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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 4022.3
BDBM50466559

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

Found 8 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 2


(Homo sapiens (Human))
BDBM50466559
PNG
(CHEMBL4281120)
Show SMILES CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O |r|
Show InChI InChI=1S/C178H274N52O55/c1-17-89(12)139(183)168(278)210-111(26-18-19-59-179)172(282)229-64-24-31-128(229)166(276)207-108(51-56-135(244)245)144(254)201-92(15)171(281)228-63-23-30-127(228)165(275)196-80-133(241)202-106(50-55-134(242)243)148(258)221-122(77-138(250)251)153(263)200-91(14)143(253)225-126(82-232)173(283)230-65-25-32-129(230)167(277)208-110(53-58-137(248)249)149(259)206-109(52-57-136(246)247)150(260)211-113(67-85(4)5)155(265)219-120(75-131(181)239)160(270)204-103(27-20-60-193-175(184)185)146(256)215-117(71-95-35-43-100(235)44-36-95)158(268)216-116(70-94-33-41-99(234)42-34-94)152(262)199-90(13)142(252)224-125(81-231)164(274)214-112(66-84(2)3)154(264)203-104(28-21-61-194-176(186)187)147(257)218-119(74-98-78-192-83-198-98)159(269)217-118(72-96-37-45-101(236)46-38-96)157(267)212-114(68-86(6)7)156(266)220-121(76-132(182)240)161(271)213-115(69-87(8)9)162(272)226-140(88(10)11)169(279)227-141(93(16)233)170(280)209-105(29-22-62-195-177(188)189)145(255)205-107(49-54-130(180)238)151(261)223-124(79-197-178(190)191)163(273)222-123(174(284)285)73-97-39-47-102(237)48-40-97/h33-48,78,83-93,103-129,139-141,231-237H,17-32,49-77,79-82,179,183H2,1-16H3,(H2,180,238)(H2,181,239)(H2,182,240)(H,192,198)(H,196,275)(H,199,262)(H,200,263)(H,201,254)(H,202,241)(H,203,264)(H,204,270)(H,205,255)(H,206,259)(H,207,276)(H,208,277)(H,209,280)(H,210,278)(H,211,260)(H,212,267)(H,213,271)(H,214,274)(H,215,256)(H,216,268)(H,217,269)(H,218,257)(H,219,265)(H,220,266)(H,221,258)(H,222,273)(H,223,261)(H,224,252)(H,225,253)(H,226,272)(H,227,279)(H,242,243)(H,244,245)(H,246,247)(H,248,249)(H,250,251)(H,284,285)(H4,184,185,193)(H4,186,187,194)(H4,188,189,195)(H4,190,191,197)/t89-,90-,91-,92-,93+,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,139-,140-,141-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
250n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [125I]-PYY(1 to 36 residues) from human Y2R expressed in CHO cell membranes after 2 hrs by scintillation proximity assay


J Med Chem 61: 10519-10530 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01046
BindingDB Entry DOI: 10.7270/Q2ZC85JC
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 2


