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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 1658.9
BDBM50441954

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))
BDBM50441954
PNG
(CHEMBL2440186)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCN=C(N)N)NC(C)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O |r,wU:30.39,8.17,2.2,45.46,61.62,76.77,95.96,wD:20.28,4.4,53.54,62.64,69.70,70.73,87.88,106.107,(14.44,-25.37,;14.44,-23.83,;15.77,-23.06,;17.11,-23.83,;15.77,-21.52,;14.44,-20.75,;13.11,-21.52,;13.11,-23.06,;11.77,-20.75,;11.77,-19.21,;13.11,-18.44,;14.42,-19.22,;15.77,-18.45,;15.77,-16.9,;17.11,-16.13,;14.42,-16.14,;13.11,-16.91,;10.44,-21.52,;9.1,-20.75,;9.1,-19.21,;7.77,-21.52,;7.77,-23.06,;9.1,-23.83,;10.52,-23.21,;11.55,-24.35,;10.78,-25.69,;9.27,-25.37,;6.44,-20.75,;5.1,-21.52,;5.1,-23.06,;3.77,-20.75,;3.77,-19.21,;5.1,-18.44,;5.1,-16.9,;6.44,-16.13,;6.44,-14.59,;5.1,-13.82,;7.77,-13.82,;2.43,-21.52,;1.11,-20.75,;-.23,-21.52,;1.11,-19.21,;17.11,-20.75,;17.11,-19.21,;18.44,-21.52,;19.77,-20.75,;19.77,-19.21,;21.11,-18.44,;22.44,-19.21,;21.11,-16.9,;21.11,-21.52,;21.11,-23.06,;22.44,-20.75,;23.78,-21.52,;23.78,-23.06,;25.11,-23.83,;25.11,-25.37,;26.44,-23.06,;25.11,-20.75,;25.11,-19.21,;26.44,-21.52,;27.78,-20.75,;27.78,-19.21,;29.11,-18.44,;26.44,-18.44,;26.44,-16.9,;29.11,-21.52,;29.11,-23.06,;30.45,-20.75,;31.78,-21.52,;31.78,-23.06,;30.45,-23.83,;33.11,-23.83,;33.11,-20.75,;33.11,-19.21,;34.45,-21.52,;35.78,-20.75,;35.78,-19.21,;37.11,-18.44,;37.11,-16.9,;38.44,-16.13,;38.44,-14.59,;37.11,-13.82,;39.78,-13.82,;37.11,-21.52,;37.11,-23.06,;38.44,-20.75,;39.78,-21.52,;39.78,-23.06,;41.11,-23.83,;41.11,-25.37,;42.45,-23.06,;41.11,-20.75,;41.11,-19.21,;42.45,-21.52,;43.78,-20.75,;43.78,-19.21,;45.11,-18.44,;45.11,-16.9,;46.45,-16.13,;46.45,-14.59,;45.11,-13.82,;47.78,-13.82,;45.11,-21.52,;45.11,-23.06,;46.45,-20.75,;47.78,-21.52,;47.78,-23.06,;49.12,-23.83,;50.45,-23.06,;51.78,-23.83,;51.78,-25.37,;53.12,-26.14,;50.45,-26.14,;49.12,-25.37,;49.12,-20.75,;50.45,-21.52,;49.12,-19.21,)|
Show InChI InChI=1S/C76H123N25O17/c1-11-40(7)59(99-70(115)55(33-45-21-25-48(105)26-22-45)96-67(112)56(34-46-36-85-37-89-46)97-63(108)49(90-43(10)103)16-13-27-86-74(79)80)71(116)98-57(35-58(77)106)68(113)95-54(31-39(5)6)69(114)100-60(41(8)12-2)72(117)101-61(42(9)102)73(118)92-51(18-15-29-88-76(83)84)65(110)94-53(30-38(3)4)66(111)91-50(17-14-28-87-75(81)82)64(109)93-52(62(78)107)32-44-19-23-47(104)24-20-44/h19-26,36-42,49-57,59-61,102,104-105H,11-18,27-35H2,1-10H3,(H2,77,106)(H2,78,107)(H,85,89)(H,90,103)(H,91,111)(H,92,118)(H,93,109)(H,94,110)(H,95,113)(H,96,112)(H,97,108)(H,98,116)(H,99,115)(H,100,114)(H,101,117)(H4,79,80,86)(H4,81,82,87)(H4,83,84,88)/t40-,41-,42+,49-,50-,51-,52-,53-,54-,55-,56-,57-,59-,60-,61-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
