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Compile Data Set for Download or QSAR

Found 40 hits from Akaal Pharma PTY LTD   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Sphingosine 1-phosphate receptor 1 (S1P1)


(Homo sapiens (Human))
BDBM60832
PNG
(US9181182, 23)
Show SMILES CC1(C)C2CC1C(CCOc1ccc(CCC(N)(CO)CO)cc1)CC2
Show InChI InChI=1S/C22H35NO3/c1-21(2)18-6-5-17(20(21)13-18)10-12-26-19-7-3-16(4-8-19)9-11-22(23,14-24)15-25/h3-4,7-8,17-18,20,24-25H,5-6,9-15,23H2,1-2H3
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n/an/an/an/a 1.24E+3n/an/an/an/a



Akaal Pharma PTY LTD

US Patent


Assay Description
Selected Compounds of the Examples were evaluated at Millipore Corporation, USA, using S1P1 receptor; [35S]-GTPgamaS binding assay. A [35S]-GTPgamaS ...


US Patent US9181182 (2015)


BindingDB Entry DOI: 10.7270/Q2XW4HMR
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM190520
PNG
(US9181182, 47)
Show SMILES CCCc1ccc(cc1CCC)-c1nc(no1)-c1cccc2N(CC(N)(CO)CO)CCc12
Show InChI InChI=1S/C26H34N4O3/c1-3-6-18-10-11-20(14-19(18)7-4-2)25-28-24(29-33-25)22-8-5-9-23-21(22)12-13-30(23)15-26(27,16-31)17-32/h5,8-11,14,31-32H,3-4,6-7,12-13,15-17,27H2,1-2H3
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n/an/an/an/a 96.5n/an/an/an/a



Akaal Pharma PTY LTD

US Patent


Assay Description
Selected Compounds of the Examples were evaluated at Millipore Corporation, USA, using S1P1 receptor; [35S]-GTPgamaS binding assay. A [35S]-GTPgamaS ...


US Patent US9181182 (2015)


BindingDB Entry DOI: 10.7270/Q2XW4HMR
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (S1P1)


(Homo sapiens (Human))
BDBM60834
PNG
(US9181182, 30)
Show SMILES COc1ccc(cc1C12CC3CC(CC(C3)C1)C2)-c1nc(no1)-c1ccc2N(CC(N)(CO)CO)CCc2c1
Show InChI InChI=1S/C31H38N4O4/c1-38-27-5-3-24(12-25(27)30-13-19-8-20(14-30)10-21(9-19)15-30)29-33-28(34-39-29)23-2-4-26-22(11-23)6-7-35(26)16-31(32,17-36)18-37/h2-5,11-12,19-21,36-37H,6-10,13-18,32H2,1H3
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n/an/an/an/a>5.54E+4n/an/an/an/a



Akaal Pharma PTY LTD

US Patent


Assay Description
Selected Compounds of the Examples were evaluated at Millipore Corporation, USA, using S1P1 receptor; [35S]-GTPgamaS binding assay. A [35S]-GTPgamaS ...


US Patent US9181182 (2015)


BindingDB Entry DOI: 10.7270/Q2XW4HMR
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (S1P1)


(Homo sapiens (Human))
BDBM60835
PNG
(US9181182, 63)
Show SMILES CCCCCCCCOc1ccc(CCC(N)(CO)CO)cc1C12CC3CC(CC(C3)C1)C2
Show InChI InChI=1S/C29H47NO3/c1-2-3-4-5-6-7-12-33-27-9-8-22(10-11-29(30,20-31)21-32)16-26(27)28-17-23-13-24(18-28)15-25(14-23)19-28/h8-9,16,23-25,31-32H,2-7,10-15,17-21,30H2,1H3
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n/an/an/an/a>4.00E+4n/an/an/an/a



Akaal Pharma PTY LTD

US Patent


Assay Description
Selected Compounds of the Examples were evaluated at Millipore Corporation, USA, using S1P1 receptor; [35S]-GTPgamaS binding assay. A [35S]-GTPgamaS ...


US Patent US9181182 (2015)


BindingDB Entry DOI: 10.7270/Q2XW4HMR
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor


(Homo sapiens (Human))
BDBM190497
PNG
(US9181182, 1)
Show SMILES CCCCCCCCc1ccc(NCC(N)(CO)CO)cc1
Show InChI InChI=1S/C18H32N2O2/c1-2-3-4-5-6-7-8-16-9-11-17(12-10-16)20-13-18(19,14-21)15-22/h9-12,20-22H,2-8,13-15,19H2,1H3
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n/an/an/an/a>2.50E+4n/an/an/an/a



Akaal Pharma PTY LTD

US Patent


Assay Description
Selected Compounds of the Examples were evaluated at Millipore Corporation, USA, using S1P1 receptor; [35S]-GTPgamaS binding assay. A [35S]-GTPgamaS ...


