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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 1656.9
BDBM50441953

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))
BDBM50441953
PNG
(CHEMBL2440187)
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]1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O |r,wU:91.94,87.88,30.39,8.17,2.2,45.46,53.54,61.62,76.77,wD:95.97,106.108,20.28,4.4,62.64,69.70,70.73,(20.13,-29.15,;20.13,-27.61,;21.47,-26.84,;22.8,-27.61,;21.47,-25.3,;20.13,-24.53,;18.8,-25.3,;18.8,-26.84,;17.47,-24.53,;17.47,-22.98,;18.8,-22.21,;20.12,-22.98,;21.47,-22.21,;21.46,-20.67,;22.8,-19.89,;20.11,-19.9,;18.8,-20.68,;16.13,-25.29,;14.79,-24.53,;14.79,-22.98,;13.46,-25.29,;13.46,-26.83,;14.79,-27.6,;16.21,-26.98,;17.23,-28.12,;16.47,-29.46,;14.96,-29.14,;12.13,-24.51,;10.8,-25.29,;10.8,-26.83,;9.46,-24.51,;9.46,-22.97,;10.8,-22.2,;10.8,-20.67,;12.13,-19.89,;12.13,-18.35,;10.8,-17.58,;13.47,-17.58,;8.12,-25.29,;6.78,-24.51,;5.46,-25.28,;6.78,-22.97,;22.8,-24.54,;22.8,-22.99,;24.14,-25.3,;25.47,-24.54,;25.47,-22.99,;26.81,-22.22,;28.14,-22.99,;26.81,-20.68,;26.81,-25.31,;26.81,-26.85,;28.14,-24.54,;29.47,-25.31,;30.8,-24.54,;30.8,-23,;32.14,-22.22,;29.48,-22.23,;29.47,-26.85,;28.14,-27.62,;30.8,-27.62,;30.8,-29.16,;32.14,-29.93,;32.14,-31.47,;33.47,-29.16,;34.81,-29.93,;29.47,-29.93,;28.13,-29.16,;29.47,-31.93,;27.73,-32.93,;26.47,-32.05,;26.6,-30.51,;25.07,-32.7,;27.38,-34.9,;25.89,-35.3,;28.66,-36.44,;30.18,-36.17,;30.87,-34.29,;32.75,-33.61,;33.93,-34.6,;35.38,-34.08,;36.55,-35.07,;38,-34.55,;36.29,-36.59,;31.17,-37.35,;30.64,-38.8,;32.68,-37.09,;33.98,-38.63,;35.5,-38.53,;36.09,-39.95,;34.91,-40.94,;33.6,-40.12,;32.18,-40.69,;30.96,-39.74,;31.95,-42.22,;30.53,-42.8,;29.31,-41.85,;29.53,-40.32,;28.32,-39.38,;26.89,-39.95,;25.67,-39,;24.25,-39.58,;25.89,-37.48,;30.31,-44.32,;28.88,-44.9,;31.52,-45.27,;31.3,-46.8,;29.88,-47.37,;29.66,-48.9,;28.23,-49.47,;28.02,-51,;29.23,-51.95,;29.01,-53.48,;30.65,-51.38,;30.87,-49.85,;32.52,-47.75,;32.31,-49.27,;33.95,-47.17,)|
Show InChI InChI=1S/C76H121N25O17/c1-9-39(5)59(99-70(115)55(33-44-22-26-47(105)27-23-44)96-67(112)56(34-45-36-85-37-89-45)97-64(109)50(90-42(8)103)17-12-28-86-74(79)80)71(116)98-57(35-58(77)106)68(113)95-54(31-38(3)4)69(114)100-60(40(6)10-2)72(117)101-61(41(7)102)73(118)93-52(19-14-30-88-76(83)84)65(110)91-49-16-11-15-48(49)63(108)92-51(18-13-29-87-75(81)82)66(111)94-53(62(78)107)32-43-20-24-46(104)25-21-43/h20-27,36-41,48-57,59-61,102,104-105H,9-19,28-35H2,1-8H3,(H2,77,106)(H2,78,107)(H,85,89)(H,90,103)(H,91,110)(H,92,108)(H,93,118)(H,94,111)(H,95,113)(H,96,112)(H,97,109)(H,98,116)(H,99,115)(H,100,114)(H,101,117)(H4,79,80,86)(H4,81,82,87)(H4,83,84,88)/t39-,40-,41+,48+,49-,50-,51-,52-,53-,54-,55-,56-,57-,59-,60-,61-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
