BindingDB logo
myBDB logout

Patent code US10166249

Compile Data Set for Download or QSAR

Found 952 hits of Enzyme Inhibition Constant Data   
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)
BDBM313174
PNG
(US10166249, Example 689)
Show SMILES COCCCCCC1CCc2cc(ccc2C1)[C@H]1CC[C@](N)(COP(O)(O)=O)C1
Show InChI InChI=1S/C22H36NO5P/c1-27-12-4-2-3-5-17-6-7-19-14-20(9-8-18(19)13-17)21-10-11-22(23,15-21)16-28-29(24,25)26/h8-9,14,17,21H,2-7,10-13,15-16,23H2,1H3,(H2,24,25,26)/t17?,21-,22+/m0/s1
PDB

KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1.70n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
Membranes were prepared from CHO cells expressing human S1P1. Cells pellets (1109 cells/pellet) were suspended in buffer containing 20 mM HEPES (4-(...


US Patent US10166249 (2019)

More data for this
Ligand-Target Pair
Sphingosine-1-phosphate lyase 1


(Homo sapiens)
BDBM313176
PNG
(US10166249, Example 692)
Show SMILES COCCCCCC1CCc2cc(ccc2C1)[C@@H]1CC[C@@](N)(COP(O)(O)=O)C1
Show InChI InChI=1S/C22H36NO5P/c1-27-12-4-2-3-5-17-6-7-19-14-20(9-8-18(19)13-17)21-10-11-22(23,15-21)16-28-29(24,25)26/h8-9,14,17,21H,2-7,10-13,15-16,23H2,1H3,(H2,24,25,26)/t17?,21-,22+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 2.30n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
Membranes were prepared from CHO cells expressing human S1P1. Cells pellets (1109 cells/pellet) were suspended in buffer containing 20 mM HEPES (4-(...


US Patent US10166249 (2019)

More data for this
Ligand-Target Pair
Sphingosine-1-phosphate lyase 1


(Homo sapiens)
BDBM313175
PNG
(US10166249, Example 690)
Show SMILES COCCCCCC1CCc2cc(ccc2C1)[C@H]1CC[C@@](N)(COP(O)(O)=O)C1
Show InChI InChI=1S/C22H36NO5P/c1-27-12-4-2-3-5-17-6-7-19-14-20(9-8-18(19)13-17)21-10-11-22(23,15-21)16-28-29(24,25)26/h8-9,14,17,21H,2-7,10-13,15-16,23H2,1H3,(H2,24,25,26)/t17?,21-,22-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 3n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
Membranes were prepared from CHO cells expressing human S1P1. Cells pellets (1109 cells/pellet) were suspended in buffer containing 20 mM HEPES (4-(...


US Patent US10166249 (2019)

More data for this
Ligand-Target Pair
Sphingosine-1-phosphate lyase 1


(Homo sapiens)
BDBM313177
PNG
(US10166249, Example 693)
Show SMILES COc1cccc(CCC2CCc3cc(ccc3C2)[C@H]2CC[C@](N)(COP(O)(O)=O)C2)c1
Show InChI InChI=1S/C25H34NO5P/c1-30-24-4-2-3-18(14-24)5-6-19-7-8-21-15-22(10-9-20(21)13-19)23-11-12-25(26,16-23)17-31-32(27,28)29/h2-4,9-10,14-15,19,23H,5-8,11-13,16-17,26H2,1H3,(H2,27,28,29)/t19?,23-,25+/m0/s1
PDB

KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 5.20n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
Membranes were prepared from CHO cells expressing human S1P1. Cells pellets (1109 cells/pellet) were suspended in buffer containing 20 mM HEPES (4-(...


US Patent US10166249 (2019)

More data for this
Ligand-Target Pair
Sphingosine-1-phosphate lyase 1


(Homo sapiens)
BDBM65324
PNG
(US10166249, Example 638 | US9522888, 638)
Show SMILES COCCC\C=C\[C@H]1CCc2cc(ccc2C1)[C@H]1CC[C@](N)(COP(O)(O)=O)C1
Show InChI InChI=1S/C22H34NO5P/c1-27-12-4-2-3-5-17-6-7-19-14-20(9-8-18(19)13-17)21-10-11-22(23,15-21)16-28-29(24,25)26/h3,5,8-9,14,17,21H,2,4,6-7,10-13,15-16,23H2,1H3,(H2,24,25,26)/b5-3+/t17-,21-,22+/m0/s1
PDB

KEGG

UniProtKB/SwissProt

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



Bristol-Myers Squibb Company

US Patent


Assay Description
Membranes were prepared from CHO cells expressing human S1P1. Cells pellets (1109 cells/pellet) were suspended in buffer containing 20 mM HEPES (4-(...


US Patent US10166249 (2019)

More data for this
Ligand-Target Pair
Sphingosine-1-phosphate lyase 1


(Homo sapiens)
BDBM313199
PNG
(US10166249, Example 428 | US10166249, Example 429)
Show SMILES CCCCCCC[C@H]1Cc2ccc(cc2CO1)[C@H]1CC[C@](N)(COP(O)(O)=O)C1
Show InChI InChI=1S/C22H36NO5P/c1-2-3-4-5-6-7-21-13-18-9-8-17(12-20(18)15-27-21)19-10-11-22(23,14-19)16-28-29(24,25)26/h8-9,12,19,21H,2-7,10-11,13-16,23H2,1H3,(H2,24,25,26)/t19-,21-,22+/m0/s1
PDB

KEGG

UniProtKB/SwissProt

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



Bristol-Myers Squibb Company

US Patent


Assay Description
Membranes were prepared from CHO cells expressing human S1P1. Cells pellets (1109 cells/pellet) were suspended in buffer containing 20 mM HEPES (4-(...