US Patent US9181182 (2015)


BindingDB Entry DOI: 10.7270/Q2XW4HMR
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor


(Homo sapiens (Human))
BDBM190498
PNG
(US9181182, 2)
Show SMILES CCCCCCCCc1ccc2CN(CC(N)(CO)CO)Cc2c1
Show InChI InChI=1S/C20H34N2O2/c1-2-3-4-5-6-7-8-17-9-10-18-12-22(13-19(18)11-17)14-20(21,15-23)16-24/h9-11,23-24H,2-8,12-16,21H2,1H3
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n/an/an/an/a 1.56E+3n/an/an/an/a



Akaal Pharma PTY LTD

US Patent


Assay Description
Selected Compounds of the Examples were evaluated at Millipore Corporation, USA, using S1P1 receptor; [35S]-GTPgamaS binding assay. A [35S]-GTPgamaS ...


US Patent US9181182 (2015)


BindingDB Entry DOI: 10.7270/Q2XW4HMR
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor


(Homo sapiens (Human))
BDBM190499
PNG
(US9181182, 3)
Show SMILES CCCCCCCCc1ccc2N(CC(N)(CO)CO)CCc2c1
Show InChI InChI=1S/C20H34N2O2/c1-2-3-4-5-6-7-8-17-9-10-19-18(13-17)11-12-22(19)14-20(21,15-23)16-24/h9-10,13,23-24H,2-8,11-12,14-16,21H2,1H3
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n/an/an/an/a 2.11E+3n/an/an/an/a



Akaal Pharma PTY LTD

US Patent


Assay Description
Selected Compounds of the Examples were evaluated at Millipore Corporation, USA, using S1P1 receptor; [35S]-GTPgamaS binding assay. A [35S]-GTPgamaS ...


US Patent US9181182 (2015)


BindingDB Entry DOI: 10.7270/Q2XW4HMR
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor


(Homo sapiens (Human))
BDBM190500
PNG
(US9181182, 9)
Show SMILES CCCCCCCCc1ccc2N(CC(N)(CO)CO)CCCc2c1
Show InChI InChI=1S/C21H36N2O2/c1-2-3-4-5-6-7-9-18-11-12-20-19(14-18)10-8-13-23(20)15-21(22,16-24)17-25/h11-12,14,24-25H,2-10,13,15-17,22H2,1H3
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n/an/an/an/a>860n/an/an/an/a



Akaal Pharma PTY LTD

US Patent


Assay Description
Selected Compounds of the Examples were evaluated at Millipore Corporation, USA, using S1P1 receptor; [35S]-GTPgamaS binding assay. A [35S]-GTPgamaS ...


US Patent US9181182 (2015)


BindingDB Entry DOI: 10.7270/Q2XW4HMR
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor


(Homo sapiens (Human))
BDBM190501
PNG
(US9181182, 8)
Show SMILES NC(CO)(CO)CN1CCc2cc(OCc3cc4c(Cl)cc(Cl)cc4o3)ccc12
Show InChI InChI=1S/C21H22Cl2N2O4/c22-14-6-18(23)17-8-16(29-20(17)7-14)9-28-15-1-2-19-13(5-15)3-4-25(19)10-21(24,11-26)12-27/h1-2,5-8,26-27H,3-4,9-12,24H2
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n/an/an/an/a 131n/an/an/an/a



Akaal Pharma PTY LTD

US Patent


Assay Description
Selected Compounds of the Examples were evaluated at Millipore Corporation, USA, using S1P1 receptor; [35S]-GTPgamaS binding assay. A [35S]-GTPgamaS ...


US Patent US9181182 (2015)


BindingDB Entry DOI: 10.7270/Q2XW4HMR
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor


(Homo sapiens (Human))
BDBM190502
PNG
(US9181182, 7)
Show SMILES COc1ccc(cc1Cl)-c1nc(no1)-c1ccc2N(CC(N)(CO)CO)CCc2c1
Show InChI InChI=1S/C21H23ClN4O4/c1-29-18-5-3-15(9-16(18)22)20-24-19(25-30-20)14-2-4-17-13(8-14)6-7-26(17)10-21(23,11-27)12-28/h2-5,8-9,27-28H,6-7,10-12,23H2,1H3
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n/an/an/an/a 783n/an/an/an/a



Akaal Pharma PTY LTD

US Patent


Assay Description
Selected Compounds of the Examples were evaluated at Millipore Corporation, USA, using S1P1 receptor; [35S]-GTPgamaS binding assay. A [35S]-GTPgamaS ...


