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BDBM50101855 7-{(1R,2R,3R,5R)-5-Chloro-3-hydroxy-2-[(E)-(S)-3-hydroxy-4-(3-methoxymethyl-phenyl)-but-1-enyl]-cyclopentyl}-heptanoic acid::CHEMBL60894

SMILES: COCc1cccc(C[C@H](O)\C=C\[C@H]2[C@H](O)C[C@@H](Cl)[C@@H]2CCCCCCC(O)=O)c1

InChI Key: InChIKey=MUXRJLRPFWRNBH-BFFDIYQRSA-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 = 50101855   
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 EP4 receptor


(Mus musculus (Mouse))
BDBM50101855
PNG
(7-{(1R,2R,3R,5R)-5-Chloro-3-hydroxy-2-[(E)-(S)-3-h...)
Show SMILES COCc1cccc(C[C@H](O)\C=C\[C@H]2[C@H](O)C[C@@H](Cl)[C@@H]2CCCCCCC(O)=O)c1
Show InChI InChI=1S/C24H35ClO5/c1-30-16-18-8-6-7-17(13-18)14-19(26)11-12-21-20(22(25)15-23(21)27)9-4-2-3-5-10-24(28)29/h6-8,11-13,19-23,26-27H,2-5,9-10,14-16H2,1H3,(H,28,29)/b12-11+/t19-,20-,21-,22-,23-/m1/s1
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PubMed
2.70n/an/an/an/an/an/an/an/a



Minase Research Institute

Curated by ChEMBL


Assay Description
Affinity for mouse Prostanoid EP4 receptor expressed in CHO cells


Bioorg Med Chem Lett 11: 2033-5 (2001)


BindingDB Entry DOI: 10.7270/Q24B30K2
More data for this
Ligand-Target Pair
Prostanoid EP2 Receptor


(Mus musculus (Mouse))
BDBM50101855
PNG
(7-{(1R,2R,3R,5R)-5-Chloro-3-hydroxy-2-[(E)-(S)-3-h...)
Show SMILES COCc1cccc(C[C@H](O)\C=C\[C@H]2[C@H](O)C[C@@H](Cl)[C@@H]2CCCCCCC(O)=O)c1
Show InChI InChI=1S/C24H35ClO5/c1-30-16-18-8-6-7-17(13-18)14-19(26)11-12-21-20(22(25)15-23(21)27)9-4-2-3-5-10-24(28)29/h6-8,11-13,19-23,26-27H,2-5,9-10,14-16H2,1H3,(H,28,29)/b12-11+/t19-,20-,21-,22-,23-/m1/s1
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PubMed
370n/an/an/an/an/an/an/an/a



Minase Research Institute

Curated by ChEMBL


Assay Description
Affinity for mouse Prostanoid EP2 receptor expressed in CHO cells


Bioorg Med Chem Lett 11: 2033-5 (2001)


BindingDB Entry DOI: 10.7270/Q24B30K2
More data for this
Ligand-Target Pair
Prostanoid EP3 Receptor


(Mus musculus (Mouse))
BDBM50101855
PNG
(7-{(1R,2R,3R,5R)-5-Chloro-3-hydroxy-2-[(E)-(S)-3-h...)
Show SMILES COCc1cccc(C[C@H](O)\C=C\[C@H]2[C@H](O)C[C@@H](Cl)[C@@H]2CCCCCCC(O)=O)c1
Show InChI InChI=1S/C24H35ClO5/c1-30-16-18-8-6-7-17(13-18)14-19(26)11-12-21-20(22(25)15-23(21)27)9-4-2-3-5-10-24(28)29/h6-8,11-13,19-23,26-27H,2-5,9-10,14-16H2,1H3,(H,28,29)/b12-11+/t19-,20-,21-,22-,23-/m1/s1
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PubMed
740n/an/an/an/an/an/an/an/a



Minase Research Institute

Curated by ChEMBL


Assay Description
Affinity for mouse Prostanoid EP3 receptor expressed in CHO cells


Bioorg Med Chem Lett 11: 2033-5 (2001)


BindingDB Entry DOI: 10.7270/Q24B30K2
More data for this
Ligand-Target Pair
Prostanoid EP1 Receptor


(Mus musculus (Mouse))
BDBM50101855
PNG
(7-{(1R,2R,3R,5R)-5-Chloro-3-hydroxy-2-[(E)-(S)-3-h...)
Show SMILES COCc1cccc(C[C@H](O)\C=C\[C@H]2[C@H](O)C[C@@H](Cl)[C@@H]2CCCCCCC(O)=O)c1
Show InChI InChI=1S/C24H35ClO5/c1-30-16-18-8-6-7-17(13-18)14-19(26)11-12-21-20(22(25)15-23(21)27)9-4-2-3-5-10-24(28)29/h6-8,11-13,19-23,26-27H,2-5,9-10,14-16H2,1H3,(H,28,29)/b12-11+/t19-,20-,21-,22-,23-/m1/s1
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PubMed
5.40E+3n/an/an/an/an/an/an/an/a



Minase Research Institute

Curated by ChEMBL


Assay Description
Affinity for mouse Prostanoid EP1 receptor expressed in CHO cells


Bioorg Med Chem Lett 11: 2033-5 (2001)


BindingDB Entry DOI: 10.7270/Q24B30K2
More data for this
Ligand-Target Pair
Prostanoid IP receptor


(Homo sapiens (Human))
BDBM50101855
PNG
(7-{(1R,2R,3R,5R)-5-Chloro-3-hydroxy-2-[(E)-(S)-3-h...)
Show SMILES COCc1cccc(C[C@H](O)\C=C\[C@H]2[C@H](O)C[C@@H](Cl)[C@@H]2CCCCCCC(O)=O)c1
Show InChI InChI=1S/C24H35ClO5/c1-30-16-18-8-6-7-17(13-18)14-19(26)11-12-21-20(22(25)15-23(21)27)9-4-2-3-5-10-24(28)29/h6-8,11-13,19-23,26-27H,2-5,9-10,14-16H2,1H3,(H,28,29)/b12-11+/t19-,20-,21-,22-,23-/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
Affinity for human Prostanoid IP receptor expressed in CHO cells


Bioorg Med Chem Lett 11: 2033-5 (2001)


BindingDB Entry DOI: 10.7270/Q24B30K2
More data for this
Ligand-Target Pair
Prostanoid EP4 Receptor


(Mus musculus (Mouse))
BDBM50101855
PNG
(7-{(1R,2R,3R,5R)-5-Chloro-3-hydroxy-2-[(E)-(S)-3-h...)
Show SMILES COCc1cccc(C[C@H](O)\C=C\[C@H]2[C@H](O)C[C@@H](Cl)[C@@H]2CCCCCCC(O)=O)c1
Show InChI InChI=1S/C24H35ClO5/c1-30-16-18-8-6-7-17(13-18)14-19(26)11-12-21-20(22(25)15-23(21)27)9-4-2-3-5-10-24(28)29/h6-8,11-13,19-23,26-27H,2-5,9-10,14-16H2,1H3,(H,28,29)/b12-11+/t19-,20-,21-,22-,23-/m1/s1
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PubMed
n/an/an/an/a 160n/an/an/an/a



Minase Research Institute

Curated by ChEMBL


Assay Description
Effective concentration for increased intracellular c-AMP production by mouse Prostanoid EP4 receptor


Bioorg Med Chem Lett 11: 2033-5 (2001)


BindingDB Entry DOI: 10.7270/Q24B30K2
More data for this
Ligand-Target Pair