US Patent US10166249 (2019)

More data for this
Ligand-Target Pair
Sphingosine-1-phosphate lyase 1


(Homo sapiens)
BDBM65068
PNG
(US10166249, Example 437 | US9522888, 437 | US95228...)
Show SMILES CCC\C=C/CO[C@H]1CCc2cc(ccc2C1)[C@H]1CC[C@](N)(COP(O)(O)=O)C1
Show InChI InChI=1S/C22H34NO5P/c1-2-3-4-5-12-27-21-9-8-17-13-18(6-7-19(17)14-21)20-10-11-22(23,15-20)16-28-29(24,25)26/h4-7,13,20-21H,2-3,8-12,14-16,23H2,1H3,(H2,24,25,26)/b5-4-/t20-,21-,22+/m0/s1
PDB

KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a<10n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
Membranes were prepared from CHO cells expressing human S1P1. Cells pellets (1109 cells/pellet) were suspended in buffer containing 20 mM HEPES (4-(...


US Patent US10166249 (2019)

More data for this
Ligand-Target Pair
Sphingosine-1-phosphate lyase 1


(Homo sapiens)
BDBM313211
PNG
(US10166249, Example 440)
Show SMILES CCCC\C=C/CO[C@H]1CCc2cc(ccc2C1)[C@H]1CC[C@](N)(COP(O)(O)=O)C1
Show InChI InChI=1S/C23H36NO5P/c1-2-3-4-5-6-13-28-22-10-9-18-14-19(7-8-20(18)15-22)21-11-12-23(24,16-21)17-29-30(25,26)27/h5-8,14,21-22H,2-4,9-13,15-17,24H2,1H3,(H2,25,26,27)/b6-5-/t21-,22-,23+/m0/s1
PDB

KEGG

UniProtKB/SwissProt

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



Bristol-Myers Squibb Company

US Patent


Assay Description
Membranes were prepared from CHO cells expressing human S1P1. Cells pellets (1109 cells/pellet) were suspended in buffer containing 20 mM HEPES (4-(...


US Patent US10166249 (2019)

More data for this
Ligand-Target Pair
Sphingosine-1-phosphate lyase 1


(Homo sapiens)
BDBM65166
PNG
(US10166249, Example 514 | US9522888, 514)
Show SMILES CC(C)(C)CSC[C@H]1CCc2cc(ccc2C1)[C@H]1CC[C@](N)(COP(O)(O)=O)C1
Show InChI InChI=1S/C22H36NO4PS/c1-21(2,3)15-29-13-16-4-5-18-11-19(7-6-17(18)10-16)20-8-9-22(23,12-20)14-27-28(24,25)26/h6-7,11,16,20H,4-5,8-10,12-15,23H2,1-3H3,(H2,24,25,26)/t16-,20-,22+/m0/s1
PDB

KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a<10n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
Membranes were prepared from CHO cells expressing human S1P1. Cells pellets (1109 cells/pellet) were suspended in buffer containing 20 mM HEPES (4-(...


US Patent US10166249 (2019)

More data for this
Ligand-Target Pair
Sphingosine-1-phosphate lyase 1


(Homo sapiens)
BDBM65191
PNG
(US10166249, Example 533 | US9522888, 533)
Show SMILES CCSCC[C@@H]1CCc2cc(ccc2C1)[C@H]1CC[C@](N)(COP(O)(O)=O)C1
Show InChI InChI=1S/C20H32NO4PS/c1-2-27-10-8-15-3-4-17-12-18(6-5-16(17)11-15)19-7-9-20(21,13-19)14-25-26(22,23)24/h5-6,12,15,19H,2-4,7-11,13-14,21H2,1H3,(H2,22,23,24)/t15-,19-,20+/m0/s1
PDB

KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a<10n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
Membranes were prepared from CHO cells expressing human S1P1. Cells pellets (1109 cells/pellet) were suspended in buffer containing 20 mM HEPES (4-(...


US Patent US10166249 (2019)

More data for this
Ligand-Target Pair
Sphingosine-1-phosphate lyase 1


(Homo sapiens)
BDBM65192
PNG
(US10166249, Example 534 | US9522888, 534)
Show SMILES CCCSCC[C@H]1CCc2cc(ccc2C1)[C@H]1CC[C@](N)(COP(O)(O)=O)C1
Show InChI InChI=1S/C21H34NO4PS/c1-2-10-28-11-8-16-3-4-18-13-19(6-5-17(18)12-16)20-7-9-21(22,14-20)15-26-27(23,24)25/h5-6,13,16,20H,2-4,7-12,14-15,22H2,1H3,(H2,23,24,25)/t16-,20+,21-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a<10n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
Membranes were prepared from CHO cells expressing human S1P1. Cells pellets (1109 cells/pellet) were suspended in buffer containing 20 mM HEPES (4-(...


US Patent US10166249 (2019)

More data for this
Ligand-Target Pair
Sphingosine-1-phosphate lyase 1


(Homo sapiens)
BDBM313360
PNG
(US10166249, Example 596)
Show SMILES COCCCCC1CCc2cc(ccc2C1)[C@H]1CC[C@](N)(COP(O)(O)=O)C1
Show InChI InChI=1S/C21H34NO5P/c1-26-11-3-2-4-16-5-6-18-13-19(8-7-17(18)12-16)20-9-10-21(22,14-20)15-27-28(23,24)25/h7-8,13,16,20H,2-6,9-12,14-15,22H2,1H3,(H2,23,24,25)/t16?,20-,21+/m0/s1
PDB

KEGG

UniProtKB/SwissProt

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



Bristol-Myers Squibb Company

US Patent


Assay Description
Membranes were prepared from CHO cells expressing human S1P1. Cells pellets (1109 cells/pellet) were suspended in buffer containing 20 mM HEPES (4-(...


US Patent US10166249 (2019)

More data for this
Ligand-Target Pair
Sphingosine-1-phosphate lyase 1


(Homo sapiens)
BDBM313366
PNG
(US10166249, Example 602)
Show SMILES CC(C)OCCC[C@H]1CCc2cc(ccc2C1)[C@H]1CC[C@](N)(COP(O)(O)=O)C1
Show InChI InChI=1S/C22H36NO5P/c1-16(2)27-11-3-4-17-5-6-19-13-20(8-7-18(19)12-17)21-9-10-22(23,14-21)15-28-29(24,25)26/h7-8,13,16-17,21H,3-6,9-12,14-15,23H2,1-2H3,(H2,24,25,26)/t17-,21-,22+/m0/s1
PDB

KEGG

UniProtKB/SwissProt

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



Bristol-Myers Squibb Company

US Patent


Assay Description
Membranes were prepared from CHO cells expressing human S1P1. Cells pellets (1109 cells/pellet) were suspended in buffer containing 20 mM HEPES (4-(...


