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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 378.4
BDBM61796
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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 1


(Homo sapiens (Human))
BDBM61796
PNG
(MLS000044136 | N-benzyl-3-[[2-(4-ketoquinazolin-3-...)
Show SMILES CN(Cc1ccccc1)C(=O)CCNC(=O)Cn1cnc2ccccc2c1=O
Show InChI InChI=1S/C21H22N4O3/c1-24(13-16-7-3-2-4-8-16)20(27)11-12-22-19(26)14-25-15-23-18-10-6-5-9-17(18)21(25)28/h2-10,15H,11-14H2,1H3,(H,22,26)
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UniProtKB/SwissProt

antibodypedia
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PC cid
PC sid
UniChem
PCBioAssay
n/an/an/an/a>3.54E+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))
BDBM61796
PNG
(MLS000044136 | N-benzyl-3-[[2-(4-ketoquinazolin-3-...)
Show SMILES CN(Cc1ccccc1)C(=O)CCNC(=O)Cn1cnc2ccccc2c1=O
Show InChI InChI=1S/C21H22N4O3/c1-24(13-16-7-3-2-4-8-16)20(27)11-12-22-19(26)14-25-15-23-18-10-6-5-9-17(18)21(25)28/h2-10,15H,11-14H2,1H3,(H,22,26)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PCBioAssay
n/an/an/an/a>3.54E+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