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AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
157n/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 2


(Homo sapiens (Human))
BDBM50441954
PNG
(CHEMBL2440186)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCN=C(N)N)NC(C)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O |r,wU:30.39,8.17,2.2,45.46,61.62,76.77,95.96,wD:20.28,4.4,53.54,62.64,69.70,70.73,87.88,106.107,(14.44,-25.37,;14.44,-23.83,;15.77,-23.06,;17.11,-23.83,;15.77,-21.52,;14.44,-20.75,;13.11,-21.52,;13.11,-23.06,;11.77,-20.75,;11.77,-19.21,;13.11,-18.44,;14.42,-19.22,;15.77,-18.45,;15.77,-16.9,;17.11,-16.13,;14.42,-16.14,;13.11,-16.91,;10.44,-21.52,;9.1,-20.75,;9.1,-19.21,;7.77,-21.52,;7.77,-23.06,;9.1,-23.83,;10.52,-23.21,;11.55,-24.35,;10.78,-25.69,;9.27,-25.37,;6.44,-20.75,;5.1,-21.52,;5.1,-23.06,;3.77,-20.75,;3.77,-19.21,;5.1,-18.44,;5.1,-16.9,;6.44,-16.13,;6.44,-14.59,;5.1,-13.82,;7.77,-13.82,;2.43,-21.52,;1.11,-20.75,;-.23,-21.52,;1.11,-19.21,;17.11,-20.75,;17.11,-19.21,;18.44,-21.52,;19.77,-20.75,;19.77,-19.21,;21.11,-18.44,;22.44,-19.21,;21.11,-16.9,;21.11,-21.52,;21.11,-23.06,;22.44,-20.75,;23.78,-21.52,;23.78,-23.06,;25.11,-23.83,;25.11,-25.37,;26.44,-23.06,;25.11,-20.75,;25.11,-19.21,;26.44,-21.52,;27.78,-20.75,;27.78,-19.21,;29.11,-18.44,;26.44,-18.44,;26.44,-16.9,;29.11,-21.52,;29.11,-23.06,;30.45,-20.75,;31.78,-21.52,;31.78,-23.06,;30.45,-23.83,;33.11,-23.83,;33.11,-20.75,;33.11,-19.21,;34.45,-21.52,;35.78,-20.75,;35.78,-19.21,;37.11,-18.44,;37.11,-16.9,;38.44,-16.13,;38.44,-14.59,;37.11,-13.82,;39.78,-13.82,;37.11,-21.52,;37.11,-23.06,;38.44,-20.75,;39.78,-21.52,;39.78,-23.06,;41.11,-23.83,;41.11,-25.37,;42.45,-23.06,;41.11,-20.75,;41.11,-19.21,;42.45,-21.52,;43.78,-20.75,;43.78,-19.21,;45.11,-18.44,;45.11,-16.9,;46.45,-16.13,;46.45,-14.59,;45.11,-13.82,;47.78,-13.82,;45.11,-21.52,;45.11,-23.06,;46.45,-20.75,;47.78,-21.52,;47.78,-23.06,;49.12,-23.83,;50.45,-23.06,;51.78,-23.83,;51.78,-25.37,;53.12,-26.14,;50.45,-26.14,;49.12,-25.37,;49.12,-20.75,;50.45,-21.52,;49.12,-19.21,)|
Show InChI InChI=1S/C76H123N25O17/c1-11-40(7)59(99-70(115)55(33-45-21-25-48(105)26-22-45)96-67(112)56(34-46-36-85-37-89-46)97-63(108)49(90-43(10)103)16-13-27-86-74(79)80)71(116)98-57(35-58(77)106)68(113)95-54(31-39(5)6)69(114)100-60(41(8)12-2)72(117)101-61(42(9)102)73(118)92-51(18-15-29-88-76(83)84)65(110)94-53(30-38(3)4)66(111)91-50(17-14-28-87-75(81)82)64(109)93-52(62(78)107)32-44-19-23-47(104)24-20-44/h19-26,36-42,49-57,59-61,102,104-105H,11-18,27-35H2,1-10H3,(H2,77,106)(H2,78,107)(H,85,89)(H,90,103)(H,91,111)(H,92,118)(H,93,109)(H,94,110)(H,95,113)(H,96,112)(H,97,108)(H,98,116)(H,99,115)(H,100,114)(H,101,117)(H4,79,80,86)(H4,81,82,87)(H4,83,84,88)/t40-,41-,42+,49-,50-,51-,52-,53-,54-,55-,56-,57-,59-,60-,61-/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))
