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BDBM50507187 CHEMBL4579553

SMILES: OC(=O)CCNCc1ccc2sc(cc2c1)-c1ccc(-c2ccccc2)c(c1)C(F)(F)F

InChI Key: InChIKey=SKYYWSWIUKISCX-UHFFFAOYSA-N

Data: 1 EC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50507187   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50507187
PNG
(CHEMBL4579553)
Show SMILES OC(=O)CCNCc1ccc2sc(cc2c1)-c1ccc(-c2ccccc2)c(c1)C(F)(F)F
Show InChI InChI=1S/C25H20F3NO2S/c26-25(27,28)21-13-18(7-8-20(21)17-4-2-1-3-5-17)23-14-19-12-16(6-9-22(19)32-23)15-29-11-10-24(30)31/h1-9,12-14,29H,10-11,15H2,(H,30,31)
PDB

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PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 1.20n/an/an/an/a



The University of Arizona

Curated by ChEMBL


Assay Description
Activation of human recombinant S1P1 expressed in CHO cell membranes after 120 mins by GTP-gamma-35S-binding assay


Bioorg Med Chem Lett 28: 3585-3591 (2018)


Article DOI: 10.1016/j.bmcl.2018.10.042
More data for this
Ligand-Target Pair