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BDBM50185529 2-(trans-5-(4-(5-(4-cyclopentylphenyl)-1,2,4-oxadiazol-3-yl)phenyl)pyrrolidin-3-yl)acetic acid::CHEMBL211006

SMILES: OC(=O)C[C@@H]1CN[C@H](C1)c1ccc(cc1)-c1noc(n1)-c1ccc(cc1)C1CCCC1

InChI Key: InChIKey=ZYJFERBFOURDFL-OPAMFIHVSA-N

Data: 5 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 5 hits for monomerid = 50185529   
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 5


(Homo sapiens (Human))
BDBM50185529
PNG
(2-(trans-5-(4-(5-(4-cyclopentylphenyl)-1,2,4-oxadi...)
Show SMILES OC(=O)C[C@@H]1CN[C@H](C1)c1ccc(cc1)-c1noc(n1)-c1ccc(cc1)C1CCCC1
Show InChI InChI=1S/C25H27N3O3/c29-23(30)14-16-13-22(26-15-16)19-7-9-20(10-8-19)24-27-25(31-28-24)21-11-5-18(6-12-21)17-3-1-2-4-17/h5-12,16-17,22,26H,1-4,13-15H2,(H,29,30)/t16-,22-/m1/s1
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n/an/a 68n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [33P]S1P from human S1P5 receptor expressed in CHO cells


Bioorg Med Chem Lett 16: 3564-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.090
BindingDB Entry DOI: 10.7270/Q2WS8SWT
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM50185529
PNG
(2-(trans-5-(4-(5-(4-cyclopentylphenyl)-1,2,4-oxadi...)
Show SMILES OC(=O)C[C@@H]1CN[C@H](C1)c1ccc(cc1)-c1noc(n1)-c1ccc(cc1)C1CCCC1
Show InChI InChI=1S/C25H27N3O3/c29-23(30)14-16-13-22(26-15-16)19-7-9-20(10-8-19)24-27-25(31-28-24)21-11-5-18(6-12-21)17-3-1-2-4-17/h5-12,16-17,22,26H,1-4,13-15H2,(H,29,30)/t16-,22-/m1/s1
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n/an/a>1.00E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [33P]S1P from human S1P3 receptor expressed in CHO cells


Bioorg Med Chem Lett 16: 3564-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.090
BindingDB Entry DOI: 10.7270/Q2WS8SWT
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50185529
PNG
(2-(trans-5-(4-(5-(4-cyclopentylphenyl)-1,2,4-oxadi...)
Show SMILES OC(=O)C[C@@H]1CN[C@H](C1)c1ccc(cc1)-c1noc(n1)-c1ccc(cc1)C1CCCC1
Show InChI InChI=1S/C25H27N3O3/c29-23(30)14-16-13-22(26-15-16)19-7-9-20(10-8-19)24-27-25(31-28-24)21-11-5-18(6-12-21)17-3-1-2-4-17/h5-12,16-17,22,26H,1-4,13-15H2,(H,29,30)/t16-,22-/m1/s1
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n/an/a 1n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [33P]S1P from human S1P1 receptor expressed in CHO cells


Bioorg Med Chem Lett 16: 3564-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.090
BindingDB Entry DOI: 10.7270/Q2WS8SWT
More data for this
Ligand-Target Pair
Sphingosine 1-Phosphate Receptor 2


(Homo sapiens (Human))
BDBM50185529
PNG
(2-(trans-5-(4-(5-(4-cyclopentylphenyl)-1,2,4-oxadi...)
Show SMILES OC(=O)C[C@@H]1CN[C@H](C1)c1ccc(cc1)-c1noc(n1)-c1ccc(cc1)C1CCCC1
Show InChI InChI=1S/C25H27N3O3/c29-23(30)14-16-13-22(26-15-16)19-7-9-20(10-8-19)24-27-25(31-28-24)21-11-5-18(6-12-21)17-3-1-2-4-17/h5-12,16-17,22,26H,1-4,13-15H2,(H,29,30)/t16-,22-/m1/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [33P]S1P from human S1P2 receptor expressed in CHO cells


Bioorg Med Chem Lett 16: 3564-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.090
BindingDB Entry DOI: 10.7270/Q2WS8SWT
More data for this
Ligand-Target Pair
Sphingosine 1-Phosphate Receptor 4


(Homo sapiens (Human))
BDBM50185529
PNG
(2-(trans-5-(4-(5-(4-cyclopentylphenyl)-1,2,4-oxadi...)
Show SMILES OC(=O)C[C@@H]1CN[C@H](C1)c1ccc(cc1)-c1noc(n1)-c1ccc(cc1)C1CCCC1
Show InChI InChI=1S/C25H27N3O3/c29-23(30)14-16-13-22(26-15-16)19-7-9-20(10-8-19)24-27-25(31-28-24)21-11-5-18(6-12-21)17-3-1-2-4-17/h5-12,16-17,22,26H,1-4,13-15H2,(H,29,30)/t16-,22-/m1/s1
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n/an/a 120n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [33P]S1P from human S1P4 receptor expressed in CHO cells


Bioorg Med Chem Lett 16: 3564-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.090
BindingDB Entry DOI: 10.7270/Q2WS8SWT
More data for this
Ligand-Target Pair