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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 4064.4
BDBM50466537

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 4


(Homo sapiens (Human))
BDBM50466537
PNG
(CHEMBL4293564)
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)[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](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O |r|
Show InChI InChI=1S/C181H280N52O55/c1-18-92(12)142(186)171(281)214-115(28-19-20-62-182)174(284)232-68-26-34-131(232)169(279)211-112(54-59-138(247)248)147(257)204-95(15)173(283)231-67-25-33-130(231)168(278)200-83-136(244)205-110(53-58-137(245)246)152(262)225-126(81-141(253)254)157(267)203-94(14)146(256)228-129(85-235)175(285)233-69-27-35-132(233)170(280)212-114(56-61-140(251)252)154(264)210-113(55-60-139(249)250)155(265)215-117(71-88(4)5)159(269)223-124(79-134(184)242)164(274)208-106(29-21-63-196-178(187)188)149(259)219-121(75-98-38-46-103(238)47-39-98)162(272)220-120(74-97-36-44-102(237)45-37-97)156(266)202-93(13)145(255)227-128(84-234)167(277)218-116(70-87(2)3)158(268)207-107(30-22-64-197-179(189)190)150(260)222-123(78-101-82-195-86-201-101)163(273)221-122(76-99-40-48-104(239)49-41-99)161(271)216-118(72-89(6)7)160(270)224-125(80-135(185)243)165(275)217-119(73-90(8)9)166(276)229-143(91(10)11)176(286)230(17)144(96(16)236)172(282)213-109(32-24-66-199-181(193)194)148(258)209-111(52-57-133(183)241)153(263)206-108(31-23-65-198-180(191)192)151(261)226-127(177(287)288)77-100-42-50-105(240)51-43-100/h36-51,82,86-96,106-132,142-144,234-240H,18-35,52-81,83-85,182,186H2,1-17H3,(H2,183,241)(H2,184,242)(H2,185,243)(H,195,201)(H,200,278)(H,202,266)(H,203,267)(H,204,257)(H,205,244)(H,206,263)(H,207,268)(H,208,274)(H,209,258)(H,210,264)(H,211,279)(H,212,280)(H,213,282)(H,214,281)(H,215,265)(H,216,271)(H,217,275)(H,218,277)(H,219,259)(H,220,272)(H,221,273)(H,222,260)(H,223,269)(H,224,270)(H,225,262)(H,226,261)(H,227,255)(H,228,256)(H,229,276)(H,245,246)(H,247,248)(H,249,250)(H,251,252)(H,253,254)(H,287,288)(H4,187,188,196)(H4,189,190,197)(H4,191,192,198)(H4,193,194,199)/t92-,93-,94-,95-,96+,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,142-,143-,144-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
1.59E+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 4


(Homo sapiens (Human))
BDBM50466537
PNG
(CHEMBL4293564)
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)[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](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O |r|
Show InChI InChI=1S/C181H280N52O55/c1-18-92(12)142(186)171(281)214-115(28-19-20-62-182)174(284)232-68-26-34-131(232)169(279)211-112(54-59-138(247)248)147(257)204-95(15)173(283)231-67-25-33-130(231)168(278)200-83-136(244)205-110(53-58-137(245)246)152(262)225-126(81-141(253)254)157(267)203-94(14)146(256)228-129(85-235)175(285)233-69-27-35-132(233)170(280)212-114(56-61-140(251)252)154(264)210-113(55-60-139(249)250)155(265)215-117(71-88(4)5)159(269)223-124(79-134(184)242)164(274)208-106(29-21-63-196-178(187)188)149(259)219-121(75-98-38-46-103(238)47-39-98)162(272)220-120(74-97-36-44-102(237)45-37-97)156(266)202-93(13)145(255)227-128(84-234)167(277)218-116(70-87(2)3)158(268)207-107(30-22-64-197-179(189)190)150(260)222-123(78-101-82-195-86-201-101)163(273)221-122(76-99-40-48-104(239)49-41-99)161(271)216-118(72-89(6)7)160(270)224-125(80-135(185)243)165(275)217-119(73-90(8)9