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BDBM50085915 7-{3,5-Dihydroxy-2-[3-hydroxy-4-(thiazol-2-ylsulfanyl)-butyl]-cyclopentyl}-heptanoic acid::CHEMBL173811

SMILES: OC(CC[C@H]1[C@H](O)C[C@H](O)[C@@H]1CCCCCCC(O)=O)CSc1nccs1

InChI Key: InChIKey=FNZKSJLLEXLFRT-MUOSFQKXSA-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 = 50085915   
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
Prostaglandin E2 receptor EP1 subtype (EP1)


(Homo sapiens (Human))
BDBM50085915
PNG
(7-{3,5-Dihydroxy-2-[3-hydroxy-4-(thiazol-2-ylsulfa...)
Show SMILES OC(CC[C@H]1[C@H](O)C[C@H](O)[C@@H]1CCCCCCC(O)=O)CSc1nccs1
Show InChI InChI=1S/C19H31NO5S2/c21-13(12-27-19-20-9-10-26-19)7-8-15-14(16(22)11-17(15)23)5-3-1-2-4-6-18(24)25/h9-10,13-17,21-23H,1-8,11-12H2,(H,24,25)/t13?,14-,15-,16+,17-/m1/s1
KEGG

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PC cid
PC sid
UniChem
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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 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
Prostaglandin E2 receptor EP4 subtype


(Homo sapiens (Human))
BDBM50085915
PNG
(7-{3,5-Dihydroxy-2-[3-hydroxy-4-(thiazol-2-ylsulfa...)
Show SMILES OC(CC[C@H]1[C@H](O)C[C@H](O)[C@@H]1CCCCCCC(O)=O)CSc1nccs1
Show InChI InChI=1S/C19H31NO5S2/c21-13(12-27-19-20-9-10-26-19)7-8-15-14(16(22)11-17(15)23)5-3-1-2-4-6-18(24)25/h9-10,13-17,21-23H,1-8,11-12H2,(H,24,25)/t13?,14-,15-,16+,17-/m1/s1
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PC sid
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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 F2-alpha receptor


(Homo sapiens (Human))
BDBM50085915
PNG
(7-{3,5-Dihydroxy-2-[3-hydroxy-4-(thiazol-2-ylsulfa...)
Show SMILES OC(CC[C@H]1[C@H](O)C[C@H](O)[C@@H]1CCCCCCC(O)=O)CSc1nccs1
Show InChI InChI=1S/C19H31NO5S2/c21-13(12-27-19-20-9-10-26-19)7-8-15-14(16(22)11-17(15)23)5-3-1-2-4-6-18(24)25/h9-10,13-17,21-23H,1-8,11-12H2,(H,24,25)/t13?,14-,15-,16+,17-/m1/s1
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n/an/a 1.42E+3n/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 EP2 subtype


(Homo sapiens (Human))
BDBM50085915
PNG
(7-{3,5-Dihydroxy-2-[3-hydroxy-4-(thiazol-2-ylsulfa...)
Show SMILES OC(CC[C@H]1[C@H](O)C[C@H](O)[C@@H]1CCCCCCC(O)=O)CSc1nccs1
Show InChI InChI=1S/C19H31NO5S2/c21-13(12-27-19-20-9-10-26-19)7-8-15-14(16(22)11-17(15)23)5-3-1-2-4-6-18(24)25/h9-10,13-17,21-23H,1-8,11-12H2,(H,24,25)/t13?,14-,15-,16+,17-/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
Prostanoid DP receptor


(Homo sapiens (Human))
BDBM50085915
PNG
(7-{3,5-Dihydroxy-2-[3-hydroxy-4-(thiazol-2-ylsulfa...)
Show SMILES OC(CC[C@H]1[C@H](O)C[C@H](O)[C@@H]1CCCCCCC(O)=O)CSc1nccs1
Show InChI InChI=1S/C19H31NO5S2/c21-13(12-27-19-20-9-10-26-19)7-8-15-14(16(22)11-17(15)23)5-3-1-2-4-6-18(24)25/h9-10,13-17,21-23H,1-8,11-12H2,(H,24,25)/t13?,14-,15-,16+,17-/m1/s1
UniProtKB/SwissProt

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CHEMBL
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PC sid
UniChem
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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
Prostaglandin E2 receptor


(Homo sapiens (Human))
BDBM50085915
PNG
(7-{3,5-Dihydroxy-2-[3-hydroxy-4-(thiazol-2-ylsulfa...)
Show SMILES OC(CC[C@H]1[C@H](O)C[C@H](O)[C@@H]1CCCCCCC(O)=O)CSc1nccs1
Show InChI InChI=1S/C19H31NO5S2/c21-13(12-27-19-20-9-10-26-19)7-8-15-14(16(22)11-17(15)23)5-3-1-2-4-6-18(24)25/h9-10,13-17,21-23H,1-8,11-12H2,(H,24,25)/t13?,14-,15-,16+,17-/m1/s1
PDB

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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 IP receptor


(Homo sapiens (Human))
BDBM50085915
PNG
(7-{3,5-Dihydroxy-2-[3-hydroxy-4-(thiazol-2-ylsulfa...)
Show SMILES OC(CC[C@H]1[C@H](O)C[C@H](O)[C@@H]1CCCCCCC(O)=O)CSc1nccs1
Show InChI InChI=1S/C19H31NO5S2/c21-13(12-27-19-20-9-10-26-19)7-8-15-14(16(22)11-17(15)23)5-3-1-2-4-6-18(24)25/h9-10,13-17,21-23H,1-8,11-12H2,(H,24,25)/t13?,14-,15-,16+,17-/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
Prostanoid TP receptor


(Homo sapiens (Human))
BDBM50085915
PNG
(7-{3,5-Dihydroxy-2-[3-hydroxy-4-(thiazol-2-ylsulfa...)
Show SMILES OC(CC[C@H]1[C@H](O)C[C@H](O)[C@@H]1CCCCCCC(O)=O)CSc1nccs1
Show InChI InChI=1S/C19H31NO5S2/c21-13(12-27-19-20-9-10-26-19)7-8-15-14(16(22)11-17(15)23)5-3-1-2-4-6-18(24)25/h9-10,13-17,21-23H,1-8,11-12H2,(H,24,25)/t13?,14-,15-,16+,17-/m1/s1
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
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