(Homo sapiens (Human))
BDBM50466559
PNG
(CHEMBL4281120)
Show SMILES CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O |r|
Show InChI InChI=1S/C178H274N52O55/c1-17-89(12)139(183)168(278)210-111(26-18-19-59-179)172(282)229-64-24-31-128(229)166(276)207-108(51-56-135(244)245)144(254)201-92(15)171(281)228-63-23-30-127(228)165(275)196-80-133(241)202-106(50-55-134(242)243)148(258)221-122(77-138(250)251)153(263)200-91(14)143(253)225-126(82-232)173(283)230-65-25-32-129(230)167(277)208-110(53-58-137(248)249)149(259)206-109(52-57-136(246)247)150(260)211-113(67-85(4)5)155(265)219-120(75-131(181)239)160(270)204-103(27-20-60-193-175(184)185)146(256)215-117(71-95-35-43-100(235)44-36-95)158(268)216-116(70-94-33-41-99(234)42-34-94)152(262)199-90(13)142(252)224-125(81-231)164(274)214-112(66-84(2)3)154(264)203-104(28-21-61-194-176(186)187)147(257)218-119(74-98-78-192-83-198-98)159(269)217-118(72-96-37-45-101(236)46-38-96)157(267)212-114(68-86(6)7)156(266)220-121(76-132(182)240)161(271)213-115(69-87(8)9)162(272)226-140(88(10)11)169(279)227-141(93(16)233)170(280)209-105(29-22-62-195-177(188)189)145(255)205-107(49-54-130(180)238)151(261)223-124(79-197-178(190)191)163(273)222-123(174(284)285)73-97-39-47-102(237)48-40-97/h33-48,78,83-93,103-129,139-141,231-237H,17-32,49-77,79-82,179,183H2,1-16H3,(H2,180,238)(H2,181,239)(H2,182,240)(H,192,198)(H,196,275)(H,199,262)(H,200,263)(H,201,254)(H,202,241)(H,203,264)(H,204,270)(H,205,255)(H,206,259)(H,207,276)(H,208,277)(H,209,280)(H,210,278)(H,211,260)(H,212,267)(H,213,271)(H,214,274)(H,215,256)(H,216,268)(H,217,269)(H,218,257)(H,219,265)(H,220,266)(H,221,258)(H,222,273)(H,223,261)(H,224,252)(H,225,253)(H,226,272)(H,227,279)(H,242,243)(H,244,245)(H,246,247)(H,248,249)(H,250,251)(H,284,285)(H4,184,185,193)(H4,186,187,194)(H4,188,189,195)(H4,190,191,197)/t89-,90-,91-,92-,93+,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,139-,140-,141-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
251n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [125I]-PYY(1 to 36 residues) from human Y2R expressed in CHO cell membranes after 2 hrs by scintillation proximity assay


J Med Chem 61: 10519-10530 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01046
BindingDB Entry DOI: 10.7270/Q2ZC85JC
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 4


(Homo sapiens (Human))
BDBM50466559
PNG
(CHEMBL4281120)
Show SMILES CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O |r|
Show InChI InChI=1S/C178H274N52O55/c1-17-89(12)139(183)168(278)210-111(26-18-19-59-179)172(282)229-64-24-31-128(229)166(276)207-108(51-56-135(244)245)144(254)201-92(15)171(281)228-63-23-30-127(228)165(275)196-80-133(241)202-106(50-55-134(242)243)148(258)221-122(77-138(250)251)153(263)200-91(14)143(253)225-126(82-232)173(283)230-65-25-32-129(230)167(277)208-110(53-58-137(248)249)149(259)206-109(52-57-136(246)247)150(260)211-113(67-85(4)5)155(265)219-120(75-131(181)239)160(270)204-103(27-20-60-193-175(184)185)146(256)215-117(71-95-35-43-100(235)44-36-95)158(268)216-116(70-94-33-41-99(234)42-34-94)152(262)199-90(13)142(252)224-125(81-231)164(274)214-112(66-84(2)3)154(264)203-104(28-21-61-194-176(186)187)147(257)218-119(74-98-78-192-83-198-98)159(269)217-118(72-96-37-45-101(236)46-38-96)157(267)212-114(68-86(6)7)156(266)220-121(76-132(182)240)161(271)213-115(69-87(8)9)162(272)226-140(88(10)11)169(279)227-141(93(16)233)170(280)209-105(29-22-62-195-177(188)189)145(255)205-107(49-54-130(180)238)151(261)223-124(79-197-178(190)191)163(273)222-123(174(284)285)73-97-39-47-102(237)48-40-97/h33-48,78,83-93,103-129,139-141,231-237H,17-32,49-77,79-82,179,183H2,1-16H3,(H2,180,238)(H2,181,239)(H2,182,240)(H,192,198)(H,196,275)(H,199,262)(H,200,263)(H,201,254)(H,202,241)(H,203,264)(H,204,270)(H,205,255)(H,206,259)(H,207,276)(H,208,277)(H,209,280)(H,210,278)(H,211,260)(H,212,267)(H,213,271)(H,214,274)(H,215,256)(H,216,268)(H,217,269)(H,218,257)(H,219,265)(H,220,266)(H,221,258)(H,222,273)(H,223,261)(H,224,252)(H,225,253)(H,226,272)(H,227,279)(H,242,243)(H,244,245)(H,246,247)(H,248,249)(H,250,251)(H,284,285)(H4,184,185,193)(H4,186,187,194)(H4,188,189,195)(H4,190,191,197)/t89-,90-,91-,92-,93+,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,139-,140-,141-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
1.00E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [125I]-PP from human Y4R expressed in CHO-K1 cell membranes after 2 hrs by scintillation proximity assay


