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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Neuropeptide Y receptor type 5' and Ligand = 'BDBM50353141'   
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))		BDBM50353141
PNG
(CHEMBL1829313)
Show SMILES CC1(C)CC(=O)N(CC(=O)N[C@H]2CC[C@H](CNS(=O)(=O)C3CC3)CC2)c2ccccc2S1 |r,wU:11.10,wD:14.14,(-7.58,-23.09,;-7.57,-21.56,;-8.91,-22.31,;-6.06,-21.95,;-4.81,-21.02,;-3.44,-21.73,;-4.77,-19.46,;-3.45,-18.66,;-2.1,-19.39,;-2.06,-20.93,;-.79,-18.59,;.57,-19.32,;1.87,-18.52,;3.22,-19.26,;3.26,-20.8,;4.61,-21.54,;5.93,-20.75,;7.27,-21.49,;6.49,-22.81,;8.03,-22.81,;8.59,-20.69,;10.12,-20.65,;9.33,-19.34,;1.94,-21.6,;.6,-20.86,;-5.96,-18.45,;-5.45,-17,;-6.45,-15.83,;-7.97,-16.11,;-8.49,-17.56,;-7.48,-18.74,;-8.2,-20.13,)|
Show InChI InChI=1S/C23H33N3O4S2/c1-23(2)13-22(28)26(19-5-3-4-6-20(19)31-23)15-21(27)25-17-9-7-16(8-10-17)14-24-32(29,30)18-11-12-18/h3-6,16-18,24H,7-15H2,1-2H3,(H,25,27)/t16-,17-
KEGG

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PC cid
PC sid
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Similars
Article
PubMed
 210n/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