)166(276)229-143(91(10)11)176(286)230(17)144(96(16)236)172(282)213-109(32-24-66-199-181(193)194)148(258)209-111(52-57-133(183)241)153(263)206-108(31-23-65-198-180(191)192)151(261)226-127(177(287)288)77-100-42-50-105(240)51-43-100/h36-51,82,86-96,106-132,142-144,234-240H,18-35,52-81,83-85,182,186H2,1-17H3,(H2,183,241)(H2,184,242)(H2,185,243)(H,195,201)(H,200,278)(H,202,266)(H,203,267)(H,204,257)(H,205,244)(H,206,263)(H,207,268)(H,208,274)(H,209,258)(H,210,264)(H,211,279)(H,212,280)(H,213,282)(H,214,281)(H,215,265)(H,216,271)(H,217,275)(H,218,277)(H,219,259)(H,220,272)(H,221,273)(H,222,260)(H,223,269)(H,224,270)(H,225,262)(H,226,261)(H,227,255)(H,228,256)(H,229,276)(H,245,246)(H,247,248)(H,249,250)(H,251,252)(H,253,254)(H,287,288)(H4,187,188,196)(H4,189,190,197)(H4,191,192,198)(H4,193,194,199)/t92-,93-,94-,95-,96+,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,142-,143-,144-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
1.60E+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 2


(Homo sapiens (Human))
BDBM50466537
PNG
(CHEMBL4293564)
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)[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](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O |r|
Show InChI InChI=1S/C181H280N52O55/c1-18-92(12)142(186)171(281)214-115(28-19-20-62-182)174(284)232-68-26-34-131(232)169(279)211-112(54-59-138(247)248)147(257)204-95(15)173(283)231-67-25-33-130(231)168(278)200-83-136(244)205-110(53-58-137(245)246)152(262)225-126(81-141(253)254)157(267)203-94(14)146(256)228-129(85-235)175(285)233-69-27-35-132(233)170(280)212-114(56-61-140(251)252)154(264)210-113(55-60-139(249)250)155(265)215-117(71-88(4)5)159(269)223-124(79-134(184)242)164(274)208-106(29-21-63-196-178(187)188)149(259)219-121(75-98-38-46-103(238)47-39-98)162(272)220-120(74-97-36-44-102(237)45-37-97)156(266)202-93(13)145(255)227-128(84-234)167(277)218-116(70-87(2)3)158(268)207-107(30-22-64-197-179(189)190)150(260)222-123(78-101-82-195-86-201-101)163(273)221-122(76-99-40-48-104(239)49-41-99)161(271)216-118(72-89(6)7)160(270)224-125(80-135(185)243)165(275)217-119(73-90(8)9)166(276)229-143(91(10)11)176(286)230(17)144(96(16)236)172(282)213-109(32-24-66-199-181(193)194)148(258)209-111(52-57-133(183)241)153(263)206-108(31-23-65-198-180(191)192)151(261)226-127(177(287)288)77-100-42-50-105(240)51-43-100/h36-51,82,86-96,106-132,142-144,234-240H,18-35,52-81,83-85,182,186H2,1-17H3,(H2,183,241)(H2,184,242)(H2,185,243)(H,195,201)(H,200,278)(H,202,266)(H,203,267)(H,204,257)(H,205,244)(H,206,263)(H,207,268)(H,208,274)(H,209,258)(H,210,264)(H,211,279)(H,212,280)(H,213,282)(H,214,281)(H,215,265)(H,216,271)(H,217,275)(H,218,277)(H,219,259)(H,220,272)(H,221,273)(H,222,260)(H,223,269)(H,224,270)(H,225,262)(H,226,261)(H,227,255)(H,228,256)(H,229,276)(H,245,246)(H,247,248)(H,249,250)(H,251,252)(H,253,254)(H,287,288)(H4,187,188,196)(H4,189,190,197)(H4,191,192,198)(H4,193,194,199)/t92-,93-,94-,95-,96+,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,142-,143-,144-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
2.00E+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 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))
BDBM50466537
PNG
(CHEMBL4293564)
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)[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](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O |r|
