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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Neuropeptide Y receptor type 4' and Ligand = 'BDBM50441961'   
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 4


(Homo sapiens (Human))
BDBM50441961
PNG
(CHEMBL2440196)
Show SMILES [#6]-[#6]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](-[#6])=O)-[#6@@H](-[#6])-[#6]-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6@@H](-[#6])-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@H]-1-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccc(-[#8])cc1)-[#6](-[#7])=O |r|
Show InChI InChI=1S/C75H124N26O17/c1-8-10-15-49(94-67(114)56(37-57(76)106)99-70(117)58(39(5)9-2)100-69(116)55(36-43-22-26-45(105)27-23-43)98-66(113)51(18-13-32-88-74(82)83)93-62(109)48(90-41(7)103)16-11-30-86-72(78)79)65(112)97-54(34-38(3)4)68(115)101-59(40(6)102)71(118)95-52(19-14-33-89-75(84)85)63(110)91-47-29-28-46(47)61(108)92-50(17-12-31-87-73(80)81)64(111)96-53(60(77)107)35-42-20-24-44(104)25-21-42/h20-27,38-40,46-56,58-59,102,104-105H,8-19,28-37H2,1-7H3,(H2,76,106)(H2,77,107)(H,90,103)(H,91,110)(H,92,108)(H,93,109)(H,94,114)(H,95,118)(H,96,111)(H,97,112)(H,98,113)(H,99,117)(H,100,116)(H,101,115)(H4,78,79,86)(H4,80,81,87)(H4,82,83,88)(H4,84,85,89)/t39-,40+,46+,47-,48-,49-,50-,51-,52-,53-,54-,55-,56-,58-,59-/m0/s1
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PC cid
PC sid
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Similars

Article
PubMed
93n/an/an/an/an/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Displacement of Cy5-[K4]hPP from human Y4 receptor expressed in CHO cells after 90 to 120 mins by flow cytometry


J Med Chem 56: 8422-31 (2013)


Article DOI: 10.1021/jm4008505
BindingDB Entry DOI: 10.7270/Q25X2BC9
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 4


(Homo sapiens (Human))
BDBM50441961
PNG
(CHEMBL2440196)
Show SMILES [#6]-[#6]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](-[#6])=O)-[#6@@H](-[#6])-[#6]-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6@@H](-[#6])-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@H]-1-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccc(-[#8])cc1)-[#6](-[#7])=O |r|
Show InChI InChI=1S/C75H124N26O17/c1-8-10-15-49(94-67(114)56(37-57(76)106)99-70(117)58(39(5)9-2)100-69(116)55(36-43-22-26-45(105)27-23-43)98-66(113)51(18-13-32-88-74(82)83)93-62(109)48(90-41(7)103)16-11-30-86-72(78)79)65(112)97-54(34-38(3)4)68(115)101-59(40(6)102)71(118)95-52(19-14-33-89-75(84)85)63(110)91-47-29-28-46(47)61(108)92-50(17-12-31-87-73(80)81)64(111)96-53(60(77)107)35-42-20-24-44(104)25-21-42/h20-27,38-40,46-56,58-59,102,104-105H,8-19,28-37H2,1-7H3,(H2,76,106)(H2,77,107)(H,90,103)(H,91,110)(H,92,108)(H,93,109)(H,94,114)(H,95,118)(H,96,111)(H,97,112)(H,98,113)(H,99,117)(H,100,116)(H,101,115)(H4,78,79,86)(H4,80,81,87)(H4,82,83,88)(H4,84,85,89)/t39-,40+,46+,47-,48-,49-,50-,51-,52-,53-,54-,55-,56-,58-,59-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 284n/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Agonist activity at human Y4 receptor expressed in sf9 cells assessed as hydrolysis of [gamma-33P]GTP after 2 mins by scintillation counting analysis


J Med Chem 56: 8422-31 (2013)


Article DOI: 10.1021/jm4008505
BindingDB Entry DOI: 10.7270/Q25X2BC9
More data for this
Ligand-Target Pair