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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 = 'BDBM50309435'   
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))
BDBM50309435
PNG
(2-(4-phenyl-2-(phenylamino)thiazol-5-yl)acetic aci...)
Show SMILES OC(=O)Cc1sc(Nc2ccccc2)nc1-c1ccccc1
Show InChI InChI=1S/C17H14N2O2S/c20-15(21)11-14-16(12-7-3-1-4-8-12)19-17(22-14)18-13-9-5-2-6-10-13/h1-10H,11H2,(H,18,19)(H,20,21)
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CHEMBL
MCE
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 350n/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 african green monkey COS7 cells


Bioorg Med Chem Lett 20: 1177-80 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.008
BindingDB Entry DOI: 10.7270/Q25T3KMP
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Homo sapiens (Human))
BDBM50309435
PNG
(2-(4-phenyl-2-(phenylamino)thiazol-5-yl)acetic aci...)
Show SMILES OC(=O)Cc1sc(Nc2ccccc2)nc1-c1ccccc1
Show InChI InChI=1S/C17H14N2O2S/c20-15(21)11-14-16(12-7-3-1-4-8-12)19-17(22-14)18-13-9-5-2-6-10-13/h1-10H,11H2,(H,18,19)(H,20,21)
PDB

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KEGG

UniProtKB/SwissProt

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antibodypedia
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CHEMBL
MCE
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.50E+3n/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: 1177-80 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.008
BindingDB Entry DOI: 10.7270/Q25T3KMP
More data for this
Ligand-Target Pair