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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 337.4
BDBM61804
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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))
BDBM61804
PNG
(MLS000569792 | N-[3-(1H-benzimidazol-2-yl)-4,5,6,7...)
Show SMILES O=C(Nc1sc2CCCCc2c1-c1nc2ccccc2[nH]1)C1CC1
Show InChI InChI=1S/C19H19N3OS/c23-18(11-9-10-11)22-19-16(12-5-1-4-8-15(12)24-19)17-20-13-6-2-3-7-14(13)21-17/h2-3,6-7,11H,1,4-5,8-10H2,(H,20,21)(H,22,23)
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UniProtKB/SwissProt

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PC cid
PC sid
UniChem
PCBioAssay
n/an/an/an/a 1.73E+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))
BDBM61804
PNG
(MLS000569792 | N-[3-(1H-benzimidazol-2-yl)-4,5,6,7...)
Show SMILES O=C(Nc1sc2CCCCc2c1-c1nc2ccccc2[nH]1)C1CC1
Show InChI InChI=1S/C19H19N3OS/c23-18(11-9-10-11)22-19-16(12-5-1-4-8-15(12)24-19)17-20-13-6-2-3-7-14(13)21-17/h2-3,6-7,11H,1,4-5,8-10H2,(H,20,21)(H,22,23)
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