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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 = 'BDBM50401108'   
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))
BDBM50401108
PNG
(CHEMBL2205148)
Show SMILES Cc1c(-c2nn(CCOc3ccc(Cl)cc3)c(=O)c3ccccc23)c2cc(Cl)ccc2n1CC(O)=O |(7.71,-8.01,;6.17,-8.01,;5.26,-6.75,;6.03,-5.43,;7.57,-5.44,;8.35,-4.11,;9.89,-4.11,;10.65,-5.45,;12.19,-5.46,;12.96,-6.8,;12.18,-8.12,;12.94,-9.46,;14.48,-9.46,;15.25,-10.8,;15.26,-8.13,;14.49,-6.79,;7.58,-2.77,;8.36,-1.44,;6.04,-2.76,;5.27,-1.43,;3.73,-1.43,;2.96,-2.77,;3.73,-4.1,;5.27,-4.1,;3.78,-7.23,;2.45,-6.47,;1.12,-7.24,;-.22,-6.47,;1.12,-8.79,;2.45,-9.56,;3.78,-8.79,;5.26,-9.26,;5.73,-10.73,;4.7,-11.87,;3.19,-11.56,;5.18,-13.34,)|
Show InChI InChI=1S/C27H21Cl2N3O4/c1-16-25(22-14-18(29)8-11-23(22)31(16)15-24(33)34)26-20-4-2-3-5-21(20)27(35)32(30-26)12-13-36-19-9-6-17(28)7-10-19/h2-11,14H,12-13,15H2,1H3,(H,33,34)
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from recombinant human CRTH2 receptor expressed in CHO-K1 cells after 30 min by FRET method


J Med Chem 55: 5088-109 (2012)


Article DOI: 10.1021/jm300007n
BindingDB Entry DOI: 10.7270/Q2S75HH0
More data for this
Ligand-Target Pair