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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 399.9
BDBM50414446
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 4 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 2


(Homo sapiens (Human))
BDBM50414446
PNG
(CHEMBL539730)
Show SMILES CC(C)(C)C(=O)Nc1ccc(N2CCN(CC2)C(=O)c2ccccc2)c(Cl)c1
Show InChI InChI=1S/C22H26ClN3O2/c1-22(2,3)21(28)24-17-9-10-19(18(23)15-17)25-11-13-26(14-12-25)20(27)16-7-5-4-6-8-16/h4-10,15H,11-14H2,1-3H3,(H,24,28)
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PubMed
501n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human NPY Y2 receptor in KAN-TS cells by [35]GTPgammaS assay


Bioorg Med Chem Lett 20: 7341-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.065
BindingDB Entry DOI: 10.7270/Q2BV7HWV
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 2


(Homo sapiens (Human))
BDBM50414446
PNG
(CHEMBL539730)
Show SMILES CC(C)(C)C(=O)Nc1ccc(N2CCN(CC2)C(=O)c2ccccc2)c(Cl)c1
Show InChI InChI=1S/C22H26ClN3O2/c1-22(2,3)21(28)24-17-9-10-19(18(23)15-17)25-11-13-26(14-12-25)20(27)16-7-5-4-6-8-16/h4-10,15H,11-14H2,1-3H3,(H,24,28)
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501n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human neuropeptide Y2 receptor in KAN-TS cells by [35]GTPgammaS assay


Bioorg Med Chem Lett 19: 4022-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.035
BindingDB Entry DOI: 10.7270/Q2B27VBW
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Homo sapiens (Human))
BDBM50414446
PNG
(CHEMBL539730)
Show SMILES CC(C)(C)C(=O)Nc1ccc(N2CCN(CC2)C(=O)c2ccccc2)c(Cl)c1
Show InChI InChI=1S/C22H26ClN3O2/c1-22(2,3)21(28)24-17-9-10-19(18(23)15-17)25-11-13-26(14-12-25)20(27)16-7-5-4-6-8-16/h4-10,15H,11-14H2,1-3H3,(H,24,28)
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>5.01E+3n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human neuropeptide Y5 receptor expressed in HEK293 cells by FLIPR/Ca2+ method


Bioorg Med Chem Lett 19: 4022-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.035
BindingDB Entry DOI: 10.7270/Q2B27VBW
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(Homo sapiens (Human))
BDBM50414446
PNG
(CHEMBL539730)
Show SMILES CC(C)(C)C(=O)Nc1ccc(N2CCN(CC2)C(=O)c2ccccc2)c(Cl)c1
Show InChI InChI=1S/C22H26ClN3O2/c1-22(2,3)21(28)24-17-9-10-19(18(23)15-17)25-11-13-26(14-12-25)20(27)16-7-5-4-6-8-16/h4-10,15H,11-14H2,1-3H3,(H,24,28)
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>6.31E+3n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human neuropeptide Y1 receptor expressed in CHO cells by [35]GTPgammaS assay


Bioorg Med Chem Lett 19: 4022-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.035
BindingDB Entry DOI: 10.7270/Q2B27VBW
More data for this
Ligand-Target Pair