J Med Chem 61: 10519-10530 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01046
BindingDB Entry DOI: 10.7270/Q2ZC85JC
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Homo sapiens (Human))
BDBM50466559
PNG
(CHEMBL4281120)
Show SMILES CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O |r|
Show InChI InChI=1S/C178H274N52O55/c1-17-89(12)139(183)168(278)210-111(26-18-19-59-179)172(282)229-64-24-31-128(229)166(276)207-108(51-56-135(244)245)144(254)201-92(15)171(281)228-63-23-30-127(228)165(275)196-80-133(241)202-106(50-55-134(242)243)148(258)221-122(77-138(250)251)153(263)200-91(14)143(253)225-126(82-232)173(283)230-65-25-32-129(230)167(277)208-110(53-58-137(248)249)149(259)206-109(52-57-136(246)247)150(260)211-113(67-85(4)5)155(265)219-120(75-131(181)239)160(270)204-103(27-20-60-193-175(184)185)146(256)215-117(71-95-35-43-100(235)44-36-95)158(268)216-116(70-94-33-41-99(234)42-34-94)152(262)199-90(13)142(252)224-125(81-231)164(274)214-112(66-84(2)3)154(264)203-104(28-21-61-194-176(186)187)147(257)218-119(74-98-78-192-83-198-98)159(269)217-118(72-96-37-45-101(236)46-38-96)157(267)212-114(68-86(6)7)156(266)220-121(76-132(182)240)161(271)213-115(69-87(8)9)162(272)226-140(88(10)11)169(279)227-141(93(16)233)170(280)209-105(29-22-62-195-177(188)189)145(255)205-107(49-54-130(180)238)151(261)223-124(79-197-178(190)191)163(273)222-123(174(284)285)73-97-39-47-102(237)48-40-97/h33-48,78,83-93,103-129,139-141,231-237H,17-32,49-77,79-82,179,183H2,1-16H3,(H2,180,238)(H2,181,239)(H2,182,240)(H,192,198)(H,196,275)(H,199,262)(H,200,263)(H,201,254)(H,202,241)(H,203,264)(H,204,270)(H,205,255)(H,206,259)(H,207,276)(H,208,277)(H,209,280)(H,210,278)(H,211,260)(H,212,267)(H,213,271)(H,214,274)(H,215,256)(H,216,268)(H,217,269)(H,218,257)(H,219,265)(H,220,266)(H,221,258)(H,222,273)(H,223,261)(H,224,252)(H,225,253)(H,226,272)(H,227,279)(H,242,243)(H,244,245)(H,246,247)(H,248,249)(H,250,251)(H,284,285)(H4,184,185,193)(H4,186,187,194)(H4,188,189,195)(H4,190,191,197)/t89-,90-,91-,92-,93+,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,139-,140-,141-/m0/s1
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
1.00E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [125I]-PYY(1 to 36 residues) from human Y5R expressed in HEK293 cell membranes after 2 hrs by scintillation proximity assay


