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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 418.8
BDBM61813
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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))
BDBM61813
PNG
(2-(4-chlorophenyl)-N-[3-[(2-fluorophenyl)sulfamoyl...)
Show SMILES Fc1ccccc1NS(=O)(=O)c1cccc(NC(=O)Cc2ccc(Cl)cc2)c1
Show InChI InChI=1S/C20H16ClFN2O3S/c21-15-10-8-14(9-11-15)12-20(25)23-16-4-3-5-17(13-16)28(26,27)24-19-7-2-1-6-18(19)22/h1-11,13,24H,12H2,(H,23,25)
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UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a 1.57E+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))
BDBM61813
PNG
(2-(4-chlorophenyl)-N-[3-[(2-fluorophenyl)sulfamoyl...)
Show SMILES Fc1ccccc1NS(=O)(=O)c1cccc(NC(=O)Cc2ccc(Cl)cc2)c1
Show InChI InChI=1S/C20H16ClFN2O3S/c21-15-10-8-14(9-11-15)12-20(25)23-16-4-3-5-17(13-16)28(26,27)24-19-7-2-1-6-18(19)22/h1-11,13,24H,12H2,(H,23,25)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a 1.57E+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