Show InChI InChI=1S/C181H280N52O55/c1-18-92(12)142(186)171(281)214-115(28-19-20-62-182)174(284)232-68-26-34-131(232)169(279)211-112(54-59-138(247)248)147(257)204-95(15)173(283)231-67-25-33-130(231)168(278)200-83-136(244)205-110(53-58-137(245)246)152(262)225-126(81-141(253)254)157(267)203-94(14)146(256)228-129(85-235)175(285)233-69-27-35-132(233)170(280)212-114(56-61-140(251)252)154(264)210-113(55-60-139(249)250)155(265)215-117(71-88(4)5)159(269)223-124(79-134(184)242)164(274)208-106(29-21-63-196-178(187)188)149(259)219-121(75-98-38-46-103(238)47-39-98)162(272)220-120(74-97-36-44-102(237)45-37-97)156(266)202-93(13)145(255)227-128(84-234)167(277)218-116(70-87(2)3)158(268)207-107(30-22-64-197-179(189)190)150(260)222-123(78-101-82-195-86-201-101)163(273)221-122(76-99-40-48-104(239)49-41-99)161(271)216-118(72-89(6)7)160(270)224-125(80-135(185)243)165(275)217-119(73-90(8)9)166(276)229-143(91(10)11)176(286)230(17)144(96(16)236)172(282)213-109(32-24-66-199-181(193)194)148(258)209-111(52-57-133(183)241)153(263)206-108(31-23-65-198-180(191)192)151(261)226-127(177(287)288)77-100-42-50-105(240)51-43-100/h36-51,82,86-96,106-132,142-144,234-240H,18-35,52-81,83-85,182,186H2,1-17H3,(H2,183,241)(H2,184,242)(H2,185,243)(H,195,201)(H,200,278)(H,202,266)(H,203,267)(H,204,257)(H,205,244)(H,206,263)(H,207,268)(H,208,274)(H,209,258)(H,210,264)(H,211,279)(H,212,280)(H,213,282)(H,214,281)(H,215,265)(H,216,271)(H,217,275)(H,218,277)(H,219,259)(H,220,272)(H,221,273)(H,222,260)(H,223,269)(H,224,270)(H,225,262)(H,226,261)(H,227,255)(H,228,256)(H,229,276)(H,245,246)(H,247,248)(H,249,250)(H,251,252)(H,253,254)(H,287,288)(H4,187,188,196)(H4,189,190,197)(H4,191,192,198)(H4,193,194,199)/t92-,93-,94-,95-,96+,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,142-,143-,144-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
2.00E+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 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 5


(Homo sapiens (Human))
BDBM50466537
PNG
(CHEMBL4293564)
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)[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](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O |r|
Show InChI InChI=1S/C181H280N52O55/c1-18-92(12)142(186)171(281)214-115(28-19-20-62-182)174(284)232-68-26-34-131(232)169(279)211-112(54-59-138(247)248)147(257)204-95(15)173(283)231-67-25-33-130(231)168(278)200-83-136(244)205-110(53-58-137(245)246)152(262)225-126(81-141(253)254)157(267)203-94(14)146(256)228-129(85-235)175(285)233-69-27-35-132(233)170(280)212-114(56-61-140(251)252)154(264)210-113(55-60-139(249)250)155(265)215-117(71-88(4)5)159(269)223-124(79-134(184)242)164(274)208-106(29-21-63-196-178(187)188)149(259)219-121(75-98-38-46-103(238)47-39-98)162(272)220-120(74-97-36-44-102(237)45-37-97)156(266)202-93(13)145(255)227-128(84-234)167(277)218-116(70-87(2)3)158(268)207-107(30-22-64-197-179(189)190)150(260)222-123(78-101-82-195-86-201-101)163(273)221-122(76-99-40-48-104(239)49-41-99)161(271)216-118(72-89(6)7)160(270)224-125(80-135(185)243)165(275)217-119(73-90(8)9)166(276)229-143(91(10)11)176(286)230(17)144(96(16)236)172(282)213-109(32-24-66-199-181(193)194)148(258)209-111(52-57-133(183)241)153(263)206-108(31-23-65-198-180(191)192)151(261)226-127(177(287)288)77-100-42-50-105(240)51-43-100/h36-51,82,86-96,106-132,142-144,234-240H,18-35,52-81,83-85,182,186H2,1-17H3,(H2,183,241)(H2,184,242)(H2,185,243)(H,195,201)(H,200,278)(H,202,266)(H,203,267