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BDBM50101833 (Z)-7-{(1R,2R,3R)-3-Hydroxy-2-[(E)-(S)-4-hydroxy-4-(1-propyl-cyclopentyl)-but-1-enyl]-5-oxo-cyclopentyl}-hept-5-enoic acid::CHEMBL62885

SMILES: CCCC1(CCCC1)[C@@H](O)C\C=C\[C@H]1[C@H](O)CC(=O)[C@@H]1C\C=C/CCCC(O)=O

InChI Key: InChIKey=CGVFVYJKFYSUMB-TWZLQVLMSA-N

Data: 5 KI  1 EC50

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 6 hits for monomerid = 50101833   
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 EP3 Receptor


(Mus musculus (Mouse))
BDBM50101833
PNG
((Z)-7-{(1R,2R,3R)-3-Hydroxy-2-[(E)-(S)-4-hydroxy-4...)
Show SMILES CCCC1(CCCC1)[C@@H](O)C\C=C\[C@H]1[C@H](O)CC(=O)[C@@H]1C\C=C/CCCC(O)=O
Show InChI InChI=1S/C24H38O5/c1-2-14-24(15-7-8-16-24)22(27)12-9-11-19-18(20(25)17-21(19)26)10-5-3-4-6-13-23(28)29/h3,5,9,11,18-19,21-22,26-27H,2,4,6-8,10,12-17H2,1H3,(H,28,29)/b5-3-,11-9+/t18-,19-,21-,22+/m1/s1
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PubMed
>0.000100n/an/an/an/an/an/an/an/a



Minase Research Institute

Curated by ChEMBL


Assay Description
Binding affinity towards mouse Prostanoid EP3 receptor in CHO cells.


Bioorg Med Chem Lett 11: 2025-8 (2001)


BindingDB Entry DOI: 10.7270/Q2CV4H1T
More data for this
Ligand-Target Pair
Prostanoid EP2 Receptor


(Mus musculus (Mouse))
BDBM50101833
PNG
((Z)-7-{(1R,2R,3R)-3-Hydroxy-2-[(E)-(S)-4-hydroxy-4...)
Show SMILES CCCC1(CCCC1)[C@@H](O)C\C=C\[C@H]1[C@H](O)CC(=O)[C@@H]1C\C=C/CCCC(O)=O
Show InChI InChI=1S/C24H38O5/c1-2-14-24(15-7-8-16-24)22(27)12-9-11-19-18(20(25)17-21(19)26)10-5-3-4-6-13-23(28)29/h3,5,9,11,18-19,21-22,26-27H,2,4,6-8,10,12-17H2,1H3,(H,28,29)/b5-3-,11-9+/t18-,19-,21-,22+/m1/s1
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PubMed
370n/an/an/an/an/an/an/an/a



Minase Research Institute

Curated by ChEMBL


Assay Description
Binding affinity towards mouse Prostanoid EP2 receptor expressed in CHO cells.


Bioorg Med Chem Lett 11: 2025-8 (2001)


BindingDB Entry DOI: 10.7270/Q2CV4H1T
More data for this
Ligand-Target Pair
Prostanoid EP4 Receptor


(Mus musculus (Mouse))
BDBM50101833
PNG
((Z)-7-{(1R,2R,3R)-3-Hydroxy-2-[(E)-(S)-4-hydroxy-4...)
Show SMILES CCCC1(CCCC1)[C@@H](O)C\C=C\[C@H]1[C@H](O)CC(=O)[C@@H]1C\C=C/CCCC(O)=O
Show InChI InChI=1S/C24H38O5/c1-2-14-24(15-7-8-16-24)22(27)12-9-11-19-18(20(25)17-21(19)26)10-5-3-4-6-13-23(28)29/h3,5,9,11,18-19,21-22,26-27H,2,4,6-8,10,12-17H2,1H3,(H,28,29)/b5-3-,11-9+/t18-,19-,21-,22+/m1/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Minase Research Institute

Curated by ChEMBL


Assay Description
Binding affinity towards mouse Prostanoid EP4 receptor in CHO cells.


