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BDBM50315816 2-Amino-4-(2'-fluoro-4'-phenylthiobiphenyl-4-yl)-2-(phosphoryloxymethyl)butanol::CHEMBL1092286

SMILES: NC(CO)(CCc1ccc(cc1)-c1ccc(Sc2ccccc2)cc1F)COP(O)(O)=O

InChI Key: InChIKey=ARGUPDFFGZRWBD-UHFFFAOYSA-N

Data: 2 EC50

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50315816   
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))
BDBM50315816
PNG
(2-Amino-4-(2'-fluoro-4'-phenylthiobiphenyl-4-yl)-2...)
Show SMILES NC(CO)(CCc1ccc(cc1)-c1ccc(Sc2ccccc2)cc1F)COP(O)(O)=O
Show InChI InChI=1S/C23H25FNO5PS/c24-22-14-20(32-19-4-2-1-3-5-19)10-11-21(22)18-8-6-17(7-9-18)12-13-23(25,15-26)16-30-31(27,28)29/h1-11,14,26H,12-13,15-16,25H2,(H2,27,28,29)
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PC sid
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Similars

Article
PubMed
n/an/an/an/a 4.90n/an/an/an/a



Mitsubishi Tanabe Pharma Corporation

Curated by ChEMBL


Assay Description
Agonist activity at human S1P3 receptor expressed in CHO cells assessed as intracellular calcium mobilization


J Med Chem 53: 3154-68 (2010)


Article DOI: 10.1021/jm901776q
BindingDB Entry DOI: 10.7270/Q2HH6K7W
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50315816
PNG
(2-Amino-4-(2'-fluoro-4'-phenylthiobiphenyl-4-yl)-2...)
Show SMILES NC(CO)(CCc1ccc(cc1)-c1ccc(Sc2ccccc2)cc1F)COP(O)(O)=O
Show InChI InChI=1S/C23H25FNO5PS/c24-22-14-20(32-19-4-2-1-3-5-19)10-11-21(22)18-8-6-17(7-9-18)12-13-23(25,15-26)16-30-31(27,28)29/h1-11,14,26H,12-13,15-16,25H2,(H2,27,28,29)
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UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/an/an/a 3.60n/an/an/an/a



Mitsubishi Tanabe Pharma Corporation

Curated by ChEMBL


Assay Description
Agonist activity at human S1P1 receptor expressed in human Chem1 cells assessed as intracellular calcium mobilization


J Med Chem 53: 3154-68 (2010)


Article DOI: 10.1021/jm901776q
BindingDB Entry DOI: 10.7270/Q2HH6K7W
More data for this
Ligand-Target Pair