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BDBM50085920 7-{3,5-Dihydroxy-2-[3-hydroxy-4-(3-trifluoromethyl-phenylsulfanyl)-butyl]-cyclopentyl}-heptanoic acid::CHEMBL172250

SMILES: OC(CC[C@H]1[C@H](O)C[C@H](O)[C@@H]1CCCCCCC(O)=O)CSc1cccc(c1)C(F)(F)F

InChI Key: InChIKey=UTWJCPYPHXPKCM-HOPUUNBDSA-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 = 50085920   
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))
BDBM50085920
PNG
(7-{3,5-Dihydroxy-2-[3-hydroxy-4-(3-trifluoromethyl...)
Show SMILES OC(CC[C@H]1[C@H](O)C[C@H](O)[C@@H]1CCCCCCC(O)=O)CSc1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C23H33F3O5S/c24-23(25,26)15-6-5-7-17(12-15)32-14-16(27)10-11-19-18(20(28)13-21(19)29)8-3-1-2-4-9-22(30)31/h5-7,12,16,18-21,27-29H,1-4,8-11,13-14H2,(H,30,31)/t16?,18-,19-,20+,21-/m1/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Affinity for Prostaglandin I2 receptor expressed in CHO cells


J Med Chem 43: 945-52 (2000)


BindingDB Entry DOI: 10.7270/Q2MW2GCN
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP2 subtype


(Homo sapiens (Human))
BDBM50085920
PNG
(7-{3,5-Dihydroxy-2-[3-hydroxy-4-(3-trifluoromethyl...)
Show SMILES OC(CC[C@H]1[C@H](O)C[C@H](O)[C@@H]1CCCCCCC(O)=O)CSc1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C23H33F3O5S/c24-23(25,26)15-6-5-7-17(12-15)32-14-16(27)10-11-19-18(20(28)13-21(19)29)8-3-1-2-4-9-22(30)31/h5-7,12,16,18-21,27-29H,1-4,8-11,13-14H2,(H,30,31)/t16?,18-,19-,20+,21-/m1/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Affinity for Prostanoid EP2 receptor expressed in CHO cells


J Med Chem 43: 945-52 (2000)


BindingDB Entry DOI: 10.7270/Q2MW2GCN
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype


(Homo sapiens (Human))
BDBM50085920
PNG
(7-{3,5-Dihydroxy-2-[3-hydroxy-4-(3-trifluoromethyl...)
Show SMILES OC(CC[C@H]1[C@H](O)C[C@H](O)[C@@H]1CCCCCCC(O)=O)CSc1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C23H33F3O5S/c24-23(25,26)15-6-5-7-17(12-15)32-14-16(27)10-11-19-18(20(28)13-21(19)29)8-3-1-2-4-9-22(30)31/h5-7,12,16,18-21,27-29H,1-4,8-11,13-14H2,(H,30,31)/t16?,18-,19-,20+,21-/m1/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Affinity for Prostanoid EP4 receptor expressed in CHO cells


J Med Chem 43: 945-52 (2000)


BindingDB Entry DOI: 10.7270/Q2MW2GCN
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor


(Homo sapiens (Human))
BDBM50085920
PNG
(7-{3,5-Dihydroxy-2-[3-hydroxy-4-(3-trifluoromethyl...)
Show SMILES OC(CC[C@H]1[C@H](O)C[C@H](O)[C@@H]1CCCCCCC(O)=O)CSc1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C23H33F3O5S/c24-23(25,26)15-6-5-7-17(12-15)32-14-16(27)10-11-19-18(20(28)13-21(19)29)8-3-1-2-4-9-22(30)31/h5-7,12,16,18-21,27-29H,1-4,8-11,13-14H2,(H,30,31)/t16?,18-,19-,20+,21-/m1/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Affinity for Prostanoid EP3 receptor expressed in CHO cell line


J Med Chem 43: 945-52 (2000)


