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Compile Data Set for Download or QSAR

Found 2 hits of ec50 for monomerid = 50336952   
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 3


(Homo sapiens (Human))
BDBM50336952
PNG
(1-(4-(5-Benzyl-2H-indazol-2-yl)-3-fluorobenzyl)aze...)
Show SMILES OC(=O)C1CN(Cc2ccc(c(F)c2)-n2cc3cc(Cc4ccccc4)ccc3n2)C1
Show InChI InChI=1S/C25H22FN3O2/c26-22-12-19(13-28-14-21(15-28)25(30)31)7-9-24(22)29-16-20-11-18(6-8-23(20)27-29)10-17-4-2-1-3-5-17/h1-9,11-12,16,21H,10,13-15H2,(H,30,31)
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Article
PubMed
n/an/an/an/a 1.11E+3n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Agonist activity at human S1P3 receptor expressed in CHO-K1 cells co-expressing Gq/i5 G-protein assessed as calcium mobilization by FLIPR assay


ACS Med Chem Lett 2: 102-106 (2011)


Article DOI: 10.1021/ml100228m
BindingDB Entry DOI: 10.7270/Q2T72HR9
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50336952
PNG
(1-(4-(5-Benzyl-2H-indazol-2-yl)-3-fluorobenzyl)aze...)
Show SMILES OC(=O)C1CN(Cc2ccc(c(F)c2)-n2cc3cc(Cc4ccccc4)ccc3n2)C1
Show InChI InChI=1S/C25H22FN3O2/c26-22-12-19(13-28-14-21(15-28)25(30)31)7-9-24(22)29-16-20-11-18(6-8-23(20)27-29)10-17-4-2-1-3-5-17/h1-9,11-12,16,21H,10,13-15H2,(H,30,31)
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UniChem

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Article
PubMed
n/an/an/an/a 2.89E+3n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Agonist activity at human S1P1 receptor expressed in human U2OS cells co-expressing eGFP assessed as receptor internalization after 1 hr


ACS Med Chem Lett 2: 102-106 (2011)


Article DOI: 10.1021/ml100228m
BindingDB Entry DOI: 10.7270/Q2T72HR9
More data for this
Ligand-Target Pair