10n/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 5


(Homo sapiens (Human))
BDBM50441953
PNG
(CHEMBL2440187)
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]1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O |r,wU:91.94,87.88,30.39,8.17,2.2,45.46,53.54,61.62,76.77,wD:95.97,106.108,20.28,4.4,62.64,69.70,70.73,(20.13,-29.15,;20.13,-27.61,;21.47,-26.84,;22.8,-27.61,;21.47,-25.3,;20.13,-24.53,;18.8,-25.3,;18.8,-26.84,;17.47,-24.53,;17.47,-22.98,;18.8,-22.21,;20.12,-22.98,;21.47,-22.21,;21.46,-20.67,;22.8,-19.89,;20.11,-19.9,;18.8,-20.68,;16.13,-25.29,;14.79,-24.53,;14.79,-22.98,;13.46,-25.29,;13.46,-26.83,;14.79,-27.6,;16.21,-26.98,;17.23,-28.12,;16.47,-29.46,;14.96,-29.14,;12.13,-24.51,;10.8,-25.29,;10.8,-26.83,;9.46,-24.51,;9.46,-22.97,;10.8,-22.2,;10.8,-20.67,;12.13,-19.89,;12.13,-18.35,;10.8,-17.58,;13.47,-17.58,;8.12,-25.29,;6.78,-24.51,;5.46,-25.28,;6.78,-22.97,;22.8,-24.54,;22.8,-22.99,;24.14,-25.3,;25.47,-24.54,;25.47,-22.99,;26.81,-22.22,;28.14,-22.99,;26.81,-20.68,;26.81,-25.31,;26.81,-26.85,;28.14,-24.54,;29.47,-25.31,;30.8,-24.54,;30.8,-23,;32.14,-22.22,;29.48,-22.23,;29.47,-26.85,;28.14,-27.62,;30.8,-27.62,;30.8,-29.16,;32.14,-29.93,;32.14,-31.47,;33.47,-29.16,;34.81,-29.93,;29.47,-29.93,;28.13,-29.16,;29.47,-31.93,;27.73,-32.93,;26.47,-32.05,;26.6,-30.51,;25.07,-32.7,;27.38,-34.9,;25.89,-35.3,;28.66,-36.44,;30.18,-36.17,;30.87,-34.29,;32.75,-33.61,;33.93,-34.6,;35.38,-34.08,;36.55,-35.07,;38,-34.55,;36.29,-36.59,;31.17,-37.35,;30.64,-38.8,;32.68,-37.09,;33.98,-38.63,;35.5,-38.53,;36.09,-39.95,;34.91,-40.94,;33.6,-40.12,;32.18,-40.69,;30.96,-39.74,;31.95,-42.22,;30.53,-42.8,;29.31,-41.85,;29.53,-40.32,;28.32,-39.38,;26.89,-39.95,;25.67,-39,;24.25,-39.58,;25.89,-37.48,;30.31,-44.32,;28.88,-44.9,;31.52,-45.27,;31.3,-46.8,;29.88,-47.37,;29.66,-48.9,;28.23,-49.47,;28.02,-51,;29.23,-51.95,;29.01,-53.48,;30.65,-51.38,;30.87,-49.85,;32.52,-47.75,;32.31,-49.27,;33.95,-47.17,)|
Show InChI InChI=1S/C76H121N25O17/c1-9-39(5)59(99-70(115)55(33-44-22-26-47(105)27-23-44)96-67(112)56(34-45-36-85-37-89-45)97-64(109)50(90-42(8)103)17-12-28-86-74(79)80)71(116)98-57(35-58(77)106)68(113)95-54(31-38(3)4)69(114)100-60(40(6)10-2)72(117)101-61(41(7)102)73(118)93-52(19-14-30-88-76(83)84)65(110)91-49-16-11-15-48(49)63(108)92-51(18-13-29-87-75(81)82)66(111)94-53(62(78)107)32-43-20-24-46(104)25-21-43/h20-27,36-41,48-57,59-61,102,104-105H,9-19,28-35H2,1-8H3,(H2,77,106)(H2,78,107)(H,85,89)(H,90,103)(H,91,110)(H,92,108)(H,93,118)(H,94,111)(H,95,113)(H,96,112)(H,97,109)(H,98,116)(H,99,115)(H,100,114)(H,101,117)(H4,79,80,86)(H4,81,82,87)(H4,83,84,88)/t39-,40-,41+,48+,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