BindingDB Entry DOI: 10.7270/Q2MW2GCN
More data for this
Ligand-Target Pair
Prostanoid TP receptor


(Homo sapiens (Human))
BDBM50085920
PNG
(7-{3,5-Dihydroxy-2-[3-hydroxy-4-(3-trifluoromethyl...)
Show SMILES OC(CC[C@H]1[C@H](O)C[C@H](O)[C@@H]1CCCCCCC(O)=O)CSc1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C23H33F3O5S/c24-23(25,26)15-6-5-7-17(12-15)32-14-16(27)10-11-19-18(20(28)13-21(19)29)8-3-1-2-4-9-22(30)31/h5-7,12,16,18-21,27-29H,1-4,8-11,13-14H2,(H,30,31)/t16?,18-,19-,20+,21-/m1/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Affinity for Prostanoid TP receptor expressed in CHO cells


J Med Chem 43: 945-52 (2000)


BindingDB Entry DOI: 10.7270/Q2MW2GCN
More data for this
Ligand-Target Pair
Prostaglandin F2-alpha receptor


(Homo sapiens (Human))
BDBM50085920
PNG
(7-{3,5-Dihydroxy-2-[3-hydroxy-4-(3-trifluoromethyl...)
Show SMILES OC(CC[C@H]1[C@H](O)C[C@H](O)[C@@H]1CCCCCCC(O)=O)CSc1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C23H33F3O5S/c24-23(25,26)15-6-5-7-17(12-15)32-14-16(27)10-11-19-18(20(28)13-21(19)29)8-3-1-2-4-9-22(30)31/h5-7,12,16,18-21,27-29H,1-4,8-11,13-14H2,(H,30,31)/t16?,18-,19-,20+,21-/m1/s1
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n/an/a 320n/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Affinity for human Prostanoid FP receptor expressed in COS-7 cells


J Med Chem 43: 945-52 (2000)


BindingDB Entry DOI: 10.7270/Q2MW2GCN
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP1 subtype (EP1)


(Homo sapiens (Human))
BDBM50085920
PNG
(7-{3,5-Dihydroxy-2-[3-hydroxy-4-(3-trifluoromethyl...)
Show SMILES OC(CC[C@H]1[C@H](O)C[C@H](O)[C@@H]1CCCCCCC(O)=O)CSc1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C23H33F3O5S/c24-23(25,26)15-6-5-7-17(12-15)32-14-16(27)10-11-19-18(20(28)13-21(19)29)8-3-1-2-4-9-22(30)31/h5-7,12,16,18-21,27-29H,1-4,8-11,13-14H2,(H,30,31)/t16?,18-,19-,20+,21-/m1/s1
KEGG

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n/an/a 2.70E+3n/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Affinity for Prostanoid EP1 receptor expressed in COS-7 cells.


J Med Chem 43: 945-52 (2000)


BindingDB Entry DOI: 10.7270/Q2MW2GCN
More data for this
Ligand-Target Pair
Prostanoid DP receptor


(Homo sapiens (Human))
BDBM50085920
PNG
(7-{3,5-Dihydroxy-2-[3-hydroxy-4-(3-trifluoromethyl...)
Show SMILES OC(CC[C@H]1[C@H](O)C[C@H](O)[C@@H]1CCCCCCC(O)=O)CSc1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C23H33F3O5S/c24-23(25,26)15-6-5-7-17(12-15)32-14-16(27)10-11-19-18(20(28)13-21(19)29)8-3-1-2-4-9-22(30)31/h5-7,12,16,18-21,27-29H,1-4,8-11,13-14H2,(H,30,31)/t16?,18-,19-,20+,21-/m1/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Affinity for human Prostaglandin D2 receptor expressed in HEK-293 cells


J Med Chem 43: 945-52 (2000)


BindingDB Entry DOI: 10.7270/Q2MW2GCN
More data for this
Ligand-Target Pair