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Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'G protein-coupled receptor 44' and Ligand = 'BDBM50296846'   
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))
BDBM50296846
PNG
(2-(1-(4-fluoro-3-methoxyphenylsulfonyl)-2-methyl-1...)
Show SMILES COc1cc(ccc1F)S(=O)(=O)n1c(C)c(CC(O)=O)c2cccnc12
Show InChI InChI=1S/C17H15FN2O5S/c1-10-13(9-16(21)22)12-4-3-7-19-17(12)20(10)26(23,24)11-5-6-14(18)15(8-11)25-2/h3-8H,9H2,1-2H3,(H,21,22)
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56n/an/an/an/an/an/an/an/a



Novartis Institutes of Biomedical Research

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from human CRTh2 receptor expressed in CHO cells


Bioorg Med Chem Lett 19: 4794-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.042
BindingDB Entry DOI: 10.7270/Q2BK1CCF
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50296846
PNG
(2-(1-(4-fluoro-3-methoxyphenylsulfonyl)-2-methyl-1...)
Show SMILES COc1cc(ccc1F)S(=O)(=O)n1c(C)c(CC(O)=O)c2cccnc12
Show InChI InChI=1S/C17H15FN2O5S/c1-10-13(9-16(21)22)12-4-3-7-19-17(12)20(10)26(23,24)11-5-6-14(18)15(8-11)25-2/h3-8H,9H2,1-2H3,(H,21,22)
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n/an/a 18n/an/an/an/an/an/a



Novartis Institutes of Biomedical Research

Curated by ChEMBL


Assay Description
Antagonist activity against CRTh2 receptor in human eosinophils assessed as cell shape change


Bioorg Med Chem Lett 19: 4794-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.042
BindingDB Entry DOI: 10.7270/Q2BK1CCF
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50296846
PNG
(2-(1-(4-fluoro-3-methoxyphenylsulfonyl)-2-methyl-1...)
Show SMILES COc1cc(ccc1F)S(=O)(=O)n1c(C)c(CC(O)=O)c2cccnc12
Show InChI InChI=1S/C17H15FN2O5S/c1-10-13(9-16(21)22)12-4-3-7-19-17(12)20(10)26(23,24)11-5-6-14(18)15(8-11)25-2/h3-8H,9H2,1-2H3,(H,21,22)
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n/an/a 91n/an/an/an/an/an/a



Novartis Institutes of Biomedical Research

Curated by ChEMBL


Assay Description
Antagonist activity against human CRTh2 receptor expressed in CHO cells assessed as effect on cAMP accumulation


Bioorg Med Chem Lett 19: 4794-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.042
BindingDB Entry DOI: 10.7270/Q2BK1CCF
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50296846
PNG
(2-(1-(4-fluoro-3-methoxyphenylsulfonyl)-2-methyl-1...)
Show SMILES COc1cc(ccc1F)S(=O)(=O)n1c(C)c(CC(O)=O)c2cccnc12
Show InChI InChI=1S/C17H15FN2O5S/c1-10-13(9-16(21)22)12-4-3-7-19-17(12)20(10)26(23,24)11-5-6-14(18)15(8-11)25-2/h3-8H,9H2,1-2H3,(H,21,22)
Reactome pathway
KEGG

UniProtKB/SwissProt

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PC cid
PC sid
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n/an/a 156n/an/an/an/an/an/a



Novartis Institutes of Biomedical Research

Curated by ChEMBL


Assay Description
Antagonist activity against CRTh2 receptor in human whole blood assessed as eosinophil shape change


Bioorg Med Chem Lett 19: 4794-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.042
BindingDB Entry DOI: 10.7270/Q2BK1CCF
More data for this
Ligand-Target Pair