BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 390.4
BDBM42427

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))
BDBM42427
PNG
(3-[(2,5-dimethylphenyl)sulfanylmethyl]-5-(oxolan-2...)
Show SMILES Cc1ccc(C)c(SCc2noc(C(=O)NCC3CCCO3)c2C(O)=O)c1
Show InChI InChI=1S/C19H22N2O5S/c1-11-5-6-12(2)15(8-11)27-10-14-16(19(23)24)17(26-21-14)18(22)20-9-13-4-3-7-25-13/h5-6,8,13H,3-4,7,9-10H2,1-2H3,(H,20,22)(H,23,24)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 2.64E+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))
BDBM42427
PNG
(3-[(2,5-dimethylphenyl)sulfanylmethyl]-5-(oxolan-2...)
Show SMILES Cc1ccc(C)c(SCc2noc(C(=O)NCC3CCCO3)c2C(O)=O)c1
Show InChI InChI=1S/C19H22N2O5S/c1-11-5-6-12(2)15(8-11)27-10-14-16(19(23)24)17(26-21-14)18(22)20-9-13-4-3-7-25-13/h5-6,8,13H,3-4,7,9-10H2,1-2H3,(H,20,22)(H,23,24)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

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