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BDBM50186917 3-(4-(5-(4-cyclohexylphenyl)-1,2,4-oxadiazol-3-yl)-3-methylphenyl)propanoic acid::CHEMBL208168

SMILES: Cc1cc(CCC(O)=O)ccc1-c1noc(n1)-c1ccc(cc1)C1CCCCC1

InChI Key: InChIKey=VQPXDLUPXBLILC-UHFFFAOYSA-N

Data: 5 EC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50186917   
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 2


(Homo sapiens (Human))
BDBM50186917
PNG
(3-(4-(5-(4-cyclohexylphenyl)-1,2,4-oxadiazol-3-yl)...)
Show SMILES Cc1cc(CCC(O)=O)ccc1-c1noc(n1)-c1ccc(cc1)C1CCCCC1
Show InChI InChI=1S/C24H26N2O3/c1-16-15-17(8-14-22(27)28)7-13-21(16)23-25-24(29-26-23)20-11-9-19(10-12-20)18-5-3-2-4-6-18/h7,9-13,15,18H,2-6,8,14H2,1H3,(H,27,28)
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n/an/an/an/a>1.00E+4n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Activity at S1P2 receptor expressed in CHO cells measured as S1P-induced [35S]GTPgammaS uptake


Bioorg Med Chem Lett 16: 3679-83 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.084
BindingDB Entry DOI: 10.7270/Q2J67GJ8
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 5


(Homo sapiens (Human))
BDBM50186917
PNG
(3-(4-(5-(4-cyclohexylphenyl)-1,2,4-oxadiazol-3-yl)...)
Show SMILES Cc1cc(CCC(O)=O)ccc1-c1noc(n1)-c1ccc(cc1)C1CCCCC1
Show InChI InChI=1S/C24H26N2O3/c1-16-15-17(8-14-22(27)28)7-13-21(16)23-25-24(29-26-23)20-11-9-19(10-12-20)18-5-3-2-4-6-18/h7,9-13,15,18H,2-6,8,14H2,1H3,(H,27,28)
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n/an/an/an/a 591n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at S1P5 receptor expressed in CHO cells measured as S1P-induced [35S]GTPgammaS uptake


Bioorg Med Chem Lett 16: 3679-83 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.084
BindingDB Entry DOI: 10.7270/Q2J67GJ8
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50186917
PNG
(3-(4-(5-(4-cyclohexylphenyl)-1,2,4-oxadiazol-3-yl)...)
Show SMILES Cc1cc(CCC(O)=O)ccc1-c1noc(n1)-c1ccc(cc1)C1CCCCC1
Show InChI InChI=1S/C24H26N2O3/c1-16-15-17(8-14-22(27)28)7-13-21(16)23-25-24(29-26-23)20-11-9-19(10-12-20)18-5-3-2-4-6-18/h7,9-13,15,18H,2-6,8,14H2,1H3,(H,27,28)
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n/an/an/an/a 0.5n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at S1P1 receptor expressed in CHO cells measured as S1P-induced [35S]GTPgammaS uptake


Bioorg Med Chem Lett 16: 3679-83 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.084
BindingDB Entry DOI: 10.7270/Q2J67GJ8
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM50186917
PNG
(3-(4-(5-(4-cyclohexylphenyl)-1,2,4-oxadiazol-3-yl)...)
Show SMILES Cc1cc(CCC(O)=O)ccc1-c1noc(n1)-c1ccc(cc1)C1CCCCC1
Show InChI InChI=1S/C24H26N2O3/c1-16-15-17(8-14-22(27)28)7-13-21(16)23-25-24(29-26-23)20-11-9-19(10-12-20)18-5-3-2-4-6-18/h7,9-13,15,18H,2-6,8,14H2,1H3,(H,27,28)
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n/an/an/an/a 160n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at S1P3 receptor expressed in CHO cells measured as S1P-induced [35S]GTPgammaS uptake


Bioorg Med Chem Lett 16: 3679-83 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.084
BindingDB Entry DOI: 10.7270/Q2J67GJ8
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 4


(Homo sapiens (Human))
BDBM50186917
PNG
(3-(4-(5-(4-cyclohexylphenyl)-1,2,4-oxadiazol-3-yl)...)
Show SMILES Cc1cc(CCC(O)=O)ccc1-c1noc(n1)-c1ccc(cc1)C1CCCCC1
Show InChI InChI=1S/C24H26N2O3/c1-16-15-17(8-14-22(27)28)7-13-21(16)23-25-24(29-26-23)20-11-9-19(10-12-20)18-5-3-2-4-6-18/h7,9-13,15,18H,2-6,8,14H2,1H3,(H,27,28)
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n/an/an/an/a>1.00E+4n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Activity at S1P4 receptor expressed in CHO cells measured as S1P-induced [35S]GTPgammaS uptake


Bioorg Med Chem Lett 16: 3679-83 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.084
BindingDB Entry DOI: 10.7270/Q2J67GJ8
More data for this
Ligand-Target Pair