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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 = 'BDBM50449283'   
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))
BDBM50449283
PNG
(CHEMBL3125321)
Show SMILES C[C@@]1(CC(=NO1)c1ccc2c(c1)nc(CCCCC(O)=O)n(-c1ccc(F)cc1)c2=O)c1nc2ccccc2s1 |r,c:3|
Show InChI InChI=1S/C30H25FN4O4S/c1-30(29-33-22-6-2-3-7-25(22)40-29)17-24(34-39-30)18-10-15-21-23(16-18)32-26(8-4-5-9-27(36)37)35(28(21)38)20-13-11-19(31)12-14-20/h2-3,6-7,10-16H,4-5,8-9,17H2,1H3,(H,36,37)/t30-/m1/s1
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PC cid
PC sid
UniChem
Article
PubMed
5.60n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human CRTH2 receptor expressed in CHO-1 cells assessed as inhibition of PGD2-induced Ca2+ flux preincubated for 30 mins follow...


Bioorg Med Chem Lett 24: 1615-20 (2014)


Article DOI: 10.1016/j.bmcl.2014.01.043
BindingDB Entry DOI: 10.7270/Q2JQ12G9
More data for this
Ligand-Target Pair