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Compile Data Set for Download or QSAR

Found 5 hits of ic50 for monomerid = 50185526   
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))
BDBM50185526
PNG
(2-(trans-5-(4-(5-(4-cyclohexylphenyl)-1,2,4-oxadia...)
Show SMILES OC(=O)C[C@@H]1CN[C@H](C1)c1ccc(cc1)-c1noc(n1)-c1ccc(cc1)C1CCCCC1
Show InChI InChI=1S/C26H29N3O3/c30-24(31)15-17-14-23(27-16-17)20-8-10-21(11-9-20)25-28-26(32-29-25)22-12-6-19(7-13-22)18-4-2-1-3-5-18/h6-13,17-18,23,27H,1-5,14-16H2,(H,30,31)/t17-,23-/m1/s1
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n/an/a 1.40n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [33P]S1P from human S1P1 receptor expressed in CHO cells


Bioorg Med Chem Lett 16: 3564-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.090
BindingDB Entry DOI: 10.7270/Q2WS8SWT
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 5


(Homo sapiens (Human))
BDBM50185526
PNG
(2-(trans-5-(4-(5-(4-cyclohexylphenyl)-1,2,4-oxadia...)
Show SMILES OC(=O)C[C@@H]1CN[C@H](C1)c1ccc(cc1)-c1noc(n1)-c1ccc(cc1)C1CCCCC1
Show InChI InChI=1S/C26H29N3O3/c30-24(31)15-17-14-23(27-16-17)20-8-10-21(11-9-20)25-28-26(32-29-25)22-12-6-19(7-13-22)18-4-2-1-3-5-18/h6-13,17-18,23,27H,1-5,14-16H2,(H,30,31)/t17-,23-/m1/s1
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n/an/a 57n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [33P]S1P from human S1P5 receptor expressed in CHO cells


Bioorg Med Chem Lett 16: 3564-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.090
BindingDB Entry DOI: 10.7270/Q2WS8SWT
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 4


(Homo sapiens (Human))
BDBM50185526
PNG
(2-(trans-5-(4-(5-(4-cyclohexylphenyl)-1,2,4-oxadia...)
Show SMILES OC(=O)C[C@@H]1CN[C@H](C1)c1ccc(cc1)-c1noc(n1)-c1ccc(cc1)C1CCCCC1
Show InChI InChI=1S/C26H29N3O3/c30-24(31)15-17-14-23(27-16-17)20-8-10-21(11-9-20)25-28-26(32-29-25)22-12-6-19(7-13-22)18-4-2-1-3-5-18/h6-13,17-18,23,27H,1-5,14-16H2,(H,30,31)/t17-,23-/m1/s1
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n/an/a 110n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [33P]S1P from human S1P4 receptor expressed in CHO cells


Bioorg Med Chem Lett 16: 3564-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.090
BindingDB Entry DOI: 10.7270/Q2WS8SWT
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM50185526
PNG
(2-(trans-5-(4-(5-(4-cyclohexylphenyl)-1,2,4-oxadia...)
Show SMILES OC(=O)C[C@@H]1CN[C@H](C1)c1ccc(cc1)-c1noc(n1)-c1ccc(cc1)C1CCCCC1
Show InChI InChI=1S/C26H29N3O3/c30-24(31)15-17-14-23(27-16-17)20-8-10-21(11-9-20)25-28-26(32-29-25)22-12-6-19(7-13-22)18-4-2-1-3-5-18/h6-13,17-18,23,27H,1-5,14-16H2,(H,30,31)/t17-,23-/m1/s1
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n/an/a 3.10E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [33P]S1P from human S1P3 receptor expressed in CHO cells


Bioorg Med Chem Lett 16: 3564-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.090
BindingDB Entry DOI: 10.7270/Q2WS8SWT
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 2


(Homo sapiens (Human))
BDBM50185526
PNG
(2-(trans-5-(4-(5-(4-cyclohexylphenyl)-1,2,4-oxadia...)
Show SMILES OC(=O)C[C@@H]1CN[C@H](C1)c1ccc(cc1)-c1noc(n1)-c1ccc(cc1)C1CCCCC1
Show InChI InChI=1S/C26H29N3O3/c30-24(31)15-17-14-23(27-16-17)20-8-10-21(11-9-20)25-28-26(32-29-25)22-12-6-19(7-13-22)18-4-2-1-3-5-18/h6-13,17-18,23,27H,1-5,14-16H2,(H,30,31)/t17-,23-/m1/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [33P]S1P from human S1P2 receptor expressed in CHO cells


Bioorg Med Chem Lett 16: 3564-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.090
BindingDB Entry DOI: 10.7270/Q2WS8SWT
More data for this
Ligand-Target Pair