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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 445.9
BDBM61810
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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))
BDBM61810
PNG
(4-(3-chlorophenyl)-N-[3-(difluoromethylsulfonyl)ph...)
Show SMILES FC(F)S(=O)(=O)c1cccc(NC(=S)N2CCN(CC2)c2cccc(Cl)c2)c1
Show InChI InChI=1S/C18H18ClF2N3O2S2/c19-13-3-1-5-15(11-13)23-7-9-24(10-8-23)18(27)22-14-4-2-6-16(12-14)28(25,26)17(20)21/h1-6,11-12,17H,7-10H2,(H,22,27)
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UniProtKB/SwissProt

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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))
BDBM61810
PNG
(4-(3-chlorophenyl)-N-[3-(difluoromethylsulfonyl)ph...)
Show SMILES FC(F)S(=O)(=O)c1cccc(NC(=S)N2CCN(CC2)c2cccc(Cl)c2)c1
Show InChI InChI=1S/C18H18ClF2N3O2S2/c19-13-3-1-5-15(11-13)23-7-9-24(10-8-23)18(27)22-14-4-2-6-16(12-14)28(25,26)17(20)21/h1-6,11-12,17H,7-10H2,(H,22,27)
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