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BDBM155034 US9000044, 53

SMILES: COc1ccc(CN(C(C)C)S(=O)(=O)c2ccc(cc2)-c2c(C)c(CC(O)=O)cc3ccc(F)cc23)cc1

InChI Key: InChIKey=WNNVMAKRKNCZIZ-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 155034   
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))
BDBM155034
PNG
(US9000044, 53)
Show SMILES COc1ccc(CN(C(C)C)S(=O)(=O)c2ccc(cc2)-c2c(C)c(CC(O)=O)cc3ccc(F)cc23)cc1
Show InChI InChI=1S/C30H30FNO5S/c1-19(2)32(18-21-5-11-26(37-4)12-6-21)38(35,36)27-13-8-22(9-14-27)30-20(3)24(16-29(33)34)15-23-7-10-25(31)17-28(23)30/h5-15,17,19H,16,18H2,1-4H3,(H,33,34)
PDB

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PC sid
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Similars

US Patent
n/an/a 1.30n/an/an/an/an/an/a



Hoffmann-La Roche Inc

US Patent


Assay Description
Cell Culture Conditions: CHO-K1 cells previously transfected with G-alpha 16 were subsequently transfected with the human CRTH2 receptor and the neom...


US Patent US9000044 (2015)


BindingDB Entry DOI: 10.7270/Q2319TM9
More data for this
Ligand-Target Pair