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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 = 'BDBM124858'   
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))
BDBM124858
PNG
(US8759386, 55)
Show SMILES CCCCn1c(cc2cc(F)ccc12)C(=O)Nc1ccc(Cn2nc(C)c(CC(O)=O)c2C)c(F)c1
Show InChI InChI=1S/C27H28F2N4O3/c1-4-5-10-32-24-9-7-20(28)11-19(24)12-25(32)27(36)30-21-8-6-18(23(29)13-21)15-33-17(3)22(14-26(34)35)16(2)31-33/h6-9,11-13H,4-5,10,14-15H2,1-3H3,(H,30,36)(H,34,35)
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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