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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Neuropeptide Y receptor type 1' and Ligand = 'BDBM50309860'   
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 1


(Homo sapiens (Human))
BDBM50309860
PNG
((3S,6S,9S,12S,15S,18S)-1-((S)-1-((S)-4-amino-2-((2...)
Show SMILES [#6]-[#6]-[#6@H](-[#6])-[#6@H](-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccc(-[#8])cc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccc(-[#8])cc1)-[#6](-[#8])=O |r|
Show InChI InChI=1S/C57H91N17O13/c1-5-32(4)46(60)53(84)72-42(30-45(59)77)54(85)74-26-10-14-44(74)52(83)69-37(11-6-7-23-58)47(78)71-41(28-33-15-19-35(75)20-16-33)51(82)68-38(12-8-24-65-56(61)62)48(79)70-40(27-31(2)3)50(81)67-39(13-9-25-66-57(63)64)49(80)73-43(55(86)87)29-34-17-21-36(76)22-18-34/h15-22,31-32,37-44,46,75-76H,5-14,23-30,58,60H2,1-4H3,(H2,59,77)(H,67,81)(H,68,82)(H,69,83)(H,70,79)(H,71,78)(H,72,84)(H,73,80)(H,86,87)(H4,61,62,65)(H4,63,64,66)/t32-,37-,38-,39-,40-,41-,42-,43-,44-,46-/m0/s1
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Similars

Article
PubMed
7n/an/an/an/an/an/an/an/a



Universit£ de Sherbrooke

Curated by ChEMBL


Assay Description
Displacement of [125I]NPY from human neuropeptide Y1 receptor expressed in human MCF7 cells after 40 mins


Bioorg Med Chem Lett 20: 950-3 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.068
BindingDB Entry DOI: 10.7270/Q2V9886H
More data for this
Ligand-Target Pair