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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 = 'BDBM50309417'   
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))
BDBM50309417
PNG
(2-(4-(4-bromophenyl)-2-(naphthalen-2-ylamino)thiaz...)
Show SMILES OC(=O)Cc1sc(Nc2ccc3ccccc3c2)nc1-c1ccc(Br)cc1
Show InChI InChI=1S/C21H15BrN2O2S/c22-16-8-5-14(6-9-16)20-18(12-19(25)26)27-21(24-20)23-17-10-7-13-3-1-2-4-15(13)11-17/h1-11H,12H2,(H,23,24)(H,25,26)
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PC sid
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Article
PubMed
n/an/a 220n/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))
BDBM50309417
PNG
(2-(4-(4-bromophenyl)-2-(naphthalen-2-ylamino)thiaz...)
Show SMILES OC(=O)Cc1sc(Nc2ccc3ccccc3c2)nc1-c1ccc(Br)cc1
Show InChI InChI=1S/C21H15BrN2O2S/c22-16-8-5-14(6-9-16)20-18(12-19(25)26)27-21(24-20)23-17-10-7-13-3-1-2-4-15(13)11-17/h1-11H,12H2,(H,23,24)(H,25,26)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 370n/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