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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 1642.9
BDBM50441969

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))
BDBM50441969
PNG
(CHEMBL2440188)
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]1CC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O |r,wU:87.88,30.39,8.17,2.2,45.46,61.62,69.70,94.96,90.93,wD:20.28,4.4,53.54,62.64,70.73,76.77,105.107,(16.22,-29.76,;15.45,-28.43,;16.22,-27.09,;17.76,-27.09,;15.45,-25.76,;13.91,-25.76,;13.14,-27.09,;13.91,-28.43,;11.6,-27.09,;10.83,-25.76,;11.6,-24.42,;13.14,-24.42,;13.91,-23.09,;13.14,-21.76,;13.91,-20.42,;11.6,-21.76,;10.83,-23.09,;10.83,-28.43,;9.29,-28.43,;8.52,-27.09,;8.52,-29.76,;9.29,-31.09,;10.83,-31.09,;11.74,-29.84,;13.2,-30.32,;13.2,-31.86,;11.74,-32.34,;6.98,-29.76,;6.21,-31.09,;6.98,-32.43,;4.67,-31.09,;3.9,-29.76,;4.67,-28.43,;3.9,-27.09,;4.67,-25.76,;3.9,-24.42,;2.36,-24.42,;4.67,-23.09,;3.9,-32.43,;2.36,-32.43,;1.59,-33.76,;1.59,-31.09,;16.22,-24.42,;15.45,-23.09,;17.76,-24.42,;18.53,-23.09,;17.76,-21.76,;18.53,-20.42,;20.07,-20.42,;17.76,-19.09,;20.07,-23.09,;20.84,-24.42,;20.84,-21.76,;22.38,-21.76,;23.15,-23.09,;24.69,-23.09,;25.46,-24.42,;25.46,-21.76,;23.15,-20.42,;22.38,-19.09,;24.69,-20.42,;25.46,-19.09,;24.69,-17.76,;25.46,-16.42,;23.15,-17.76,;22.38,-16.42,;27,-19.09,;27.77,-20.42,;27.77,-17.76,;29.31,-17.76,;30.08,-16.42,;31.62,-16.42,;29.31,-15.09,;30.08,-19.09,;29.31,-20.42,;31.62,-19.09,;32.39,-20.42,;31.62,-21.76,;32.39,-23.09,;33.93,-23.09,;34.7,-24.42,;33.93,-25.76,;32.39,-25.76,;34.7,-27.09,;33.93,-20.42,;34.7,-19.09,;34.7,-21.76,;36.24,-21.76,;37.33,-20.67,;38.42,-21.76,;37.33,-22.85,;37.33,-24.39,;36,-25.16,;38.66,-25.16,;39.99,-24.39,;39.99,-22.85,;41.33,-22.07,;41.33,-20.53,;42.67,-19.76,;42.67,-18.22,;41.33,-17.45,;44,-17.45,;41.33,-25.16,;41.33,-26.7,;42.67,-24.39,;44,-25.16,;44,-26.7,;45.33,-27.47,;46.66,-26.7,;48,-27.47,;48,-29.01,;49.34,-29.78,;46.66,-29.78,;45.33,-29.01,;45.33,-24.39,;46.67,-25.16,;45.33,-22.85,)|
Show InChI InChI=1S/C75H119N25O17/c1-9-38(5)58(98-69(114)54(32-43-19-23-46(104)24-20-43)95-66(111)55(33-44-35-84-36-88-44)96-63(108)49(89-41(8)102)14-11-27-85-73(78)79)70(115)97-56(34-57(76)105)67(112)94-53(30-37(3)4)68(113)99-59(39(6)10-2)71(116)100-60(40(7)101)72(117)92-51(16-13-29-87-75(82)83)64(109)90-48-26-25-47(48)62(107)91-50(15-12-28-86-74(80)81)65(110)93-52(61(77)106)31-42-17-21-45(103)22-18-42/h17-24,35-40,47-56,58-60,101,103-104H,9-16,25-34H2,1-8H3,(H2,76,105)(H2,77,106)(H,84,88)(H,89,102)(H,90,109)(H,91,107)(H,92,117)(H,93,110)(H,94,112)(H,95,111)(H,96,108)(H,97,115)(H,98,114)(H,99,113)(H,100,116)(H4,78,79,85)(H4,80,81,86)(H4,82,83,87)/t38-,39-,40+,47+,48-,49-,50-,51-,52-,53-,54-,55-,56-,58-,59-,60-/m0/s1
PDB

