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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Sphingosine-1-phosphate lyase 1' AND taxid = 10090   
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 lyase 1


(Mus musculus)
BDBM50268100
PNG
(CHEMBL491458 | N-(4-(1H-imidazol-1-yl)benzyl)-4-am...)
Show SMILES Nc1nc(nc2n(CC3CCCO3)cc(C(=O)NCc3ccc(cc3)-n3ccnc3)c(=O)c12)N1CCCCC1
Show InChI InChI=1S/C28H32N8O3/c29-25-23-24(37)22(27(38)31-15-19-6-8-20(9-7-19)35-13-10-30-18-35)17-36(16-21-5-4-14-39-21)26(23)33-28(32-25)34-11-2-1-3-12-34/h6-10,13,17-18,21H,1-5,11-12,14-16H2,(H,31,38)(H2,29,32,33)
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.10E+3n/an/an/an/an/an/a



Princ

Curated by ChEMBL


Assay Description
Inhibition of sphingosine-1-phosphate lyase in mouse spleen by scintillation counting


J Med Chem 52: 3941-53 (2009)


Article DOI: 10.1021/jm900278w
BindingDB Entry DOI: 10.7270/Q2QZ29WX
More data for this
Ligand-Target Pair
Sphingosine-1-phosphate lyase 1


(Mus musculus)
BDBM50158336
PNG
(2-(4-octylphenethyl)-2-aminopropane-1,3-diol | 2-A...)
Show SMILES CCCCCCCCc1ccc(CCC(N)(CO)CO)cc1
Show InChI InChI=1S/C19H33NO2/c1-2-3-4-5-6-7-8-17-9-11-18(12-10-17)13-14-19(20,15-21)16-22/h9-12,21-22H,2-8,13-16,20H2,1H3
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MCE
PC cid
PC sid
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Patents


Similars

Article
PubMed
n/an/a 5.24E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of mouse liver microsomal S1PL using S1P as substrate incubated for 20 mins by ESI-LC/MS analysis


Citation and Details

Article DOI: 10.1016/j.ejmech.2016.08.008
BindingDB Entry DOI: 10.7270/Q29W0K5N
More data for this
Ligand-Target Pair