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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 493.6
BDBM50140498

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))
BDBM50140498
PNG
((E)-N-(1-Acetyl-1,2,3,4-tetrahydro-quinolin-7-yl)-...)
Show SMILES CC(=O)N1CCCc2ccc(cc12)N(C1CCN(Cc2ccccc2)CC1)C(=O)\C=C\c1ccccc1
Show InChI InChI=1S/C32H35N3O2/c1-25(36)34-20-8-13-28-15-16-30(23-31(28)34)35(32(37)17-14-26-9-4-2-5-10-26)29-18-21-33(22-19-29)24-27-11-6-3-7-12-27/h2-7,9-12,14-17,23,29H,8,13,18-22,24H2,1H3/b17-14+
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Article
PubMed
n/an/a 1.00E+4n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]-PYY from human NPYY2 receptor


Bioorg Med Chem Lett 24: 430-41 (2014)


Article DOI: 10.1016/j.bmcl.2013.11.061
BindingDB Entry DOI: 10.7270/Q2H133HQ
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 2


(Homo sapiens (Human))
BDBM50140498
PNG
((E)-N-(1-Acetyl-1,2,3,4-tetrahydro-quinolin-7-yl)-...)
Show SMILES CC(=O)N1CCCc2ccc(cc12)N(C1CCN(Cc2ccccc2)CC1)C(=O)\C=C\c1ccccc1
Show InChI InChI=1S/C32H35N3O2/c1-25(36)34-20-8-13-28-15-16-30(23-31(28)34)35(32(37)17-14-26-9-4-2-5-10-26)29-18-21-33(22-19-29)24-27-11-6-3-7-12-27/h2-7,9-12,14-17,23,29H,8,13,18-22,24H2,1H3/b17-14+
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 1.00E+4n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Binding affinity towards the NPY Y2 receptor


Bioorg Med Chem Lett 14: 1239-42 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.057
BindingDB Entry DOI: 10.7270/Q2M044VK
More data for this
Ligand-Target Pair