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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Prostaglandin D2 receptor 2' and Ligand = 'BDBM50233534'   
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))
BDBM50233534
PNG
(CHEMBL4078419)
Show SMILES Cc1c(CC(O)=O)c2cc(C)cnc2n1Cc1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C19H20N2O4S/c1-12-8-17-16(9-18(22)23)13(2)21(19(17)20-10-12)11-14-4-6-15(7-5-14)26(3,24)25/h4-8,10H,9,11H2,1-3H3,(H,22,23)
PDB

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PC cid
PC sid
UniChem
Article
PubMed
1.34E+3n/an/an/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from human DP2 receptor expressed in CHO cell membranes after 60 mins by scintillation proximity assay


ACS Med Chem Lett 8: 582-586 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00157
BindingDB Entry DOI: 10.7270/Q2TH8PXN
More data for this
Ligand-Target Pair