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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Prostaglandin D2 receptor 2' and Ligand = 'BDBM50309283'   
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))
BDBM50309283
PNG
(2-(2-(bis(4-fluorophenyl)methyl)-4-phenylthiazol-5...)
Show SMILES OC(=O)Cc1sc(nc1-c1ccccc1)C(c1ccc(F)cc1)c1ccc(F)cc1
Show InChI InChI=1S/C24H17F2NO2S/c25-18-10-6-15(7-11-18)22(16-8-12-19(26)13-9-16)24-27-23(17-4-2-1-3-5-17)20(30-24)14-21(28)29/h1-13,22H,14H2,(H,28,29)
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PC cid
PC sid
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Similars

Article
PubMed
n/an/a 16n/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 HEK385-7 cells


Bioorg Med Chem Lett 20: 1181-5 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.015
BindingDB Entry DOI: 10.7270/Q2PR7W35
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Homo sapiens (Human))
BDBM50309283
PNG
(2-(2-(bis(4-fluorophenyl)methyl)-4-phenylthiazol-5...)
Show SMILES OC(=O)Cc1sc(nc1-c1ccccc1)C(c1ccc(F)cc1)c1ccc(F)cc1
Show InChI InChI=1S/C24H17F2NO2S/c25-18-10-6-15(7-11-18)22(16-8-12-19(26)13-9-16)24-27-23(17-4-2-1-3-5-17)20(30-24)14-21(28)29/h1-13,22H,14H2,(H,28,29)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 240n/an/an/an/an/an/a



7TM Pharma A/S

Curated by ChEMBL


Assay Description
Antagonist activity at human CRTH2 receptor expressed in HEK285-7 cells assessed as inhibition of beta arrestin translocation by bioluminescence reso...


Bioorg Med Chem Lett 20: 1181-5 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.015
BindingDB Entry DOI: 10.7270/Q2PR7W35
More data for this
Ligand-Target Pair