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Compile Data Set for Download or QSAR

Found 6 hits of ec50 for monomerid = 65360   
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 receptor 1


(Homo sapiens (Human))
BDBM65360
PNG
(US10166249, Example 668 | US9522888, 668)
Show SMILES CCCCS(=O)C[C@@H]1CCc2cc(ccc2C1)[C@H]1CC[C@](N)(COP(O)(O)=O)C1 |r|
Show InChI InChI=1/C21H34NO5PS/c1-2-3-10-29(26)14-16-4-5-18-12-19(7-6-17(18)11-16)20-8-9-21(22,13-20)15-27-28(23,24)25/h6-7,12,16,20H,2-5,8-11,13-15,22H2,1H3,(H2,23,24,25)/t16-,20+,21-,29?/s2
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n/an/an/an/a<10n/an/an/a60



Bristol-Myers Squibb Company

US Patent


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


US Patent US9522888 (2016)


BindingDB Entry DOI: 10.7270/Q20K27HV
More data for this
Ligand-Target Pair
Sphingosine-1-phosphate lyase 1


(Homo sapiens (Human))
BDBM65360
PNG
(US10166249, Example 668 | US9522888, 668)
Show SMILES CCCCS(=O)C[C@@H]1CCc2cc(ccc2C1)[C@H]1CC[C@](N)(COP(O)(O)=O)C1 |r|
Show InChI InChI=1/C21H34NO5PS/c1-2-3-10-29(26)14-16-4-5-18-12-19(7-6-17(18)11-16)20-8-9-21(22,13-20)15-27-28(23,24)25/h6-7,12,16,20H,2-5,8-11,13-15,22H2,1H3,(H2,23,24,25)/t16-,20+,21-,29?/s2
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n/an/an/an/a<10n/an/an/an/a



Bristol-Myers Squibb Company

US Patent




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))
BDBM65360
PNG
(US10166249, Example 668 | US9522888, 668)
Show SMILES CCCCS(=O)C[C@@H]1CCc2cc(ccc2C1)[C@H]1CC[C@](N)(COP(O)(O)=O)C1 |r|
Show InChI InChI=1/C21H34NO5PS/c1-2-3-10-29(26)14-16-4-5-18-12-19(7-6-17(18)11-16)20-8-9-21(22,13-20)15-27-28(23,24)25/h6-7,12,16,20H,2-5,8-11,13-15,22H2,1H3,(H2,23,24,25)/t16-,20+,21-,29?/s2
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n/an/an/an/a 55n/an/an/an/a



Bristol-Myers Squibb Company

US Patent




US Patent US10166249 (2019)


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


(Homo sapiens (Human))
BDBM65360
PNG
(US10166249, Example 668 | US9522888, 668)
Show SMILES CCCCS(=O)C[C@@H]1CCc2cc(ccc2C1)[C@H]1CC[C@](N)(COP(O)(O)=O)C1 |r|
Show InChI InChI=1/C21H34NO5PS/c1-2-3-10-29(26)14-16-4-5-18-12-19(7-6-17(18)11-16)20-8-9-21(22,13-20)15-27-28(23,24)25/h6-7,12,16,20H,2-5,8-11,13-15,22H2,1H3,(H2,23,24,25)/t16-,20+,21-,29?/s2
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n/an/an/an/a 55n/an/an/a37



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 US9522888 (2016)


BindingDB Entry DOI: 10.7270/Q20K27HV
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM65360
PNG
(US10166249, Example 668 | US9522888, 668)
Show SMILES CCCCS(=O)C[C@@H]1CCc2cc(ccc2C1)[C@H]1CC[C@](N)(COP(O)(O)=O)C1 |r|
Show InChI InChI=1/C21H34NO5PS/c1-2-3-10-29(26)14-16-4-5-18-12-19(7-6-17(18)11-16)20-8-9-21(22,13-20)15-27-28(23,24)25/h6-7,12,16,20H,2-5,8-11,13-15,22H2,1H3,(H2,23,24,25)/t16-,20+,21-,29?/s2
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n/an/an/an/a>625n/an/an/an/a



Bristol-Myers Squibb Company

US Patent




US Patent US10166249 (2019)


BindingDB Entry DOI: 10.7270/Q2S75JCM
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM65360
PNG
(US10166249, Example 668 | US9522888, 668)
Show SMILES CCCCS(=O)C[C@@H]1CCc2cc(ccc2C1)[C@H]1CC[C@](N)(COP(O)(O)=O)C1 |r|
Show InChI InChI=1/C21H34NO5PS/c1-2-3-10-29(26)14-16-4-5-18-12-19(7-6-17(18)11-16)20-8-9-21(22,13-20)15-27-28(23,24)25/h6-7,12,16,20H,2-5,8-11,13-15,22H2,1H3,(H2,23,24,25)/t16-,20+,21-,29?/s2
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n/an/an/an/a>625n/an/an/a60



Bristol-Myers Squibb Company

US Patent


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


US Patent US9522888 (2016)


BindingDB Entry DOI: 10.7270/Q20K27HV
More data for this
Ligand-Target Pair