US Patent US9181182 (2015)


BindingDB Entry DOI: 10.7270/Q2XW4HMR
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor


(Homo sapiens (Human))
BDBM190503
PNG
(US9181182, 34)
Show SMILES CCOc1ccc(cc1OCC)-c1nc(no1)-c1cccc2N(CC(N)(CO)CO)CCc12
Show InChI InChI=1S/C24H30N4O5/c1-3-31-20-9-8-16(12-21(20)32-4-2)23-26-22(27-33-23)18-6-5-7-19-17(18)10-11-28(19)13-24(25,14-29)15-30/h5-9,12,29-30H,3-4,10-11,13-15,25H2,1-2H3
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n/an/an/an/a 6.80n/an/an/an/a



Akaal Pharma PTY LTD

US Patent


Assay Description
Selected Compounds of the Examples were evaluated at Millipore Corporation, USA, using S1P1 receptor; [35S]-GTPgamaS binding assay. A [35S]-GTPgamaS ...


US Patent US9181182 (2015)


BindingDB Entry DOI: 10.7270/Q2XW4HMR
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor


(Homo sapiens (Human))
BDBM190504
PNG
(US9181182, 35)
Show SMILES CCOc1ccc(cc1OCC)-c1nc(no1)-c1cccc2n(CC(N)(CO)CO)ccc12
Show InChI InChI=1S/C24H28N4O5/c1-3-31-20-9-8-16(12-21(20)32-4-2)23-26-22(27-33-23)18-6-5-7-19-17(18)10-11-28(19)13-24(25,14-29)15-30/h5-12,29-30H,3-4,13-15,25H2,1-2H3
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n/an/an/an/a 54n/an/an/an/a



Akaal Pharma PTY LTD

US Patent


Assay Description
Selected Compounds of the Examples were evaluated at Millipore Corporation, USA, using S1P1 receptor; [35S]-GTPgamaS binding assay. A [35S]-GTPgamaS ...


US Patent US9181182 (2015)


BindingDB Entry DOI: 10.7270/Q2XW4HMR
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor


(Homo sapiens (Human))
BDBM190505
PNG
(US9181182, 36)
Show SMILES NC(CO)(CO)CN1CCc2c1cccc2-c1noc(n1)-c1ccc(cc1)-c1ccccc1C(F)(F)F
Show InChI InChI=1S/C27H25F3N4O3/c28-27(29,30)22-6-2-1-4-19(22)17-8-10-18(11-9-17)25-32-24(33-37-25)21-5-3-7-23-20(21)12-13-34(23)14-26(31,15-35)16-36/h1-11,35-36H,12-16,31H2
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n/an/an/an/a 501n/an/an/an/a



Akaal Pharma PTY LTD

US Patent


Assay Description
Selected Compounds of the Examples were evaluated at Millipore Corporation, USA, using S1P1 receptor; [35S]-GTPgamaS binding assay. A [35S]-GTPgamaS ...


US Patent US9181182 (2015)


BindingDB Entry DOI: 10.7270/Q2XW4HMR
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor


(Homo sapiens (Human))
BDBM190506
PNG
(US9181182, 39)
Show SMILES NC(CO)(CO)CN1CCc2cc(OCc3ccc(cc3)-c3ccccc3C(F)(F)F)ccc2C1
Show InChI InChI=1S/C27H29F3N2O3/c28-27(29,30)25-4-2-1-3-24(25)20-7-5-19(6-8-20)15-35-23-10-9-22-14-32(12-11-21(22)13-23)16-26(31,17-33)18-34/h1-10,13,33-34H,11-12,14-18,31H2
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n/an/an/an/a>3.24E+3n/an/an/an/a



Akaal Pharma PTY LTD

US Patent


Assay Description
Selected Compounds of the Examples were evaluated at Millipore Corporation, USA, using S1P1 receptor; [35S]-GTPgamaS binding assay. A [35S]-GTPgamaS ...


US Patent US9181182 (2015)


BindingDB Entry DOI: 10.7270/Q2XW4HMR
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor


(Homo sapiens (Human))
BDBM190507
PNG
(US9181182, 40)
Show SMILES CCOc1ccc(cc1OCC)-c1nc(no1)-c1ccc2N(CC(N)(CO)CO)CCc2c1
Show InChI InChI=1S/C24H30N4O5/c1-3-31-20-8-6-18(12-21(20)32-4-2)23-26-22(27-33-23)17-5-7-19-16(11-17)9-10-28(19)13-24(25,14-29)15-30/h5-8,11-12,29-30H,3-4,9-10,13-15,25H2,1-2H3
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n/an/an/an/a 344n/an/an/an/a



Akaal Pharma PTY LTD

US Patent


Assay Description
Selected Compounds of the Examples were evaluated at Millipore Corporation, USA, using S1P1 receptor; [35S]-GTPgamaS binding assay. A [35S]-GTPgamaS ...


