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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 = 'BDBM65146'   
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))
BDBM65146
PNG
(US10166249, Example 500 | US9522888, 500)
Show SMILES CC(C)CN(C)C(=O)c1cccc(OC[C@@H]2CCc3cc(ccc3C2)[C@H]2CC[C@](N)(COP(O)(O)=O)C2)c1 |r|
Show InChI InChI=1S/C29H41N2O6P/c1-20(2)17-31(3)28(32)25-5-4-6-27(15-25)36-18-21-7-8-23-14-24(10-9-22(23)13-21)26-11-12-29(30,16-26)19-37-38(33,34)35/h4-6,9-10,14-15,20-21,26H,7-8,11-13,16-19,30H2,1-3H3,(H2,33,34,35)/t21-,26+,29-/m1/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
hS1P1/CHO cells were plated into BD Amine 384-well plates the day before the assay. On the day of the assay, growth medium was removed and replaced w...


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))
BDBM65146
PNG
(US10166249, Example 500 | US9522888, 500)
Show SMILES CC(C)CN(C)C(=O)c1cccc(OC[C@@H]2CCc3cc(ccc3C2)[C@H]2CC[C@](N)(COP(O)(O)=O)C2)c1 |r|
Show InChI InChI=1S/C29H41N2O6P/c1-20(2)17-31(3)28(32)25-5-4-6-27(15-25)36-18-21-7-8-23-14-24(10-9-22(23)13-21)26-11-12-29(30,16-26)19-37-38(33,34)35/h4-6,9-10,14-15,20-21,26H,7-8,11-13,16-19,30H2,1-3H3,(H2,33,34,35)/t21-,26+,29-/m1/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