>500n/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 2


(Homo sapiens (Human))
BDBM50441953
PNG
(CHEMBL2440187)
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]1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O |r,wU:91.94,87.88,30.39,8.17,2.2,45.46,53.54,61.62,76.77,wD:95.97,106.108,20.28,4.4,62.64,69.70,70.73,(20.13,-29.15,;20.13,-27.61,;21.47,-26.84,;22.8,-27.61,;21.47,-25.3,;20.13,-24.53,;18.8,-25.3,;18.8,-26.84,;17.47,-24.53,;17.47,-22.98,;18.8,-22.21,;20.12,-22.98,;21.47,-22.21,;21.46,-20.67,;22.8,-19.89,;20.11,-19.9,;18.8,-20.68,;16.13,-25.29,;14.79,-24.53,;14.79,-22.98,;13.46,-25.29,;13.46,-26.83,;14.79,-27.6,;16.21,-26.98,;17.23,-28.12,;16.47,-29.46,;14.96,-29.14,;12.13,-24.51,;10.8,-25.29,;10.8,-26.83,;9.46,-24.51,;9.46,-22.97,;10.8,-22.2,;10.8,-20.67,;12.13,-19.89,;12.13,-18.35,;10.8,-17.58,;13.47,-17.58,;8.12,-25.29,;6.78,-24.51,;5.46,-25.28,;6.78,-22.97,;22.8,-24.54,;22.8,-22.99,;24.14,-25.3,;25.47,-24.54,;25.47,-22.99,;26.81,-22.22,;28.14,-22.99,;26.81,-20.68,;26.81,-25.31,;26.81,-26.85,;28.14,-24.54,;29.47,-25.31,;30.8,-24.54,;30.8,-23,;32.14,-22.22,;29.48,-22.23,;29.47,-26.85,;28.14,-27.62,;30.8,-27.62,;30.8,-29.16,;32.14,-29.93,;32.14,-31.47,;33.47,-29.16,;34.81,-29.93,;29.47,-29.93,;28.13,-29.16,;29.47,-31.93,;27.73,-32.93,;26.47,-32.05,;26.6,-30.51,;25.07,-32.7,;27.38,-34.9,;25.89,-35.3,;28.66,-36.44,;30.18,-36.17,;30.87,-34.29,;32.75,-33.61,;33.93,-34.6,;35.38,-34.08,;36.55,-35.07,;38,-34.55,;36.29,-36.59,;31.17,-37.35,;30.64,-38.8,;32.68,-37.09,;33.98,-38.63,;35.5,-38.53,;36.09,-39.95,;34.91,-40.94,;33.6,-40.12,;32.18,-40.69,;30.96,-39.74,;31.95,-42.22,;30.53,-42.8,;29.31,-41.85,;29.53,-40.32,;28.32,-39.38,;26.89,-39.95,;25.67,-39,;24.25,-39.58,;25.89,-37.48,;30.31,-44.32,;28.88,-44.9,;31.52,-45.27,;31.3,-46.8,;29.88,-47.37,;29.66,-48.9,;28.23,-49.47,;28.02,-51,;29.23,-51.95,;29.01,-53.48,;30.65,-51.38,;30.87,-49.85,;32.52,-47.75,;32.31,-49.27,;33.95,-47.17,)|
Show InChI InChI=1S/C76H121N25O17/c1-9-39(5)59(99-70(115)55(33-44-22-26-47(105)27-23-44)96-67(112)56(34-45-36-85-37-89-45)97-64(109)50(90-42(8)103)17-12-28-86-74(79)80)71(116)98-57(35-58(77)106)68(113)95-54(31-38(3)4)69(114)100-60(40(6)10-2)72(117)101-61(41(7)102)73(118)93-52(19-14-30-88-76(83)84)65(110)91-49-16-11-15-48(49)63(108)92-51(18-13-29-87-75(81)82)66(111)94-53(62(78)107)32-43-20-24-46(104)25-21-43/h20-27,36-41,48-57,59-61,102,104-105H,9-19,28-35H2,1-8H3,(H2,77,106)(H2,78,107)(H,85,89)(H,90,103)(H,91,110)(H,92,108)(H,93,118)(H,94,111)(H,95,113)(H,96,112)(H,97,109)(H,98,116)(H,99,115)(H,100,114)(H,101,117)(H4,79,80,86)(H4,81,82,87)(H4,83,84,88)/t39-,40-,41+,48+,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 1