US Patent US9181182 (2015)


BindingDB Entry DOI: 10.7270/Q2XW4HMR
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor


(Homo sapiens (Human))
BDBM190508
PNG
(US9181182, 41(a))
Show SMILES NC(CO)(CO)CN1CCc2c1cccc2OCc1cc2c(Cl)cc(Cl)cc2o1
Show InChI InChI=1S/C21H22Cl2N2O4/c22-13-6-17(23)16-8-14(29-20(16)7-13)9-28-19-3-1-2-18-15(19)4-5-25(18)10-21(24,11-26)12-27/h1-3,6-8,26-27H,4-5,9-12,24H2
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n/an/an/an/a>1.36E+3n/an/an/an/a



Akaal Pharma PTY LTD

US Patent


Assay Description
Selected Compounds of the Examples were evaluated at Millipore Corporation, USA, using S1P1 receptor; [35S]-GTPgamaS binding assay. A [35S]-GTPgamaS ...


US Patent US9181182 (2015)


BindingDB Entry DOI: 10.7270/Q2XW4HMR
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor


(Homo sapiens (Human))
BDBM190509
PNG
(US9181182, 41(b))
Show SMILES CC(C)(C)OC(=O)NC(CO)(CO)CN1CCc2c1cccc2OCc1cc2c(Cl)cc(Cl)cc2o1
Show InChI InChI=1S/C26H30Cl2N2O6/c1-25(2,3)36-24(33)29-26(14-31,15-32)13-30-8-7-18-21(30)5-4-6-22(18)34-12-17-11-19-20(28)9-16(27)10-23(19)35-17/h4-6,9-11,31-32H,7-8,12-15H2,1-3H3,(H,29,33)
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n/an/an/an/a>2.90E+4n/an/an/an/a



Akaal Pharma PTY LTD

US Patent


Assay Description
Selected Compounds of the Examples were evaluated at Millipore Corporation, USA, using S1P1 receptor; [35S]-GTPgamaS binding assay. A [35S]-GTPgamaS ...


US Patent US9181182 (2015)


BindingDB Entry DOI: 10.7270/Q2XW4HMR
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor


(Homo sapiens (Human))
BDBM190510
PNG
(US9181182, 42)
Show SMILES Cc1cc2cc(ccc2o1)-c1nc(no1)-c1cccc2N(CC(N)(CO)CO)CCc12
Show InChI InChI=1S/C23H24N4O4/c1-14-9-16-10-15(5-6-20(16)30-14)22-25-21(26-31-22)18-3-2-4-19-17(18)7-8-27(19)11-23(24,12-28)13-29/h2-6,9-10,28-29H,7-8,11-13,24H2,1H3
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n/an/an/an/a 1.42E+3n/an/an/an/a



Akaal Pharma PTY LTD

US Patent


Assay Description
Selected Compounds of the Examples were evaluated at Millipore Corporation, USA, using S1P1 receptor; [35S]-GTPgamaS binding assay. A [35S]-GTPgamaS ...


US Patent US9181182 (2015)


BindingDB Entry DOI: 10.7270/Q2XW4HMR
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor


(Homo sapiens (Human))
BDBM190511
PNG
(US9181182, 12)
Show SMILES NC(CO)(CO)CCc1ccc(CCc2ccc(cc2)C(=O)c2ccc(F)cc2)cc1
Show InChI InChI=1S/C26H28FNO3/c27-24-13-11-23(12-14-24)25(31)22-9-7-20(8-10-22)2-1-19-3-5-21(6-4-19)15-16-26(28,17-29)18-30/h3-14,29-30H,1-2,15-18,28H2
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n/an/an/an/a 1.82E+3n/an/an/an/a



Akaal Pharma PTY LTD

US Patent


Assay Description
Selected Compounds of the Examples were evaluated at Millipore Corporation, USA, using S1P1 receptor; [35S]-GTPgamaS binding assay. A [35S]-GTPgamaS ...


US Patent US9181182 (2015)


BindingDB Entry DOI: 10.7270/Q2XW4HMR
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor


(Homo sapiens (Human))
BDBM190512
PNG
(US9181182, 10)
Show SMILES CCCCCCCCc1ccc2CN(CC(N)(CO)CO)CCc2c1
Show InChI InChI=1S/C21H36N2O2/c1-2-3-4-5-6-7-8-18-9-10-20-14-23(12-11-19(20)13-18)15-21(22,16-24)17-25/h9-10,13,24-25H,2-8,11-12,14-17,22H2,1H3
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n/an/an/an/a>510n/an/an/an/a



Akaal Pharma PTY LTD

US Patent


Assay Description
Selected Compounds of the Examples were evaluated at Millipore Corporation, USA, using S1P1 receptor; [35S]-GTPgamaS binding assay. A [35S]-GTPgamaS ...


