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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 467.3
BDBM61794

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 1


(Homo sapiens (Human))
BDBM61794
PNG
(3-[(2-amino-5-bromo-3-pyridinyl)sulfonylamino]-N-[...)
Show SMILES CCSc1nnc(NC(=O)CCNS(=O)(=O)c2cc(Br)cnc2N)s1
Show InChI InChI=1S/C12H15BrN6O3S3/c1-2-23-12-19-18-11(24-12)17-9(20)3-4-16-25(21,22)8-5-7(13)6-15-10(8)14/h5-6,16H,2-4H2,1H3,(H2,14,15)(H,17,18,20)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PCBioAssay
n/an/an/an/a 1.17E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2SQ8XVD
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 2


(Homo sapiens (Human))
BDBM61794
PNG
(3-[(2-amino-5-bromo-3-pyridinyl)sulfonylamino]-N-[...)
Show SMILES CCSc1nnc(NC(=O)CCNS(=O)(=O)c2cc(Br)cnc2N)s1
Show InChI InChI=1S/C12H15BrN6O3S3/c1-2-23-12-19-18-11(24-12)17-9(20)3-4-16-25(21,22)8-5-7(13)6-15-10(8)14/h5-6,16H,2-4H2,1H3,(H2,14,15)(H,17,18,20)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PCBioAssay
n/an/an/an/a 1.37E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2251GM6
More data for this
Ligand-Target Pair