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BDBM50353159 CHEMBL1829331

SMILES: CC(C)S(=O)(=O)NC[C@H]1CC[C@@H](CC1)NCCN1CCOc2cc(Cl)ccc12

InChI Key: InChIKey=QJNWRJUSZWSUDA-SAABIXHNSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50353159   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kcal/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Neuropeptide Y receptor type 5 ( NPY Y5)


(Homo sapiens (Human))		BDBM50353159
PNG
(CHEMBL1829331)
Show SMILES CC(C)S(=O)(=O)NC[C@H]1CC[C@@H](CC1)NCCN1CCOc2cc(Cl)ccc12 |r,wU:8.7,wD:11.14,(10.45,-.43,;9.12,.34,;9.12,1.88,;7.78,-.43,;7,-1.75,;8.54,-1.75,;6.45,.35,;5.11,-.42,;3.78,.35,;2.45,-.41,;1.12,.36,;1.12,1.9,;2.45,2.67,;3.78,1.9,;-.21,2.66,;-1.55,1.89,;-2.88,2.66,;-4.21,1.89,;-4.22,.35,;-5.55,-.42,;-6.88,.35,;-6.88,1.88,;-8.22,2.65,;-8.22,4.19,;-9.55,4.96,;-6.89,4.96,;-5.55,4.2,;-5.55,2.65,)|
Show InChI InChI=1S/C20H32ClN3O3S/c1-15(2)28(25,26)23-14-16-3-6-18(7-4-16)22-9-10-24-11-12-27-20-13-17(21)5-8-19(20)24/h5,8,13,15-16,18,22-23H,3-4,6-7,9-12,14H2,1-2H3/t16-,18-
KEGG

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Article
PubMed
 14n/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