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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 485.6
BDBM50140489

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))
BDBM50140489
PNG
((E)-N-(1-Acetyl-2,3-dihydro-1H-indol-6-yl)-N-(1-be...)
Show SMILES CC(=O)N1CCc2ccc(cc12)N(C1CCN(Cc2ccccc2)CC1)C(=O)\C=C\c1ccsc1
Show InChI InChI=1S/C29H31N3O2S/c1-22(33)31-17-11-25-8-9-27(19-28(25)31)32(29(34)10-7-24-14-18-35-21-24)26-12-15-30(16-13-26)20-23-5-3-2-4-6-23/h2-10,14,18-19,21,26H,11-13,15-17,20H2,1H3/b10-7+
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Similars

Article
PubMed
n/an/a 3.20E+3n/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))
BDBM50140489
PNG
((E)-N-(1-Acetyl-2,3-dihydro-1H-indol-6-yl)-N-(1-be...)
Show SMILES CC(=O)N1CCc2ccc(cc12)N(C1CCN(Cc2ccccc2)CC1)C(=O)\C=C\c1ccsc1
Show InChI InChI=1S/C29H31N3O2S/c1-22(33)31-17-11-25-8-9-27(19-28(25)31)32(29(34)10-7-24-14-18-35-21-24)26-12-15-30(16-13-26)20-23-5-3-2-4-6-23/h2-10,14,18-19,21,26H,11-13,15-17,20H2,1H3/b10-7+
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 3.20E+3n/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