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BDBM22215 1,2,4-oxadiazole based compound, 32::1-({4-[5-(4-cyclopentylphenyl)-1,2,4-oxadiazol-3-yl]phenyl}methyl)azetidine-3-carboxylic acid

SMILES: OC(=O)C1CN(Cc2ccc(cc2)-c2noc(n2)-c2ccc(cc2)C2CCCC2)C1

InChI Key: InChIKey=YBEAJMHMAMGKBN-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 = 22215   
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))
BDBM22215
PNG
(1,2,4-oxadiazole based compound, 32 | 1-({4-[5-(4-...)
Show SMILES OC(=O)C1CN(Cc2ccc(cc2)-c2noc(n2)-c2ccc(cc2)C2CCCC2)C1
Show InChI InChI=1S/C24H25N3O3/c28-24(29)21-14-27(15-21)13-16-5-7-19(8-6-16)22-25-23(30-26-22)20-11-9-18(10-12-20)17-3-1-2-4-17/h5-12,17,21H,1-4,13-15H2,(H,28,29)
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PubMed
n/an/a 0.400n/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))
BDBM22215
PNG
(1,2,4-oxadiazole based compound, 32 | 1-({4-[5-(4-...)
Show SMILES OC(=O)C1CN(Cc2ccc(cc2)-c2noc(n2)-c2ccc(cc2)C2CCCC2)C1
Show InChI InChI=1S/C24H25N3O3/c28-24(29)21-14-27(15-21)13-16-5-7-19(8-6-16)22-25-23(30-26-22)20-11-9-18(10-12-20)17-3-1-2-4-17/h5-12,17,21H,1-4,13-15H2,(H,28,29)
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PubMed
n/an/a 0.5n/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))
BDBM22215
PNG
(1,2,4-oxadiazole based compound, 32 | 1-({4-[5-(4-...)
Show SMILES OC(=O)C1CN(Cc2ccc(cc2)-c2noc(n2)-c2ccc(cc2)C2CCCC2)C1
Show InChI InChI=1S/C24H25N3O3/c28-24(29)21-14-27(15-21)13-16-5-7-19(8-6-16)22-25-23(30-26-22)20-11-9-18(10-12-20)17-3-1-2-4-17/h5-12,17,21H,1-4,13-15H2,(H,28,29)
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PubMed
n/an/a 49n/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))
BDBM22215
PNG
(1,2,4-oxadiazole based compound, 32 | 1-({4-[5-(4-...)
Show SMILES OC(=O)C1CN(Cc2ccc(cc2)-c2noc(n2)-c2ccc(cc2)C2CCCC2)C1
Show InChI InChI=1S/C24H25N3O3/c28-24(29)21-14-27(15-21)13-16-5-7-19(8-6-16)22-25-23(30-26-22)20-11-9-18(10-12-20)17-3-1-2-4-17/h5-12,17,21H,1-4,13-15H2,(H,28,29)
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PubMed
n/an/a 1.40E+4n/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