US Patent US9181182 (2015)


BindingDB Entry DOI: 10.7270/Q2XW4HMR
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor


(Homo sapiens (Human))
BDBM190513
PNG
(US9181182, 49)
Show SMILES CCOc1ccc(cc1Cl)-c1nc(no1)-c1cccc2n(CC(N)(CO)CO)ccc12
Show InChI InChI=1S/C22H23ClN4O4/c1-2-30-19-7-6-14(10-17(19)23)21-25-20(26-31-21)16-4-3-5-18-15(16)8-9-27(18)11-22(24,12-28)13-29/h3-10,28-29H,2,11-13,24H2,1H3
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Akaal Pharma PTY LTD

US Patent


Assay Description
Selected Compounds of the Examples were evaluated at Millipore Corporation, USA, using S1P1 receptor; [35S]-GTPgamaS binding assay. A [35S]-GTPgamaS ...


US Patent US9181182 (2015)


BindingDB Entry DOI: 10.7270/Q2XW4HMR
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor


(Homo sapiens (Human))
BDBM190514
PNG
(US9181182, 50)
Show SMILES CCCOc1ccc(cc1Cl)-c1nc(no1)-c1cccc2N(CC(N)(CO)CO)CCc12
Show InChI InChI=1S/C23H27ClN4O4/c1-2-10-31-20-7-6-15(11-18(20)24)22-26-21(27-32-22)17-4-3-5-19-16(17)8-9-28(19)12-23(25,13-29)14-30/h3-7,11,29-30H,2,8-10,12-14,25H2,1H3
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Akaal Pharma PTY LTD

US Patent


Assay Description
Selected Compounds of the Examples were evaluated at Millipore Corporation, USA, using S1P1 receptor; [35S]-GTPgamaS binding assay. A [35S]-GTPgamaS ...


US Patent US9181182 (2015)


BindingDB Entry DOI: 10.7270/Q2XW4HMR
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor


(Homo sapiens (Human))
BDBM190515
PNG
(US9181182, 55)
Show SMILES CCOc1ccc(cc1OC)-c1nc(no1)-c1cccc2N(CC(N)(CO)CO)CCc12
Show InChI InChI=1S/C23H28N4O5/c1-3-31-19-8-7-15(11-20(19)30-2)22-25-21(26-32-22)17-5-4-6-18-16(17)9-10-27(18)12-23(24,13-28)14-29/h4-8,11,28-29H,3,9-10,12-14,24H2,1-2H3
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Akaal Pharma PTY LTD

US Patent


Assay Description
Selected Compounds of the Examples were evaluated at Millipore Corporation, USA, using S1P1 receptor; [35S]-GTPgamaS binding assay. A [35S]-GTPgamaS ...


US Patent US9181182 (2015)


BindingDB Entry DOI: 10.7270/Q2XW4HMR
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor


(Homo sapiens (Human))
BDBM190516
PNG
(US9181182, 58)
Show SMILES CCOc1ccc(cc1OCC)-c1nc(no1)-c1ccc(cc1)C1=CCN(CC(N)(CO)CO)CC1
Show InChI InChI=1S/C27H34N4O5/c1-3-34-23-10-9-22(15-24(23)35-4-2)26-29-25(30-36-26)21-7-5-19(6-8-21)20-11-13-31(14-12-20)16-27(28,17-32)18-33/h5-11,15,32-33H,3-4,12-14,16-18,28H2,1-2H3
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Akaal Pharma PTY LTD

US Patent


Assay Description
Selected Compounds of the Examples were evaluated at Millipore Corporation, USA, using S1P1 receptor; [35S]-GTPgamaS binding assay. A [35S]-GTPgamaS ...


US Patent US9181182 (2015)


BindingDB Entry DOI: 10.7270/Q2XW4HMR
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor


(Homo sapiens (Human))
BDBM190517
PNG
(US9181182, 59)
Show SMILES NC(CO)(CO)CN1CCc2cc(CCc3ccc(cc3)-c3ccccc3C(F)(F)F)ccc12
Show InChI InChI=1S/C27H29F3N2O2/c28-27(29,30)24-4-2-1-3-23(24)21-10-7-19(8-11-21)5-6-20-9-12-25-22(15-20)13-14-32(25)16-26(31,17-33)18-34/h1-4,7-12,15,33-34H,5-6,13-14,16-18,31H2
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Akaal Pharma PTY LTD

US Patent


Assay Description
Selected Compounds of the Examples were evaluated at Millipore Corporation, USA, using S1P1 receptor; [35S]-GTPgamaS binding assay. A [35S]-GTPgamaS ...