US Patent US10166249 (2019)

More data for this
Ligand-Target Pair
Sphingosine-1-phosphate lyase 1


(Homo sapiens)
BDBM313374
PNG
(US10166249, Example 611)
Show SMILES COC(C)CCCC[C@H]1CCc2cc(ccc2C1)[C@H]1CC[C@](N)(COP(O)(O)=O)C1
Show InChI InChI=1S/C23H38NO5P/c1-17(28-2)5-3-4-6-18-7-8-20-14-21(10-9-19(20)13-18)22-11-12-23(24,15-22)16-29-30(25,26)27/h9-10,14,17-18,22H,3-8,11-13,15-16,24H2,1-2H3,(H2,25,26,27)/t17?,18-,22-,23+/m0/s1
PDB

KEGG

UniProtKB/SwissProt

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



Bristol-Myers Squibb Company

US Patent


Assay Description
Membranes were prepared from CHO cells expressing human S1P1. Cells pellets (1109 cells/pellet) were suspended in buffer containing 20 mM HEPES (4-(...


US Patent US10166249 (2019)

More data for this
Ligand-Target Pair
Sphingosine-1-phosphate lyase 1


(Homo sapiens)
BDBM65041
PNG
(US10166249, Example 412 | US9522888, 412)
Show SMILES CCCCCOC[C@@H]1COc2cc(ccc2O1)[C@H]1CC[C@](N)(COP(O)(O)=O)C1
Show InChI InChI=1S/C20H32NO7P/c1-2-3-4-9-25-12-17-13-26-19-10-15(5-6-18(19)28-17)16-7-8-20(21,11-16)14-27-29(22,23)24/h5-6,10,16-17H,2-4,7-9,11-14,21H2,1H3,(H2,22,23,24)/t16-,17+,20+/m0/s1
PDB

KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a<10n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
Membranes were prepared from CHO cells expressing human S1P1. Cells pellets (1109 cells/pellet) were suspended in buffer containing 20 mM HEPES (4-(...


US Patent US10166249 (2019)

More data for this
Ligand-Target Pair
Sphingosine-1-phosphate lyase 1


(Homo sapiens)
BDBM313207
PNG
(US10166249, Example 436)
Show SMILES CCCCOC1CCc2cc(ccc2C1)[C@H]1CC[C@](N)(COP(O)(O)=O)C1
Show InChI InChI=1S/C20H32NO5P/c1-2-3-10-25-19-7-6-15-11-16(4-5-17(15)12-19)18-8-9-20(21,13-18)14-26-27(22,23)24/h4-5,11,18-19H,2-3,6-10,12-14,21H2,1H3,(H2,22,23,24)/t18-,19?,20+/m0/s1
PDB

KEGG

UniProtKB/SwissProt

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



Bristol-Myers Squibb Company

US Patent


Assay Description
Membranes were prepared from CHO cells expressing human S1P1. Cells pellets (1109 cells/pellet) were suspended in buffer containing 20 mM HEPES (4-(...


US Patent US10166249 (2019)

More data for this
Ligand-Target Pair
Sphingosine-1-phosphate lyase 1


(Homo sapiens)
BDBM65069
PNG
(US10166249, Example 438 | US9522888, 438 | US95228...)
Show SMILES CCC\C=C/CO[C@@H]1CCc2cc(ccc2C1)[C@H]1CC[C@](N)(COP(O)(O)=O)C1
Show InChI InChI=1S/C22H34NO5P/c1-2-3-4-5-12-27-21-9-8-17-13-18(6-7-19(17)14-21)20-10-11-22(23,15-20)16-28-29(24,25)26/h4-7,13,20-21H,2-3,8-12,14-16,23H2,1H3,(H2,24,25,26)/b5-4-/t20-,21+,22+/m0/s1
PDB

KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a<10n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
Membranes were prepared from CHO cells expressing human S1P1. Cells pellets (1109 cells/pellet) were suspended in buffer containing 20 mM HEPES (4-(...


US Patent US10166249 (2019)

More data for this
Ligand-Target Pair
Sphingosine-1-phosphate lyase 1


(Homo sapiens)
BDBM65355
PNG
(US10166249, Example 664 | US9522888, 664)
Show SMILES C\C(=N/OCc1ccccc1)[C@@H]1CCc2cc(ccc2C1)[C@H]1CC[C@](N)(COP(O)(O)=O)C1
Show InChI InChI=1S/C25H33N2O5P/c1-18(27-31-16-19-5-3-2-4-6-19)20-7-8-22-14-23(10-9-21(22)13-20)24-11-12-25(26,15-24)17-32-33(28,29)30/h2-6,9-10,14,20,24H,7-8,11-13,15-17,26H2,1H3,(H2,28,29,30)/b27-18+/t20-,24+,25-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

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



Bristol-Myers Squibb Company

US Patent


Assay Description
Membranes were prepared from CHO cells expressing human S1P1. Cells pellets (1109 cells/pellet) were suspended in buffer containing 20 mM HEPES (4-(...


US Patent US10166249 (2019)

More data for this
Ligand-Target Pair
Sphingosine-1-phosphate lyase 1


(Homo sapiens)
BDBM65075
PNG
(US10166249, Example 442 | US9522888, 442)
Show SMILES COc1cccc(CO[C@H]2CCc3cc(ccc3C2)[C@H]2CC[C@](N)(COP(O)(O)=O)C2)c1
Show InChI InChI=1S/C24H32NO6P/c1-29-22-4-2-3-17(11-22)15-30-23-8-7-18-12-19(5-6-20(18)13-23)21-9-10-24(25,14-21)16-31-32(26,27)28/h2-6,11-12,21,23H,7-10,13-16,25H2,1H3,(H2,26,27,28)/t21-,23-,24+/m0/s1
PDB

KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a<10n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
Membranes were prepared from CHO cells expressing human S1P1. Cells pellets (1109 cells/pellet) were suspended in buffer containing 20 mM HEPES (4-(...


