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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'G protein-coupled receptor 44' and Ligand = 'BDBM50006827'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/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))
BDBM50006827
PNG
(CHEMBL3236949)
Show SMILES Cc1c(-c2cn(CC(F)(F)F)c(=O)c3ccccc23)c2cc(F)ccc2n1CC(O)=O |(7.05,-54.88,;5.58,-55.35,;4.34,-54.45,;4.34,-52.9,;5.68,-52.13,;5.68,-50.59,;7.02,-49.82,;8.36,-50.59,;8.36,-52.14,;9.7,-49.82,;9.45,-51.68,;4.34,-49.81,;4.34,-48.27,;3,-50.6,;1.67,-49.83,;.34,-50.6,;.35,-52.15,;1.68,-52.91,;3,-52.14,;3.09,-55.36,;1.58,-55.04,;.55,-56.18,;-.96,-55.86,;1.03,-57.65,;2.53,-57.96,;3.56,-56.82,;5.1,-56.82,;6.01,-58.08,;7.55,-57.92,;8.18,-56.5,;8.46,-59.17,)|
Show InChI InChI=1S/C22H16F4N2O3/c1-12-20(16-8-13(23)6-7-18(16)28(12)10-19(29)30)17-9-27(11-22(24,25)26)21(31)15-5-3-2-4-14(15)17/h2-9H,10-11H2,1H3,(H,29,30)
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UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 4n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant CRTh2 expressed in CHO-K1 cells by cAMP TR FRET assay


J Med Chem 57: 1299-322 (2014)


Article DOI: 10.1021/jm401509e
BindingDB Entry DOI: 10.7270/Q21V5GGH
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50006827
PNG
(CHEMBL3236949)
Show SMILES Cc1c(-c2cn(CC(F)(F)F)c(=O)c3ccccc23)c2cc(F)ccc2n1CC(O)=O |(7.05,-54.88,;5.58,-55.35,;4.34,-54.45,;4.34,-52.9,;5.68,-52.13,;5.68,-50.59,;7.02,-49.82,;8.36,-50.59,;8.36,-52.14,;9.7,-49.82,;9.45,-51.68,;4.34,-49.81,;4.34,-48.27,;3,-50.6,;1.67,-49.83,;.34,-50.6,;.35,-52.15,;1.68,-52.91,;3,-52.14,;3.09,-55.36,;1.58,-55.04,;.55,-56.18,;-.96,-55.86,;1.03,-57.65,;2.53,-57.96,;3.56,-56.82,;5.1,-56.82,;6.01,-58.08,;7.55,-57.92,;8.18,-56.5,;8.46,-59.17,)|
Show InChI InChI=1S/C22H16F4N2O3/c1-12-20(16-8-13(23)6-7-18(16)28(12)10-19(29)30)17-9-27(11-22(24,25)26)21(31)15-5-3-2-4-14(15)17/h2-9H,10-11H2,1H3,(H,29,30)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 19n/an/an/an/an/a25



Pfizer Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at CRTh2 in human peripheral blood assessed as inhibition of PGD2-induced eosinophil shape change at room temperature by flow cyt...


J Med Chem 57: 1299-322 (2014)


Article DOI: 10.1021/jm401509e
BindingDB Entry DOI: 10.7270/Q21V5GGH
More data for this
Ligand-Target Pair