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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 = 'BDBM50420131'   
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))
BDBM50420131
PNG
(CHEMBL2059526)
Show SMILES CCc1c(CCCC(O)=O)cccc1-c1c[nH]c(n1)-c1ccc(OC(C)C)c(c1)C#N
Show InChI InChI=1S/C25H27N3O3/c1-4-20-17(8-6-10-24(29)30)7-5-9-21(20)22-15-27-25(28-22)18-11-12-23(31-16(2)3)19(13-18)14-26/h5,7,9,11-13,15-16H,4,6,8,10H2,1-3H3,(H,27,28)(H,29,30)
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PC cid
PC sid
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Similars

Article
PubMed
n/an/an/an/a>1.00E+4n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity against S1P1 receptor by cell based FRET assay


J Med Chem 55: 4286-96 (2012)


Article DOI: 10.1021/jm2016107
BindingDB Entry DOI: 10.7270/Q2F190SQ
More data for this
Ligand-Target Pair