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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Neuropeptide Y receptor type 5' and Ligand = 'BDBM50304297'   
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 5


(Rat 6B)
BDBM50304297
PNG
(CHEMBL594163 | trans-3-Oxo-N-(1-phenyl-1H-pyrazol-...)
Show SMILES O=C(Nc1ccn(n1)-c1ccccc1)[C@H]1CC[C@@]2(CC1)OC(=O)c1ncccc21 |r,wU:17.22,wD:14.15,(24.81,-8.6,;25.58,-9.94,;27.12,-9.94,;28,-11.21,;29.55,-11.24,;29.99,-12.71,;28.72,-13.59,;27.5,-12.65,;28.69,-15.12,;27.34,-15.86,;27.3,-17.4,;28.62,-18.2,;29.97,-17.45,;30,-15.91,;24.81,-11.27,;23.27,-11.27,;22.5,-12.6,;23.27,-13.93,;24.81,-13.93,;25.58,-12.6,;24.19,-15.19,;23.28,-16.44,;23.75,-17.91,;21.8,-15.96,;20.47,-16.74,;19.14,-15.96,;19.14,-14.42,;20.47,-13.65,;21.8,-14.41,)|
Show InChI InChI=1S/C22H20N4O3/c27-20(24-18-10-14-26(25-18)16-5-2-1-3-6-16)15-8-11-22(12-9-15)17-7-4-13-23-19(17)21(28)29-22/h1-7,10,13-15H,8-9,11-12H2,(H,24,25,27)/t15-,22-
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.70n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Inhibition of rat Y5 receptor


Bioorg Med Chem 17: 6971-82 (2009)


Article DOI: 10.1016/j.bmc.2009.08.019
BindingDB Entry DOI: 10.7270/Q2P26Z62
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Homo sapiens (Human))
BDBM50304297
PNG
(CHEMBL594163 | trans-3-Oxo-N-(1-phenyl-1H-pyrazol-...)
Show SMILES O=C(Nc1ccn(n1)-c1ccccc1)[C@H]1CC[C@@]2(CC1)OC(=O)c1ncccc21 |r,wU:17.22,wD:14.15,(24.81,-8.6,;25.58,-9.94,;27.12,-9.94,;28,-11.21,;29.55,-11.24,;29.99,-12.71,;28.72,-13.59,;27.5,-12.65,;28.69,-15.12,;27.34,-15.86,;27.3,-17.4,;28.62,-18.2,;29.97,-17.45,;30,-15.91,;24.81,-11.27,;23.27,-11.27,;22.5,-12.6,;23.27,-13.93,;24.81,-13.93,;25.58,-12.6,;24.19,-15.19,;23.28,-16.44,;23.75,-17.91,;21.8,-15.96,;20.47,-16.74,;19.14,-15.96,;19.14,-14.42,;20.47,-13.65,;21.8,-14.41,)|
Show InChI InChI=1S/C22H20N4O3/c27-20(24-18-10-14-26(25-18)16-5-2-1-3-6-16)15-8-11-22(12-9-15)17-7-4-13-23-19(17)21(28)29-22/h1-7,10,13-15H,8-9,11-12H2,(H,24,25,27)/t15-,22-
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 4.40n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]PYY from human recombinant Y5 receptor


Bioorg Med Chem 17: 6971-82 (2009)


Article DOI: 10.1016/j.bmc.2009.08.019
BindingDB Entry DOI: 10.7270/Q2P26Z62
More data for this
Ligand-Target Pair