BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 1661.9
BDBM50441963

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 5 hits in this display   
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))
BDBM50441963
PNG
(CHEMBL2440194)
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]-1-[#6]-[#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/c1-8-10-16-48(92-65(112)55(38-57(76)106)98-69(116)58(40(5)9-2)99-67(114)54(37-44-24-28-46(105)29-25-44)97-64(111)49(18-12-31-87-73(80)81)91-61(108)47(90-42(7)103)17-11-30-86-72(78)79)63(110)96-53(35-39(3)4)66(113)100-59(41(6)102)70(117)94-51(20-14-33-89-75(84)85)71(118)101-34-15-21-56(101)68(115)93-50(19-13-32-88-74(82)83)62(109)95-52(60(77)107)36-43-22-26-45(104)27-23-43/h22-29,39-41,47-56,58-59,102,104-105H,8-21,30-38H2,1-7H3,(H2,76,106)(H2,77,107)(H,90,103)(H,91,108)(H,92,112)(H,93,115)(H,94,117)(H,95,109)(H,96,110)(H,97,111)(H,98,116)(H,99,114)(H,100,113)(H4,78,79,86)(H4,80,81,87)(H4,82,83,88)(H4,84,85,89)/t40-,41+,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
75n/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 1


(Homo sapiens (Human))
BDBM50441963
PNG
(CHEMBL2440194)
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]-1-[#6]-[#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/c1-8-10-16-48(92-65(112)55(38-57(76)106)98-69(116)58(40(5)9-2)99-67(114)54(37-44-24-28-46(105)29-25-44)97-64(111)49(18-12-31-87-73(80)81)91-61(108)47(90-42(7)103)17-11-30-86-72(78)79)63(110)96-53(35-39(3)4)66(113)100-59(41(6)102)70(117)94-51(20-14-33-89-75(84)85)71(118)101-34-15-21-56(101)68(115)93-50(19-13-32-88-74(82)83)62(109)95-52(60(77)107)36-43-22-26-45(104)27-23-43/h22-29,39-41,47-56,58-59,102,104-105H,8-21,30-38H2,1-7H3,(H2,76,106)(H2,77,107)(H,90,103)(H,91,108)(H,92,112)(H,93,115)(H,94,117)(H,95,109)(H,96,110)(H,97,111)(H,98,116)(H,99,114)(H,100,113)(H4,78,79,86)(H4,80,81,87)(H4,82,83,88)(H4,84,85,89)/t40-,41+,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
281n/an/an/an/an/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Displacement of Cy5-pNPY from human Y1 receptor expressed in HEL 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 2


(Homo sapiens (Human))
BDBM50441963
PNG
(CHEMBL2440194)
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]-1-[#6]-[#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/c1-8-10-16-48(92-65(112)55(38-57(76)106)98-69(116)58(40(5)9-2)99-67(114)54(37-44-24-28-46(105)29-25-44)97-64(111)49(18-12-31-87-73(80)81)91-61(108)47(90-42(7)103)17-11-30-86-72(78)79)63(110)96-53(35-39(3)4)66(113)100-59(41(6)102)70(117)94-51(20-14-33-89-75(84)85)71(118)101-34-15-21-56(101)68(115)93-50(19-13-32-88-74(82)83)62(109)95-52(60(77)107)36-43-22-26-45(104)27-23-43/h22-29,39-41,47-56,58-59,102,104-105H,8-21,30-38H2,1-7H3,(H2,76,106)(H2,77,107)(H,90,103)(H,91,108)(H,92,112)(H,93,115)(H,94,117)(H,95,109)(H,96,110)(H,97,111)(H,98,116)(H,99,114)(H,100,113)(H4,78,79,86)(H4,80,81,87)(H4,82,83,88)(H4,84,85,89)/t40-,41+,47-,48-,49-,50-,51-,52-,53-,54-,55-,56-,58-,59-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
>1.00E+3n/an/an/an/an/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Displacement of Cy5-pNPY from human Y2 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 5


(Homo sapiens (Human))
BDBM50441963
PNG
(CHEMBL2440194)
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]-1-[#6]-[#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/c1-8-10-16-48(92-65(112)55(38-57(76)106)98-69(116)58(40(5)9-2)99-67(114)54(37-44-24-28-46(105)29-25-44)97-64(111)49(18-12-31-87-73(80)81)91-61(108)47(90-42(7)103)17-11-30-86-72(78)79)63(110)96-53(35-39(3)4)66(113)100-59(41(6)102)70(117)94-51(20-14-33-89-75(84)85)71(118)101-34-15-21-56(101)68(115)93-50(19-13-32-88-74(82)83)62(109)95-52(60(77)107)36-43-22-26-45(104)27-23-43/h22-29,39-41,47-56,58-59,102,104-105H,8-21,30-38H2,1-7H3,(H2,76,106)(H2,77,107)(H,90,103)(H,91,108)(H,92,112)(H,93,115)(H,94,117)(H,95,109)(H,96,110)(H,97,111)(H,98,116)(H,99,114)(H,100,113)(H4,78,79,86)(H4,80,81,87)(H4,82,83,88)(H4,84,85,89)/t40-,41+,47-,48-,49-,50-,51-,52-,53-,54-,55-,56-,58-,59-/m0/s1
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
>1.00E+3n/an/an/an/an/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Displacement of Cy5-pNPY from human Y5 receptor expressed in human HEC-1B 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))
BDBM50441963
PNG
(CHEMBL2440194)
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]-1-[#6]-[#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/c1-8-10-16-48(92-65(112)55(38-57(76)106)98-69(116)58(40(5)9-2)99-67(114)54(37-44-24-28-46(105)29-25-44)97-64(111)49(18-12-31-87-73(80)81)91-61(108)47(90-42(7)103)17-11-30-86-72(78)79)63(110)96-53(35-39(3)4)66(113)100-59(41(6)102)70(117)94-51(20-14-33-89-75(84)85)71(118)101-34-15-21-56(101)68(115)93-50(19-13-32-88-74(82)83)62(109)95-52(60(77)107)36-43-22-26-45(104)27-23-43/h22-29,39-41,47-56,58-59,102,104-105H,8-21,30-38H2,1-7H3,(H2,76,106)(H2,77,107)(H,90,103)(H,91,108)(H,92,112)(H,93,115)(H,94,117)(H,95,109)(H,96,110)(H,97,111)(H,98,116)(H,99,114)(H,100,113)(H4,78,79,86)(H4,80,81,87)(H4,82,83,88)(H4,84,85,89)/t40-,41+,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 53n/an/an/an/a



University of Regensburg

Curated by ChEMBL


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


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