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KEGG

UniProtKB/SwissProt

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PC cid
PC sid
UniChem

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Article
PubMed
72n/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))
BDBM50441969
PNG
(CHEMBL2440188)
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]1CC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O |r,wU:87.88,30.39,8.17,2.2,45.46,61.62,69.70,94.96,90.93,wD:20.28,4.4,53.54,62.64,70.73,76.77,105.107,(16.22,-29.76,;15.45,-28.43,;16.22,-27.09,;17.76,-27.09,;15.45,-25.76,;13.91,-25.76,;13.14,-27.09,;13.91,-28.43,;11.6,-27.09,;10.83,-25.76,;11.6,-24.42,;13.14,-24.42,;13.91,-23.09,;13.14,-21.76,;13.91,-20.42,;11.6,-21.76,;10.83,-23.09,;10.83,-28.43,;9.29,-28.43,;8.52,-27.09,;8.52,-29.76,;9.29,-31.09,;10.83,-31.09,;11.74,-29.84,;13.2,-30.32,;13.2,-31.86,;11.74,-32.34,;6.98,-29.76,;6.21,-31.09,;6.98,-32.43,;4.67,-31.09,;3.9,-29.76,;4.67,-28.43,;3.9,-27.09,;4.67,-25.76,;3.9,-24.42,;2.36,-24.42,;4.67,-23.09,;3.9,-32.43,;2.36,-32.43,;1.59,-33.76,;1.59,-31.09,;16.22,-24.42,;15.45,-23.09,;17.76,-24.42,;18.53,-23.09,;17.76,-21.76,;18.53,-20.42,;20.07,-20.42,;17.76,-19.09,;20.07,-23.09,;20.84,-24.42,;20.84,-21.76,;22.38,-21.76,;23.15,-23.09,;24.69,-23.09,;25.46,-24.42,;25.46,-21.76,;23.15,-20.42,;22.38,-19.09,;24.69,-20.42,;25.46,-19.09,;24.69,-17.76,;25.46,-16.42,;23.15,-17.76,;22.38,-16.42,;27,-19.09,;27.77,-20.42,;27.77,-17.76,;29.31,-17.76,;30.08,-16.42,;31.62,-16.42,;29.31,-15.09,;30.08,-19.09,;29.31,-20.42,;31.62,-19.09,;32.39,-20.42,;31.62,-21.76,;32.39,-23.09,;33.93,-23.09,;34.7,-24.42,;33.93,-25.76,;32.39,-25.76,;34.7,-27.09,;33.93,-20.42,;34.7,-19.09,;34.7,-21.76,;36.24,-21.76,;37.33,-20.67,;38.42,-21.76,;37.33,-22.85,;37.33,-24.39,;36,-25.16,;38.66,-25.16,;39.99,-24.39,;39.99,-22.85,;41.33,-22.07,;41.33,-20.53,;42.67,-19.76,;42.67,-18.22,;41.33,-17.45,;44,-17.45,;41.33,-25.16,;41.33,-26.7,;42.67,-24.39,;44,-25.16,;44,-26.7,;45.33,-27.47,;46.66,-26.7,;48,-27.47,;48,-29.01,;49.34,-29.78,;46.66,-29.78,;45.33,-29.01,;45.33,-24.39,;46.67,-25.16,;45.33,-22.85,)|
Show InChI InChI=1S/C75H119N25O17/c1-9-38(5)58(98-69(114)54(32-43-19-23-46(104)24-20-43)95-66(111)55(33-44-35-84-36-88-44)96-63(108)49(89-41(8)102)14-11-27-85-73(78)79)70(115)97-56(34-57(76)105)67(112)94-53(30-37(3)4)68(113)99-59(39(6)10-2)71(116)100-60(40(7)101)72(117)92-51(16-13-29-87-75(82)83)64(109)90-48-26-25-47(48)62(107)91-50(15-12-28-86-74(80)81)65(110)93-52(61(77)106)31-42-17-21-45(103)22-18-42/h17-24,35-40,47-56,58-60,101,103-104H,9-16,25-34H2,1-8H3,(H2,76,105)(H2,77,106)(H,84,88)(H,89,102)(H,90,109)(H,91,107)(H,92,117)(H,93,110)(H,94,112)(H,95,111)(H,96,108)(H,97,115)(H,98,114)(H,99,113)(H,100,116)(H4,78,79,85)(H4,80,81,86)(H4,82,83,87)/t38-,39-,40+,47+,48-,49-,50-,51-,52-,53-,54-,55-,56-,58-,59-,60-/m0/s1
PDB

