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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 Ligand = 'BDBM313350'   
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


(Homo sapiens (Human))
BDBM313350
PNG
(US10166249, Example 584)
Show SMILES N[C@]1(COP(O)(O)=O)CC[C@@H](C1)c1ccc2C[C@@H](CCc2c1)OCCOCCC=C |r|
Show InChI InChI=1S/C22H34NO6P/c1-2-3-10-27-11-12-28-21-7-6-17-13-18(4-5-19(17)14-21)20-8-9-22(23,15-20)16-29-30(24,25)26/h2,4-5,13,20-21H,1,3,6-12,14-16,23H2,(H2,24,25,26)/t20-,21+,22+/m0/s1
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a<10n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
Membranes were prepared from CHO cells expressing human S1P1. Cells pellets (1×109 cells/pellet) were suspended in buffer containing 20 mM HEPES (4-(...


US Patent US10166249 (2019)


BindingDB Entry DOI: 10.7270/Q2S75JCM
More data for this
Ligand-Target Pair
Sphingosine-1-phosphate lyase 1


(Homo sapiens (Human))
BDBM313350
PNG
(US10166249, Example 584)
Show SMILES N[C@]1(COP(O)(O)=O)CC[C@@H](C1)c1ccc2C[C@@H](CCc2c1)OCCOCCC=C |r|
Show InChI InChI=1S/C22H34NO6P/c1-2-3-10-27-11-12-28-21-7-6-17-13-18(4-5-19(17)14-21)20-8-9-22(23,15-20)16-29-30(24,25)26/h2,4-5,13,20-21H,1,3,6-12,14-16,23H2,(H2,24,25,26)/t20-,21+,22+/m0/s1
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a<10n/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
Compounds were loaded in a 384 Falcon v-bottom plate (0.5 l/well in a 11 point, 3-fold dilution). Membranes prepared from S1P1/CHO cells or EDG3-Gal5...


US Patent US10166249 (2019)


BindingDB Entry DOI: 10.7270/Q2S75JCM
More data for this
Ligand-Target Pair