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SMILES: CCN1CCOc2ccc(cc12)C(=O)Nc1nnc(s1)C1CC1

InChI Key: InChIKey=HLWKISDEYFIAEV-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 = 50166574   
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 EP3 subtype


(Homo sapiens (Human))
BDBM50166574
PNG
(CHEMBL3798598)
Show SMILES CCN1CCOc2ccc(cc12)C(=O)Nc1nnc(s1)C1CC1
Show InChI InChI=1S/C16H18N4O2S/c1-2-20-7-8-22-13-6-5-11(9-12(13)20)14(21)17-16-19-18-15(23-16)10-3-4-10/h5-6,9-10H,2-4,7-8H2,1H3,(H,17,19,21)
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PC cid
PC sid
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Article
PubMed
77n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]PGE2 from human recombinant EP3 receptor expressed in human Chem1 cell membrane by scintillation proximity assay


Bioorg Med Chem Lett 26: 2670-5 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.009
BindingDB Entry DOI: 10.7270/Q2CJ8GDR
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP1 subtype


(Homo sapiens (Human))
BDBM50166574
PNG
(CHEMBL3798598)
Show SMILES CCN1CCOc2ccc(cc12)C(=O)Nc1nnc(s1)C1CC1
Show InChI InChI=1S/C16H18N4O2S/c1-2-20-7-8-22-13-6-5-11(9-12(13)20)14(21)17-16-19-18-15(23-16)10-3-4-10/h5-6,9-10H,2-4,7-8H2,1H3,(H,17,19,21)
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]PGE2 from human recombinant EP1 receptor expressed in human Chem1 cell membrane by scintillation proximity assay


Bioorg Med Chem Lett 26: 2670-5 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.009
BindingDB Entry DOI: 10.7270/Q2CJ8GDR
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype


(Homo sapiens (Human))
BDBM50166574
PNG
(CHEMBL3798598)
Show SMILES CCN1CCOc2ccc(cc12)C(=O)Nc1nnc(s1)C1CC1
Show InChI InChI=1S/C16H18N4O2S/c1-2-20-7-8-22-13-6-5-11(9-12(13)20)14(21)17-16-19-18-15(23-16)10-3-4-10/h5-6,9-10H,2-4,7-8H2,1H3,(H,17,19,21)
PDB

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KEGG

UniProtKB/SwissProt

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antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]PGE2 from human recombinant EP4 receptor expressed in human Chem1 cell membrane by scintillation proximity assay


Bioorg Med Chem Lett 26: 2670-5 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.009
BindingDB Entry DOI: 10.7270/Q2CJ8GDR
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP2 subtype


(Homo sapiens (Human))
BDBM50166574
PNG
(CHEMBL3798598)
Show SMILES CCN1CCOc2ccc(cc12)C(=O)Nc1nnc(s1)C1CC1
Show InChI InChI=1S/C16H18N4O2S/c1-2-20-7-8-22-13-6-5-11(9-12(13)20)14(21)17-16-19-18-15(23-16)10-3-4-10/h5-6,9-10H,2-4,7-8H2,1H3,(H,17,19,21)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]PGE2 from human recombinant EP2 receptor expressed in human Chem1 cell membrane by scintillation proximity assay


Bioorg Med Chem Lett 26: 2670-5 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.009
BindingDB Entry DOI: 10.7270/Q2CJ8GDR
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP3 subtype


(Homo sapiens (Human))
BDBM50166574
PNG
(CHEMBL3798598)
Show SMILES CCN1CCOc2ccc(cc12)C(=O)Nc1nnc(s1)C1CC1
Show InChI InChI=1S/C16H18N4O2S/c1-2-20-7-8-22-13-6-5-11(9-12(13)20)14(21)17-16-19-18-15(23-16)10-3-4-10/h5-6,9-10H,2-4,7-8H2,1H3,(H,17,19,21)
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 74n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant EP3 receptor expressed in CHOK1 cells assessed as inhibition of sulprostone-induced decrease in cAMP level p...


Bioorg Med Chem Lett 26: 2670-5 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.009
BindingDB Entry DOI: 10.7270/Q2CJ8GDR
More data for this
Ligand-Target Pair