Reactome pathway
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UniProtKB/SwissProt

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antibodypedia
GoogleScholar
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PC cid
PC sid
UniChem

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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))
BDBM50441969
PNG
(CHEMBL2440188)
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]1CC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O |r,wU:87.88,30.39,8.17,2.2,45.46,61.62,69.70,94.96,90.93,wD:20.28,4.4,53.54,62.64,70.73,76.77,105.107,(16.22,-29.76,;15.45,-28.43,;16.22,-27.09,;17.76,-27.09,;15.45,-25.76,;13.91,-25.76,;13.14,-27.09,;13.91,-28.43,;11.6,-27.09,;10.83,-25.76,;11.6,-24.42,;13.14,-24.42,;13.91,-23.09,;13.14,-21.76,;13.91,-20.42,;11.6,-21.76,;10.83,-23.09,;10.83,-28.43,;9.29,-28.43,;8.52,-27.09,;8.52,-29.76,;9.29,-31.09,;10.83,-31.09,;11.74,-29.84,;13.2,-30.32,;13.2,-31.86,;11.74,-32.34,;6.98,-29.76,;6.21,-31.09,;6.98,-32.43,;4.67,-31.09,;3.9,-29.76,;4.67,-28.43,;3.9,-27.09,;4.67,-25.76,;3.9,-24.42,;2.36,-24.42,;4.67,-23.09,;3.9,-32.43,;2.36,-32.43,;1.59,-33.76,;1.59,-31.09,;16.22,-24.42,;15.45,-23.09,;17.76,-24.42,;18.53,-23.09,;17.76,-21.76,;18.53,-20.42,;20.07,-20.42,;17.76,-19.09,;20.07,-23.09,;20.84,-24.42,;20.84,-21.76,;22.38,-21.76,;23.15,-23.09,;24.69,-23.09,;25.46,-24.42,;25.46,-21.76,;23.15,-20.42,;22.38,-19.09,;24.69,-20.42,;25.46,-19.09,;24.69,-17.76,;25.46,-16.42,;23.15,-17.76,;22.38,-16.42,;27,-19.09,;27.77,-20.42,;27.77,-17.76,;29.31,-17.76,;30.08,-16.42,;31.62,-16.42,;29.31,-15.09,;30.08,-19.09,;29.31,-20.42,;31.62,-19.09,;32.39,-20.42,;31.62,-21.76,;32.39,-23.09,;33.93,-23.09,;34.7,-24.42,;33.93,-25.76,;32.39,-25.76,;34.7,-27.09,;33.93,-20.42,;34.7,-19.09,;34.7,-21.76,;36.24,-21.76,;37.33,-20.67,;38.42,-21.76,;37.33,-22.85,;37.33,-24.39,;36,-25.16,;38.66,-25.16,;39.99,-24.39,;39.99,-22.85,;41.33,-22.07,;41.33,-20.53,;42.67,-19.76,;42.67,-18.22,;41.33,-17.45,;44,-17.45,;41.33,-25.16,;41.33,-26.7,;42.67,-24.39,;44,-25.16,;44,-26.7,;45.33,-27.47,;46.66,-26.7,;48,-27.47,;48,-29.01,;49.34,-29.78,;46.66,-29.78,;45.33,-29.01,;45.33,-24.39,;46.67,-25.16,;45.33,-22.85,)|
Show InChI InChI=1S/C75H119N25O17/c1-9-38(5)58(98-69(114)54(32-43-19-23-46(104)24-20-43)95-66(111)55(33-44-35-84-36-88-44)96-63(108)49(89-41(8)102)14-11-27-85-73(78)79)70(115)97-56(34-57(76)105)67(112)94-53(30-37(3)4)68(113)99-59(39(6)10-2)71(116)100-60(40(7)101)72(117)92-51(16-13-29-87-75(82)83)64(109)90-48-26-25-47(48)62(107)91-50(15-12-28-86-74(80)81)65(110)93-52(61(77)106)31-42-17-21-45(103)22-18-42/h17-24,35-40,47-56,58-60,101,103-104H,9-16,25-34H2,1-8H3,(H2,76,105)(H2,77,106)(H,84,88)(H,89,102)(H,90,109)(H,91,107)(H,92,117)(H,93,110)(H,94,112)(H,95,111)(H,96,108)(H,97,115)(H,98,114)(H,99,113)(H,100,116)(H4,78,79,85)(H4,80,81,86)(H4,82,83,87)/t38-,39-,40+,47+,48-,49-,50-,51-,52-,53-,54-,55-,56-,58-,59-,60-/m0/s1
PDB