US Patent US9181182 (2015)


BindingDB Entry DOI: 10.7270/Q2XW4HMR
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor


(Homo sapiens (Human))
BDBM190518
PNG
(US9181182, 65)
Show SMILES CCOc1ccc(cc1OCC)-c1nc(no1)-c1ccc2CN(CC(N)(CO)CO)Cc2c1
Show InChI InChI=1S/C24H30N4O5/c1-3-31-20-8-7-17(10-21(20)32-4-2)23-26-22(27-33-23)16-5-6-18-11-28(12-19(18)9-16)13-24(25,14-29)15-30/h5-10,29-30H,3-4,11-15,25H2,1-2H3
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Akaal Pharma PTY LTD

US Patent


Assay Description
Selected Compounds of the Examples were evaluated at Millipore Corporation, USA, using S1P1 receptor; [35S]-GTPgamaS binding assay. A [35S]-GTPgamaS ...


US Patent US9181182 (2015)


BindingDB Entry DOI: 10.7270/Q2XW4HMR
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor


(Homo sapiens (Human))
BDBM190519
PNG
(US9181182, 43)
Show SMILES CCCOc1ccc(cc1OCCC)-c1nc(no1)-c1cccc2N(CC(N)(CO)CO)CCc12
Show InChI InChI=1S/C26H34N4O5/c1-3-12-33-22-9-8-18(14-23(22)34-13-4-2)25-28-24(29-35-25)20-6-5-7-21-19(20)10-11-30(21)15-26(27,16-31)17-32/h5-9,14,31-32H,3-4,10-13,15-17,27H2,1-2H3
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Akaal Pharma PTY LTD

US Patent


Assay Description
Selected Compounds of the Examples were evaluated at Millipore Corporation, USA, using S1P1 receptor; [35S]-GTPgamaS binding assay. A [35S]-GTPgamaS ...


US Patent US9181182 (2015)


BindingDB Entry DOI: 10.7270/Q2XW4HMR
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor


(Homo sapiens (Human))
BDBM190520
PNG
(US9181182, 47)
Show SMILES CCCc1ccc(cc1CCC)-c1nc(no1)-c1cccc2N(CC(N)(CO)CO)CCc12
Show InChI InChI=1S/C26H34N4O3/c1-3-6-18-10-11-20(14-19(18)7-4-2)25-28-24(29-33-25)22-8-5-9-23-21(22)12-13-30(23)15-26(27,16-31)17-32/h5,8-11,14,31-32H,3-4,6-7,12-13,15-17,27H2,1-2H3
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Akaal Pharma PTY LTD

US Patent


Assay Description
Selected Compounds of the Examples were evaluated at Millipore Corporation, USA, using S1P1 receptor; [35S]-GTPgamaS binding assay. A [35S]-GTPgamaS ...


US Patent US9181182 (2015)


BindingDB Entry DOI: 10.7270/Q2XW4HMR
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor


(Homo sapiens (Human))
BDBM190521
PNG
(US9181182, 46)
Show SMILES CCCOc1ccc(cc1N)-c1nc(no1)-c1cccc2N(CC(N)(CO)CO)CCc12
Show InChI InChI=1S/C23H29N5O4/c1-2-10-31-20-7-6-15(11-18(20)24)22-26-21(27-32-22)17-4-3-5-19-16(17)8-9-28(19)12-23(25,13-29)14-30/h3-7,11,29-30H,2,8-10,12-14,24-25H2,1H3
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Akaal Pharma PTY LTD

US Patent


Assay Description
Selected Compounds of the Examples were evaluated at Millipore Corporation, USA, using S1P1 receptor; [35S]-GTPgamaS binding assay. A [35S]-GTPgamaS ...


US Patent US9181182 (2015)


BindingDB Entry DOI: 10.7270/Q2XW4HMR
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor


(Homo sapiens (Human))
BDBM190522
PNG
(US9181182, 44)
Show SMILES CCCOc1ccc(cc1I)-c1nc(no1)-c1cccc2N(CC(N)(CO)CO)CCc12
Show InChI InChI=1S/C23H27IN4O4/c1-2-10-31-20-7-6-15(11-18(20)24)22-26-21(27-32-22)17-4-3-5-19-16(17)8-9-28(19)12-23(25,13-29)14-30/h3-7,11,29-30H,2,8-10,12-14,25H2,1H3
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Akaal Pharma PTY LTD

US Patent


Assay Description
Selected Compounds of the Examples were evaluated at Millipore Corporation, USA, using S1P1 receptor; [35S]-GTPgamaS binding assay. A [35S]-GTPgamaS ...