BDBM50441954
PNG
(CHEMBL2440186)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCN=C(N)N)NC(C)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O |r,wU:30.39,8.17,2.2,45.46,61.62,76.77,95.96,wD:20.28,4.4,53.54,62.64,69.70,70.73,87.88,106.107,(14.44,-25.37,;14.44,-23.83,;15.77,-23.06,;17.11,-23.83,;15.77,-21.52,;14.44,-20.75,;13.11,-21.52,;13.11,-23.06,;11.77,-20.75,;11.77,-19.21,;13.11,-18.44,;14.42,-19.22,;15.77,-18.45,;15.77,-16.9,;17.11,-16.13,;14.42,-16.14,;13.11,-16.91,;10.44,-21.52,;9.1,-20.75,;9.1,-19.21,;7.77,-21.52,;7.77,-23.06,;9.1,-23.83,;10.52,-23.21,;11.55,-24.35,;10.78,-25.69,;9.27,-25.37,;6.44,-20.75,;5.1,-21.52,;5.1,-23.06,;3.77,-20.75,;3.77,-19.21,;5.1,-18.44,;5.1,-16.9,;6.44,-16.13,;6.44,-14.59,;5.1,-13.82,;7.77,-13.82,;2.43,-21.52,;1.11,-20.75,;-.23,-21.52,;1.11,-19.21,;17.11,-20.75,;17.11,-19.21,;18.44,-21.52,;19.77,-20.75,;19.77,-19.21,;21.11,-18.44,;22.44,-19.21,;21.11,-16.9,;21.11,-21.52,;21.11,-23.06,;22.44,-20.75,;23.78,-21.52,;23.78,-23.06,;25.11,-23.83,;25.11,-25.37,;26.44,-23.06,;25.11,-20.75,;25.11,-19.21,;26.44,-21.52,;27.78,-20.75,;27.78,-19.21,;29.11,-18.44,;26.44,-18.44,;26.44,-16.9,;29.11,-21.52,;29.11,-23.06,;30.45,-20.75,;31.78,-21.52,;31.78,-23.06,;30.45,-23.83,;33.11,-23.83,;33.11,-20.75,;33.11,-19.21,;34.45,-21.52,;35.78,-20.75,;35.78,-19.21,;37.11,-18.44,;37.11,-16.9,;38.44,-16.13,;38.44,-14.59,;37.11,-13.82,;39.78,-13.82,;37.11,-21.52,;37.11,-23.06,;38.44,-20.75,;39.78,-21.52,;39.78,-23.06,;41.11,-23.83,;41.11,-25.37,;42.45,-23.06,;41.11,-20.75,;41.11,-19.21,;42.45,-21.52,;43.78,-20.75,;43.78,-19.21,;45.11,-18.44,;45.11,-16.9,;46.45,-16.13,;46.45,-14.59,;45.11,-13.82,;47.78,-13.82,;45.11,-21.52,;45.11,-23.06,;46.45,-20.75,;47.78,-21.52,;47.78,-23.06,;49.12,-23.83,;50.45,-23.06,;51.78,-23.83,;51.78,-25.37,;53.12,-26.14,;50.45,-26.14,;49.12,-25.37,;49.12,-20.75,;50.45,-21.52,;49.12,-19.21,)|
Show InChI InChI=1S/C76H123N25O17/c1-11-40(7)59(99-70(115)55(33-45-21-25-48(105)26-22-45)96-67(112)56(34-46-36-85-37-89-46)97-63(108)49(90-43(10)103)16-13-27-86-74(79)80)71(116)98-57(35-58(77)106)68(113)95-54(31-39(5)6)69(114)100-60(41(8)12-2)72(117)101-61(42(9)102)73(118)92-51(18-15-29-88-76(83)84)65(110)94-53(30-38(3)4)66(111)91-50(17-14-28-87-75(81)82)64(109)93-52(62(78)107)32-44-19-23-47(104)24-20-44/h19-26,36-42,49-57,59-61,102,104-105H,11-18,27-35H2,1-10H3,(H2,77,106)(H2,78,107)(H,85,89)(H,90,103)(H,91,111)(H,92,118)(H,93,109)(H,94,110)(H,95,113)(H,96,112)(H,97,108)(H,98,116)(H,99,115)(H,100,114)(H,101,117)(H4,79,80,86)(H4,81,82,87)(H4,83,84,88)/t40-,41-,42+,49-,50-,51-,52-,53-,54-,55-,56-,57-,59-,60-,61-/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 1


