy-4-ph...)
Show SMILES CP(O)(=O)CCCC=CC[C@H]1[C@@H](O)C[C@@H](O)[C@@H]1\C=C\[C@@H](O)COc1ccccc1 |w:7.6|
Show InChI InChI=1S/C22H33O6P/c1-29(26,27)14-8-3-2-7-11-19-20(22(25)15-21(19)24)13-12-17(23)16-28-18-9-5-4-6-10-18/h2,4-7,9-10,12-13,17,19-25H,3,8,11,14-16H2,1H3,(H,26,27)/b7-2?,13-12+/t17-,19-,20-,21+,22-/m1/s1
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n/an/a 42n/an/an/an/an/an/a



Procter & Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro binding of the compound at FP human prostaglandin receptor using [3H]-PGF-2 alpha as radioligand


J Med Chem 44: 4157-69 (2001)


BindingDB Entry DOI: 10.7270/Q2HT2NNP
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP1 subtype (EP1)


(Homo sapiens (Human))
BDBM50106548
PNG
(CHEMBL440164 | {6-[3,5-Dihydroxy-2-(3-hydroxy-4-ph...)
Show SMILES CP(O)(=O)CCCC=CC[C@H]1[C@@H](O)C[C@@H](O)[C@@H]1\C=C\[C@@H](O)COc1ccccc1 |w:7.6|
Show InChI InChI=1S/C22H33O6P/c1-29(26,27)14-8-3-2-7-11-19-20(22(25)15-21(19)24)13-12-17(23)16-28-18-9-5-4-6-10-18/h2,4-7,9-10,12-13,17,19-25H,3,8,11,14-16H2,1H3,(H,26,27)/b7-2?,13-12+/t17-,19-,20-,21+,22-/m1/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Procter & Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro binding of the compound at EP1 human prostaglandin receptor using [3H]-PGE-2 as radioligand


J Med Chem 44: 4157-69 (2001)


BindingDB Entry DOI: 10.7270/Q2HT2NNP
More data for this
Ligand-Target Pair
Prostanoid TP receptor


(Homo sapiens (Human))
BDBM50106548
PNG
(CHEMBL440164 | {6-[3,5-Dihydroxy-2-(3-hydroxy-4-ph...)
Show SMILES CP(O)(=O)CCCC=CC[C@H]1[C@@H](O)C[C@@H](O)[C@@H]1\C=C\[C@@H](O)COc1ccccc1 |w:7.6|
Show InChI InChI=1S/C22H33O6P/c1-29(26,27)14-8-3-2-7-11-19-20(22(25)15-21(19)24)13-12-17(23)16-28-18-9-5-4-6-10-18/h2,4-7,9-10,12-13,17,19-25H,3,8,11,14-16H2,1H3,(H,26,27)/b7-2?,13-12+/t17-,19-,20-,21+,22-/m1/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Procter & Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro binding of the compound at TP human prostaglandin receptor using [3H]-SQ-29,548 as radioligand


J Med Chem 44: 4157-69 (2001)


BindingDB Entry DOI: 10.7270/Q2HT2NNP
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype


(Homo sapiens (Human))
BDBM50106548
PNG
(CHEMBL440164 | {6-[3,5-Dihydroxy-2-(3-hydroxy-4-ph...)
Show SMILES CP(O)(=O)CCCC=CC[C@H]1[C@@H](O)C[C@@H](O)[C@@H]1\C=C\[C@@H](O)COc1ccccc1 |w:7.6|
Show InChI InChI=1S/C22H33O6P/c1-29(26,27)14-8-3-2-7-11-19-20(22(25)15-21(19)24)13-12-17(23)16-28-18-9-5-4-6-10-18/h2,4-7,9-10,12-13,17,19-25H,3,8,11,14-16H2,1H3,(H,26,27)/b7-2?,13-12+/t17-,19-,20-,21+,22-/m1/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Procter & Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro binding of the compound at EP4 human prostaglandin receptor using [3H]-PGE-2 as radioligand


J Med Chem 44: 4157-69 (2001)


BindingDB Entry DOI: 10.7270/Q2HT2NNP
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor


(Homo sapiens (Human))
BDBM50106548
PNG
(CHEMBL440164 | {6-[3,5-Dihydroxy-2-(3-hydroxy-4-ph...)
Show SMILES CP(O)(=O)CCCC=CC[C@H]1[C@@H](O)C[C@@H](O)[C@@H]1\C=C\[C@@H](O)COc1ccccc1 |w:7.6|
Show InChI InChI=1S/C22H33O6P/c1-29(26,27)14-8-3-2-7-11-19-20(22(25)15-21(19)24)13-12-17(23)16-28-18-9-5-4-6-10-18/h2,4-7,9-10,12-13,17,19-25H,3,8,11,14-16H2,1H3,(H,26,27)/b7-2?,13-12+/t17-,19-,20-,21+,22-/m1/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Procter & Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro binding of the compound at EP3 human prostaglandin receptor using [3H]-PGE-2 as radioligand


J Med Chem 44: 4157-69 (2001)


BindingDB Entry DOI: 10.7270/Q2HT2NNP
More data for this
Ligand-Target Pair