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BDBM50203766 (4R)-2-(3-((4-chloro-2-isopropyl-6-methylphenoxy)methyl)-4-methoxyphenyl)thiazolidine-4-carboxylic acid::CHEMBL218126

SMILES: COc1ccc(cc1COc1c(C)cc(Cl)cc1C(C)C)C1N[C@@H](CS1)C(O)=O

InChI Key: InChIKey=YNLQBLLKNVJCCJ-YMXDCFFPSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50203766   
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 3


(Homo sapiens (Human))
BDBM50203766
PNG
((4R)-2-(3-((4-chloro-2-isopropyl-6-methylphenoxy)m...)
Show SMILES COc1ccc(cc1COc1c(C)cc(Cl)cc1C(C)C)C1N[C@@H](CS1)C(O)=O
Show InChI InChI=1S/C22H26ClNO4S/c1-12(2)17-9-16(23)7-13(3)20(17)28-10-15-8-14(5-6-19(15)27-4)21-24-18(11-29-21)22(25)26/h5-9,12,18,21,24H,10-11H2,1-4H3,(H,25,26)/t18-,21?/m0/s1
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a>2.00E+4n/an/an/an/an/an/a



TOA EIYO Ltd.

Curated by ChEMBL


Assay Description
Antagonist activity against human S1P3 receptor assessed as inhibition of S1P-induced intracellular calcium mobilization in CHO-K1 cells


J Med Chem 50: 442-54 (2007)


Article DOI: 10.1021/jm060834d
BindingDB Entry DOI: 10.7270/Q2NG4Q84
More data for this
Ligand-Target Pair