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BDBM50200247 4-bromo-2-[1-(4-methoxyphenyl)-1H-pyrazole-4-carbonyl]phenoxyacetic acid::CHEMBL216367

SMILES: COc1ccc(cc1)-n1cc(cn1)C(=O)c1cc(Br)ccc1OCC(O)=O

InChI Key: InChIKey=IPDACYXTBUWPEL-UHFFFAOYSA-N

Data: 2 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50200247   
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))
BDBM50200247
PNG
(4-bromo-2-[1-(4-methoxyphenyl)-1H-pyrazole-4-carbo...)
Show SMILES COc1ccc(cc1)-n1cc(cn1)C(=O)c1cc(Br)ccc1OCC(O)=O
Show InChI InChI=1S/C19H15BrN2O5/c1-26-15-5-3-14(4-6-15)22-10-12(9-21-22)19(25)16-8-13(20)2-7-17(16)27-11-18(23)24/h2-10H,11H2,1H3,(H,23,24)
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PC cid
PC sid
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Similars

Article
PubMed
n/an/a 53n/an/an/an/an/an/a



7TM Pharma A/S

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
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50200247
PNG
(4-bromo-2-[1-(4-methoxyphenyl)-1H-pyrazole-4-carbo...)
Show SMILES COc1ccc(cc1)-n1cc(cn1)C(=O)c1cc(Br)ccc1OCC(O)=O
Show InChI InChI=1S/C19H15BrN2O5/c1-26-15-5-3-14(4-6-15)22-10-12(9-21-22)19(25)16-8-13(20)2-7-17(16)27-11-18(23)24/h2-10H,11H2,1H3,(H,23,24)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 3.60n/an/an/an/an/an/a



7TM Pharma A/S

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