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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 460.6
BDBM50135642

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))
BDBM50135642
PNG
(Benzo[b]thiophene-2-carboxylic acid (2-benzylsulfa...)
Show SMILES CN(C)CCCN(C(=O)c1cc2ccccc2s1)c1ccccc1SCc1ccccc1
Show InChI InChI=1S/C27H28N2OS2/c1-28(2)17-10-18-29(27(30)26-19-22-13-6-8-15-24(22)32-26)23-14-7-9-16-25(23)31-20-21-11-4-3-5-12-21/h3-9,11-16,19H,10,17-18,20H2,1-2H3
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n/an/a 450n/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
Neuropeptide Y receptor type 2


(Homo sapiens (Human))
BDBM50135642
PNG
(Benzo[b]thiophene-2-carboxylic acid (2-benzylsulfa...)
Show SMILES CN(C)CCCN(C(=O)c1cc2ccccc2s1)c1ccccc1SCc1ccccc1
Show InChI InChI=1S/C27H28N2OS2/c1-28(2)17-10-18-29(27(30)26-19-22-13-6-8-15-24(22)32-26)23-14-7-9-16-25(23)31-20-21-11-4-3-5-12-21/h3-9,11-16,19H,10,17-18,20H2,1-2H3
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n/an/a 450n/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))
BDBM50135642
PNG
(Benzo[b]thiophene-2-carboxylic acid (2-benzylsulfa...)
Show SMILES CN(C)CCCN(C(=O)c1cc2ccccc2s1)c1ccccc1SCc1ccccc1
Show InChI InChI=1S/C27H28N2OS2/c1-28(2)17-10-18-29(27(30)26-19-22-13-6-8-15-24(22)32-26)23-14-7-9-16-25(23)31-20-21-11-4-3-5-12-21/h3-9,11-16,19H,10,17-18,20H2,1-2H3
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n/an/a 1.00E+3n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]-PYY 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))
BDBM50135642
PNG
(Benzo[b]thiophene-2-carboxylic acid (2-benzylsulfa...)
Show SMILES CN(C)CCCN(C(=O)c1cc2ccccc2s1)c1ccccc1SCc1ccccc1
Show InChI InChI=1S/C27H28N2OS2/c1-28(2)17-10-18-29(27(30)26-19-22-13-6-8-15-24(22)32-26)23-14-7-9-16-25(23)31-20-21-11-4-3-5-12-21/h3-9,11-16,19H,10,17-18,20H2,1-2H3
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n/an/a 1.00E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against SMS-KAN cell membranes endogenously expressing Neuropeptide Y receptor type 2 using [125I]-PYY as radioligand


Bioorg Med Chem Lett 13: 2883-5 (2003)


BindingDB Entry DOI: 10.7270/Q2F47NJQ
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 2


(Homo sapiens (Human))
BDBM50135642
PNG
(Benzo[b]thiophene-2-carboxylic acid (2-benzylsulfa...)
Show SMILES CN(C)CCCN(C(=O)c1cc2ccccc2s1)c1ccccc1SCc1ccccc1
Show InChI InChI=1S/C27H28N2OS2/c1-28(2)17-10-18-29(27(30)26-19-22-13-6-8-15-24(22)32-26)23-14-7-9-16-25(23)31-20-21-11-4-3-5-12-21/h3-9,11-16,19H,10,17-18,20H2,1-2H3
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n/an/a 1.00E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against SMS-KAN cell membranes endogenously expressing Neuropeptide Y receptor type 2 using [125I]PYY as radioligand


Bioorg Med Chem Lett 13: 2883-5 (2003)


BindingDB Entry DOI: 10.7270/Q2F47NJQ
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 2


(Homo sapiens (Human))
BDBM50135642
PNG
(Benzo[b]thiophene-2-carboxylic acid (2-benzylsulfa...)
Show SMILES CN(C)CCCN(C(=O)c1cc2ccccc2s1)c1ccccc1SCc1ccccc1
Show InChI InChI=1S/C27H28N2OS2/c1-28(2)17-10-18-29(27(30)26-19-22-13-6-8-15-24(22)32-26)23-14-7-9-16-25(23)31-20-21-11-4-3-5-12-21/h3-9,11-16,19H,10,17-18,20H2,1-2H3
PDB

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n/an/a 1.00E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against SMS-KAN cell membranes endogenously expressing Neuropeptide Y receptor type 2 using [125I]-PYY as radioligand


Bioorg Med Chem Lett 13: 2883-5 (2003)


BindingDB Entry DOI: 10.7270/Q2F47NJQ
More data for this
Ligand-Target Pair