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BDBM50255343 3-(1-(3,4-difluorobenzyl)-3a-methyl-2-oxo-2,3,3a,4,5,6-hexahydro-1H-indol-7-yl)-N-(2,4,5-trifluorophenylsulfonyl)propanamide::CHEMBL480635

SMILES: CC12CC(=O)N(Cc3ccc(F)c(F)c3)C1=C(CCC(=O)NS(=O)(=O)c1cc(F)c(F)cc1F)CCC2

InChI Key: InChIKey=XDKFRUVPYYENCA-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50255343   
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))
BDBM50255343
PNG
(3-(1-(3,4-difluorobenzyl)-3a-methyl-2-oxo-2,3,3a,4...)
Show SMILES CC12CC(=O)N(Cc3ccc(F)c(F)c3)C1=C(CCC(=O)NS(=O)(=O)c1cc(F)c(F)cc1F)CCC2 |t:17|
Show InChI InChI=1S/C25H23F5N2O4S/c1-25-8-2-3-15(24(25)32(23(34)12-25)13-14-4-6-16(26)17(27)9-14)5-7-22(33)31-37(35,36)21-11-19(29)18(28)10-20(21)30/h4,6,9-11H,2-3,5,7-8,12-13H2,1H3,(H,31,33)
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.80n/an/an/an/an/an/a



deCODE Chemistry, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]PGE2 from human EP3 receptor


Bioorg Med Chem Lett 19: 778-82 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.027
BindingDB Entry DOI: 10.7270/Q24M94DH
More data for this
Ligand-Target Pair