US Patent US10166249 (2019)

More data for this
Ligand-Target Pair
Sphingosine-1-phosphate lyase 1


(Homo sapiens)
BDBM313219
PNG
(US10166249, Example 449)
Show SMILES N[C@]1(COP(O)(O)=O)CC[C@@H](C1)c1ccc2CC(COc3ccc(F)cc3)CCc2c1
Show InChI InChI=1S/C23H29FNO5P/c24-21-5-7-22(8-6-21)29-14-16-1-2-18-12-19(4-3-17(18)11-16)20-9-10-23(25,13-20)15-30-31(26,27)28/h3-8,12,16,20H,1-2,9-11,13-15,25H2,(H2,26,27,28)/t16?,20-,23+/m0/s1
PDB

KEGG

UniProtKB/SwissProt

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



Bristol-Myers Squibb Company

US Patent


Assay Description
Membranes were prepared from CHO cells expressing human S1P1. Cells pellets (1109 cells/pellet) were suspended in buffer containing 20 mM HEPES (4-(...


US Patent US10166249 (2019)

More data for this
Ligand-Target Pair
Sphingosine-1-phosphate lyase 1


(Homo sapiens)
BDBM65086
PNG
(US10166249, Example 452 | US9522888, 452)
Show SMILES N[C@]1(COP(O)(O)=O)CC[C@@H](C1)c1ccc2C[C@H](COCCC=C)CCc2c1
Show InChI InChI=1S/C21H32NO5P/c1-2-3-10-26-14-16-4-5-18-12-19(7-6-17(18)11-16)20-8-9-21(22,13-20)15-27-28(23,24)25/h2,6-7,12,16,20H,1,3-5,8-11,13-15,22H2,(H2,23,24,25)/t16-,20+,21-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a<10n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
Membranes were prepared from CHO cells expressing human S1P1. Cells pellets (1109 cells/pellet) were suspended in buffer containing 20 mM HEPES (4-(...


US Patent US10166249 (2019)

More data for this
Ligand-Target Pair
Sphingosine-1-phosphate lyase 1


(Homo sapiens)
BDBM65090
PNG
(US10166249, Example 455 | US9522888, 456)
Show SMILES CC\C=C\COC[C@@H]1CCc2cc(ccc2C1)[C@H]1CC[C@](N)(COP(O)(O)=O)C1
Show InChI InChI=1S/C22H34NO5P/c1-2-3-4-11-27-15-17-5-6-19-13-20(8-7-18(19)12-17)21-9-10-22(23,14-21)16-28-29(24,25)26/h3-4,7-8,13,17,21H,2,5-6,9-12,14-16,23H2,1H3,(H2,24,25,26)/b4-3+/t17-,21+,22-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a<10n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
Membranes were prepared from CHO cells expressing human S1P1. Cells pellets (1109 cells/pellet) were suspended in buffer containing 20 mM HEPES (4-(...


US Patent US10166249 (2019)

More data for this
Ligand-Target Pair
Sphingosine-1-phosphate lyase 1


(Homo sapiens)
BDBM65095
PNG
(US10166249, Example 460 | US9522888, 460 | US95228...)
Show SMILES CCC\C=C\COC[C@@H]1CCc2cc(ccc2C1)[C@H]1CC[C@](N)(COP(O)(O)=O)C1
Show InChI InChI=1S/C23H36NO5P/c1-2-3-4-5-12-28-16-18-6-7-20-14-21(9-8-19(20)13-18)22-10-11-23(24,15-22)17-29-30(25,26)27/h4-5,8-9,14,18,22H,2-3,6-7,10-13,15-17,24H2,1H3,(H2,25,26,27)/b5-4+/t18-,22+,23-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a<10n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
Membranes were prepared from CHO cells expressing human S1P1. Cells pellets (1109 cells/pellet) were suspended in buffer containing 20 mM HEPES (4-(...


US Patent US10166249 (2019)

More data for this
Ligand-Target Pair
Sphingosine-1-phosphate lyase 1


(Homo sapiens)
BDBM65134
PNG
(US10166249, Example 491 | US9522888, 491)
Show SMILES COc1ccc(OC[C@@H]2CCc3cc(ccc3C2)[C@H]2CC[C@](N)(COP(O)(O)=O)C2)cc1OC
Show InChI InChI=1S/C25H34NO7P/c1-30-23-8-7-22(13-24(23)31-2)32-15-17-3-4-19-12-20(6-5-18(19)11-17)21-9-10-25(26,14-21)16-33-34(27,28)29/h5-8,12-13,17,21H,3-4,9-11,14-16,26H2,1-2H3,(H2,27,28,29)/t17-,21+,25-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a<10n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
Membranes were prepared from CHO cells expressing human S1P1. Cells pellets (1109 cells/pellet) were suspended in buffer containing 20 mM HEPES (4-(...


US Patent US10166249 (2019)

More data for this
Ligand-Target Pair
Sphingosine-1-phosphate lyase 1


(Homo sapiens)
BDBM313271
PNG
(US10166249, Example 505 | US10166249, Example 506)
Show SMILES CCCCSCC1CCc2cc(ccc2C1)[C@@H]1CC[C@](N)(COP(O)(O)=O)C1
Show InChI InChI=1S/C21H34NO4PS/c1-2-3-10-28-14-16-4-5-18-12-19(7-6-17(18)11-16)20-8-9-21(22,13-20)15-26-27(23,24)25/h6-7,12,16,20H,2-5,8-11,13-15,22H2,1H3,(H2,23,24,25)/t16?,20-,21-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

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



Bristol-Myers Squibb Company

US Patent


Assay Description
Membranes were prepared from CHO cells expressing human S1P1. Cells pellets (1109 cells/pellet) were suspended in buffer containing 20 mM HEPES (4-(...


