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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 = 'BDBM124845'   
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))
BDBM124845
PNG
(US8759386, 42)
Show SMILES CCCn1c(cc2ccc(F)cc12)C(=O)Nc1ccc(Cn2nc(C)c(CC(O)=O)c2C)c(F)c1
Show InChI InChI=1S/C26H26F2N4O3/c1-4-9-31-23-11-19(27)7-5-17(23)10-24(31)26(35)29-20-8-6-18(22(28)12-20)14-32-16(3)21(13-25(33)34)15(2)30-32/h5-8,10-12H,4,9,13-14H2,1-3H3,(H,29,35)(H,33,34)
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PC cid
PC sid
UniChem
US Patent
0.100 -57.1n/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