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BDBM50334132 (S)-4-(1-(1-(4-fluorobenzyl)indoline-7-carboxamido)ethyl)benzoic acid::CHEMBL1645136

SMILES: C[C@H](NC(=O)c1cccc2CCN(Cc3ccc(F)cc3)c12)c1ccc(cc1)C(O)=O

InChI Key: InChIKey=MYBAXLRWSSWELQ-INIZCTEOSA-N

Data: 1 KI  1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50334132   
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))
BDBM50334132
PNG
((S)-4-(1-(1-(4-fluorobenzyl)indoline-7-carboxamido...)
Show SMILES C[C@H](NC(=O)c1cccc2CCN(Cc3ccc(F)cc3)c12)c1ccc(cc1)C(O)=O |r|
Show InChI InChI=1S/C25H23FN2O3/c1-16(18-7-9-20(10-8-18)25(30)31)27-24(29)22-4-2-3-19-13-14-28(23(19)22)15-17-5-11-21(26)12-6-17/h2-12,16H,13-15H2,1H3,(H,27,29)(H,30,31)/t16-/m0/s1
PDB

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CHEMBL
PC cid
PC sid
UniChem

Similars

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



Merck Frosst Canada Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]PGE2 from human prostanoid EP4 receptor expressed in HEK293-EBNA cells after 60 mins by scintillation counting


Bioorg Med Chem Lett 21: 484-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.106
BindingDB Entry DOI: 10.7270/Q2BZ6695
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype


(Homo sapiens (Human))
BDBM50334132
PNG
((S)-4-(1-(1-(4-fluorobenzyl)indoline-7-carboxamido...)
Show SMILES C[C@H](NC(=O)c1cccc2CCN(Cc3ccc(F)cc3)c12)c1ccc(cc1)C(O)=O |r|
Show InChI InChI=1S/C25H23FN2O3/c1-16(18-7-9-20(10-8-18)25(30)31)27-24(29)22-4-2-3-19-13-14-28(23(19)22)15-17-5-11-21(26)12-6-17/h2-12,16H,13-15H2,1H3,(H,27,29)(H,30,31)/t16-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 6.20n/an/an/an/an/an/a



Merck Frosst Canada Inc.

Curated by ChEMBL


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


Bioorg Med Chem Lett 21: 484-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.106
BindingDB Entry DOI: 10.7270/Q2BZ6695
More data for this
Ligand-Target Pair