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BDBM50138053 CHEMBL3753788

SMILES: COCCCC1(CCC1)[C@H](O)\C=C\[C@H]1COC(=O)N1CCSc1nc(cs1)C(O)=O

InChI Key: InChIKey=FEYUNKQIAFSCKX-WIJLQKJISA-N

Data: 1 KI  3 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 4 hits for monomerid = 50138053   
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))
BDBM50138053
PNG
(CHEMBL3753788)
Show SMILES COCCCC1(CCC1)[C@H](O)\C=C\[C@H]1COC(=O)N1CCSc1nc(cs1)C(O)=O |r|
Show InChI InChI=1S/C20H28N2O6S2/c1-27-10-3-8-20(6-2-7-20)16(23)5-4-14-12-28-19(26)22(14)9-11-29-18-21-15(13-30-18)17(24)25/h4-5,13-14,16,23H,2-3,6-12H2,1H3,(H,24,25)/b5-4+/t14-,16+/m0/s1
KEGG

UniProtKB/SwissProt

DrugBank
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CHEMBL
PC cid
PC sid
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PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Ono Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Binding affinity to human EP1 receptor


Bioorg Med Chem Lett 26: 1016-9 (2016)


BindingDB Entry DOI: 10.7270/Q2JS9S81
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor


(Homo sapiens (Human))
BDBM50138053
PNG
(CHEMBL3753788)
Show SMILES COCCCC1(CCC1)[C@H](O)\C=C\[C@H]1COC(=O)N1CCSc1nc(cs1)C(O)=O |r|
Show InChI InChI=1S/C20H28N2O6S2/c1-27-10-3-8-20(6-2-7-20)16(23)5-4-14-12-28-19(26)22(14)9-11-29-18-21-15(13-30-18)17(24)25/h4-5,13-14,16,23H,2-3,6-12H2,1H3,(H,24,25)/b5-4+/t14-,16+/m0/s1
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

PubMed
n/an/an/an/a 25n/an/an/an/a



Ono Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human EP3 receptor


Bioorg Med Chem Lett 26: 1016-9 (2016)


BindingDB Entry DOI: 10.7270/Q2JS9S81
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype


(Homo sapiens (Human))
BDBM50138053
PNG
(CHEMBL3753788)
Show SMILES COCCCC1(CCC1)[C@H](O)\C=C\[C@H]1COC(=O)N1CCSc1nc(cs1)C(O)=O |r|
Show InChI InChI=1S/C20H28N2O6S2/c1-27-10-3-8-20(6-2-7-20)16(23)5-4-14-12-28-19(26)22(14)9-11-29-18-21-15(13-30-18)17(24)25/h4-5,13-14,16,23H,2-3,6-12H2,1H3,(H,24,25)/b5-4+/t14-,16+/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

PubMed
n/an/an/an/a 705n/an/an/an/a



Ono Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human EP4 receptor


Bioorg Med Chem Lett 26: 1016-9 (2016)


BindingDB Entry DOI: 10.7270/Q2JS9S81
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP2 subtype


(Homo sapiens (Human))
BDBM50138053
PNG
(CHEMBL3753788)
Show SMILES COCCCC1(CCC1)[C@H](O)\C=C\[C@H]1COC(=O)N1CCSc1nc(cs1)C(O)=O |r|
Show InChI InChI=1S/C20H28N2O6S2/c1-27-10-3-8-20(6-2-7-20)16(23)5-4-14-12-28-19(26)22(14)9-11-29-18-21-15(13-30-18)17(24)25/h4-5,13-14,16,23H,2-3,6-12H2,1H3,(H,24,25)/b5-4+/t14-,16+/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

PubMed
n/an/an/an/a 18n/an/an/an/a



Ono Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human EP2 receptor


Bioorg Med Chem Lett 26: 1016-9 (2016)


BindingDB Entry DOI: 10.7270/Q2JS9S81
More data for this
Ligand-Target Pair