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BDBM50335958 2-(2'-(((benzyloxycarbonyl)(ethyl)amino)methyl)-4'-fluoro-6-methoxybiphenyl-3-yl)acetic acid::CHEMBL1668891

SMILES: CCN(Cc1cc(F)ccc1-c1cc(CC(O)=O)ccc1OC)C(=O)OCc1ccccc1

InChI Key: InChIKey=IHNMBVKYKRGYFQ-UHFFFAOYSA-N

Data: 2 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 = 50335958   
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
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50335958
PNG
(2-(2'-(((benzyloxycarbonyl)(ethyl)amino)methyl)-4'...)
Show SMILES CCN(Cc1cc(F)ccc1-c1cc(CC(O)=O)ccc1OC)C(=O)OCc1ccccc1
Show InChI InChI=1S/C26H26FNO5/c1-3-28(26(31)33-17-18-7-5-4-6-8-18)16-20-15-21(27)10-11-22(20)23-13-19(14-25(29)30)9-12-24(23)32-2/h4-13,15H,3,14,16-17H2,1-2H3,(H,29,30)
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PC sid
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Similars

Article
PubMed
n/an/a 1n/an/an/an/an/an/a



USA.

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from human CRTh2 receptor expressed in 293 cells by liquid scintillation counting


Bioorg Med Chem Lett 21: 1036-40 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.016
BindingDB Entry DOI: 10.7270/Q27P8ZNT
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50335958
PNG
(2-(2'-(((benzyloxycarbonyl)(ethyl)amino)methyl)-4'...)
Show SMILES CCN(Cc1cc(F)ccc1-c1cc(CC(O)=O)ccc1OC)C(=O)OCc1ccccc1
Show InChI InChI=1S/C26H26FNO5/c1-3-28(26(31)33-17-18-7-5-4-6-8-18)16-20-15-21(27)10-11-22(20)23-13-19(14-25(29)30)9-12-24(23)32-2/h4-13,15H,3,14,16-17H2,1-2H3,(H,29,30)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 9n/an/an/an/an/an/a



USA.

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from human CRTh2 receptor expressed in 293 cells by liquid scintillation counting in presence of 0.2 % HSA


Bioorg Med Chem Lett 21: 1036-40 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.016
BindingDB Entry DOI: 10.7270/Q27P8ZNT
More data for this
Ligand-Target Pair