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BDBM50136542 CHEMBL3753282

SMILES: CC(C)Nc1cc(cc(C)n1)-c1nc(no1)-c1ccc(OC[C@H]2COC(=O)N2)c(C)n1

InChI Key: InChIKey=KMAJGFWVDUOCAM-GGYSOQFKNA-N

Data: 1 EC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50136542   
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 1


(Homo sapiens (Human))
BDBM50136542
PNG
(CHEMBL3753282)
Show SMILES CC(C)Nc1cc(cc(C)n1)-c1nc(no1)-c1ccc(OC[C@H]2COC(=O)N2)c(C)n1 |r|
Show InChI InChI=1/C21H24N6O4/c1-11(2)22-18-8-14(7-12(3)23-18)20-26-19(27-31-20)16-5-6-17(13(4)24-16)29-9-15-10-30-21(28)25-15/h5-8,11,15H,9-10H2,1-4H3,(H,22,23)(H,25,28)/t15-/s2
PDB

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PC cid
PC sid
UniChem
PubMed
n/an/an/an/a 7.90n/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at human S1P1 receptor expressed in EDG1-bla U2OS cells incubated for 18 hrs prior to GenBlazer substrate addition by beta-arrestin ...


Bioorg Med Chem Lett 26: 466-71 (2016)


BindingDB Entry DOI: 10.7270/Q2GX4DD4
More data for this
Ligand-Target Pair