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BDBM50200268 4-methoxy-2-(1-phenyl-1H-pyrazole-4-carbonyl)phenoxyacetic acid::CHEMBL386606

SMILES: COc1ccc(OCC(O)=O)c(c1)C(=O)c1cnn(c1)-c1ccccc1

InChI Key: InChIKey=CMZWOULGVCEVGX-UHFFFAOYSA-N

Data: 2 IC50

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50200268   
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))
BDBM50200268
PNG
(4-methoxy-2-(1-phenyl-1H-pyrazole-4-carbonyl)pheno...)
Show SMILES COc1ccc(OCC(O)=O)c(c1)C(=O)c1cnn(c1)-c1ccccc1
Show InChI InChI=1S/C19H16N2O5/c1-25-15-7-8-17(26-12-18(22)23)16(9-15)19(24)13-10-20-21(11-13)14-5-3-2-4-6-14/h2-11H,12H2,1H3,(H,22,23)
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PC sid
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Article
PubMed
n/an/a 151n/an/an/an/an/an/a



7TM Pharma

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from human CRTH2 receptor expressed in HEK293 cells


J Med Chem 49: 6638-41 (2006)


Article DOI: 10.1021/jm060657g
BindingDB Entry DOI: 10.7270/Q2DF6QV0
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50200268
PNG
(4-methoxy-2-(1-phenyl-1H-pyrazole-4-carbonyl)pheno...)
Show SMILES COc1ccc(OCC(O)=O)c(c1)C(=O)c1cnn(c1)-c1ccccc1
Show InChI InChI=1S/C19H16N2O5/c1-25-15-7-8-17(26-12-18(22)23)16(9-15)19(24)13-10-20-21(11-13)14-5-3-2-4-6-14/h2-11H,12H2,1H3,(H,22,23)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 4.20E+3n/an/an/an/an/an/a



7TM Pharma

Curated by ChEMBL


Assay Description
Antagonist activity against CRTH2 receptor measured as inhibition of PGD2-induced beta-arrestin translocation in HEK293 cells by BRET assay


J Med Chem 49: 6638-41 (2006)


Article DOI: 10.1021/jm060657g
BindingDB Entry DOI: 10.7270/Q2DF6QV0
More data for this
Ligand-Target Pair