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SMILES: OC(CCC1CCC(=O)N1CCCc1ccc(cc1)C(O)=O)Cc1cccc(Cl)c1

InChI Key: InChIKey=APXHYSJSTXRVDF-UHFFFAOYSA-N

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 5 hits for monomerid = 50181277   
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


(Homo sapiens (Human))
BDBM50181277
PNG
(4-(3-(2-(4-(3-chlorophenyl)-3-hydroxybutyl)-5-oxop...)
Show SMILES OC(CCC1CCC(=O)N1CCCc1ccc(cc1)C(O)=O)Cc1cccc(Cl)c1
Show InChI InChI=1S/C24H28ClNO4/c25-20-5-1-3-18(15-20)16-22(27)12-10-21-11-13-23(28)26(21)14-2-4-17-6-8-19(9-7-17)24(29)30/h1,3,5-9,15,21-22,27H,2,4,10-14,16H2,(H,29,30)
KEGG

UniProtKB/SwissProt

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PubMed
n/an/a>3.20E+3n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity to human EP1 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 16: 1799-802 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.018
BindingDB Entry DOI: 10.7270/Q2SQ8ZZ5
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype


(Rattus norvegicus)
BDBM50181277
PNG
(4-(3-(2-(4-(3-chlorophenyl)-3-hydroxybutyl)-5-oxop...)
Show SMILES OC(CCC1CCC(=O)N1CCCc1ccc(cc1)C(O)=O)Cc1cccc(Cl)c1
Show InChI InChI=1S/C24H28ClNO4/c25-20-5-1-3-18(15-20)16-22(27)12-10-21-11-13-23(28)26(21)14-2-4-17-6-8-19(9-7-17)24(29)30/h1,3,5-9,15,21-22,27H,2,4,10-14,16H2,(H,29,30)
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PC sid
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Article
PubMed
n/an/an/an/a 425n/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Activity at rat EP4 transfected in HEK293 cells by cAMP accumulation


Bioorg Med Chem Lett 16: 1799-802 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.018
BindingDB Entry DOI: 10.7270/Q2SQ8ZZ5
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype


(Rattus norvegicus)
BDBM50181277
PNG
(4-(3-(2-(4-(3-chlorophenyl)-3-hydroxybutyl)-5-oxop...)
Show SMILES OC(CCC1CCC(=O)N1CCCc1ccc(cc1)C(O)=O)Cc1cccc(Cl)c1
Show InChI InChI=1S/C24H28ClNO4/c25-20-5-1-3-18(15-20)16-22(27)12-10-21-11-13-23(28)26(21)14-2-4-17-6-8-19(9-7-17)24(29)30/h1,3,5-9,15,21-22,27H,2,4,10-14,16H2,(H,29,30)
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 42n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity to rat EP4 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 16: 1799-802 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.018
BindingDB Entry DOI: 10.7270/Q2SQ8ZZ5
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP2 subtype


(Rattus norvegicus)
BDBM50181277
PNG
(4-(3-(2-(4-(3-chlorophenyl)-3-hydroxybutyl)-5-oxop...)
Show SMILES OC(CCC1CCC(=O)N1CCCc1ccc(cc1)C(O)=O)Cc1cccc(Cl)c1
Show InChI InChI=1S/C24H28ClNO4/c25-20-5-1-3-18(15-20)16-22(27)12-10-21-11-13-23(28)26(21)14-2-4-17-6-8-19(9-7-17)24(29)30/h1,3,5-9,15,21-22,27H,2,4,10-14,16H2,(H,29,30)
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>3.20E+3n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity to rat EP2 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 16: 1799-802 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.018
BindingDB Entry DOI: 10.7270/Q2SQ8ZZ5
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP3 subtype


(Homo sapiens (Human))
BDBM50181277
PNG
(4-(3-(2-(4-(3-chlorophenyl)-3-hydroxybutyl)-5-oxop...)
Show SMILES OC(CCC1CCC(=O)N1CCCc1ccc(cc1)C(O)=O)Cc1cccc(Cl)c1
Show InChI InChI=1S/C24H28ClNO4/c25-20-5-1-3-18(15-20)16-22(27)12-10-21-11-13-23(28)26(21)14-2-4-17-6-8-19(9-7-17)24(29)30/h1,3,5-9,15,21-22,27H,2,4,10-14,16H2,(H,29,30)
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>3.20E+3n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity to human EP3 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 16: 1799-802 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.018
BindingDB Entry DOI: 10.7270/Q2SQ8ZZ5
More data for this
Ligand-Target Pair