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BDBM50334148 (S)-4-(1-(5-(trifluoromethyl)-1-(4-(trifluoromethyl)benzyl)indoline-7-carboxamido)ethyl)benzoic acid::CHEMBL1645154

SMILES: C[C@H](NC(=O)c1cc(cc2CCN(Cc3ccc(cc3)C(F)(F)F)c12)C(F)(F)F)c1ccc(cc1)C(O)=O

InChI Key: InChIKey=KUCXVWMJDTUHKY-HNNXBMFYSA-N

Data: 1 KI  1 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 2 hits for monomerid = 50334148   
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))
BDBM50334148
PNG
((S)-4-(1-(5-(trifluoromethyl)-1-(4-(trifluoromethy...)
Show SMILES C[C@H](NC(=O)c1cc(cc2CCN(Cc3ccc(cc3)C(F)(F)F)c12)C(F)(F)F)c1ccc(cc1)C(O)=O |r|
Show InChI InChI=1S/C27H22F6N2O3/c1-15(17-4-6-18(7-5-17)25(37)38)34-24(36)22-13-21(27(31,32)33)12-19-10-11-35(23(19)22)14-16-2-8-20(9-3-16)26(28,29)30/h2-9,12-13,15H,10-11,14H2,1H3,(H,34,36)(H,37,38)/t15-/m0/s1
PDB

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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.660n/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))
BDBM50334148
PNG
((S)-4-(1-(5-(trifluoromethyl)-1-(4-(trifluoromethy...)
Show SMILES C[C@H](NC(=O)c1cc(cc2CCN(Cc3ccc(cc3)C(F)(F)F)c12)C(F)(F)F)c1ccc(cc1)C(O)=O |r|
Show InChI InChI=1S/C27H22F6N2O3/c1-15(17-4-6-18(7-5-17)25(37)38)34-24(36)22-13-21(27(31,32)33)12-19-10-11-35(23(19)22)14-16-2-8-20(9-3-16)26(28,29)30/h2-9,12-13,15H,10-11,14H2,1H3,(H,34,36)(H,37,38)/t15-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3n/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