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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 510.6
BDBM50140506
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 6 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))
BDBM50140506
PNG
((E)-N-(1-Acetyl-2,3-dihydro-1H-indol-6-yl)-3-(3-cy...)
Show SMILES CC(=O)N1CCc2ccc(cc12)N(C1CCN(CCC2CCCC2)CC1)C(=O)\C=C\c1cccc(c1)C#N
Show InChI InChI=1S/C32H38N4O2/c1-24(37)35-20-14-28-10-11-30(22-31(28)35)36(32(38)12-9-26-7-4-8-27(21-26)23-33)29-15-18-34(19-16-29)17-13-25-5-2-3-6-25/h4,7-12,21-22,25,29H,2-3,5-6,13-20H2,1H3/b12-9+
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Article
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n/an/a 63n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at NPYY2 receptor (unknown origin) assessed as inhibition of PYY-induced [33S]-GTPgammaS binding


Bioorg Med Chem Lett 24: 430-41 (2014)


Article DOI: 10.1016/j.bmcl.2013.11.061
BindingDB Entry DOI: 10.7270/Q2H133HQ
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 2


(Homo sapiens (Human))
BDBM50140506
PNG
((E)-N-(1-Acetyl-2,3-dihydro-1H-indol-6-yl)-3-(3-cy...)
Show SMILES CC(=O)N1CCc2ccc(cc12)N(C1CCN(CCC2CCCC2)CC1)C(=O)\C=C\c1cccc(c1)C#N
Show InChI InChI=1S/C32H38N4O2/c1-24(37)35-20-14-28-10-11-30(22-31(28)35)36(32(38)12-9-26-7-4-8-27(21-26)23-33)29-15-18-34(19-16-29)17-13-25-5-2-3-6-25/h4,7-12,21-22,25,29H,2-3,5-6,13-20H2,1H3/b12-9+
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n/an/a 63.1n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human neuropeptide Y2 receptor 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 2


(Homo sapiens (Human))
BDBM50140506
PNG
((E)-N-(1-Acetyl-2,3-dihydro-1H-indol-6-yl)-3-(3-cy...)
Show SMILES CC(=O)N1CCc2ccc(cc12)N(C1CCN(CCC2CCCC2)CC1)C(=O)\C=C\c1cccc(c1)C#N
Show InChI InChI=1S/C32H38N4O2/c1-24(37)35-20-14-28-10-11-30(22-31(28)35)36(32(38)12-9-26-7-4-8-27(21-26)23-33)29-15-18-34(19-16-29)17-13-25-5-2-3-6-25/h4,7-12,21-22,25,29H,2-3,5-6,13-20H2,1H3/b12-9+
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n/an/a 100n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]-NPY from NPYY2 receptor (unknown origin)


Bioorg Med Chem Lett 24: 430-41 (2014)


Article DOI: 10.1016/j.bmcl.2013.11.061
BindingDB Entry DOI: 10.7270/Q2H133HQ
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 2


(Homo sapiens (Human))
BDBM50140506
PNG
((E)-N-(1-Acetyl-2,3-dihydro-1H-indol-6-yl)-3-(3-cy...)
Show SMILES CC(=O)N1CCc2ccc(cc12)N(C1CCN(CCC2CCCC2)CC1)C(=O)\C=C\c1cccc(c1)C#N
Show InChI InChI=1S/C32H38N4O2/c1-24(37)35-20-14-28-10-11-30(22-31(28)35)36(32(38)12-9-26-7-4-8-27(21-26)23-33)29-15-18-34(19-16-29)17-13-25-5-2-3-6-25/h4,7-12,21-22,25,29H,2-3,5-6,13-20H2,1H3/b12-9+
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n/an/a 100n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Binding affinity to neuropeptide Y2 receptor


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 2


(Homo sapiens (Human))
BDBM50140506
PNG
((E)-N-(1-Acetyl-2,3-dihydro-1H-indol-6-yl)-3-(3-cy...)
Show SMILES CC(=O)N1CCc2ccc(cc12)N(C1CCN(CCC2CCCC2)CC1)C(=O)\C=C\c1cccc(c1)C#N
Show InChI InChI=1S/C32H38N4O2/c1-24(37)35-20-14-28-10-11-30(22-31(28)35)36(32(38)12-9-26-7-4-8-27(21-26)23-33)29-15-18-34(19-16-29)17-13-25-5-2-3-6-25/h4,7-12,21-22,25,29H,2-3,5-6,13-20H2,1H3/b12-9+
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n/an/a 100n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Binding affinity towards human NPY Y2 receptor was determined using [35S]-GTP-gammaS, radioligand


Bioorg Med Chem Lett 14: 1239-42 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.057
BindingDB Entry DOI: 10.7270/Q2M044VK
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 2


(Homo sapiens (Human))
BDBM50140506
PNG
((E)-N-(1-Acetyl-2,3-dihydro-1H-indol-6-yl)-3-(3-cy...)
Show SMILES CC(=O)N1CCc2ccc(cc12)N(C1CCN(CCC2CCCC2)CC1)C(=O)\C=C\c1cccc(c1)C#N
Show InChI InChI=1S/C32H38N4O2/c1-24(37)35-20-14-28-10-11-30(22-31(28)35)36(32(38)12-9-26-7-4-8-27(21-26)23-33)29-15-18-34(19-16-29)17-13-25-5-2-3-6-25/h4,7-12,21-22,25,29H,2-3,5-6,13-20H2,1H3/b12-9+
PDB

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CHEMBL
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Article
PubMed
n/an/a 100n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Displacement of [125I]PYY from human NPY Y2 receptor expressed endogenously in KAN-Ts cells by scintillation counting


Bioorg Med Chem Lett 21: 5552-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.136
BindingDB Entry DOI: 10.7270/Q2R49R5K
More data for this
Ligand-Target Pair