BindingDB logo
myBDB logout

BDBM128346 US8796280, 36

SMILES: FC(F)(F)c1ccccc1S(=O)(=O)Nc1nccnc1-c1ccc(CN2CCc3ccccc23)cc1

InChI Key: InChIKey=CWVVASYVCXSNNC-UHFFFAOYSA-N

Data: 1 KI

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 128346   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/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))
BDBM128346
PNG
(US8796280, 36)
Show SMILES FC(F)(F)c1ccccc1S(=O)(=O)Nc1nccnc1-c1ccc(CN2CCc3ccccc23)cc1
Show InChI InChI=1S/C26H23F3N4O2S/c27-26(28,29)21-6-2-4-8-23(21)36(34,35)32-25-24(30-14-15-31-25)20-11-9-18(10-12-20)17-33-16-13-19-5-1-3-7-22(19)33/h1-12,14-15,36H,13,16-17H2,(H2,31,32,34,35)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
2.69E+3 -7.59n/an/an/an/an/a7.425



Merck Serono, S.A.

US Patent


Assay Description
The compounds of the present invention inhibit the binding of PGD2 to its receptor CRTH2. The inhibitory activity can be investigated by a radioligan...


US Patent US8796280 (2014)


BindingDB Entry DOI: 10.7270/Q2RV0MCF
More data for this
Ligand-Target Pair