(Homo sapiens (Human))
BDBM50441953
PNG
(CHEMBL2440187)
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]1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O |r,wU:91.94,87.88,30.39,8.17,2.2,45.46,53.54,61.62,76.77,wD:95.97,106.108,20.28,4.4,62.64,69.70,70.73,(20.13,-29.15,;20.13,-27.61,;21.47,-26.84,;22.8,-27.61,;21.47,-25.3,;20.13,-24.53,;18.8,-25.3,;18.8,-26.84,;17.47,-24.53,;17.47,-22.98,;18.8,-22.21,;20.12,-22.98,;21.47,-22.21,;21.46,-20.67,;22.8,-19.89,;20.11,-19.9,;18.8,-20.68,;16.13,-25.29,;14.79,-24.53,;14.79,-22.98,;13.46,-25.29,;13.46,-26.83,;14.79,-27.6,;16.21,-26.98,;17.23,-28.12,;16.47,-29.46,;14.96,-29.14,;12.13,-24.51,;10.8,-25.29,;10.8,-26.83,;9.46,-24.51,;9.46,-22.97,;10.8,-22.2,;10.8,-20.67,;12.13,-19.89,;12.13,-18.35,;10.8,-17.58,;13.47,-17.58,;8.12,-25.29,;6.78,-24.51,;5.46,-25.28,;6.78,-22.97,;22.8,-24.54,;22.8,-22.99,;24.14,-25.3,;25.47,-24.54,;25.47,-22.99,;26.81,-22.22,;28.14,-22.99,;26.81,-20.68,;26.81,-25.31,;26.81,-26.85,;28.14,-24.54,;29.47,-25.31,;30.8,-24.54,;30.8,-23,;32.14,-22.22,;29.48,-22.23,;29.47,-26.85,;28.14,-27.62,;30.8,-27.62,;30.8,-29.16,;32.14,-29.93,;32.14,-31.47,;33.47,-29.16,;34.81,-29.93,;29.47,-29.93,;28.13,-29.16,;29.47,-31.93,;27.73,-32.93,;26.47,-32.05,;26.6,-30.51,;25.07,-32.7,;27.38,-34.9,;25.89,-35.3,;28.66,-36.44,;30.18,-36.17,;30.87,-34.29,;32.75,-33.61,;33.93,-34.6,;35.38,-34.08,;36.55,-35.07,;38,-34.55,;36.29,-36.59,;31.17,-37.35,;30.64,-38.8,;32.68,-37.09,;33.98,-38.63,;35.5,-38.53,;36.09,-39.95,;34.91,-40.94,;33.6,-40.12,;32.18,-40.69,;30.96,-39.74,;31.95,-42.22,;30.53,-42.8,;29.31,-41.85,;29.53,-40.32,;28.32,-39.38,;26.89,-39.95,;25.67,-39,;24.25,-39.58,;25.89,-37.48,;30.31,-44.32,;28.88,-44.9,;31.52,-45.27,;31.3,-46.8,;29.88,-47.37,;29.66,-48.9,;28.23,-49.47,;28.02,-51,;29.23,-51.95,;29.01,-53.48,;30.65,-51.38,;30.87,-49.85,;32.52,-47.75,;32.31,-49.27,;33.95,-47.17,)|
Show InChI InChI=1S/C76H121N25O17/c1-9-39(5)59(99-70(115)55(33-44-22-26-47(105)27-23-44)96-67(112)56(34-45-36-85-37-89-45)97-64(109)50(90-42(8)103)17-12-28-86-74(79)80)71(116)98-57(35-58(77)106)68(113)95-54(31-38(3)4)69(114)100-60(40(6)10-2)72(117)101-61(41(7)102)73(118)93-52(19-14-30-88-76(83)84)65(110)91-49-16-11-15-48(49)63(108)92-51(18-13-29-87-75(81)82)66(111)94-53(62(78)107)32-43-20-24-46(104)25-21-43/h20-27,36-41,48-57,59-61,102,104-105H,9-19,28-35H2,1-8H3,(H2,77,106)(H2,78,107)(H,85,89)(H,90,103)(H,91,110)(H,92,108)(H,93,118)(H,94,111)(H,95,113)(H,96,112)(H,97,109)(H,98,116)(H,99,115)(H,100,114)(H,101,117)(H4,79,80,86)(H4,81,82,87)(H4,83,84,88)/t39-,40-,41+,48+,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))
BDBM50441953