)(H,204,257)(H,205,244)(H,206,263)(H,207,268)(H,208,274)(H,209,258)(H,210,264)(H,211,279)(H,212,280)(H,213,282)(H,214,281)(H,215,265)(H,216,271)(H,217,275)(H,218,277)(H,219,259)(H,220,272)(H,221,273)(H,222,260)(H,223,269)(H,224,270)(H,225,262)(H,226,261)(H,227,255)(H,228,256)(H,229,276)(H,245,246)(H,247,248)(H,249,250)(H,251,252)(H,253,254)(H,287,288)(H4,187,188,196)(H4,189,190,197)(H4,191,192,198)(H4,193,194,199)/t92-,93-,94-,95-,96+,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,142-,143-,144-/m0/s1
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
3.16E+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))
BDBM50466537
PNG
(CHEMBL4293564)
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)[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](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O |r|
Show InChI InChI=1S/C181H280N52O55/c1-18-92(12)142(186)171(281)214-115(28-19-20-62-182)174(284)232-68-26-34-131(232)169(279)211-112(54-59-138(247)248)147(257)204-95(15)173(283)231-67-25-33-130(231)168(278)200-83-136(244)205-110(53-58-137(245)246)152(262)225-126(81-141(253)254)157(267)203-94(14)146(256)228-129(85-235)175(285)233-69-27-35-132(233)170(280)212-114(56-61-140(251)252)154(264)210-113(55-60-139(249)250)155(265)215-117(71-88(4)5)159(269)223-124(79-134(184)242)164(274)208-106(29-21-63-196-178(187)188)149(259)219-121(75-98-38-46-103(238)47-39-98)162(272)220-120(74-97-36-44-102(237)45-37-97)156(266)202-93(13)145(255)227-128(84-234)167(277)218-116(70-87(2)3)158(268)207-107(30-22-64-197-179(189)190)150(260)222-123(78-101-82-195-86-201-101)163(273)221-122(76-99-40-48-104(239)49-41-99)161(271)216-118(72-89(6)7)160(270)224-125(80-135(185)243)165(275)217-119(73-90(8)9)166(276)229-143(91(10)11)176(286)230(17)144(96(16)236)172(282)213-109(32-24-66-199-181(193)194)148(258)209-111(52-57-133(183)241)153(263)206-108(31-23-65-198-180(191)192)151(261)226-127(177(287)288)77-100-42-50-105(240)51-43-100/h36-51,82,86-96,106-132,142-144,234-240H,18-35,52-81,83-85,182,186H2,1-17H3,(H2,183,241)(H2,184,242)(H2,185,243)(H,195,201)(H,200,278)(H,202,266)(H,203,267)(H,204,257)(H,205,244)(H,206,263)(H,207,268)(H,208,274)(H,209,258)(H,210,264)(H,211,279)(H,212,280)(H,213,282)(H,214,281)(H,215,265)(H,216,271)(H,217,275)(H,218,277)(H,219,259)(H,220,272)(H,221,273)(H,222,260)(H,223,269)(H,224,270)(H,225,262)(H,226,261)(H,227,255)(H,228,256)(H,229,276)(H,245,246)(H,247,248)(H,249,250)(H,251,252)(H,253,254)(H,287,288)(H4,187,188,196)(H4,189,190,197)(H4,191,192,198)(H4,193,194,199)/t92-,93-,94-,95-,96+,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,142-,143-,144-/m0/s1
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
3.20E+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 1


(Homo sapiens (Human))
BDBM50466537
PNG
(CHEMBL4293564)
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)[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](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O |r|