US Patent US10166249 (2019)

More data for this
Ligand-Target Pair
Sphingosine-1-phosphate lyase 1


(Homo sapiens)
BDBM65163
PNG
(US10166249, Example 511 | US9522888, 511)
Show SMILES CC(C)CCSC[C@H]1CCc2cc(ccc2C1)[C@H]1CC[C@](N)(COP(O)(O)=O)C1
Show InChI InChI=1S/C22H36NO4PS/c1-16(2)8-10-29-14-17-3-4-19-12-20(6-5-18(19)11-17)21-7-9-22(23,13-21)15-27-28(24,25)26/h5-6,12,16-17,21H,3-4,7-11,13-15,23H2,1-2H3,(H2,24,25,26)/t17-,21-,22+/m0/s1
PDB

KEGG

UniProtKB/SwissProt

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



Bristol-Myers Squibb Company

US Patent


Assay Description
Membranes were prepared from CHO cells expressing human S1P1. Cells pellets (1109 cells/pellet) were suspended in buffer containing 20 mM HEPES (4-(...


US Patent US10166249 (2019)

More data for this
Ligand-Target Pair
Sphingosine-1-phosphate lyase 1


(Homo sapiens)
BDBM65197
PNG
(US10166249, Example 538 | US9522888, 538)
Show SMILES CC(C)CSCC[C@@H]1CCc2cc(ccc2C1)[C@H]1CC[C@](N)(COP(O)(O)=O)C1
Show InChI InChI=1S/C22H36NO4PS/c1-16(2)14-29-10-8-17-3-4-19-12-20(6-5-18(19)11-17)21-7-9-22(23,13-21)15-27-28(24,25)26/h5-6,12,16-17,21H,3-4,7-11,13-15,23H2,1-2H3,(H2,24,25,26)/t17-,21-,22+/m0/s1
PDB

KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a<10n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
Membranes were prepared from CHO cells expressing human S1P1. Cells pellets (1109 cells/pellet) were suspended in buffer containing 20 mM HEPES (4-(...


US Patent US10166249 (2019)

More data for this
Ligand-Target Pair
Sphingosine-1-phosphate lyase 1


(Homo sapiens)
BDBM313335
PNG
(US10166249, Example 569)
Show SMILES N[C@]1(COP(O)(O)=O)CC[C@@H](C1)c1ccc2CC(CCc2c1)c1ccccc1
Show InChI InChI=1S/C22H28NO4P/c23-22(15-27-28(24,25)26)11-10-21(14-22)20-9-8-18-12-17(6-7-19(18)13-20)16-4-2-1-3-5-16/h1-5,8-9,13,17,21H,6-7,10-12,14-15,23H2,(H2,24,25,26)/t17?,21-,22+/m0/s1
PDB

KEGG

UniProtKB/SwissProt

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



Bristol-Myers Squibb Company

US Patent


Assay Description
Membranes were prepared from CHO cells expressing human S1P1. Cells pellets (1109 cells/pellet) were suspended in buffer containing 20 mM HEPES (4-(...


US Patent US10166249 (2019)

More data for this
Ligand-Target Pair
Sphingosine-1-phosphate lyase 1


(Homo sapiens)
BDBM313343
PNG
(US10166249, Example 577 | US10166249, Example 578)
Show SMILES CCCCC1CCc2cc(ccc2C1)[C@H]1CC[C@](N)(COP(O)(O)=O)C1
Show InChI InChI=1S/C20H32NO4P/c1-2-3-4-15-5-6-17-12-18(8-7-16(17)11-15)19-9-10-20(21,13-19)14-25-26(22,23)24/h7-8,12,15,19H,2-6,9-11,13-14,21H2,1H3,(H2,22,23,24)/t15?,19-,20+/m0/s1
PDB

KEGG

UniProtKB/SwissProt

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



Bristol-Myers Squibb Company

US Patent


Assay Description
Membranes were prepared from CHO cells expressing human S1P1. Cells pellets (1109 cells/pellet) were suspended in buffer containing 20 mM HEPES (4-(...


US Patent US10166249 (2019)

More data for this
Ligand-Target Pair
Sphingosine-1-phosphate lyase 1


(Homo sapiens)
BDBM313352
PNG
(US10166249, Example 586)
Show SMILES CCCCCOCCO[C@H]1CCc2cc(ccc2C1)[C@H]1CC[C@](N)(COP(O)(O)=O)C1
Show InChI InChI=1S/C23H38NO6P/c1-2-3-4-11-28-12-13-29-22-8-7-18-14-19(5-6-20(18)15-22)21-9-10-23(24,16-21)17-30-31(25,26)27/h5-6,14,21-22H,2-4,7-13,15-17,24H2,1H3,(H2,25,26,27)/t21-,22-,23+/m0/s1
PDB

KEGG

UniProtKB/SwissProt

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



Bristol-Myers Squibb Company

US Patent


Assay Description
Membranes were prepared from CHO cells expressing human S1P1. Cells pellets (1109 cells/pellet) were suspended in buffer containing 20 mM HEPES (4-(...


US Patent US10166249 (2019)

More data for this
Ligand-Target Pair
Sphingosine-1-phosphate lyase 1


(Homo sapiens)
BDBM313371
PNG
(US10166249, Example 608)
Show SMILES COc1cc(CC[C@@H]2CCc3cc(ccc3C2)[C@H]2CC[C@](N)(COP(O)(O)=O)C2)ccc1F
Show InChI InChI=1S/C25H33FNO5P/c1-31-24-13-18(5-9-23(24)26)3-2-17-4-6-20-14-21(8-7-19(20)12-17)22-10-11-25(27,15-22)16-32-33(28,29)30/h5,7-9,13-14,17,22H,2-4,6,10-12,15-16,27H2,1H3,(H2,28,29,30)/t17-,22+,25-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

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



Bristol-Myers Squibb Company

US Patent


Assay Description
Membranes were prepared from CHO cells expressing human S1P1. Cells pellets (1109 cells/pellet) were suspended in buffer containing 20 mM HEPES (4-(...


US Patent US10166249 (2019)

More data for this
Ligand-Target Pair
Sphingosine-1-phosphate lyase 1


(Homo sapiens)
BDBM65321
PNG
(US10166249, Example 637 | US9522888, 636 | US95228...)
Show SMILES CCCC\C=C\[C@@H]1CCc2cc(ccc2C1)[C@H]1CC[C@](N)(COP(O)(O)=O)C1
Show InChI InChI=1S/C22H34NO4P/c1-2-3-4-5-6-17-7-8-19-14-20(10-9-18(19)13-17)21-11-12-22(23,15-21)16-27-28(24,25)26/h5-6,9-10,14,17,21H,2-4,7-8,11-13,15-16,23H2,1H3,(H2,24,25,26)/b6-5+/t17-,21+,22-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

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



Bristol-Myers Squibb Company

US Patent


Assay Description
Membranes were prepared from CHO cells expressing human S1P1. Cells pellets (1109 cells/pellet) were suspended in buffer containing 20 mM HEPES (4-(...