PNG
(CHEMBL2440187)
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]1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O |r,wU:91.94,87.88,30.39,8.17,2.2,45.46,53.54,61.62,76.77,wD:95.97,106.108,20.28,4.4,62.64,69.70,70.73,(20.13,-29.15,;20.13,-27.61,;21.47,-26.84,;22.8,-27.61,;21.47,-25.3,;20.13,-24.53,;18.8,-25.3,;18.8,-26.84,;17.47,-24.53,;17.47,-22.98,;18.8,-22.21,;20.12,-22.98,;21.47,-22.21,;21.46,-20.67,;22.8,-19.89,;20.11,-19.9,;18.8,-20.68,;16.13,-25.29,;14.79,-24.53,;14.79,-22.98,;13.46,-25.29,;13.46,-26.83,;14.79,-27.6,;16.21,-26.98,;17.23,-28.12,;16.47,-29.46,;14.96,-29.14,;12.13,-24.51,;10.8,-25.29,;10.8,-26.83,;9.46,-24.51,;9.46,-22.97,;10.8,-22.2,;10.8,-20.67,;12.13,-19.89,;12.13,-18.35,;10.8,-17.58,;13.47,-17.58,;8.12,-25.29,;6.78,-24.51,;5.46,-25.28,;6.78,-22.97,;22.8,-24.54,;22.8,-22.99,;24.14,-25.3,;25.47,-24.54,;25.47,-22.99,;26.81,-22.22,;28.14,-22.99,;26.81,-20.68,;26.81,-25.31,;26.81,-26.85,;28.14,-24.54,;29.47,-25.31,;30.8,-24.54,;30.8,-23,;32.14,-22.22,;29.48,-22.23,;29.47,-26.85,;28.14,-27.62,;30.8,-27.62,;30.8,-29.16,;32.14,-29.93,;32.14,-31.47,;33.47,-29.16,;34.81,-29.93,;29.47,-29.93,;28.13,-29.16,;29.47,-31.93,;27.73,-32.93,;26.47,-32.05,;26.6,-30.51,;25.07,-32.7,;27.38,-34.9,;25.89,-35.3,;28.66,-36.44,;30.18,-36.17,;30.87,-34.29,;32.75,-33.61,;33.93,-34.6,;35.38,-34.08,;36.55,-35.07,;38,-34.55,;36.29,-36.59,;31.17,-37.35,;30.64,-38.8,;32.68,-37.09,;33.98,-38.63,;35.5,-38.53,;36.09,-39.95,;34.91,-40.94,;33.6,-40.12,;32.18,-40.69,;30.96,-39.74,;31.95,-42.22,;30.53,-42.8,;29.31,-41.85,;29.53,-40.32,;28.32,-39.38,;26.89,-39.95,;25.67,-39,;24.25,-39.58,;25.89,-37.48,;30.31,-44.32,;28.88,-44.9,;31.52,-45.27,;31.3,-46.8,;29.88,-47.37,;29.66,-48.9,;28.23,-49.47,;28.02,-51,;29.23,-51.95,;29.01,-53.48,;30.65,-51.38,;30.87,-49.85,;32.52,-47.75,;32.31,-49.27,;33.95,-47.17,)|
Show InChI InChI=1S/C76H121N25O17/c1-9-39(5)59(99-70(115)55(33-44-22-26-47(105)27-23-44)96-67(112)56(34-45-36-85-37-89-45)97-64(109)50(90-42(8)103)17-12-28-86-74(79)80)71(116)98-57(35-58(77)106)68(113)95-54(31-38(3)4)69(114)100-60(40(6)10-2)72(117)101-61(41(7)102)73(118)93-52(19-14-30-88-76(83)84)65(110)91-49-16-11-15-48(49)63(108)92-51(18-13-29-87-75(81)82)66(111)94-53(62(78)107)32-43-20-24-46(104)25-21-43/h20-27,36-41,48-57,59-61,102,104-105H,9-19,28-35H2,1-8H3,(H2,77,106)(H2,78,107)(H,85,89)(H,90,103)(H,91,110)(H,92,108)(H,93,118)(H,94,111)(H,95,113)(H,96,112)(H,97,109)(H,98,116)(H,99,115)(H,100,114)(H,101,117)(H4,79,80,86)(H4,81,82,87)(H4,83,84,88)/t39-,40-,41+,48+,49-,50-,51-,52-,53-,54-,55-,56-,57-,59-,60-,61-/m0/s1
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n/an/an/an/a 41n/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