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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 377.3
BDBM50265298

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 5 hits in this display   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Neuropeptide Y receptor type 5


(Homo sapiens (Human))
BDBM50265298
PNG
(CHEMBL496327 | methyl 2-(3-oxo-3H-spiro[isobenzofu...)
Show SMILES COC(=O)c1ccc2nc([nH]c2c1)N1CCC2(CC1)OC(=O)c1ccccc21
Show InChI InChI=1S/C21H19N3O4/c1-27-18(25)13-6-7-16-17(12-13)23-20(22-16)24-10-8-21(9-11-24)15-5-3-2-4-14(15)19(26)28-21/h2-7,12H,8-11H2,1H3,(H,22,23)
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Article
PubMed
n/an/a 1.5n/an/an/an/an/an/a



Banyu Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human NPY Y5 receptor transfected in mouse LMtk cells assessed as inhibition of neuropeptide Y-induced increase in intercellul...


Bioorg Med Chem Lett 18: 5010-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.018
BindingDB Entry DOI: 10.7270/Q26D5STS
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Homo sapiens (Human))
BDBM50265298
PNG
(CHEMBL496327 | methyl 2-(3-oxo-3H-spiro[isobenzofu...)
Show SMILES COC(=O)c1ccc2nc([nH]c2c1)N1CCC2(CC1)OC(=O)c1ccccc21
Show InChI InChI=1S/C21H19N3O4/c1-27-18(25)13-6-7-16-17(12-13)23-20(22-16)24-10-8-21(9-11-24)15-5-3-2-4-14(15)19(26)28-21/h2-7,12H,8-11H2,1H3,(H,22,23)
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Article
PubMed
n/an/a 2.70n/an/an/an/an/an/a



Banyu Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to human NPY Y5 receptor transfected in mouse LMtk cells


Bioorg Med Chem Lett 18: 5010-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.018
BindingDB Entry DOI: 10.7270/Q26D5STS
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 4


(Homo sapiens (Human))
BDBM50265298
PNG
(CHEMBL496327 | methyl 2-(3-oxo-3H-spiro[isobenzofu...)
Show SMILES COC(=O)c1ccc2nc([nH]c2c1)N1CCC2(CC1)OC(=O)c1ccccc21
Show InChI InChI=1S/C21H19N3O4/c1-27-18(25)13-6-7-16-17(12-13)23-20(22-16)24-10-8-21(9-11-24)15-5-3-2-4-14(15)19(26)28-21/h2-7,12H,8-11H2,1H3,(H,22,23)
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Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Banyu Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to NPY Y4 receptor (unknown origin)


Bioorg Med Chem Lett 18: 5010-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.018
BindingDB Entry DOI: 10.7270/Q26D5STS
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(Homo sapiens (Human))
BDBM50265298
PNG
(CHEMBL496327 | methyl 2-(3-oxo-3H-spiro[isobenzofu...)
Show SMILES COC(=O)c1ccc2nc([nH]c2c1)N1CCC2(CC1)OC(=O)c1ccccc21
Show InChI InChI=1S/C21H19N3O4/c1-27-18(25)13-6-7-16-17(12-13)23-20(22-16)24-10-8-21(9-11-24)15-5-3-2-4-14(15)19(26)28-21/h2-7,12H,8-11H2,1H3,(H,22,23)
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Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Banyu Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to NPY Y1 receptor (unknown origin)


Bioorg Med Chem Lett 18: 5010-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.018
BindingDB Entry DOI: 10.7270/Q26D5STS
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 2


(Homo sapiens (Human))
BDBM50265298
PNG
(CHEMBL496327 | methyl 2-(3-oxo-3H-spiro[isobenzofu...)
Show SMILES COC(=O)c1ccc2nc([nH]c2c1)N1CCC2(CC1)OC(=O)c1ccccc21
Show InChI InChI=1S/C21H19N3O4/c1-27-18(25)13-6-7-16-17(12-13)23-20(22-16)24-10-8-21(9-11-24)15-5-3-2-4-14(15)19(26)28-21/h2-7,12H,8-11H2,1H3,(H,22,23)
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Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Banyu Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to NPY Y2 receptor (unknown origin)


Bioorg Med Chem Lett 18: 5010-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.018
BindingDB Entry DOI: 10.7270/Q26D5STS
More data for this
Ligand-Target Pair