J Med Chem 61: 10519-10530 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01046
BindingDB Entry DOI: 10.7270/Q2ZC85JC
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Homo sapiens (Human))
BDBM50466559
PNG
(CHEMBL4281120)
Show SMILES CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O |r|
Show InChI InChI=1S/C178H274N52O55/c1-17-89(12)139(183)168(278)210-111(26-18-19-59-179)172(282)229-64-24-31-128(229)166(276)207-108(51-56-135(244)245)144(254)201-92(15)171(281)228-63-23-30-127(228)165(275)196-80-133(241)202-106(50-55-134(242)243)148(258)221-122(77-138(250)251)153(263)200-91(14)143(253)225-126(82-232)173(283)230-65-25-32-129(230)167(277)208-110(53-58-137(248)249)149(259)206-109(52-57-136(246)247)150(260)211-113(67-85(4)5)155(265)219-120(75-131(181)239)160(270)204-103(27-20-60-193-175(184)185)146(256)215-117(71-95-35-43-100(235)44-36-95)158(268)216-116(70-94-33-41-99(234)42-34-94)152(262)199-90(13)142(252)224-125(81-231)164(274)214-112(66-84(2)3)154(264)203-104(28-21-61-194-176(186)187)147(257)218-119(74-98-78-192-83-198-98)159(269)217-118(72-96-37-45-101(236)46-38-96)157(267)212-114(68-86(6)7)156(266)220-121(76-132(182)240)161(271)213-115(69-87(8)9)162(272)226-140(88(10)11)169(279)227-141(93(16)233)170(280)209-105(29-22-62-195-177(188)189)145(255)205-107(49-54-130(180)238)151(261)223-124(79-197-178(190)191)163(273)222-123(174(284)285)73-97-39-47-102(237)48-40-97/h33-48,78,83-93,103-129,139-141,231-237H,17-32,49-77,79-82,179,183H2,1-16H3,(H2,180,238)(H2,181,239)(H2,182,240)(H,192,198)(H,196,275)(H,199,262)(H,200,263)(H,201,254)(H,202,241)(H,203,264)(H,204,270)(H,205,255)(H,206,259)(H,207,276)(H,208,277)(H,209,280)(H,210,278)(H,211,260)(H,212,267)(H,213,271)(H,214,274)(H,215,256)(H,216,268)(H,217,269)(H,218,257)(H,219,265)(H,220,266)(H,221,258)(H,222,273)(H,223,261)(H,224,252)(H,225,253)(H,226,272)(H,227,279)(H,242,243)(H,244,245)(H,246,247)(H,248,249)(H,250,251)(H,284,285)(H4,184,185,193)(H4,186,187,194)(H4,188,189,195)(H4,190,191,197)/t89-,90-,91-,92-,93+,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,139-,140-,141-/m0/s1
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
1.00E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [125I]-PYY(1 to 36 residues) from human Y5R expressed in HEK293 cell membranes after 2 hrs by scintillation proximity assay


J Med Chem 61: 10519-10530 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01046
BindingDB Entry DOI: 10.7270/Q2ZC85JC
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 4