Bioorg Med Chem Lett 11: 2025-8 (2001)


BindingDB Entry DOI: 10.7270/Q2CV4H1T
More data for this
Ligand-Target Pair
Prostanoid IP receptor


(Homo sapiens (Human))
BDBM50101833
PNG
((Z)-7-{(1R,2R,3R)-3-Hydroxy-2-[(E)-(S)-4-hydroxy-4...)
Show SMILES CCCC1(CCCC1)[C@@H](O)C\C=C\[C@H]1[C@H](O)CC(=O)[C@@H]1C\C=C/CCCC(O)=O
Show InChI InChI=1S/C24H38O5/c1-2-14-24(15-7-8-16-24)22(27)12-9-11-19-18(20(25)17-21(19)26)10-5-3-4-6-13-23(28)29/h3,5,9,11,18-19,21-22,26-27H,2,4,6-8,10,12-17H2,1H3,(H,28,29)/b5-3-,11-9+/t18-,19-,21-,22+/m1/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Minase Research Institute

Curated by ChEMBL


Assay Description
Binding affinity towards human Prostanoid IP receptor in CHO cells.


Bioorg Med Chem Lett 11: 2025-8 (2001)


BindingDB Entry DOI: 10.7270/Q2CV4H1T
More data for this
Ligand-Target Pair
Prostanoid EP1 Receptor


(Mus musculus (Mouse))
BDBM50101833
PNG
((Z)-7-{(1R,2R,3R)-3-Hydroxy-2-[(E)-(S)-4-hydroxy-4...)
Show SMILES CCCC1(CCCC1)[C@@H](O)C\C=C\[C@H]1[C@H](O)CC(=O)[C@@H]1C\C=C/CCCC(O)=O
Show InChI InChI=1S/C24H38O5/c1-2-14-24(15-7-8-16-24)22(27)12-9-11-19-18(20(25)17-21(19)26)10-5-3-4-6-13-23(28)29/h3,5,9,11,18-19,21-22,26-27H,2,4,6-8,10,12-17H2,1H3,(H,28,29)/b5-3-,11-9+/t18-,19-,21-,22+/m1/s1
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PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Minase Research Institute

Curated by ChEMBL


Assay Description
Binding affinity towards mouse Prostanoid EP1 receptor in CHO cells.


Bioorg Med Chem Lett 11: 2025-8 (2001)


BindingDB Entry DOI: 10.7270/Q2CV4H1T
More data for this
Ligand-Target Pair
Prostanoid EP2 receptor


(Mus musculus (Mouse))
BDBM50101833
PNG
((Z)-7-{(1R,2R,3R)-3-Hydroxy-2-[(E)-(S)-4-hydroxy-4...)
Show SMILES CCCC1(CCCC1)[C@@H](O)C\C=C\[C@H]1[C@H](O)CC(=O)[C@@H]1C\C=C/CCCC(O)=O
Show InChI InChI=1S/C24H38O5/c1-2-14-24(15-7-8-16-24)22(27)12-9-11-19-18(20(25)17-21(19)26)10-5-3-4-6-13-23(28)29/h3,5,9,11,18-19,21-22,26-27H,2,4,6-8,10,12-17H2,1H3,(H,28,29)/b5-3-,11-9+/t18-,19-,21-,22+/m1/s1
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PubMed
n/an/an/an/a 580n/an/an/an/a



Minase Research Institute

Curated by ChEMBL


Assay Description
Effective concentration which increases intracellular c-AMP production in human Prostanoid IP receptor


Bioorg Med Chem Lett 11: 2025-8 (2001)


BindingDB Entry DOI: 10.7270/Q2CV4H1T
More data for this
Ligand-Target Pair