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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 = 'BDBM50309859'   
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))
BDBM50309859
PNG
((3S,6S,9S,12S,15S,18S)-1-((S)-1-((S)-6-amino-2-((2...)
Show SMILES [#6]-[#6]-[#6@H](-[#6])-[#6@H](-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6@@H](-[#6])-[#6]-[#6])-[#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/C59H96N16O12/c1-7-34(5)47(61)54(83)70-42(14-9-10-26-60)56(85)75-29-13-17-46(75)53(82)74-48(35(6)8-2)55(84)72-44(31-36-18-22-38(76)23-19-36)52(81)69-40(15-11-27-66-58(62)63)49(78)71-43(30-33(3)4)51(80)68-41(16-12-28-67-59(64)65)50(79)73-45(57(86)87)32-37-20-24-39(77)25-21-37/h18-25,33-35,40-48,76-77H,7-17,26-32,60-61H2,1-6H3,(H,68,80)(H,69,81)(H,70,83)(H,71,78)(H,72,84)(H,73,79)(H,74,82)(H,86,87)(H4,62,63,66)(H4,64,65,67)/t34-,35-,40-,41-,42-,43-,44-,45-,46-,47-,48-/m0/s1
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Similars

Article
PubMed
128n/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