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BDBM50186918 3-(4-(5-(4-(S)-sec-butoxy-3-cyanophenyl)-1,2,4-oxadiazol-3-yl)-3-methylphenyl)propanoic acid::CHEMBL378054

SMILES: CC[C@H](C)Oc1ccc(cc1C#N)-c1nc(no1)-c1ccc(CCC(O)=O)cc1C

InChI Key: InChIKey=SSWBUZXDOZQJGX-HNNXBMFYSA-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 = 50186918   
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))
BDBM50186918
PNG
(3-(4-(5-(4-(S)-sec-butoxy-3-cyanophenyl)-1,2,4-oxa...)
Show SMILES CC[C@H](C)Oc1ccc(cc1C#N)-c1nc(no1)-c1ccc(CCC(O)=O)cc1C
Show InChI InChI=1S/C23H23N3O4/c1-4-15(3)29-20-9-7-17(12-18(20)13-24)23-25-22(26-30-23)19-8-5-16(11-14(19)2)6-10-21(27)28/h5,7-9,11-12,15H,4,6,10H2,1-3H3,(H,27,28)/t15-/m0/s1
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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 1


(Homo sapiens (Human))
BDBM50186918
PNG
(3-(4-(5-(4-(S)-sec-butoxy-3-cyanophenyl)-1,2,4-oxa...)
Show SMILES CC[C@H](C)Oc1ccc(cc1C#N)-c1nc(no1)-c1ccc(CCC(O)=O)cc1C
Show InChI InChI=1S/C23H23N3O4/c1-4-15(3)29-20-9-7-17(12-18(20)13-24)23-25-22(26-30-23)19-8-5-16(11-14(19)2)6-10-21(27)28/h5,7-9,11-12,15H,4,6,10H2,1-3H3,(H,27,28)/t15-/m0/s1
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PubMed
n/an/an/an/a 0.0700n/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 4


(Homo sapiens (Human))
BDBM50186918
PNG
(3-(4-(5-(4-(S)-sec-butoxy-3-cyanophenyl)-1,2,4-oxa...)
Show SMILES CC[C@H](C)Oc1ccc(cc1C#N)-c1nc(no1)-c1ccc(CCC(O)=O)cc1C
Show InChI InChI=1S/C23H23N3O4/c1-4-15(3)29-20-9-7-17(12-18(20)13-24)23-25-22(26-30-23)19-8-5-16(11-14(19)2)6-10-21(27)28/h5,7-9,11-12,15H,4,6,10H2,1-3H3,(H,27,28)/t15-/m0/s1
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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
Sphingosine 1-phosphate receptor 5


(Homo sapiens (Human))
BDBM50186918
PNG
(3-(4-(5-(4-(S)-sec-butoxy-3-cyanophenyl)-1,2,4-oxa...)
Show SMILES CC[C@H](C)Oc1ccc(cc1C#N)-c1nc(no1)-c1ccc(CCC(O)=O)cc1C
Show InChI InChI=1S/C23H23N3O4/c1-4-15(3)29-20-9-7-17(12-18(20)13-24)23-25-22(26-30-23)19-8-5-16(11-14(19)2)6-10-21(27)28/h5,7-9,11-12,15H,4,6,10H2,1-3H3,(H,27,28)/t15-/m0/s1
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n/an/an/an/a 15n/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))
BDBM50186918
PNG
(3-(4-(5-(4-(S)-sec-butoxy-3-cyanophenyl)-1,2,4-oxa...)
Show SMILES CC[C@H](C)Oc1ccc(cc1C#N)-c1nc(no1)-c1ccc(CCC(O)=O)cc1C
Show InChI InChI=1S/C23H23N3O4/c1-4-15(3)29-20-9-7-17(12-18(20)13-24)23-25-22(26-30-23)19-8-5-16(11-14(19)2)6-10-21(27)28/h5,7-9,11-12,15H,4,6,10H2,1-3H3,(H,27,28)/t15-/m0/s1
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n/an/an/an/a 470n/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