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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Prostaglandin D2 receptor 2' and Ligand = 'BDBM50296845'   
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
Prostaglandin D2 receptor 2


(Homo sapiens (Human))
BDBM50296845
PNG
(2-(1-(3-chloro-4-fluorophenylsulfonyl)-2-methyl-1H...)
Show SMILES Cc1c(CC(O)=O)c2cccnc2n1S(=O)(=O)c1ccc(F)c(Cl)c1
Show InChI InChI=1S/C16H12ClFN2O4S/c1-9-12(8-15(21)22)11-3-2-6-19-16(11)20(9)25(23,24)10-4-5-14(18)13(17)7-10/h2-7H,8H2,1H3,(H,21,22)
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Article
PubMed
158n/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
Prostaglandin D2 receptor 2


(Homo sapiens (Human))
BDBM50296845
PNG
(2-(1-(3-chloro-4-fluorophenylsulfonyl)-2-methyl-1H...)
Show SMILES Cc1c(CC(O)=O)c2cccnc2n1S(=O)(=O)c1ccc(F)c(Cl)c1
Show InChI InChI=1S/C16H12ClFN2O4S/c1-9-12(8-15(21)22)11-3-2-6-19-16(11)20(9)25(23,24)10-4-5-14(18)13(17)7-10/h2-7H,8H2,1H3,(H,21,22)
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Article
PubMed
n/an/a 50n/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
Prostaglandin D2 receptor 2


(Homo sapiens (Human))
BDBM50296845
PNG
(2-(1-(3-chloro-4-fluorophenylsulfonyl)-2-methyl-1H...)
Show SMILES Cc1c(CC(O)=O)c2cccnc2n1S(=O)(=O)c1ccc(F)c(Cl)c1
Show InChI InChI=1S/C16H12ClFN2O4S/c1-9-12(8-15(21)22)11-3-2-6-19-16(11)20(9)25(23,24)10-4-5-14(18)13(17)7-10/h2-7H,8H2,1H3,(H,21,22)
PDB

Reactome pathway
KEGG

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GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 311n/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