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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 428.5
BDBM42432
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 2 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))
BDBM42432
PNG
(MLS000585997 | N-(2,6-diethylphenyl)-2-phenyl-2-(2...)
Show SMILES CCc1cccc(CC)c1NC(=O)C(NS(=O)(=O)c1cccs1)c1ccccc1
Show InChI InChI=1S/C22H24N2O3S2/c1-3-16-12-8-13-17(4-2)20(16)23-22(25)21(18-10-6-5-7-11-18)24-29(26,27)19-14-9-15-28-19/h5-15,21,24H,3-4H2,1-2H3,(H,23,25)
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PC cid
PC sid
UniChem
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/Q2V1235Z
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(Homo sapiens (Human))
BDBM42432
PNG
(MLS000585997 | N-(2,6-diethylphenyl)-2-phenyl-2-(2...)
Show SMILES CCc1cccc(CC)c1NC(=O)C(NS(=O)(=O)c1cccs1)c1ccccc1
Show InChI InChI=1S/C22H24N2O3S2/c1-3-16-12-8-13-17(4-2)20(16)23-22(25)21(18-10-6-5-7-11-18)24-29(26,27)19-14-9-15-28-19/h5-15,21,24H,3-4H2,1-2H3,(H,23,25)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
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/Q2ZS2TWK
More data for this
Ligand-Target Pair