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BDBM50344994 2-(5-chloro-3'-cyanobiphenyl-2-yloxy)acetic acid::CHEMBL1778636

SMILES: OC(=O)COc1ccc(Cl)cc1-c1cccc(c1)C#N

InChI Key: InChIKey=LKVOYKPVSRJIAP-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 = 50344994   
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 D2 receptor 2


(Homo sapiens (Human))
BDBM50344994
PNG
(2-(5-chloro-3'-cyanobiphenyl-2-yloxy)acetic acid |...)
Show SMILES OC(=O)COc1ccc(Cl)cc1-c1cccc(c1)C#N
Show InChI InChI=1S/C15H10ClNO3/c16-12-4-5-14(20-9-15(18)19)13(7-12)11-3-1-2-10(6-11)8-17/h1-7H,9H2,(H,18,19)
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Similars

Article
PubMed
n/an/a 1.70n/an/an/an/an/an/a



AstraZeneca R&D Charnwood

Curated by ChEMBL


Assay Description
Displacement of [3H]-PGD2 from CRTh2 receptor by scintillation proximity assay


Bioorg Med Chem Lett 21: 3616-21 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.101
BindingDB Entry DOI: 10.7270/Q2S46S9Z
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Homo sapiens (Human))
BDBM50344994
PNG
(2-(5-chloro-3'-cyanobiphenyl-2-yloxy)acetic acid |...)
Show SMILES OC(=O)COc1ccc(Cl)cc1-c1cccc(c1)C#N
Show InChI InChI=1S/C15H10ClNO3/c16-12-4-5-14(20-9-15(18)19)13(7-12)11-3-1-2-10(6-11)8-17/h1-7H,9H2,(H,18,19)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 10n/an/an/an/an/an/a



AstraZeneca R&D Charnwood

Curated by ChEMBL


Assay Description
Antagonist activity at human CRTh2 receptor expressed in CHO cells assessed as inhibition of PGD2-induced calcium flux in presence of 1% bovine serum...


Bioorg Med Chem Lett 21: 3616-21 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.101
BindingDB Entry DOI: 10.7270/Q2S46S9Z
More data for this
Ligand-Target Pair