US Patent US9181182 (2015)


BindingDB Entry DOI: 10.7270/Q2XW4HMR
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor


(Homo sapiens (Human))
BDBM190523
PNG
(US9181182, 48)
Show SMILES CCCc1ccc(cc1)-c1nc(no1)-c1cccc2N(CC(N)(CO)CO)CCc12
Show InChI InChI=1S/C23H28N4O3/c1-2-4-16-7-9-17(10-8-16)22-25-21(26-30-22)19-5-3-6-20-18(19)11-12-27(20)13-23(24,14-28)15-29/h3,5-10,28-29H,2,4,11-15,24H2,1H3
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Akaal Pharma PTY LTD

US Patent


Assay Description
Selected Compounds of the Examples were evaluated at Millipore Corporation, USA, using S1P1 receptor; [35S]-GTPgamaS binding assay. A [35S]-GTPgamaS ...


US Patent US9181182 (2015)


BindingDB Entry DOI: 10.7270/Q2XW4HMR
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor


(Homo sapiens (Human))
BDBM190524
PNG
(US9181182, 52)
Show SMILES CCCCOc1ccc(cc1Cl)-c1nc(no1)-c1ccc2N(CC(N)(CO)CO)CCc2c1
Show InChI InChI=1S/C24H29ClN4O4/c1-2-3-10-32-21-7-5-18(12-19(21)25)23-27-22(28-33-23)17-4-6-20-16(11-17)8-9-29(20)13-24(26,14-30)15-31/h4-7,11-12,30-31H,2-3,8-10,13-15,26H2,1H3
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Akaal Pharma PTY LTD

US Patent


Assay Description
Selected Compounds of the Examples were evaluated at Millipore Corporation, USA, using S1P1 receptor; [35S]-GTPgamaS binding assay. A [35S]-GTPgamaS ...


US Patent US9181182 (2015)


BindingDB Entry DOI: 10.7270/Q2XW4HMR
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor


(Homo sapiens (Human))
BDBM190525
PNG
(US9181182, 54)
Show SMILES CCCCCOc1ccc(cc1Cl)-c1nc(no1)-c1ccc2N(CC(N)(CO)CO)CCc2c1
Show InChI InChI=1S/C25H31ClN4O4/c1-2-3-4-11-33-22-8-6-19(13-20(22)26)24-28-23(29-34-24)18-5-7-21-17(12-18)9-10-30(21)14-25(27,15-31)16-32/h5-8,12-13,31-32H,2-4,9-11,14-16,27H2,1H3
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Akaal Pharma PTY LTD

US Patent


Assay Description
Selected Compounds of the Examples were evaluated at Millipore Corporation, USA, using S1P1 receptor; [35S]-GTPgamaS binding assay. A [35S]-GTPgamaS ...


US Patent US9181182 (2015)


BindingDB Entry DOI: 10.7270/Q2XW4HMR
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor


(Homo sapiens (Human))
BDBM190526
PNG
(US9181182, 56)
Show SMILES CCCOc1ccc(cc1Br)-c1nc(no1)-c1ccc2N(CC(N)(CO)CO)CCc2c1
Show InChI InChI=1S/C23H27BrN4O4/c1-2-9-31-20-6-4-17(11-18(20)24)22-26-21(27-32-22)16-3-5-19-15(10-16)7-8-28(19)12-23(25,13-29)14-30/h3-6,10-11,29-30H,2,7-9,12-14,25H2,1H3
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Akaal Pharma PTY LTD

US Patent


Assay Description
Selected Compounds of the Examples were evaluated at Millipore Corporation, USA, using S1P1 receptor; [35S]-GTPgamaS binding assay. A [35S]-GTPgamaS ...


US Patent US9181182 (2015)


BindingDB Entry DOI: 10.7270/Q2XW4HMR
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor


(Homo sapiens (Human))
BDBM190527
PNG
(US9181182, 51)
Show SMILES CC(C)Oc1ccc(cc1Cl)-c1nc(no1)-c1ccc2N(CC(N)(CO)CO)CCc2c1
Show InChI InChI=1S/C23H27ClN4O4/c1-14(2)31-20-6-4-17(10-18(20)24)22-26-21(27-32-22)16-3-5-19-15(9-16)7-8-28(19)11-23(25,12-29)13-30/h3-6,9-10,14,29-30H,7-8,11-13,25H2,1-2H3
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Akaal Pharma PTY LTD

US Patent


Assay Description
Selected Compounds of the Examples were evaluated at Millipore Corporation, USA, using S1P1 receptor; [35S]-GTPgamaS binding assay. A [35S]-GTPgamaS ...