Reactome pathway
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UniProtKB/SwissProt

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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 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 5


(Homo sapiens (Human))
BDBM50441969
PNG
(CHEMBL2440188)
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]1CC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O |r,wU:87.88,30.39,8.17,2.2,45.46,61.62,69.70,94.96,90.93,wD:20.28,4.4,53.54,62.64,70.73,76.77,105.107,(16.22,-29.76,;15.45,-28.43,;16.22,-27.09,;17.76,-27.09,;15.45,-25.76,;13.91,-25.76,;13.14,-27.09,;13.91,-28.43,;11.6,-27.09,;10.83,-25.76,;11.6,-24.42,;13.14,-24.42,;13.91,-23.09,;13.14,-21.76,;13.91,-20.42,;11.6,-21.76,;10.83,-23.09,;10.83,-28.43,;9.29,-28.43,;8.52,-27.09,;8.52,-29.76,;9.29,-31.09,;10.83,-31.09,;11.74,-29.84,;13.2,-30.32,;13.2,-31.86,;11.74,-32.34,;6.98,-29.76,;6.21,-31.09,;6.98,-32.43,;4.67,-31.09,;3.9,-29.76,;4.67,-28.43,;3.9,-27.09,;4.67,-25.76,;3.9,-24.42,;2.36,-24.42,;4.67,-23.09,;3.9,-32.43,;2.36,-32.43,;1.59,-33.76,;1.59,-31.09,;16.22,-24.42,;15.45,-23.09,;17.76,-24.42,;18.53,-23.09,;17.76,-21.76,;18.53,-20.42,;20.07,-20.42,;17.76,-19.09,;20.07,-23.09,;20.84,-24.42,;20.84,-21.76,;22.38,-21.76,;23.15,-23.09,;24.69,-23.09,;25.46,-24.42,;25.46,-21.76,;23.15,-20.42,;22.38,-19.09,;24.69,-20.42,;25.46,-19.09,;24.69,-17.76,;25.46,-16.42,;23.15,-17.76,;22.38,-16.42,;27,-19.09,;27.77,-20.42,;27.77,-17.76,;29.31,-17.76,;30.08,-16.42,;31.62,-16.42,;29.31,-15.09,;30.08,-19.09,;29.31,-20.42,;31.62,-19.09,;32.39,-20.42,;31.62,-21.76,;32.39,-23.09,;33.93,-23.09,;34.7,-24.42,;33.93,-25.76,;32.39,-25.76,;34.7,-27.09,;33.93,-20.42,;34.7,-19.09,;34.7,-21.76,;36.24,-21.76,;37.33,-20.67,;38.42,-21.76,;37.33,-22.85,;37.33,-24.39,;36,-25.16,;38.66,-25.16,;39.99,-24.39,;39.99,-22.85,;41.33,-22.07,;41.33,-20.53,;42.67,-19.76,;42.67,-18.22,;41.33,-17.45,;44,-17.45,;41.33,-25.16,;41.33,-26.7,;42.67,-24.39,;44,-25.16,;44,-26.7,;45.33,-27.47,;46.66,-26.7,;48,-27.47,;48,-29.01,;49.34,-29.78,;46.66,-29.78,;45.33,-29.01,;45.33,-24.39,;46.67,-25.16,;45.33,-22.85,)|
Show InChI InChI=1S/C75H119N25O17/c1-9-38(5)58(98-69(114)54(32-43-19-23-46(104)24-20-43)95-66(111)55(33-44-35-84-36-88-44)96-63(108)49(89-41(8)102)14-11-27-85-73(78)79)70(115)97-56(34-57(76)105)67(112)94-53(30-37(3)4)68(113)99-59(39(6)10-2)71(116)100-60(40(7)101)72(117)92-51(16-13-29-87-75(82)83)64(109)90-48-26-25-47(48)62(107)91-50(15-12-28-86-74(80)81)65(110)93-52(61(77)106)31-42-17-21-45(103)22-18-42/h17-24,35-40,47-56,58-60,101,103-104H,9-16,25-34H2,1-8H3,(H2,76,105)(H2,77,106)(H,84,88)(H,89,102)(H,90,109)(H,91,107)(H,92,117)(H,93,110)(H,94,112)(H,95,111)(H,96,108)(H,97,115)(H,98,114)(H,99,113)(H,100,116)(H4,78,79,85)(H4,80,81,86)(H4,82,83,87)/t38-,39-,40+,47+,48-,49-,50-,51-,52-,53-,54-,55-,56-,58-,59-,60-/m0/s1
KEGG

