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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 = 'BDBM127163'   
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))
BDBM127163
PNG
(US8791272, 2.39)
Show SMILES CCCc1nn(Cc2ccc(NC(=O)c3ccccc3)cc2)c(C(C)C)c1CC(O)=O
Show InChI InChI=1S/C25H29N3O3/c1-4-8-22-21(15-23(29)30)24(17(2)3)28(27-22)16-18-11-13-20(14-12-18)26-25(31)19-9-6-5-7-10-19/h5-7,9-14,17H,4,8,15-16H2,1-3H3,(H,26,31)(H,29,30)
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Similars

US Patent
1.60n/an/an/an/an/an/a7.4n/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
The CRTH2 receptor binding assay is performed in a scintillation proximity assay (SPA) format with the radioligand [3H]-PGD2 (Perkin Elmer, NET616000...


US Patent US8791272 (2014)


BindingDB Entry DOI: 10.7270/Q2GH9GNV
More data for this
Ligand-Target Pair