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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 470.5
BDBM42524
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 3 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))
BDBM42524
PNG
(3-[(2,5-dimethylphenyl)sulfamoyl]-4-methyl-N-(2-ph...)
Show SMILES Cc1ccc(C)c(NS(=O)(=O)c2cc(ccc2C)C(=O)Nc2ccccc2-c2ccccc2)c1
Show InChI InChI=1S/C28H26N2O3S/c1-19-13-14-20(2)26(17-19)30-34(32,33)27-18-23(16-15-21(27)3)28(31)29-25-12-8-7-11-24(25)22-9-5-4-6-10-22/h4-18,30H,1-3H3,(H,29,31)
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MCE
PC cid
PC sid
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Article
PubMed
n/an/a 440n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at NPYY2 receptor (unknown origin) by cAMP biosensor assay


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))
BDBM42524
PNG
(3-[(2,5-dimethylphenyl)sulfamoyl]-4-methyl-N-(2-ph...)
Show SMILES Cc1ccc(C)c(NS(=O)(=O)c2cc(ccc2C)C(=O)Nc2ccccc2-c2ccccc2)c1
Show InChI InChI=1S/C28H26N2O3S/c1-19-13-14-20(2)26(17-19)30-34(32,33)27-18-23(16-15-21(27)3)28(31)29-25-12-8-7-11-24(25)22-9-5-4-6-10-22/h4-18,30H,1-3H3,(H,29,31)
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PC cid
PC sid
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Article
PubMed
n/an/a 440n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at neuropeptide Y receptor Y2


Bioorg Med Chem Lett 22: 3916-20 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.107
BindingDB Entry DOI: 10.7270/Q2WH2R15
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(Homo sapiens (Human))
BDBM42524
PNG
(3-[(2,5-dimethylphenyl)sulfamoyl]-4-methyl-N-(2-ph...)
Show SMILES Cc1ccc(C)c(NS(=O)(=O)c2cc(ccc2C)C(=O)Nc2ccccc2-c2ccccc2)c1
Show InChI InChI=1S/C28H26N2O3S/c1-19-13-14-20(2)26(17-19)30-34(32,33)27-18-23(16-15-21(27)3)28(31)29-25-12-8-7-11-24(25)22-9-5-4-6-10-22/h4-18,30H,1-3H3,(H,29,31)
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PCBioAssay
n/an/a>3.50E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2Q81BGP
More data for this
Ligand-Target Pair