BindingDB logo
myBDB logout

BDBM50355880 CHEMBL1910024

SMILES: C[C@H](NC(=O)c1cccc2CCc3cc(ccc3Oc12)C(F)(F)F)c1ccc(cc1)C(O)=O

InChI Key: InChIKey=HJIUSIWRPBXBTB-AWEZNQCLSA-N

Data: 3 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 3 hits for monomerid = 50355880   
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 EP4 subtype


(Homo sapiens (Human))
BDBM50355880
PNG
(CHEMBL1910024)
Show SMILES C[C@H](NC(=O)c1cccc2CCc3cc(ccc3Oc12)C(F)(F)F)c1ccc(cc1)C(O)=O |r|
Show InChI InChI=1S/C25H20F3NO4/c1-14(15-5-8-17(9-6-15)24(31)32)29-23(30)20-4-2-3-16-7-10-18-13-19(25(26,27)28)11-12-21(18)33-22(16)20/h2-6,8-9,11-14H,7,10H2,1H3,(H,29,30)(H,31,32)/t14-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

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



Rottapharm Madaus

Curated by ChEMBL


Assay Description
Antagonist activity at human EP4 receptor expressed in HEK293 cells assessed as inhibition of PGE2-induced cAMP accumulation by bead-based proximity ...


Bioorg Med Chem Lett 21: 6336-40 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.102
BindingDB Entry DOI: 10.7270/Q29Z95B1
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP2 subtype


(Homo sapiens (Human))
BDBM50355880
PNG
(CHEMBL1910024)
Show SMILES C[C@H](NC(=O)c1cccc2CCc3cc(ccc3Oc12)C(F)(F)F)c1ccc(cc1)C(O)=O |r|
Show InChI InChI=1S/C25H20F3NO4/c1-14(15-5-8-17(9-6-15)24(31)32)29-23(30)20-4-2-3-16-7-10-18-13-19(25(26,27)28)11-12-21(18)33-22(16)20/h2-6,8-9,11-14H,7,10H2,1H3,(H,29,30)(H,31,32)/t14-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+3n/an/an/an/an/an/a



Rottapharm Madaus

Curated by ChEMBL


Assay Description
Displacement of [3H]-PGE2 from human EP2 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 21: 6336-40 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.102
BindingDB Entry DOI: 10.7270/Q29Z95B1
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype


(Homo sapiens (Human))
BDBM50355880
PNG
(CHEMBL1910024)
Show SMILES C[C@H](NC(=O)c1cccc2CCc3cc(ccc3Oc12)C(F)(F)F)c1ccc(cc1)C(O)=O |r|
Show InChI InChI=1S/C25H20F3NO4/c1-14(15-5-8-17(9-6-15)24(31)32)29-23(30)20-4-2-3-16-7-10-18-13-19(25(26,27)28)11-12-21(18)33-22(16)20/h2-6,8-9,11-14H,7,10H2,1H3,(H,29,30)(H,31,32)/t14-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 63n/an/an/an/an/an/a



Rottapharm Madaus

Curated by ChEMBL


Assay Description
Displacement of [3H]-PGE2 from human EP4 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 21: 6336-40 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.102
BindingDB Entry DOI: 10.7270/Q29Z95B1
More data for this
Ligand-Target Pair