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BDBM50232546 CHEMBL4103046

SMILES: OC(=O)c1ccc(CNC(=O)c2cc(F)cnc2Oc2ccc(F)cc2)cc1

InChI Key: InChIKey=MKVAIHBXTDOGGX-UHFFFAOYSA-N

Data: 1 KI  5 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 6 hits for monomerid = 50232546   
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


(Homo sapiens (Human))
BDBM50232546
PNG
(CHEMBL4103046)
Show SMILES OC(=O)c1ccc(CNC(=O)c2cc(F)cnc2Oc2ccc(F)cc2)cc1
Show InChI InChI=1S/C20H14F2N2O4/c21-14-5-7-16(8-6-14)28-19-17(9-15(22)11-24-19)18(25)23-10-12-1-3-13(4-2-12)20(26)27/h1-9,11H,10H2,(H,23,25)(H,26,27)
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PubMed
73n/an/an/an/an/an/an/an/a



AskAt Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]PGE from human EP4 receptor expressed in HEK293 cell membranes


Bioorg Med Chem Lett 27: 1186-1192 (2017)


BindingDB Entry DOI: 10.7270/Q2Q242F0
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor


(Homo sapiens (Human))
BDBM50232546
PNG
(CHEMBL4103046)
Show SMILES OC(=O)c1ccc(CNC(=O)c2cc(F)cnc2Oc2ccc(F)cc2)cc1
Show InChI InChI=1S/C20H14F2N2O4/c21-14-5-7-16(8-6-14)28-19-17(9-15(22)11-24-19)18(25)23-10-12-1-3-13(4-2-12)20(26)27/h1-9,11H,10H2,(H,23,25)(H,26,27)
KEGG

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PubMed
n/an/a>2.00E+4n/an/an/an/an/an/a



AskAt Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human EP1 receptor


Bioorg Med Chem Lett 27: 1186-1192 (2017)


BindingDB Entry DOI: 10.7270/Q2Q242F0
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor


(Homo sapiens (Human))
BDBM50232546
PNG
(CHEMBL4103046)
Show SMILES OC(=O)c1ccc(CNC(=O)c2cc(F)cnc2Oc2ccc(F)cc2)cc1
Show InChI InChI=1S/C20H14F2N2O4/c21-14-5-7-16(8-6-14)28-19-17(9-15(22)11-24-19)18(25)23-10-12-1-3-13(4-2-12)20(26)27/h1-9,11H,10H2,(H,23,25)(H,26,27)
PDB

KEGG

UniProtKB/SwissProt

DrugBank
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GoogleScholar
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PC cid
PC sid
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PubMed
n/an/a>2.00E+4n/an/an/an/an/an/a



AskAt Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human EP3 receptor


Bioorg Med Chem Lett 27: 1186-1192 (2017)


BindingDB Entry DOI: 10.7270/Q2Q242F0
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype


(Homo sapiens (Human))
BDBM50232546
PNG
(CHEMBL4103046)
Show SMILES OC(=O)c1ccc(CNC(=O)c2cc(F)cnc2Oc2ccc(F)cc2)cc1
Show InChI InChI=1S/C20H14F2N2O4/c21-14-5-7-16(8-6-14)28-19-17(9-15(22)11-24-19)18(25)23-10-12-1-3-13(4-2-12)20(26)27/h1-9,11H,10H2,(H,23,25)(H,26,27)
PDB

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n/an/a 575n/an/an/an/an/an/a



AskAt Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human EP4 receptor expressed in HEK293 cells assessed as inhibition of PGE2-induced cAMP level by HTS assay


Bioorg Med Chem Lett 27: 1186-1192 (2017)


BindingDB Entry DOI: 10.7270/Q2Q242F0
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor


(Homo sapiens (Human))
BDBM50232546
PNG
(CHEMBL4103046)
Show SMILES OC(=O)c1ccc(CNC(=O)c2cc(F)cnc2Oc2ccc(F)cc2)cc1
Show InChI InChI=1S/C20H14F2N2O4/c21-14-5-7-16(8-6-14)28-19-17(9-15(22)11-24-19)18(25)23-10-12-1-3-13(4-2-12)20(26)27/h1-9,11H,10H2,(H,23,25)(H,26,27)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
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PC cid
PC sid
UniChem

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PubMed
n/an/a 104n/an/an/an/an/an/a



AskAt Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]PGE from human EP4 receptor expressed in HEK293 cell membranes


Bioorg Med Chem Lett 27: 1186-1192 (2017)


BindingDB Entry DOI: 10.7270/Q2Q242F0
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor


(Homo sapiens (Human))
BDBM50232546
PNG
(CHEMBL4103046)
Show SMILES OC(=O)c1ccc(CNC(=O)c2cc(F)cnc2Oc2ccc(F)cc2)cc1
Show InChI InChI=1S/C20H14F2N2O4/c21-14-5-7-16(8-6-14)28-19-17(9-15(22)11-24-19)18(25)23-10-12-1-3-13(4-2-12)20(26)27/h1-9,11H,10H2,(H,23,25)(H,26,27)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a>2.00E+4n/an/an/an/an/an/a



AskAt Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human EP2 receptor


Bioorg Med Chem Lett 27: 1186-1192 (2017)


BindingDB Entry DOI: 10.7270/Q2Q242F0
More data for this
Ligand-Target Pair