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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'G protein-coupled receptor 44' and Ligand = 'BDBM124826'   
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
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM124826
PNG
(US8759386, 23)
Show SMILES CCc1nn(Cc2ccc(NC(=O)c3cc4cc(F)ccc4[nH]3)cc2)c(CC)c1CC(O)=O
Show InChI InChI=1S/C25H25FN4O3/c1-3-20-19(13-24(31)32)23(4-2)30(29-20)14-15-5-8-18(9-6-15)27-25(33)22-12-16-11-17(26)7-10-21(16)28-22/h5-12,28H,3-4,13-14H2,1-2H3,(H,27,33)(H,31,32)
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PC cid
PC sid
UniChem
US Patent
0.300 -54.4n/an/an/an/an/a7.425



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 US8759386 (2014)

More data for this
Ligand-Target Pair