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BDBM50364411 CHEMBL1950482

SMILES: OC(=O)c1ccc(-c2nc3ccc(nc3s2)C2(CC2)c2ccccc2)c(F)c1

InChI Key: InChIKey=QZEFMXVLUXINLH-UHFFFAOYSA-N

Data: 2 EC50

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50364411   
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 3


(Homo sapiens (Human))
BDBM50364411
PNG
(CHEMBL1950482)
Show SMILES OC(=O)c1ccc(-c2nc3ccc(nc3s2)C2(CC2)c2ccccc2)c(F)c1
Show InChI InChI=1S/C22H15FN2O2S/c23-16-12-13(21(26)27)6-7-15(16)19-24-17-8-9-18(25-20(17)28-19)22(10-11-22)14-4-2-1-3-5-14/h1-9,12H,10-11H2,(H,26,27)
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Article
PubMed
n/an/an/an/a>2.50E+4n/an/an/an/a



Amgen Inc

Curated by ChEMBL


Assay Description
Agonist activity at human S1P3 receptor expressed in CHO cells coexpressing chimeric Gq/i5 G-protein assessed as Ca2+ release by FLIPR assay


Bioorg Med Chem Lett 22: 1779-83 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.073
BindingDB Entry DOI: 10.7270/Q23R0TBJ
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50364411
PNG
(CHEMBL1950482)
Show SMILES OC(=O)c1ccc(-c2nc3ccc(nc3s2)C2(CC2)c2ccccc2)c(F)c1
Show InChI InChI=1S/C22H15FN2O2S/c23-16-12-13(21(26)27)6-7-15(16)19-24-17-8-9-18(25-20(17)28-19)22(10-11-22)14-4-2-1-3-5-14/h1-9,12H,10-11H2,(H,26,27)
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antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/an/an/a 2.82E+3n/an/an/an/a



Amgen Inc

Curated by ChEMBL


Assay Description
Agonist activity at eGFP-tagged human S1P1 receptor expressed in U2OS cells assessed as receptor internalization after 1 hr by Hoechst dye-based micr...


Bioorg Med Chem Lett 22: 1779-83 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.073
BindingDB Entry DOI: 10.7270/Q23R0TBJ
More data for this
Ligand-Target Pair