(Homo sapiens (Human))
BDBM50441954
PNG
(CHEMBL2440186)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCN=C(N)N)NC(C)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O |r,wU:30.39,8.17,2.2,45.46,61.62,76.77,95.96,wD:20.28,4.4,53.54,62.64,69.70,70.73,87.88,106.107,(14.44,-25.37,;14.44,-23.83,;15.77,-23.06,;17.11,-23.83,;15.77,-21.52,;14.44,-20.75,;13.11,-21.52,;13.11,-23.06,;11.77,-20.75,;11.77,-19.21,;13.11,-18.44,;14.42,-19.22,;15.77,-18.45,;15.77,-16.9,;17.11,-16.13,;14.42,-16.14,;13.11,-16.91,;10.44,-21.52,;9.1,-20.75,;9.1,-19.21,;7.77,-21.52,;7.77,-23.06,;9.1,-23.83,;10.52,-23.21,;11.55,-24.35,;10.78,-25.69,;9.27,-25.37,;6.44,-20.75,;5.1,-21.52,;5.1,-23.06,;3.77,-20.75,;3.77,-19.21,;5.1,-18.44,;5.1,-16.9,;6.44,-16.13,;6.44,-14.59,;5.1,-13.82,;7.77,-13.82,;2.43,-21.52,;1.11,-20.75,;-.23,-21.52,;1.11,-19.21,;17.11,-20.75,;17.11,-19.21,;18.44,-21.52,;19.77,-20.75,;19.77,-19.21,;21.11,-18.44,;22.44,-19.21,;21.11,-16.9,;21.11,-21.52,;21.11,-23.06,;22.44,-20.75,;23.78,-21.52,;23.78,-23.06,;25.11,-23.83,;25.11,-25.37,;26.44,-23.06,;25.11,-20.75,;25.11,-19.21,;26.44,-21.52,;27.78,-20.75,;27.78,-19.21,;29.11,-18.44,;26.44,-18.44,;26.44,-16.9,;29.11,-21.52,;29.11,-23.06,;30.45,-20.75,;31.78,-21.52,;31.78,-23.06,;30.45,-23.83,;33.11,-23.83,;33.11,-20.75,;33.11,-19.21,;34.45,-21.52,;35.78,-20.75,;35.78,-19.21,;37.11,-18.44,;37.11,-16.9,;38.44,-16.13,;38.44,-14.59,;37.11,-13.82,;39.78,-13.82,;37.11,-21.52,;37.11,-23.06,;38.44,-20.75,;39.78,-21.52,;39.78,-23.06,;41.11,-23.83,;41.11,-25.37,;42.45,-23.06,;41.11,-20.75,;41.11,-19.21,;42.45,-21.52,;43.78,-20.75,;43.78,-19.21,;45.11,-18.44,;45.11,-16.9,;46.45,-16.13,;46.45,-14.59,;45.11,-13.82,;47.78,-13.82,;45.11,-21.52,;45.11,-23.06,;46.45,-20.75,;47.78,-21.52,;47.78,-23.06,;49.12,-23.83,;50.45,-23.06,;51.78,-23.83,;51.78,-25.37,;53.12,-26.14,;50.45,-26.14,;49.12,-25.37,;49.12,-20.75,;50.45,-21.52,;49.12,-19.21,)|
Show InChI InChI=1S/C76H123N25O17/c1-11-40(7)59(99-70(115)55(33-45-21-25-48(105)26-22-45)96-67(112)56(34-46-36-85-37-89-46)97-63(108)49(90-43(10)103)16-13-27-86-74(79)80)71(116)98-57(35-58(77)106)68(113)95-54(31-39(5)6)69(114)100-60(41(8)12-2)72(117)101-61(42(9)102)73(118)92-51(18-15-29-88-76(83)84)65(110)94-53(30-38(3)4)66(111)91-50(17-14-28-87-75(81)82)64(109)93-52(62(78)107)32-44-19-23-47(104)24-20-44/h19-26,36-42,49-57,59-61,102,104-105H,11-18,27-35H2,1-10H3,(H2,77,106)(H2,78,107)(H,85,89)(H,90,103)(H,91,111)(H,92,118)(H,93,109)(H,94,110)(H,95,113)(H,96,112)(H,97,108)(H,98,116)(H,99,115)(H,100,114)(H,101,117)(H4,79,80,86)(H4,81,82,87)(H4,83,84,88)/t40-,41-,42+,49-,50-,51-,52-,53-,54-,55-,56-,57-,59-,60-,61-/m0/s1
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>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 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 4


