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Compile Data Set for Download or QSAR

Found 1 hit of ec50 for monomerid = 50380346   
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
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50380346
PNG
(CHEMBL2017809)
Show SMILES COc1ccccc1C(=O)NC(=O)Nc1ccc(-c2nccs2)c(c1)C(F)(F)F
Show InChI InChI=1S/C19H14F3N3O3S/c1-28-15-5-3-2-4-13(15)16(26)25-18(27)24-11-6-7-12(17-23-8-9-29-17)14(10-11)19(20,21)22/h2-10H,1H3,(H2,24,25,26,27)
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 38n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Agonist activity at human S1P1 expressed in U2OS cells coexpressing eGFP assessed as receptor internalisation after 1 hr by microscopic analysis


ACS Med Chem Lett 2: 752-757 (2011)


Article DOI: 10.1021/ml2001399
BindingDB Entry DOI: 10.7270/Q21837G0
More data for this
Ligand-Target Pair