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BDBM22212 1,2,4-oxadiazole based compound, 29::1-[(4-{5-[4-(propan-2-yloxy)phenyl]-1,2,4-oxadiazol-3-yl}phenyl)methyl]azetidine-3-carboxylic acid

SMILES: CC(C)Oc1ccc(cc1)-c1nc(no1)-c1ccc(CN2CC(C2)C(O)=O)cc1

InChI Key: InChIKey=GTZFBQFSZBMRCX-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 22212   
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))
BDBM22212
PNG
(1,2,4-oxadiazole based compound, 29 | 1-[(4-{5-[4-...)
Show SMILES CC(C)Oc1ccc(cc1)-c1nc(no1)-c1ccc(CN2CC(C2)C(O)=O)cc1
Show InChI InChI=1S/C22H23N3O4/c1-14(2)28-19-9-7-17(8-10-19)21-23-20(24-29-21)16-5-3-15(4-6-16)11-25-12-18(13-25)22(26)27/h3-10,14,18H,11-13H2,1-2H3,(H,26,27)
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PubMed
n/an/a 1.80n/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 5


(Homo sapiens (Human))
BDBM22212
PNG
(1,2,4-oxadiazole based compound, 29 | 1-[(4-{5-[4-...)
Show SMILES CC(C)Oc1ccc(cc1)-c1nc(no1)-c1ccc(CN2CC(C2)C(O)=O)cc1
Show InChI InChI=1S/C22H23N3O4/c1-14(2)28-19-9-7-17(8-10-19)21-23-20(24-29-21)16-5-3-15(4-6-16)11-25-12-18(13-25)22(26)27/h3-10,14,18H,11-13H2,1-2H3,(H,26,27)
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n/an/a 12n/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 4


(Homo sapiens (Human))
BDBM22212
PNG
(1,2,4-oxadiazole based compound, 29 | 1-[(4-{5-[4-...)
Show SMILES CC(C)Oc1ccc(cc1)-c1nc(no1)-c1ccc(CN2CC(C2)C(O)=O)cc1
Show InChI InChI=1S/C22H23N3O4/c1-14(2)28-19-9-7-17(8-10-19)21-23-20(24-29-21)16-5-3-15(4-6-16)11-25-12-18(13-25)22(26)27/h3-10,14,18H,11-13H2,1-2H3,(H,26,27)
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Article
PubMed
n/an/a 370n/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 3


(Homo sapiens (Human))
BDBM22212
PNG
(1,2,4-oxadiazole based compound, 29 | 1-[(4-{5-[4-...)
Show SMILES CC(C)Oc1ccc(cc1)-c1nc(no1)-c1ccc(CN2CC(C2)C(O)=O)cc1
Show InChI InChI=1S/C22H23N3O4/c1-14(2)28-19-9-7-17(8-10-19)21-23-20(24-29-21)16-5-3-15(4-6-16)11-25-12-18(13-25)22(26)27/h3-10,14,18H,11-13H2,1-2H3,(H,26,27)
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Article
PubMed
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