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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 = 'BDBM65306'   
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))
BDBM65306
PNG
(US10166249, Example 623 | US9522888, 623)
Show SMILES CCCCCC(=O)OC1CCc2cc(ccc2C1)[C@H]1CC[C@](N)(COP(O)(O)=O)C1 |r|
Show InChI InChI=1/C22H34NO6P/c1-2-3-4-5-21(24)29-20-9-8-16-12-17(6-7-18(16)13-20)19-10-11-22(23,14-19)15-28-30(25,26)27/h6-7,12,19-20H,2-5,8-11,13-15,23H2,1H3,(H2,25,26,27)/t19-,20?,22+/s2
PDB

KEGG

UniProtKB/SwissProt

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



Bristol-Myers Squibb Company

US Patent




US Patent US10166249 (2019)


Article DOI: 10.1016/j.bmcl.2007.07.104
BindingDB Entry DOI: 10.7270/Q2S75JCM
More data for this
Ligand-Target Pair
Sphingosine-1-phosphate lyase 1


(Homo sapiens (Human))
BDBM65306
PNG
(US10166249, Example 623 | US9522888, 623)
Show SMILES CCCCCC(=O)OC1CCc2cc(ccc2C1)[C@H]1CC[C@](N)(COP(O)(O)=O)C1 |r|
Show InChI InChI=1/C22H34NO6P/c1-2-3-4-5-21(24)29-20-9-8-16-12-17(6-7-18(16)13-20)19-10-11-22(23,14-19)15-28-30(25,26)27/h6-7,12,19-20H,2-5,8-11,13-15,23H2,1H3,(H2,25,26,27)/t19-,20?,22+/s2
PDB

KEGG

UniProtKB/SwissProt

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



Bristol-Myers Squibb Company

US Patent




US Patent US10166249 (2019)


Article DOI: 10.1016/j.bmcl.2007.07.104
BindingDB Entry DOI: 10.7270/Q2S75JCM
More data for this
Ligand-Target Pair