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Compile Data Set for Download or QSAR

Found 6 hits of ec50 for monomerid = 65179   
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))
BDBM65179
PNG
(US10166249, Example 525 | US9522888, 525)
Show SMILES N[C@]1(COP(O)(O)=O)CC[C@@H](C1)c1ccc2C[C@H](CSCCc3ccncc3)CCc2c1 |r|
Show InChI InChI=1S/C24H33N2O4PS/c25-24(17-30-31(27,28)29)9-5-23(15-24)22-4-3-20-13-19(1-2-21(20)14-22)16-32-12-8-18-6-10-26-11-7-18/h3-4,6-7,10-11,14,19,23H,1-2,5,8-9,12-13,15-17,25H2,(H2,27,28,29)/t19-,23+,24-/m1/s1
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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 receptor 1


(Homo sapiens (Human))
BDBM65179
PNG
(US10166249, Example 525 | US9522888, 525)
Show SMILES N[C@]1(COP(O)(O)=O)CC[C@@H](C1)c1ccc2C[C@H](CSCCc3ccncc3)CCc2c1 |r|
Show InChI InChI=1S/C24H33N2O4PS/c25-24(17-30-31(27,28)29)9-5-23(15-24)22-4-3-20-13-19(1-2-21(20)14-22)16-32-12-8-18-6-10-26-11-7-18/h3-4,6-7,10-11,14,19,23H,1-2,5,8-9,12-13,15-17,25H2,(H2,27,28,29)/t19-,23+,24-/m1/s1
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n/an/an/an/a<10n/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 1


(Homo sapiens (Human))
BDBM65179
PNG
(US10166249, Example 525 | US9522888, 525)
Show SMILES N[C@]1(COP(O)(O)=O)CC[C@@H](C1)c1ccc2C[C@H](CSCCc3ccncc3)CCc2c1 |r|
Show InChI InChI=1S/C24H33N2O4PS/c25-24(17-30-31(27,28)29)9-5-23(15-24)22-4-3-20-13-19(1-2-21(20)14-22)16-32-12-8-18-6-10-26-11-7-18/h3-4,6-7,10-11,14,19,23H,1-2,5,8-9,12-13,15-17,25H2,(H2,27,28,29)/t19-,23+,24-/m1/s1
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n/an/an/an/a 55n/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))
BDBM65179
PNG
(US10166249, Example 525 | US9522888, 525)
Show SMILES N[C@]1(COP(O)(O)=O)CC[C@@H](C1)c1ccc2C[C@H](CSCCc3ccncc3)CCc2c1 |r|
Show InChI InChI=1S/C24H33N2O4PS/c25-24(17-30-31(27,28)29)9-5-23(15-24)22-4-3-20-13-19(1-2-21(20)14-22)16-32-12-8-18-6-10-26-11-7-18/h3-4,6-7,10-11,14,19,23H,1-2,5,8-9,12-13,15-17,25H2,(H2,27,28,29)/t19-,23+,24-/m1/s1
PDB

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US Patent
n/an/an/an/a 55n/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
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM65179
PNG
(US10166249, Example 525 | US9522888, 525)
Show SMILES N[C@]1(COP(O)(O)=O)CC[C@@H](C1)c1ccc2C[C@H](CSCCc3ccncc3)CCc2c1 |r|
Show InChI InChI=1S/C24H33N2O4PS/c25-24(17-30-31(27,28)29)9-5-23(15-24)22-4-3-20-13-19(1-2-21(20)14-22)16-32-12-8-18-6-10-26-11-7-18/h3-4,6-7,10-11,14,19,23H,1-2,5,8-9,12-13,15-17,25H2,(H2,27,28,29)/t19-,23+,24-/m1/s1
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US Patent
n/an/an/an/a>625n/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
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM65179
PNG
(US10166249, Example 525 | US9522888, 525)
Show SMILES N[C@]1(COP(O)(O)=O)CC[C@@H](C1)c1ccc2C[C@H](CSCCc3ccncc3)CCc2c1 |r|
Show InChI InChI=1S/C24H33N2O4PS/c25-24(17-30-31(27,28)29)9-5-23(15-24)22-4-3-20-13-19(1-2-21(20)14-22)16-32-12-8-18-6-10-26-11-7-18/h3-4,6-7,10-11,14,19,23H,1-2,5,8-9,12-13,15-17,25H2,(H2,27,28,29)/t19-,23+,24-/m1/s1
PDB

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US Patent
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