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BDBM22203 1,2,4-oxadiazole based compound, 13::1-({4-[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]phenyl}methyl)azetidine-3-carboxylic acid::1-{4-[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]benzyl}azetidine-3-carboxylic acid

SMILES: CC(C)(C)c1ccc(cc1)-c1noc(n1)-c1ccc(CN2CC(C2)C(O)=O)cc1

InChI Key: InChIKey=OXYHNSKNRIYKDI-UHFFFAOYSA-N

Data: 6 IC50

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 6 hits for monomerid = 22203   
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))
BDBM22203
PNG
(1,2,4-oxadiazole based compound, 13 | 1-({4-[3-(4-...)
Show SMILES CC(C)(C)c1ccc(cc1)-c1noc(n1)-c1ccc(CN2CC(C2)C(O)=O)cc1
Show InChI InChI=1S/C23H25N3O3/c1-23(2,3)19-10-8-16(9-11-19)20-24-21(29-25-20)17-6-4-15(5-7-17)12-26-13-18(14-26)22(27)28/h4-11,18H,12-14H2,1-3H3,(H,27,28)
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n/an/a 8.20n/an/an/an/a7.522



Merck Research Laboratories



Assay Description
The assay measures the displacement of [33P]-labeled sphingosine-1-phosphate (S1P) by test compounds from human S1P receptors expressed on CHO cell m...


J Med Chem 48: 6169-73 (2005)


Article DOI: 10.1021/jm0503244
BindingDB Entry DOI: 10.7270/Q26971W9
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM22203
PNG
(1,2,4-oxadiazole based compound, 13 | 1-({4-[3-(4-...)
Show SMILES CC(C)(C)c1ccc(cc1)-c1noc(n1)-c1ccc(CN2CC(C2)C(O)=O)cc1
Show InChI InChI=1S/C23H25N3O3/c1-23(2,3)19-10-8-16(9-11-19)20-24-21(29-25-20)17-6-4-15(5-7-17)12-26-13-18(14-26)22(27)28/h4-11,18H,12-14H2,1-3H3,(H,27,28)
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n/an/a>1.00E+4n/an/an/an/a7.522



Merck Research Laboratories



Assay Description
The assay measures the displacement of [33P]-labeled sphingosine-1-phosphate (S1P) by test compounds from human S1P receptors expressed on CHO cell m...


J Med Chem 48: 6169-73 (2005)


Article DOI: 10.1021/jm0503244
BindingDB Entry DOI: 10.7270/Q26971W9
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM22203
PNG
(1,2,4-oxadiazole based compound, 13 | 1-({4-[3-(4-...)
Show SMILES CC(C)(C)c1ccc(cc1)-c1noc(n1)-c1ccc(CN2CC(C2)C(O)=O)cc1
Show InChI InChI=1S/C23H25N3O3/c1-23(2,3)19-10-8-16(9-11-19)20-24-21(29-25-20)17-6-4-15(5-7-17)12-26-13-18(14-26)22(27)28/h4-11,18H,12-14H2,1-3H3,(H,27,28)
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n/an/a>10n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [33P]S1P from human S1P3R expressed in CHO cell membranes


ACS Med Chem Lett 2: 97-101 (2011)


Article DOI: 10.1021/ml100227q
BindingDB Entry DOI: 10.7270/Q2WM1DP6
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 5


(Homo sapiens (Human))
BDBM22203
PNG
(1,2,4-oxadiazole based compound, 13 | 1-({4-[3-(4-...)
Show SMILES CC(C)(C)c1ccc(cc1)-c1noc(n1)-c1ccc(CN2CC(C2)C(O)=O)cc1
Show InChI InChI=1S/C23H25N3O3/c1-23(2,3)19-10-8-16(9-11-19)20-24-21(29-25-20)17-6-4-15(5-7-17)12-26-13-18(14-26)22(27)28/h4-11,18H,12-14H2,1-3H3,(H,27,28)
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n/an/a 20n/an/an/an/an/a25



Merck Research Laboratories



Assay Description
The assay measures the displacement of [33P]-labeled sphingosine-1-phosphate (S1P) by test compounds from human S1P receptors expressed on CHO cell m...


J Med Chem 48: 6169-73 (2005)


Article DOI: 10.1021/jm0503244
BindingDB Entry DOI: 10.7270/Q26971W9
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM22203
PNG
(1,2,4-oxadiazole based compound, 13 | 1-({4-[3-(4-...)
Show SMILES CC(C)(C)c1ccc(cc1)-c1noc(n1)-c1ccc(CN2CC(C2)C(O)=O)cc1
Show InChI InChI=1S/C23H25N3O3/c1-23(2,3)19-10-8-16(9-11-19)20-24-21(29-25-20)17-6-4-15(5-7-17)12-26-13-18(14-26)22(27)28/h4-11,18H,12-14H2,1-3H3,(H,27,28)
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n/an/a 8.20n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [33P]S1P from human S1P1R expressed in CHO cell membranes


ACS Med Chem Lett 2: 97-101 (2011)


Article DOI: 10.1021/ml100227q
BindingDB Entry DOI: 10.7270/Q2WM1DP6
More data for this
Ligand-Target Pair
Sphingosine 1-Phosphate Receptor 4


(Homo sapiens (Human))
BDBM22203
PNG
(1,2,4-oxadiazole based compound, 13 | 1-({4-[3-(4-...)
Show SMILES CC(C)(C)c1ccc(cc1)-c1noc(n1)-c1ccc(CN2CC(C2)C(O)=O)cc1
Show InChI InChI=1S/C23H25N3O3/c1-23(2,3)19-10-8-16(9-11-19)20-24-21(29-25-20)17-6-4-15(5-7-17)12-26-13-18(14-26)22(27)28/h4-11,18H,12-14H2,1-3H3,(H,27,28)
NCI pathway
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antibodypedia
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PC sid
UniChem
Article
PubMed
n/an/a 640n/an/an/an/an/a25



Merck Research Laboratories



Assay Description
The assay measures the displacement of [33P]-labeled sphingosine-1-phosphate (S1P) by test compounds from human S1P receptors expressed on CHO cell m...


J Med Chem 48: 6169-73 (2005)


Article DOI: 10.1021/jm0503244
BindingDB Entry DOI: 10.7270/Q26971W9
More data for this
Ligand-Target Pair