US Patent US9181182 (2015)


BindingDB Entry DOI: 10.7270/Q2XW4HMR
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM190503
PNG
(US9181182, 34)
Show SMILES CCOc1ccc(cc1OCC)-c1nc(no1)-c1cccc2N(CC(N)(CO)CO)CCc12
Show InChI InChI=1S/C24H30N4O5/c1-3-31-20-9-8-16(12-21(20)32-4-2)23-26-22(27-33-23)18-6-5-7-19-17(18)10-11-28(19)13-24(25,14-29)15-30/h5-9,12,29-30H,3-4,10-11,13-15,25H2,1-2H3
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Akaal Pharma PTY LTD

US Patent


Assay Description
Selected Compounds of the Examples were evaluated at Millipore Corporation, USA, using S1P1 receptor; [35S]-GTPgamaS binding assay. A [35S]-GTPgamaS ...


US Patent US9181182 (2015)


BindingDB Entry DOI: 10.7270/Q2XW4HMR
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM190507
PNG
(US9181182, 40)
Show SMILES CCOc1ccc(cc1OCC)-c1nc(no1)-c1ccc2N(CC(N)(CO)CO)CCc2c1
Show InChI InChI=1S/C24H30N4O5/c1-3-31-20-8-6-18(12-21(20)32-4-2)23-26-22(27-33-23)17-5-7-19-16(11-17)9-10-28(19)13-24(25,14-29)15-30/h5-8,11-12,29-30H,3-4,9-10,13-15,25H2,1-2H3
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Akaal Pharma PTY LTD

US Patent


Assay Description
Selected Compounds of the Examples were evaluated at Millipore Corporation, USA, using S1P1 receptor; [35S]-GTPgamaS binding assay. A [35S]-GTPgamaS ...


US Patent US9181182 (2015)


BindingDB Entry DOI: 10.7270/Q2XW4HMR
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM190518
PNG
(US9181182, 65)
Show SMILES CCOc1ccc(cc1OCC)-c1nc(no1)-c1ccc2CN(CC(N)(CO)CO)Cc2c1
Show InChI InChI=1S/C24H30N4O5/c1-3-31-20-8-7-17(10-21(20)32-4-2)23-26-22(27-33-23)16-5-6-18-11-28(12-19(18)9-16)13-24(25,14-29)15-30/h5-10,29-30H,3-4,11-15,25H2,1-2H3
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Akaal Pharma PTY LTD

US Patent


Assay Description
Selected Compounds of the Examples were evaluated at Millipore Corporation, USA, using S1P1 receptor; [35S]-GTPgamaS binding assay. A [35S]-GTPgamaS ...


US Patent US9181182 (2015)


BindingDB Entry DOI: 10.7270/Q2XW4HMR
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM190519
PNG
(US9181182, 43)
Show SMILES CCCOc1ccc(cc1OCCC)-c1nc(no1)-c1cccc2N(CC(N)(CO)CO)CCc12
Show InChI InChI=1S/C26H34N4O5/c1-3-12-33-22-9-8-18(14-23(22)34-13-4-2)25-28-24(29-35-25)20-6-5-7-21-19(20)10-11-30(21)15-26(27,16-31)17-32/h5-9,14,31-32H,3-4,10-13,15-17,27H2,1-2H3
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Akaal Pharma PTY LTD

US Patent


Assay Description
Selected Compounds of the Examples were evaluated at Millipore Corporation, USA, using S1P1 receptor; [35S]-GTPgamaS binding assay. A [35S]-GTPgamaS ...


US Patent US9181182 (2015)


BindingDB Entry DOI: 10.7270/Q2XW4HMR
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (S1P1)


(Homo sapiens (Human))
BDBM60833
PNG
(US9181182, 33)
Show SMILES COc1cc(ccc1C12CC3CC(CC(C3)C1)C2)-c1nc(no1)-c1ccc2N(CC(N)(CO)CO)CCc2c1
Show InChI InChI=1S/C31H38N4O4/c1-38-27-12-24(2-4-25(27)30-13-19-8-20(14-30)10-21(9-19)15-30)29-33-28(34-39-29)23-3-5-26-22(11-23)6-7-35(26)16-31(32,17-36)18-37/h2-5,11-12,19-21,36-37H,6-10,13-18,32H2,1H3
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Akaal Pharma PTY LTD

US Patent


Assay Description
Selected Compounds of the Examples were evaluated at Millipore Corporation, USA, using S1P1 receptor; [35S]-GTPgamaS binding assay. A [35S]-GTPgamaS ...


US Patent US9181182 (2015)


BindingDB Entry DOI: 10.7270/Q2XW4HMR
More data for this
Ligand-Target Pair