US Patent US10166249 (2019)

More data for this
Ligand-Target Pair
Sphingosine-1-phosphate lyase 1


(Homo sapiens)
BDBM313199
PNG
(US10166249, Example 428 | US10166249, Example 429)
Show SMILES CCCCCCC[C@H]1Cc2ccc(cc2CO1)[C@H]1CC[C@](N)(COP(O)(O)=O)C1
Show InChI InChI=1S/C22H36NO5P/c1-2-3-4-5-6-7-21-13-18-9-8-17(12-20(18)15-27-21)19-10-11-22(23,14-19)16-28-29(24,25)26/h8-9,12,19,21H,2-7,10-11,13-16,23H2,1H3,(H2,24,25,26)/t19-,21-,22+/m0/s1
PDB

KEGG

UniProtKB/SwissProt

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



Bristol-Myers Squibb Company

US Patent


Assay Description
Membranes were prepared from CHO cells expressing human S1P1. Cells pellets (1109 cells/pellet) were suspended in buffer containing 20 mM HEPES (4-(...


US Patent US10166249 (2019)

More data for this
Ligand-Target Pair
Sphingosine-1-phosphate lyase 1


(Homo sapiens)
BDBM65077
PNG
(US10166249, Example 444 | US9522888, 444)
Show SMILES CCOc1cccc(CO[C@@H]2CCc3cc(ccc3C2)[C@H]2CC[C@](N)(COP(O)(O)=O)C2)c1
Show InChI InChI=1S/C25H34NO6P/c1-2-30-23-5-3-4-18(12-23)16-31-24-9-8-19-13-20(6-7-21(19)14-24)22-10-11-25(26,15-22)17-32-33(27,28)29/h3-7,12-13,22,24H,2,8-11,14-17,26H2,1H3,(H2,27,28,29)/t22-,24+,25+/m0/s1
PDB

KEGG

UniProtKB/SwissProt

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



Bristol-Myers Squibb Company

US Patent


Assay Description
Membranes were prepared from CHO cells expressing human S1P1. Cells pellets (1109 cells/pellet) were suspended in buffer containing 20 mM HEPES (4-(...


US Patent US10166249 (2019)

More data for this
Ligand-Target Pair
Sphingosine-1-phosphate lyase 1


(Homo sapiens)
BDBM313218
PNG
(US10166249, Example 448)
Show SMILES CCCCCOCC1CCc2cc(ccc2C1)[C@H]1CC[C@](N)(COP(O)(O)=O)C1
Show InChI InChI=1S/C22H36NO5P/c1-2-3-4-11-27-15-17-5-6-19-13-20(8-7-18(19)12-17)21-9-10-22(23,14-21)16-28-29(24,25)26/h7-8,13,17,21H,2-6,9-12,14-16,23H2,1H3,(H2,24,25,26)/t17?,21-,22+/m0/s1
PDB

KEGG

UniProtKB/SwissProt

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



Bristol-Myers Squibb Company

US Patent


Assay Description
Membranes were prepared from CHO cells expressing human S1P1. Cells pellets (1109 cells/pellet) were suspended in buffer containing 20 mM HEPES (4-(...


US Patent US10166249 (2019)

More data for this
Ligand-Target Pair
Sphingosine-1-phosphate lyase 1


(Homo sapiens)
BDBM65091
PNG
(US10166249, Example 457 | US9522888, 457)
Show SMILES CC(C)CCOC[C@@H]1CCc2cc(ccc2C1)[C@H]1CC[C@](N)(COP(O)(O)=O)C1
Show InChI InChI=1S/C22H36NO5P/c1-16(2)8-10-27-14-17-3-4-19-12-20(6-5-18(19)11-17)21-7-9-22(23,13-21)15-28-29(24,25)26/h5-6,12,16-17,21H,3-4,7-11,13-15,23H2,1-2H3,(H2,24,25,26)/t17-,21+,22-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

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



Bristol-Myers Squibb Company

US Patent


Assay Description
Membranes were prepared from CHO cells expressing human S1P1. Cells pellets (1109 cells/pellet) were suspended in buffer containing 20 mM HEPES (4-(...


US Patent US10166249 (2019)

More data for this
Ligand-Target Pair
Sphingosine-1-phosphate lyase 1


(Homo sapiens)
BDBM65092
PNG
(US10166249, Example 465 | US9522888, 458 | US95228...)
Show SMILES COCCCOC[C@@H]1CCc2cc(ccc2C1)[C@H]1CC[C@](N)(COP(O)(O)=O)C1
Show InChI InChI=1S/C21H34NO6P/c1-26-9-2-10-27-14-16-3-4-18-12-19(6-5-17(18)11-16)20-7-8-21(22,13-20)15-28-29(23,24)25/h5-6,12,16,20H,2-4,7-11,13-15,22H2,1H3,(H2,23,24,25)/t16-,20+,21-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

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



Bristol-Myers Squibb Company

US Patent


Assay Description
Membranes were prepared from CHO cells expressing human S1P1. Cells pellets (1109 cells/pellet) were suspended in buffer containing 20 mM HEPES (4-(...


US Patent US10166249 (2019)

More data for this
Ligand-Target Pair
Sphingosine-1-phosphate lyase 1


(Homo sapiens)
BDBM65110
PNG
(US10166249, Example 473 | US9522888, 473)
Show SMILES N[C@]1(COP(O)(O)=O)CC[C@@H](C1)c1ccc2C[C@H](COCc3ccsc3)CCc2c1
Show InChI InChI=1S/C22H30NO5PS/c23-22(15-28-29(24,25)26)7-5-21(11-22)20-4-3-18-9-16(1-2-19(18)10-20)12-27-13-17-6-8-30-14-17/h3-4,6,8,10,14,16,21H,1-2,5,7,9,11-13,15,23H2,(H2,24,25,26)/t16-,21+,22-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

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



Bristol-Myers Squibb Company

US Patent


Assay Description
Membranes were prepared from CHO cells expressing human S1P1. Cells pellets (1109 cells/pellet) were suspended in buffer containing 20 mM HEPES (4-(...