(Homo sapiens (Human))
BDBM50441954
PNG
(CHEMBL2440186)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCN=C(N)N)NC(C)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O |r,wU:30.39,8.17,2.2,45.46,61.62,76.77,95.96,wD:20.28,4.4,53.54,62.64,69.70,70.73,87.88,106.107,(14.44,-25.37,;14.44,-23.83,;15.77,-23.06,;17.11,-23.83,;15.77,-21.52,;14.44,-20.75,;13.11,-21.52,;13.11,-23.06,;11.77,-20.75,;11.77,-19.21,;13.11,-18.44,;14.42,-19.22,;15.77,-18.45,;15.77,-16.9,;17.11,-16.13,;14.42,-16.14,;13.11,-16.91,;10.44,-21.52,;9.1,-20.75,;9.1,-19.21,;7.77,-21.52,;7.77,-23.06,;9.1,-23.83,;10.52,-23.21,;11.55,-24.35,;10.78,-25.69,;9.27,-25.37,;6.44,-20.75,;5.1,-21.52,;5.1,-23.06,;3.77,-20.75,;3.77,-19.21,;5.1,-18.44,;5.1,-16.9,;6.44,-16.13,;6.44,-14.59,;5.1,-13.82,;7.77,-13.82,;2.43,-21.52,;1.11,-20.75,;-.23,-21.52,;1.11,-19.21,;17.11,-20.75,;17.11,-19.21,;18.44,-21.52,;19.77,-20.75,;19.77,-19.21,;21.11,-18.44,;22.44,-19.21,;21.11,-16.9,;21.11,-21.52,;21.11,-23.06,;22.44,-20.75,;23.78,-21.52,;23.78,-23.06,;25.11,-23.83,;25.11,-25.37,;26.44,-23.06,;25.11,-20.75,;25.11,-19.21,;26.44,-21.52,;27.78,-20.75,;27.78,-19.21,;29.11,-18.44,;26.44,-18.44,;26.44,-16.9,;29.11,-21.52,;29.11,-23.06,;30.45,-20.75,;31.78,-21.52,;31.78,-23.06,;30.45,-23.83,;33.11,-23.83,;33.11,-20.75,;33.11,-19.21,;34.45,-21.52,;35.78,-20.75,;35.78,-19.21,;37.11,-18.44,;37.11,-16.9,;38.44,-16.13,;38.44,-14.59,;37.11,-13.82,;39.78,-13.82,;37.11,-21.52,;37.11,-23.06,;38.44,-20.75,;39.78,-21.52,;39.78,-23.06,;41.11,-23.83,;41.11,-25.37,;42.45,-23.06,;41.11,-20.75,;41.11,-19.21,;42.45,-21.52,;43.78,-20.75,;43.78,-19.21,;45.11,-18.44,;45.11,-16.9,;46.45,-16.13,;46.45,-14.59,;45.11,-13.82,;47.78,-13.82,;45.11,-21.52,;45.11,-23.06,;46.45,-20.75,;47.78,-21.52,;47.78,-23.06,;49.12,-23.83,;50.45,-23.06,;51.78,-23.83,;51.78,-25.37,;53.12,-26.14,;50.45,-26.14,;49.12,-25.37,;49.12,-20.75,;50.45,-21.52,;49.12,-19.21,)|
Show InChI InChI=1S/C76H123N25O17/c1-11-40(7)59(99-70(115)55(33-45-21-25-48(105)26-22-45)96-67(112)56(34-46-36-85-37-89-46)97-63(108)49(90-43(10)103)16-13-27-86-74(79)80)71(116)98-57(35-58(77)106)68(113)95-54(31-39(5)6)69(114)100-60(41(8)12-2)72(117)101-61(42(9)102)73(118)92-51(18-15-29-88-76(83)84)65(110)94-53(30-38(3)4)66(111)91-50(17-14-28-87-75(81)82)64(109)93-52(62(78)107)32-44-19-23-47(104)24-20-44/h19-26,36-42,49-57,59-61,102,104-105H,11-18,27-35H2,1-10H3,(H2,77,106)(H2,78,107)(H,85,89)(H,90,103)(H,91,111)(H,92,118)(H,93,109)(H,94,110)(H,95,113)(H,96,112)(H,97,108)(H,98,116)(H,99,115)(H,100,114)(H,101,117)(H4,79,80,86)(H4,81,82,87)(H4,83,84,88)/t40-,41-,42+,49-,50-,51-,52-,53-,54-,55-,56-,57-,59-,60-,61-/m0/s1
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n/an/an/an/a 100n/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