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BDBM50186925 4-(5-(4-cyclohexylphenyl)-1,2,4-oxadiazol-3-yl)-3-methylbenzoic acid::CHEMBL208682

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

InChI Key: InChIKey=ZCNMYWFYOSEHOL-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 = 50186925   
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


(Homo sapiens (Human))
BDBM50186925
PNG
(4-(5-(4-cyclohexylphenyl)-1,2,4-oxadiazol-3-yl)-3-...)
Show SMILES Cc1cc(ccc1-c1noc(n1)-c1ccc(cc1)C1CCCCC1)C(O)=O
Show InChI InChI=1S/C22H22N2O3/c1-14-13-18(22(25)26)11-12-19(14)20-23-21(27-24-20)17-9-7-16(8-10-17)15-5-3-2-4-6-15/h7-13,15H,2-6H2,1H3,(H,25,26)
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PubMed
n/an/an/an/a 467n/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 2


(Homo sapiens (Human))
BDBM50186925
PNG
(4-(5-(4-cyclohexylphenyl)-1,2,4-oxadiazol-3-yl)-3-...)
Show SMILES Cc1cc(ccc1-c1noc(n1)-c1ccc(cc1)C1CCCCC1)C(O)=O
Show InChI InChI=1S/C22H22N2O3/c1-14-13-18(22(25)26)11-12-19(14)20-23-21(27-24-20)17-9-7-16(8-10-17)15-5-3-2-4-6-15/h7-13,15H,2-6H2,1H3,(H,25,26)
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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))
BDBM50186925
PNG
(4-(5-(4-cyclohexylphenyl)-1,2,4-oxadiazol-3-yl)-3-...)
Show SMILES Cc1cc(ccc1-c1noc(n1)-c1ccc(cc1)C1CCCCC1)C(O)=O
Show InChI InChI=1S/C22H22N2O3/c1-14-13-18(22(25)26)11-12-19(14)20-23-21(27-24-20)17-9-7-16(8-10-17)15-5-3-2-4-6-15/h7-13,15H,2-6H2,1H3,(H,25,26)
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n/an/an/an/a>1.00E+4n/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 3


(Homo sapiens (Human))
BDBM50186925
PNG
(4-(5-(4-cyclohexylphenyl)-1,2,4-oxadiazol-3-yl)-3-...)
Show SMILES Cc1cc(ccc1-c1noc(n1)-c1ccc(cc1)C1CCCCC1)C(O)=O
Show InChI InChI=1S/C22H22N2O3/c1-14-13-18(22(25)26)11-12-19(14)20-23-21(27-24-20)17-9-7-16(8-10-17)15-5-3-2-4-6-15/h7-13,15H,2-6H2,1H3,(H,25,26)
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n/an/an/an/a>1.00E+4n/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))
BDBM50186925
PNG
(4-(5-(4-cyclohexylphenyl)-1,2,4-oxadiazol-3-yl)-3-...)
Show SMILES Cc1cc(ccc1-c1noc(n1)-c1ccc(cc1)C1CCCCC1)C(O)=O
Show InChI InChI=1S/C22H22N2O3/c1-14-13-18(22(25)26)11-12-19(14)20-23-21(27-24-20)17-9-7-16(8-10-17)15-5-3-2-4-6-15/h7-13,15H,2-6H2,1H3,(H,25,26)
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PubMed
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