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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 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))
BDBM50441969
PNG
(CHEMBL2440188)
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]1CC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O |r,wU:87.88,30.39,8.17,2.2,45.46,61.62,69.70,94.96,90.93,wD:20.28,4.4,53.54,62.64,70.73,76.77,105.107,(16.22,-29.76,;15.45,-28.43,;16.22,-27.09,;17.76,-27.09,;15.45,-25.76,;13.91,-25.76,;13.14,-27.09,;13.91,-28.43,;11.6,-27.09,;10.83,-25.76,;11.6,-24.42,;13.14,-24.42,;13.91,-23.09,;13.14,-21.76,;13.91,-20.42,;11.6,-21.76,;10.83,-23.09,;10.83,-28.43,;9.29,-28.43,;8.52,-27.09,;8.52,-29.76,;9.29,-31.09,;10.83,-31.09,;11.74,-29.84,;13.2,-30.32,;13.2,-31.86,;11.74,-32.34,;6.98,-29.76,;6.21,-31.09,;6.98,-32.43,;4.67,-31.09,;3.9,-29.76,;4.67,-28.43,;3.9,-27.09,;4.67,-25.76,;3.9,-24.42,;2.36,-24.42,;4.67,-23.09,;3.9,-32.43,;2.36,-32.43,;1.59,-33.76,;1.59,-31.09,;16.22,-24.42,;15.45,-23.09,;17.76,-24.42,;18.53,-23.09,;17.76,-21.76,;18.53,-20.42,;20.07,-20.42,;17.76,-19.09,;20.07,-23.09,;20.84,-24.42,;20.84,-21.76,;22.38,-21.76,;23.15,-23.09,;24.69,-23.09,;25.46,-24.42,;25.46,-21.76,;23.15,-20.42,;22.38,-19.09,;24.69,-20.42,;25.46,-19.09,;24.69,-17.76,;25.46,-16.42,;23.15,-17.76,;22.38,-16.42,;27,-19.09,;27.77,-20.42,;27.77,-17.76,;29.31,-17.76,;30.08,-16.42,;31.62,-16.42,;29.31,-15.09,;30.08,-19.09,;29.31,-20.42,;31.62,-19.09,;32.39,-20.42,;31.62,-21.76,;32.39,-23.09,;33.93,-23.09,;34.7,-24.42,;33.93,-25.76,;32.39,-25.76,;34.7,-27.09,;33.93,-20.42,;34.7,-19.09,;34.7,-21.76,;36.24,-21.76,;37.33,-20.67,;38.42,-21.76,;37.33,-22.85,;37.33,-24.39,;36,-25.16,;38.66,-25.16,;39.99,-24.39,;39.99,-22.85,;41.33,-22.07,;41.33,-20.53,;42.67,-19.76,;42.67,-18.22,;41.33,-17.45,;44,-17.45,;41.33,-25.16,;41.33,-26.7,;42.67,-24.39,;44,-25.16,;44,-26.7,;45.33,-27.47,;46.66,-26.7,;48,-27.47,;48,-29.01,;49.34,-29.78,;46.66,-29.78,;45.33,-29.01,;45.33,-24.39,;46.67,-25.16,;45.33,-22.85,)|
Show InChI InChI=1S/C75H119N25O17/c1-9-38(5)58(98-69(114)54(32-43-19-23-46(104)24-20-43)95-66(111)55(33-44-35-84-36-88-44)96-63(108)49(89-41(8)102)14-11-27-85-73(78)79)70(115)97-56(34-57(76)105)67(112)94-53(30-37(3)4)68(113)99-59(39(6)10-2)71(116)100-60(40(7)101)72(117)92-51(16-13-29-87-75(82)83)64(109)90-48-26-25-47(48)62(107)91-50(15-12-28-86-74(80)81)65(110)93-52(61(77)106)31-42-17-21-45(103)22-18-42/h17-24,35-40,47-56,58-60,101,103-104H,9-16,25-34H2,1-8H3,(H2,76,105)(H2,77,106)(H,84,88)(H,89,102)(H,90,109)(H,91,107)(H,92,117)(H,93,110)(H,94,112)(H,95,111)(H,96,108)(H,97,115)(H,98,114)(H,99,113)(H,100,116)(H4,78,79,85)(H4,80,81,86)(H4,82,83,87)/t38-,39-,40+,47+,48-,49-,50-,51-,52-,53-,54-,55-,56-,58-,59-,60-/m0/s1
PDB

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PubMed
n/an/an/an/a 122n/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