Show InChI InChI=1S/C181H280N52O55/c1-18-92(12)142(186)171(281)214-115(28-19-20-62-182)174(284)232-68-26-34-131(232)169(279)211-112(54-59-138(247)248)147(257)204-95(15)173(283)231-67-25-33-130(231)168(278)200-83-136(244)205-110(53-58-137(245)246)152(262)225-126(81-141(253)254)157(267)203-94(14)146(256)228-129(85-235)175(285)233-69-27-35-132(233)170(280)212-114(56-61-140(251)252)154(264)210-113(55-60-139(249)250)155(265)215-117(71-88(4)5)159(269)223-124(79-134(184)242)164(274)208-106(29-21-63-196-178(187)188)149(259)219-121(75-98-38-46-103(238)47-39-98)162(272)220-120(74-97-36-44-102(237)45-37-97)156(266)202-93(13)145(255)227-128(84-234)167(277)218-116(70-87(2)3)158(268)207-107(30-22-64-197-179(189)190)150(260)222-123(78-101-82-195-86-201-101)163(273)221-122(76-99-40-48-104(239)49-41-99)161(271)216-118(72-89(6)7)160(270)224-125(80-135(185)243)165(275)217-119(73-90(8)9)166(276)229-143(91(10)11)176(286)230(17)144(96(16)236)172(282)213-109(32-24-66-199-181(193)194)148(258)209-111(52-57-133(183)241)153(263)206-108(31-23-65-198-180(191)192)151(261)226-127(177(287)288)77-100-42-50-105(240)51-43-100/h36-51,82,86-96,106-132,142-144,234-240H,18-35,52-81,83-85,182,186H2,1-17H3,(H2,183,241)(H2,184,242)(H2,185,243)(H,195,201)(H,200,278)(H,202,266)(H,203,267)(H,204,257)(H,205,244)(H,206,263)(H,207,268)(H,208,274)(H,209,258)(H,210,264)(H,211,279)(H,212,280)(H,213,282)(H,214,281)(H,215,265)(H,216,271)(H,217,275)(H,218,277)(H,219,259)(H,220,272)(H,221,273)(H,222,260)(H,223,269)(H,224,270)(H,225,262)(H,226,261)(H,227,255)(H,228,256)(H,229,276)(H,245,246)(H,247,248)(H,249,250)(H,251,252)(H,253,254)(H,287,288)(H4,187,188,196)(H4,189,190,197)(H4,191,192,198)(H4,193,194,199)/t92-,93-,94-,95-,96+,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,142-,143-,144-/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))
BDBM50466537
PNG
(CHEMBL4293564)
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)[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](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O |r|
Show InChI InChI=1S/C181H280N52O55/c1-18-92(12)142(186)171(281)214-115(28-19-20-62-182)174(284)232-68-26-34-131(232)169(279)211-112(54-59-138(247)248)147(257)204-95(15)173(283)231-67-25-33-130(231)168(278)200-83-136(244)205-110(53-58-137(245)246)152(262)225-126(81-141(253)254)157(267)203-94(14)146(256)228-129(85-235)175(285)233-69-27-35-132(233)170(280)212-114(56-61-140(251)252)154(264)210-113(55-60-139(249)250)155(265)215-117(71-88(4)5)159(269)223-124(79-134(184)242)164(274)208-106(29-21-63-196-178(187)188)149(259)219-121(75-98-38-46-103(238)47-39-98)162(272)220-120(74-97-36-44-102(237)45-37-97)156(266)202-93(13)145(255)227-128(84-234)167(277)218-116(70-87(2)3)158(268)207-107(30-22-64-197-179(189)190)150(260)222-123(78-101-82-195-86-201-101)163(273)221-122(76-99-40-48-104(239)49-41-99)161(271)216-118(72-89(6)7)160(270)224-125(80-135(185)243)165(275)217-119(73-90(8)9)166(276)229-143(91(10)11)176(286)230(17)144(96(16)236)172(282)213-109(32-24-66-199-181(193)194)148(258)209-111(52-57-133(183)241)153(263)206-108(31-23-65-198-180(191)192)151(261)226-127(177(287)288)77-100-42-50-105(240)51-43-100/h36-51,82,86-96,106-132,142-144,234-240H,18-35,52-81,83-85,182,186H2,1-17H3,(H2,183,241)(H2,184,242)(H2,185,243)(H,195,201)(H,200,278)(H,202,266)(H,203,267)(H,204,257)(H,205,244)(H,206,263)(H,207,268)(H,208,274)(H,209,258)(H,210,264)(H,211,279)(H,212,280)(H,213,282)(H,214,281)(H,215,265)(H,216,271)(H,217,275)(H,218,277)(H,219,259)(H,220,272)(H,221,273)(H,222,260)(H,223,269)(H,224,270)(H,225,262)(H,226,261)(H,227,255)(H,228,256)(H,229,276)(H,245,246)(H,247,248)(H,249,250)(H,251,252)(H,253,254)(H,287,288)(H4,187,188,196)(H4,189,190,197)(H4,191,192,198)(H4,193,194,199)/t92-,93-,94-,95-,96+,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,142-,143-,144-/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