US Patent US10166249 (2019)

More data for this
Ligand-Target Pair
Sphingosine-1-phosphate lyase 1


(Homo sapiens)
BDBM65125
PNG
(US10166249, Example 481 | US9522888, 481)
Show SMILES COc1cccc(COC[C@H]2CCc3cc(ccc3C2)[C@H]2CC[C@](N)(COP(O)(O)=O)C2)c1
Show InChI InChI=1S/C25H34NO6P/c1-30-24-4-2-3-18(12-24)15-31-16-19-5-6-21-13-22(8-7-20(21)11-19)23-9-10-25(26,14-23)17-32-33(27,28)29/h2-4,7-8,12-13,19,23H,5-6,9-11,14-17,26H2,1H3,(H2,27,28,29)/t19-,23-,25+/m0/s1
PDB

KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a<10n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
Membranes were prepared from CHO cells expressing human S1P1. Cells pellets (1109 cells/pellet) were suspended in buffer containing 20 mM HEPES (4-(...


US Patent US10166249 (2019)

More data for this
Ligand-Target Pair
Sphingosine-1-phosphate lyase 1


(Homo sapiens)
BDBM65133
PNG
(US10166249, Example 490 | US9522888, 490)
Show SMILES CN(C)Cc1cccc(OC[C@@H]2CCc3cc(ccc3C2)[C@H]2CC[C@](N)(COP(O)(O)=O)C2)c1
Show InChI InChI=1S/C26H37N2O5P/c1-28(2)16-19-4-3-5-25(13-19)32-17-20-6-7-22-14-23(9-8-21(22)12-20)24-10-11-26(27,15-24)18-33-34(29,30)31/h3-5,8-9,13-14,20,24H,6-7,10-12,15-18,27H2,1-2H3,(H2,29,30,31)/t20-,24+,26-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a<10n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
Membranes were prepared from CHO cells expressing human S1P1. Cells pellets (1109 cells/pellet) were suspended in buffer containing 20 mM HEPES (4-(...


US Patent US10166249 (2019)

More data for this
Ligand-Target Pair
Sphingosine-1-phosphate lyase 1


(Homo sapiens)
BDBM65164
PNG
(US10166249, Example 512 | US9522888, 512)
Show SMILES CCCCCSC[C@H]1CCc2cc(ccc2C1)[C@H]1CC[C@](N)(COP(O)(O)=O)C1
Show InChI InChI=1S/C22H36NO4PS/c1-2-3-4-11-29-15-17-5-6-19-13-20(8-7-18(19)12-17)21-9-10-22(23,14-21)16-27-28(24,25)26/h7-8,13,17,21H,2-6,9-12,14-16,23H2,1H3,(H2,24,25,26)/t17-,21-,22+/m0/s1
PDB

KEGG

UniProtKB/SwissProt

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



Bristol-Myers Squibb Company

US Patent


Assay Description
Membranes were prepared from CHO cells expressing human S1P1. Cells pellets (1109 cells/pellet) were suspended in buffer containing 20 mM HEPES (4-(...


US Patent US10166249 (2019)

More data for this
Ligand-Target Pair
Sphingosine-1-phosphate lyase 1


(Homo sapiens)
BDBM65170
PNG
(US10166249, Example 519 | US9522888, 519)
Show SMILES CC(C)(C)CCSC[C@@H]1CCc2cc(ccc2C1)[C@H]1CC[C@](N)(COP(O)(O)=O)C1
Show InChI InChI=1S/C23H38NO4PS/c1-22(2,3)10-11-30-15-17-4-5-19-13-20(7-6-18(19)12-17)21-8-9-23(24,14-21)16-28-29(25,26)27/h6-7,13,17,21H,4-5,8-12,14-16,24H2,1-3H3,(H2,25,26,27)/t17-,21+,23-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

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



Bristol-Myers Squibb Company

US Patent


Assay Description
Membranes were prepared from CHO cells expressing human S1P1. Cells pellets (1109 cells/pellet) were suspended in buffer containing 20 mM HEPES (4-(...


US Patent US10166249 (2019)

More data for this
Ligand-Target Pair
Sphingosine-1-phosphate lyase 1


(Homo sapiens)
BDBM65193
PNG
(US10166249, Example 535 | US9522888, 535)
Show SMILES CCCSCC[C@@H]1CCc2cc(ccc2C1)[C@H]1CC[C@](N)(COP(O)(O)=O)C1
Show InChI InChI=1S/C21H34NO4PS/c1-2-10-28-11-8-16-3-4-18-13-19(6-5-17(18)12-16)20-7-9-21(22,14-20)15-26-27(23,24)25/h5-6,13,16,20H,2-4,7-12,14-15,22H2,1H3,(H2,23,24,25)/t16-,20-,21+/m0/s1
PDB

KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a<10n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
Membranes were prepared from CHO cells expressing human S1P1. Cells pellets (1109 cells/pellet) were suspended in buffer containing 20 mM HEPES (4-(...


US Patent US10166249 (2019)

More data for this
Ligand-Target Pair
Sphingosine-1-phosphate lyase 1


(Homo sapiens)
BDBM313306
PNG
(US10166249, Example 540)
Show SMILES COCCC1CCc2cc(ccc2C1)[C@H]1CC[C@](N)(COP(O)(O)=O)C1
Show InChI InChI=1S/C19H30NO5P/c1-24-9-7-14-2-3-16-11-17(5-4-15(16)10-14)18-6-8-19(20,12-18)13-25-26(21,22)23/h4-5,11,14,18H,2-3,6-10,12-13,20H2,1H3,(H2,21,22,23)/t14?,18-,19+/m0/s1
PDB

KEGG

UniProtKB/SwissProt

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



Bristol-Myers Squibb Company

US Patent


Assay Description
Membranes were prepared from CHO cells expressing human S1P1. Cells pellets (1109 cells/pellet) were suspended in buffer containing 20 mM HEPES (4-(...


