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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 = 'BDBM50353153'   
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


(Homo sapiens (Human))
BDBM50353153
PNG
(CHEMBL1829325)
Show SMILES CC(C)S(=O)(=O)NC[C@H]1CC[C@@H](CC1)NC(=O)CN1C(=O)CCc2cc(Cl)ccc12 |r,wU:11.14,wD:8.7,(10.7,-24.94,;9.37,-24.17,;9.37,-22.63,;8.04,-24.94,;7.25,-26.26,;8.79,-26.26,;6.71,-24.17,;5.37,-24.93,;4.04,-24.16,;4.04,-22.62,;2.7,-21.84,;1.37,-22.62,;1.37,-24.16,;2.7,-24.92,;.03,-21.85,;-1.29,-22.62,;-1.29,-24.16,;-2.63,-21.85,;-3.96,-22.63,;-3.96,-24.17,;-2.63,-24.94,;-5.3,-24.93,;-6.63,-24.17,;-6.63,-22.64,;-7.97,-21.86,;-7.97,-20.32,;-9.3,-19.55,;-6.64,-19.55,;-5.3,-20.31,;-5.3,-21.86,)|
Show InChI InChI=1S/C21H30ClN3O4S/c1-14(2)30(28,29)23-12-15-3-7-18(8-4-15)24-20(26)13-25-19-9-6-17(22)11-16(19)5-10-21(25)27/h6,9,11,14-15,18,23H,3-5,7-8,10,12-13H2,1-2H3,(H,24,26)/t15-,18-
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
3.40n/an/an/an/an/an/an/an/a



Lundbeck Research USA, Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]PYY from human NPY5 receptor expressed in thymidine kinase deficient mouse LM cells after 120 mins by scintillation counting


Bioorg Med Chem Lett 21: 5573-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.078
BindingDB Entry DOI: 10.7270/Q2TQ61X3
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Homo sapiens (Human))
BDBM50353153
PNG
(CHEMBL1829325)
Show SMILES CC(C)S(=O)(=O)NC[C@H]1CC[C@@H](CC1)NC(=O)CN1C(=O)CCc2cc(Cl)ccc12 |r,wU:11.14,wD:8.7,(10.7,-24.94,;9.37,-24.17,;9.37,-22.63,;8.04,-24.94,;7.25,-26.26,;8.79,-26.26,;6.71,-24.17,;5.37,-24.93,;4.04,-24.16,;4.04,-22.62,;2.7,-21.84,;1.37,-22.62,;1.37,-24.16,;2.7,-24.92,;.03,-21.85,;-1.29,-22.62,;-1.29,-24.16,;-2.63,-21.85,;-3.96,-22.63,;-3.96,-24.17,;-2.63,-24.94,;-5.3,-24.93,;-6.63,-24.17,;-6.63,-22.64,;-7.97,-21.86,;-7.97,-20.32,;-9.3,-19.55,;-6.64,-19.55,;-5.3,-20.31,;-5.3,-21.86,)|
Show InChI InChI=1S/C21H30ClN3O4S/c1-14(2)30(28,29)23-12-15-3-7-18(8-4-15)24-20(26)13-25-19-9-6-17(22)11-16(19)5-10-21(25)27/h6,9,11,14-15,18,23H,3-5,7-8,10,12-13H2,1-2H3,(H,24,26)/t15-,18-
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
3.90n/an/an/an/an/an/an/an/a



Lundbeck Research USA

Curated by ChEMBL


Assay Description
Displacement of [125I]peptide YY from human NPY5 receptor


Bioorg Med Chem Lett 22: 2167-71 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.117
BindingDB Entry DOI: 10.7270/Q2BV7HNQ
More data for this
Ligand-Target Pair