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Compile Data Set for Download or QSAR

Found 2 hits of ec50 for monomerid = 50164824   
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 1


(Homo sapiens (Human))
BDBM50164824
PNG
(CHEMBL3799872)
Show SMILES CCc1cc(cc(C)c1OC[C@@H](O)CNC(=O)CO)-c1noc(n1)-c1cc(CC(C)C)nc(OC)c1 |r|
Show InChI InChI=1S/C26H34N4O6/c1-6-17-9-18(8-16(4)24(17)35-14-21(32)12-27-22(33)13-31)25-29-26(36-30-25)19-10-20(7-15(2)3)28-23(11-19)34-5/h8-11,15,21,31-32H,6-7,12-14H2,1-5H3,(H,27,33)/t21-/m0/s1
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Article
PubMed
n/an/an/an/a 0.300n/an/an/an/a



Actelion Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant S1PR1 expressed in CHO cell membranes incubated for 30 mins by [35S]GTPgammaS binding assay in presence of GDP


Eur J Med Chem 115: 326-41 (2016)


Article DOI: 10.1016/j.ejmech.2016.03.020
BindingDB Entry DOI: 10.7270/Q2M90BK2
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM50164824
PNG
(CHEMBL3799872)
Show SMILES CCc1cc(cc(C)c1OC[C@@H](O)CNC(=O)CO)-c1noc(n1)-c1cc(CC(C)C)nc(OC)c1 |r|
Show InChI InChI=1S/C26H34N4O6/c1-6-17-9-18(8-16(4)24(17)35-14-21(32)12-27-22(33)13-31)25-29-26(36-30-25)19-10-20(7-15(2)3)28-23(11-19)34-5/h8-11,15,21,31-32H,6-7,12-14H2,1-5H3,(H,27,33)/t21-/m0/s1
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PC cid
PC sid
UniChem

Patents


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Article
PubMed
n/an/an/an/a 27n/an/an/an/a



Actelion Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant S1PR3 expressed in CHO cell membranes incubated for 30 mins by [35S]GTPgammaS binding assay in presence of GDP


Eur J Med Chem 115: 326-41 (2016)


Article DOI: 10.1016/j.ejmech.2016.03.020
BindingDB Entry DOI: 10.7270/Q2M90BK2
More data for this
Ligand-Target Pair