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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Sphingosine-1-phosphate lyase 1' and Ligand = 'BDBM65173'   
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))
BDBM65173
PNG
(US10166249, Example 522 | US9522888, 522)
Show SMILES N[C@]1(COP(O)(O)=O)CC[C@@H](C1)c1ccc2C[C@H](CSCCc3ccccc3)CCc2c1 |r|
Show InChI InChI=1/C25H34NO4PS/c26-25(18-30-31(27,28)29)12-10-24(16-25)23-9-8-21-14-20(6-7-22(21)15-23)17-32-13-11-19-4-2-1-3-5-19/h1-5,8-9,15,20,24H,6-7,10-14,16-18,26H2,(H2,27,28,29)/t20-,24+,25-/s2
PDB

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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))
BDBM65173
PNG
(US10166249, Example 522 | US9522888, 522)
Show SMILES N[C@]1(COP(O)(O)=O)CC[C@@H](C1)c1ccc2C[C@H](CSCCc3ccccc3)CCc2c1 |r|
Show InChI InChI=1/C25H34NO4PS/c26-25(18-30-31(27,28)29)12-10-24(16-25)23-9-8-21-14-20(6-7-22(21)15-23)17-32-13-11-19-4-2-1-3-5-19/h1-5,8-9,15,20,24H,6-7,10-14,16-18,26H2,(H2,27,28,29)/t20-,24+,25-/s2
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
US Patent
n/an/an/an/a 55n/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))
BDBM65173
PNG
(US10166249, Example 522 | US9522888, 522)
Show SMILES N[C@]1(COP(O)(O)=O)CC[C@@H](C1)c1ccc2C[C@H](CSCCc3ccccc3)CCc2c1 |r|
Show InChI InChI=1/C25H34NO4PS/c26-25(18-30-31(27,28)29)12-10-24(16-25)23-9-8-21-14-20(6-7-22(21)15-23)17-32-13-11-19-4-2-1-3-5-19/h1-5,8-9,15,20,24H,6-7,10-14,16-18,26H2,(H2,27,28,29)/t20-,24+,25-/s2
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
US Patent
n/an/an/an/a 55n/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