(Homo sapiens (Human))
BDBM50466559
PNG
(CHEMBL4281120)
Show SMILES CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O |r|
Show InChI InChI=1S/C178H274N52O55/c1-17-89(12)139(183)168(278)210-111(26-18-19-59-179)172(282)229-64-24-31-128(229)166(276)207-108(51-56-135(244)245)144(254)201-92(15)171(281)228-63-23-30-127(228)165(275)196-80-133(241)202-106(50-55-134(242)243)148(258)221-122(77-138(250)251)153(263)200-91(14)143(253)225-126(82-232)173(283)230-65-25-32-129(230)167(277)208-110(53-58-137(248)249)149(259)206-109(52-57-136(246)247)150(260)211-113(67-85(4)5)155(265)219-120(75-131(181)239)160(270)204-103(27-20-60-193-175(184)185)146(256)215-117(71-95-35-43-100(235)44-36-95)158(268)216-116(70-94-33-41-99(234)42-34-94)152(262)199-90(13)142(252)224-125(81-231)164(274)214-112(66-84(2)3)154(264)203-104(28-21-61-194-176(186)187)147(257)218-119(74-98-78-192-83-198-98)159(269)217-118(72-96-37-45-101(236)46-38-96)157(267)212-114(68-86(6)7)156(266)220-121(76-132(182)240)161(271)213-115(69-87(8)9)162(272)226-140(88(10)11)169(279)227-141(93(16)233)170(280)209-105(29-22-62-195-177(188)189)145(255)205-107(49-54-130(180)238)151(261)223-124(79-197-178(190)191)163(273)222-123(174(284)285)73-97-39-47-102(237)48-40-97/h33-48,78,83-93,103-129,139-141,231-237H,17-32,49-77,79-82,179,183H2,1-16H3,(H2,180,238)(H2,181,239)(H2,182,240)(H,192,198)(H,196,275)(H,199,262)(H,200,263)(H,201,254)(H,202,241)(H,203,264)(H,204,270)(H,205,255)(H,206,259)(H,207,276)(H,208,277)(H,209,280)(H,210,278)(H,211,260)(H,212,267)(H,213,271)(H,214,274)(H,215,256)(H,216,268)(H,217,269)(H,218,257)(H,219,265)(H,220,266)(H,221,258)(H,222,273)(H,223,261)(H,224,252)(H,225,253)(H,226,272)(H,227,279)(H,242,243)(H,244,245)(H,246,247)(H,248,249)(H,250,251)(H,284,285)(H4,184,185,193)(H4,186,187,194)(H4,188,189,195)(H4,190,191,197)/t89-,90-,91-,92-,93+,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,139-,140-,141-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
1.00E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [125I]-PP from human Y4R expressed in CHO-K1 cell membranes after 2 hrs by scintillation proximity assay


J Med Chem 61: 10519-10530 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01046
BindingDB Entry DOI: 10.7270/Q2ZC85JC
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(Homo sapiens (Human))
BDBM50466559
PNG
(CHEMBL4281120)
Show SMILES CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O |r|
Show InChI InChI=1S/C178H274N52O55/c1-17-89(12)139(183)168(278)210-111(26-18-19-59-179)172(282)229-64-24-31-128(229)166(276)207-108(51-56-135(244)245)144(254)201-92(15)171(281)228-63-23-30-127(228)165(275)196-80-133(241)202-106(50-55-134(242)243)148(258)221-122(77-138(250)251)153(263)200-91(14)143(253)225-126(82-232)173(283)230-65-25-32-129(230)167(277)208-110(53-58-137(248)249)149(259)206-109(52-57-136(246)247)150(260)211-113(67-85(4)5)155(265)219-120(75-131(181)239)160(270)204-103(27-20-60-193-175(184)185)146(256)215-117(71-95-35-43-100(235)44-36-95)158(268)216-116(70-94-33-41-99(234)42-34-94)152(262)199-90(13)142(252)224-125(81-231)164(274)214-112(66-84(2)3)154(264)203-104(28-21-61-194-176(186)187)147(257)218-119(74-98-78-192-83-198-98)159(269)217-118(72-96-37-45-101(236)46-38-96)157(267)212-114(68-86(6)7)156(266)220-121(76-132(182)240)161(271)213-115(69-87(8)9)162(272)226-140(88(10)11)169(279)227-141(93(16)233)170(280)209-105(29-22-62-195-177(188)189)145(255)205-107(49-54-130(180)238)151(261)223-124(79-197-178(190)191)163(273)222-123(174(284)285)73-97-39-47-102(237)48-40-97/h33-48,78,83-93,103-129,139-141,231-237H,17-32,49-77,79-82,179,183H2,1-16H3,(H2,180,238)(H2,181,239)(H2,182,240)(H,192,198)(H,196,275)(H,199,262)(H,200,263)(H,201,254)(H,202,241)(H,203,264)(H,204,270)(H,205,255)(H,206,259)(H,207,276)(H,208,277)(H,209,280)(H,210,278)(H,211,260)(H,212,267)(H,213,271)(H,214,274)(H,215,256)(H,216,268)(H,217,269)(H,218,257)(H,219,265)(H,220,266)(H,221,258)(H,222,273)(H,223,261)(H,224,252)(H,225,253)(H,226,272)(H,227,279)(H,242,243)(H,244,245)(H,246,247)(H,248,249)(H,250,251)(H,284,285)(H4,184,185,193)(H4,186,187,194)(H4,188,189,195)(H4,190,191,197)/t89-,90-,91-,92-,93+,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,139-,140-,141-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
1.00E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [125I]-PYY(1 to 36 residues) from human Y1R expressed in BHK-21 cell membranes after 2 hrs by scintillation proximity assay


