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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Sphingosine 1-phosphate receptor 1' and Ligand = 'BDBM50165408'   
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))
BDBM50165408
PNG
(CHEMBL3798240)
Show SMILES CCCN(C)Cc1cc(C)cc(c1)-c1nc(no1)-c1cc(C)c(OC[C@@H](O)CNC(=O)CO)c(CC)c1 |r|
Show InChI InChI=1/C28H38N4O5/c1-6-8-32(5)15-20-9-18(3)10-23(12-20)28-30-27(31-37-28)22-11-19(4)26(21(7-2)13-22)36-17-24(34)14-29-25(35)16-33/h9-13,24,33-34H,6-8,14-17H2,1-5H3,(H,29,35)/t24-/s2
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PC cid
PC sid
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PubMed
n/an/an/an/a 4.10n/an/an/an/a



Actelion Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant S1PR1 expressed in CHO cell membranes assessed as [35S]GTPgammaS binding preincubated for 30 mins followed by [...


Eur J Med Chem 116: 222-238 (2016)


BindingDB Entry DOI: 10.7270/Q2ST7RRN
More data for this
Ligand-Target Pair