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Compile Data Set for Download or QSAR

Found 4 hits of ec50 data for polymerid = 2258,50004806,5790   
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=1/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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US Patent
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 ...


Citation and Details
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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n/an/an/an/a>2.40E+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 ...


Citation and Details
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 ...


Citation and Details
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 ...


Citation and Details
More data for this
Ligand-Target Pair