J Med Chem 61: 10519-10530 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01046
BindingDB Entry DOI: 10.7270/Q2ZC85JC
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(Homo sapiens (Human))
BDBM50466559
PNG
(CHEMBL4281120)
Show SMILES CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O |r|
Show InChI InChI=1S/C178H274N52O55/c1-17-89(12)139(183)168(278)210-111(26-18-19-59-179)172(282)229-64-24-31-128(229)166(276)207-108(51-56-135(244)245)144(254)201-92(15)171(281)228-63-23-30-127(228)165(275)196-80-133(241)202-106(50-55-134(242)243)148(258)221-122(77-138(250)251)153(263)200-91(14)143(253)225-126(82-232)173(283)230-65-25-32-129(230)167(277)208-110(53-58-137(248)249)149(259)206-109(52-57-136(246)247)150(260)211-113(67-85(4)5)155(265)219-120(75-131(181)239)160(270)204-103(27-20-60-193-175(184)185)146(256)215-117(71-95-35-43-100(235)44-36-95)158(268)216-116(70-94-33-41-99(234)42-34-94)152(262)199-90(13)142(252)224-125(81-231)164(274)214-112(66-84(2)3)154(264)203-104(28-21-61-194-176(186)187)147(257)218-119(74-98-78-192-83-198-98)159(269)217-118(72-96-37-45-101(236)46-38-96)157(267)212-114(68-86(6)7)156(266)220-121(76-132(182)240)161(271)213-115(69-87(8)9)162(272)226-140(88(10)11)169(279)227-141(93(16)233)170(280)209-105(29-22-62-195-177(188)189)145(255)205-107(49-54-130(180)238)151(261)223-124(79-197-178(190)191)163(273)222-123(174(284)285)73-97-39-47-102(237)48-40-97/h33-48,78,83-93,103-129,139-141,231-237H,17-32,49-77,79-82,179,183H2,1-16H3,(H2,180,238)(H2,181,239)(H2,182,240)(H,192,198)(H,196,275)(H,199,262)(H,200,263)(H,201,254)(H,202,241)(H,203,264)(H,204,270)(H,205,255)(H,206,259)(H,207,276)(H,208,277)(H,209,280)(H,210,278)(H,211,260)(H,212,267)(H,213,271)(H,214,274)(H,215,256)(H,216,268)(H,217,269)(H,218,257)(H,219,265)(H,220,266)(H,221,258)(H,222,273)(H,223,261)(H,224,252)(H,225,253)(H,226,272)(H,227,279)(H,242,243)(H,244,245)(H,246,247)(H,248,249)(H,250,251)(H,284,285)(H4,184,185,193)(H4,186,187,194)(H4,188,189,195)(H4,190,191,197)/t89-,90-,91-,92-,93+,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,139-,140-,141-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
1.00E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [125I]-PYY(1 to 36 residues) from human Y1R expressed in BHK-21 cell membranes after 2 hrs by scintillation proximity assay


J Med Chem 61: 10519-10530 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01046
BindingDB Entry DOI: 10.7270/Q2ZC85JC
More data for this
Ligand-Target Pair