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BDBM50232543 CHEMBL4096216

SMILES: C[C@H](NC(=O)c1cc(Cl)cnc1Oc1ccc(F)cc1)c1ccc(cc1)C(O)=O

InChI Key: InChIKey=KQRDIJJCEPLGDK-LBPRGKRZSA-N

Data: 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 5 hits for monomerid = 50232543   
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))
BDBM50232543
PNG
(CHEMBL4096216)
Show SMILES C[C@H](NC(=O)c1cc(Cl)cnc1Oc1ccc(F)cc1)c1ccc(cc1)C(O)=O |r|
Show InChI InChI=1S/C21H16ClFN2O4/c1-12(13-2-4-14(5-3-13)21(27)28)25-19(26)18-10-15(22)11-24-20(18)29-17-8-6-16(23)7-9-17/h2-12H,1H3,(H,25,26)(H,27,28)/t12-/m0/s1
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PubMed
n/an/a 9.70n/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))
BDBM50232543
PNG
(CHEMBL4096216)
Show SMILES C[C@H](NC(=O)c1cc(Cl)cnc1Oc1ccc(F)cc1)c1ccc(cc1)C(O)=O |r|
Show InChI InChI=1S/C21H16ClFN2O4/c1-12(13-2-4-14(5-3-13)21(27)28)25-19(26)18-10-15(22)11-24-20(18)29-17-8-6-16(23)7-9-17/h2-12H,1H3,(H,25,26)(H,27,28)/t12-/m0/s1
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
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 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 EP4 subtype


(Homo sapiens (Human))
BDBM50232543
PNG
(CHEMBL4096216)
Show SMILES C[C@H](NC(=O)c1cc(Cl)cnc1Oc1ccc(F)cc1)c1ccc(cc1)C(O)=O |r|
Show InChI InChI=1S/C21H16ClFN2O4/c1-12(13-2-4-14(5-3-13)21(27)28)25-19(26)18-10-15(22)11-24-20(18)29-17-8-6-16(23)7-9-17/h2-12H,1H3,(H,25,26)(H,27,28)/t12-/m0/s1
PDB

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PubMed
n/an/a 26n/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))
BDBM50232543
PNG
(CHEMBL4096216)
Show SMILES C[C@H](NC(=O)c1cc(Cl)cnc1Oc1ccc(F)cc1)c1ccc(cc1)C(O)=O |r|
Show InChI InChI=1S/C21H16ClFN2O4/c1-12(13-2-4-14(5-3-13)21(27)28)25-19(26)18-10-15(22)11-24-20(18)29-17-8-6-16(23)7-9-17/h2-12H,1H3,(H,25,26)(H,27,28)/t12-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
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PC cid
PC sid
UniChem

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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


(Homo sapiens (Human))
BDBM50232543
PNG
(CHEMBL4096216)
Show SMILES C[C@H](NC(=O)c1cc(Cl)cnc1Oc1ccc(F)cc1)c1ccc(cc1)C(O)=O |r|
Show InChI InChI=1S/C21H16ClFN2O4/c1-12(13-2-4-14(5-3-13)21(27)28)25-19(26)18-10-15(22)11-24-20(18)29-17-8-6-16(23)7-9-17/h2-12H,1H3,(H,25,26)(H,27,28)/t12-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 4.36E+3n/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