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BDBM50143193 CHEMBL3759551

SMILES: CC(C)CC1(O)CCN(CC1)C(=O)Nc1cc(Oc2ccc(cc2)C(O)=O)cc(Oc2ccc(F)cc2F)c1

InChI Key: InChIKey=AAAQLZOAUALGQJ-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50143193   
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
Sphingosine 1-phosphate receptor 2


(Homo sapiens (Human))
BDBM50143193
PNG
(CHEMBL3759551)
Show SMILES CC(C)CC1(O)CCN(CC1)C(=O)Nc1cc(Oc2ccc(cc2)C(O)=O)cc(Oc2ccc(F)cc2F)c1
Show InChI InChI=1S/C29H30F2N2O6/c1-18(2)17-29(37)9-11-33(12-10-29)28(36)32-21-14-23(38-22-6-3-19(4-7-22)27(34)35)16-24(15-21)39-26-8-5-20(30)13-25(26)31/h3-8,13-16,18,37H,9-12,17H2,1-2H3,(H,32,36)(H,34,35)
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Similars

PubMed
n/an/a 20n/an/an/an/an/an/a



Ono Pharmaceutical Co.

Curated by ChEMBL


Assay Description
Antagonist activity at S1P2 receptor (unknown origin) expressed in CHO cells assessed as inhibition of S1P-induced increase in intracellular calcium ...


Bioorg Med Chem Lett 26: 1209-13 (2016)


BindingDB Entry DOI: 10.7270/Q2ST7RQ6
More data for this
Ligand-Target Pair