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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 394.5
BDBM61789
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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 2


(Homo sapiens (Human))
BDBM61789
PNG
(MLS000674641 | N-[3-(3,5-dimethyl-1-piperidinyl)pr...)
Show SMILES CC1CC(C)CN(CCCNC(=O)c2cc3c(n2C)c2ccccc2[nH]c3=O)C1
Show InChI InChI=1S/C23H30N4O2/c1-15-11-16(2)14-27(13-15)10-6-9-24-23(29)20-12-18-21(26(20)3)17-7-4-5-8-19(17)25-22(18)28/h4-5,7-8,12,15-16H,6,9-11,13-14H2,1-3H3,(H,24,29)(H,25,28)
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UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Similars

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/Q28P5XX5
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(Homo sapiens (Human))
BDBM61789
PNG
(MLS000674641 | N-[3-(3,5-dimethyl-1-piperidinyl)pr...)
Show SMILES CC1CC(C)CN(CCCNC(=O)c2cc3c(n2C)c2ccccc2[nH]c3=O)C1
Show InChI InChI=1S/C23H30N4O2/c1-15-11-16(2)14-27(13-15)10-6-9-24-23(29)20-12-18-21(26(20)3)17-7-4-5-8-19(17)25-22(18)28/h4-5,7-8,12,15-16H,6,9-11,13-14H2,1-3H3,(H,24,29)(H,25,28)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

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/Q29P302B
More data for this
Ligand-Target Pair