US Patent US10166249 (2019)

More data for this
Ligand-Target Pair
Sphingosine-1-phosphate lyase 1


(Homo sapiens)
BDBM313350
PNG
(US10166249, Example 584)
Show SMILES N[C@]1(COP(O)(O)=O)CC[C@@H](C1)c1ccc2C[C@@H](CCc2c1)OCCOCCC=C
Show InChI InChI=1S/C22H34NO6P/c1-2-3-10-27-11-12-28-21-7-6-17-13-18(4-5-19(17)14-21)20-8-9-22(23,15-20)16-29-30(24,25)26/h2,4-5,13,20-21H,1,3,6-12,14-16,23H2,(H2,24,25,26)/t20-,21+,22+/m0/s1
PDB

KEGG

UniProtKB/SwissProt

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



Bristol-Myers Squibb Company

US Patent


Assay Description
Membranes were prepared from CHO cells expressing human S1P1. Cells pellets (1109 cells/pellet) were suspended in buffer containing 20 mM HEPES (4-(...


US Patent US10166249 (2019)

More data for this
Ligand-Target Pair
Sphingosine-1-phosphate lyase 1


(Homo sapiens)
BDBM313355
PNG
(US10166249, Example 591 | US10166249, Example 592)
Show SMILES CCCCOCCOC1CCc2cc(ccc2C1)[C@@H]1CC[C@](N)(COP(O)(O)=O)C1
Show InChI InChI=1S/C22H36NO6P/c1-2-3-10-27-11-12-28-21-7-6-17-13-18(4-5-19(17)14-21)20-8-9-22(23,15-20)16-29-30(24,25)26/h4-5,13,20-21H,2-3,6-12,14-16,23H2,1H3,(H2,24,25,26)/t20-,21?,22-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

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



Bristol-Myers Squibb Company

US Patent


Assay Description
Membranes were prepared from CHO cells expressing human S1P1. Cells pellets (1109 cells/pellet) were suspended in buffer containing 20 mM HEPES (4-(...


US Patent US10166249 (2019)

More data for this
Ligand-Target Pair
Sphingosine-1-phosphate lyase 1


(Homo sapiens)
BDBM313361
PNG
(US10166249, Example 597 | US10166249, Example 598)
Show SMILES COCCCCCCC1CCc2cc(ccc2C1)[C@H]1CC[C@](N)(COP(O)(O)=O)C1
Show InChI InChI=1S/C23H38NO5P/c1-28-13-5-3-2-4-6-18-7-8-20-15-21(10-9-19(20)14-18)22-11-12-23(24,16-22)17-29-30(25,26)27/h9-10,15,18,22H,2-8,11-14,16-17,24H2,1H3,(H2,25,26,27)/t18?,22-,23+/m0/s1
PDB

KEGG

UniProtKB/SwissProt

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



Bristol-Myers Squibb Company

US Patent


Assay Description
Membranes were prepared from CHO cells expressing human S1P1. Cells pellets (1109 cells/pellet) were suspended in buffer containing 20 mM HEPES (4-(...


US Patent US10166249 (2019)

More data for this
Ligand-Target Pair
Sphingosine-1-phosphate lyase 1


(Homo sapiens)
BDBM313368
PNG
(US10166249, Example 605)
Show SMILES N[C@]1(COP(O)(O)=O)CC[C@@H](C1)c1ccc2C[C@@H](CCc3ccc4ccccc4n3)CCc2c1
Show InChI InChI=1S/C27H33N2O4P/c28-27(18-33-34(30,31)32)14-13-24(17-27)23-9-8-21-15-19(5-7-22(21)16-23)6-11-25-12-10-20-3-1-2-4-26(20)29-25/h1-4,8-10,12,16,19,24H,5-7,11,13-15,17-18,28H2,(H2,30,31,32)/t19-,24+,27-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

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



Bristol-Myers Squibb Company

US Patent


Assay Description
Membranes were prepared from CHO cells expressing human S1P1. Cells pellets (1109 cells/pellet) were suspended in buffer containing 20 mM HEPES (4-(...


US Patent US10166249 (2019)

More data for this
Ligand-Target Pair
Sphingosine-1-phosphate lyase 1


(Homo sapiens)
BDBM65320
PNG
(US10166249, Example 635 | US9522888, 635)
Show SMILES CCCCC1CCc2cc(ccc2C1=O)[C@H]1CC[C@](N)(COP(O)(O)=O)C1
Show InChI InChI=1S/C20H30NO5P/c1-2-3-4-14-5-6-16-11-15(7-8-18(16)19(14)22)17-9-10-20(21,12-17)13-26-27(23,24)25/h7-8,11,14,17H,2-6,9-10,12-13,21H2,1H3,(H2,23,24,25)/t14?,17-,20+/m0/s1
PDB

KEGG

UniProtKB/SwissProt

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



Bristol-Myers Squibb Company

US Patent


Assay Description
Membranes were prepared from CHO cells expressing human S1P1. Cells pellets (1109 cells/pellet) were suspended in buffer containing 20 mM HEPES (4-(...


US Patent US10166249 (2019)

More data for this
Ligand-Target Pair
Sphingosine-1-phosphate lyase 1


(Homo sapiens)
BDBM313193
PNG
(US10166249, Example 421)
Show SMILES CCCCCCC1Cc2ccc(cc2CO1)[C@H]1CC[C@](N)(COP(O)(O)=O)C1
Show InChI InChI=1S/C21H34NO5P/c1-2-3-4-5-6-20-12-17-8-7-16(11-19(17)14-26-20)18-9-10-21(22,13-18)15-27-28(23,24)25/h7-8,11,18,20H,2-6,9-10,12-15,22H2,1H3,(H2,23,24,25)/t18-,20?,21+/m0/s1
PDB

KEGG

UniProtKB/SwissProt

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



Bristol-Myers Squibb Company

US Patent


Assay Description
Membranes were prepared from CHO cells expressing human S1P1. Cells pellets (1109 cells/pellet) were suspended in buffer containing 20 mM HEPES (4-(...


US Patent US10166249 (2019)

More data for this
Ligand-Target Pair
Displayed 1 to 50 (of 952 total )  |  Next  |  Last  >>
* indicates data uncertainty>20%