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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 4063.4
BDBM50466555

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))
BDBM50466555
PNG
(CHEMBL4291705)
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](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NC |r|
Show InChI InChI=1S/C181H281N53O54/c1-18-92(12)142(186)172(283)215-115(28-19-20-62-182)176(287)233-68-26-34-131(233)170(281)212-112(54-59-138(248)249)148(259)205-95(15)175(286)232-67-25-33-130(232)169(280)201-83-136(245)206-110(53-58-137(246)247)153(264)227-127(81-141(254)255)158(269)204-94(14)146(257)229-129(85-236)177(288)234-69-27-35-132(234)171(282)213-114(56-61-140(252)253)155(266)211-113(55-60-139(250)251)156(267)216-117(71-88(4)5)160(271)225-125(79-134(184)243)165(276)209-107(30-22-64-198-179(189)190)151(262)221-122(76-99-40-48-104(240)49-41-99)163(274)222-121(75-98-38-46-103(239)47-39-98)157(268)203-93(13)145(256)228-128(84-235)168(279)219-116(70-87(2)3)159(270)208-108(31-23-65-199-180(191)192)152(263)224-124(78-101-82-196-86-202-101)164(275)223-123(77-100-42-50-105(241)51-43-100)162(273)217-118(72-89(6)7)161(272)226-126(80-135(185)244)166(277)218-119(73-90(8)9)167(278)230-143(91(10)11)173(284)231-144(96(16)237)174(285)214-109(32-24-66-200-181(193)194)149(260)210-111(52-57-133(183)242)154(265)207-106(29-21-63-197-178(187)188)150(261)220-120(147(258)195-17)74-97-36-44-102(238)45-37-97/h36-51,82,86-96,106-132,142-144,235-241H,18-35,52-81,83-85,182,186H2,1-17H3,(H2,183,242)(H2,184,243)(H2,185,244)(H,195,258)(H,196,202)(H,201,280)(H,203,268)(H,204,269)(H,205,259)(H,206,245)(H,207,265)(H,208,270)(H,209,276)(H,210,260)(H,211,266)(H,212,281)(H,213,282)(H,214,285)(H,215,283)(H,216,267)(H,217,273)(H,218,277)(H,219,279)(H,220,261)(H,221,262)(H,222,274)(H,223,275)(H,224,263)(H,225,271)(H,226,272)(H,227,264)(H,228,256)(H,229,257)(H,230,278)(H,231,284)(H,246,247)(H,248,249)(H,250,251)(H,252,253)(H,254,255)(H4,187,188,197)(H4,189,190,198)(H4,191,192,199)(H4,193,194,200)/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
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 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))
BDBM50466555
PNG
(CHEMBL4291705)
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](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NC |r|
Show InChI InChI=1S/C181H281N53O54/c1-18-92(12)142(186)172(283)215-115(28-19-20-62-182)176(287)233-68-26-34-131(233)170(281)212-112(54-59-138(248)249)148(259)205-95(15)175(286)232-67-25-33-130(232)169(280)201-83-136(245)206-110(53-58-137(246)247)153(264)227-127(81-141(254)255)158(269)204-94(14)146(257)229-129(85-236)177(288)234-69-27-35-132(234)171(282)213-114(56-61-140(252)253)155(266)211-113(55-60-139(250)251)156(267)216-117(71-88(4)5)160(271)225-125(79-134(184)243)165(276)209-107(30-22-64-198-179(189)190)151(262)221-122(76-99-40-48-104(240)49-41-99)163(274)222-121(75-98-38-46-103(239)47-39-98)157(268)203-93(13)145(256)228-128(84-235)168(279)219-116(70-87(2)3)159(270)208-108(31-23-65-199-180(191)192)152(263)224-124(78-101-82-196-86-202-101)164(275)223-123(77-100-42-50-105(241)51-43-100)162(273)217-118(72-89(6)7)161(272)226-126(80-135(185)244)166(277)218-119(73-90(8)9)167(278)230-143(91(10)11)173(284)231-144(96(16)237)174(285)214-109(32-24-66-200-181(193)194)149(260)210-111(52-57-133(183)242)154(265)207-106(29-21-63-197-178(187)188)150(261)220-120(147(258)195-17)74-97-36-44-102(238)45-37-97/h36-51,82,86-96,106-132,142-144,235-241H,18-35,52-81,83-85,182,186H2,1-17H3,(H2,183,242)(H2,184,243)(H2,185,244)(H,195,258)(H,196,202)(H,201,280)(H,203,268)(H,204,269)(H,205,259)(H,206,245)(H,207,265)(H,208,270)(H,209,276)(H,210,260)(H,211,266)(H,212,281)(H,213,282)(H,214,285)(H,215,283)(H,216,267)(H,217,273)(H,218,277)(H,219,279)(H,220,261)(H,221,262)(H,222,274)(H,223,275)(H,224,263)(H,225,271)(H,226,272)(H,227,264)(H,228,256)(H,229,257)(H,230,278)(H,231,284)(H,246,247)(H,248,249)(H,250,251)(H,252,253)(H,254,255)(H4,187,188,197)(H4,189,190,198)(H4,191,192,199)(H4,193,194,200)/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
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 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))
BDBM50466555
PNG
(CHEMBL4291705)
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](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NC |r|
Show InChI InChI=1S/C181H281N53O54/c1-18-92(12)142(186)172(283)215-115(28-19-20-62-182)176(287)233-68-26-34-131(233)170(281)212-112(54-59-138(248)249)148(259)205-95(15)175(286)232-67-25-33-130(232)169(280)201-83-136(245)206-110(53-58-137(246)247)153(264)227-127(81-141(254)255)158(269)204-94(14)146(257)229-129(85-236)177(288)234-69-27-35-132(234)171(282)213-114(56-61-140(252)253)155(266)211-113(55-60-139(250)251)156(267)216-117(71-88(4)5)160(271)225-125(79-134(184)243)165(276)209-107(30-22-64-198-179(189)190)151(262)221-122(76-99-40-48-104(240)49-41-99)163(274)222-121(75-98-38-46-103(239)47-39-98)157(268)203-93(13)145(256)228-128(84-235)168(279)219-116(70-87(2)3)159(270)208-108(31-23-65-199-180(191)192)152(263)224-124(78-101-82-196-86-202-101)164(275)223-123(77-100-42-50-105(241)51-43-100)162(273)217-118(72-89(6)7)161(272)226-126(80-135(185)244)166(277)218-119(73-90(8)9)167(278)230-143(91(10)11)173(284)231-144(96(16)237)174(285)214-109(32-24-66-200-181(193)194)149(260)210-111(52-57-133(183)242)154(265)207-106(29-21-63-197-178(187)188)150(261)220-120(147(258)195-17)74-97-36-44-102(238)45-37-97/h36-51,82,86-96,106-132,142-144,235-241H,18-35,52-81,83-85,182,186H2,1-17H3,(H2,183,242)(H2,184,243)(H2,185,244)(H,195,258)(H,196,202)(H,201,280)(H,203,268)(H,204,269)(H,205,259)(H,206,245)(H,207,265)(H,208,270)(H,209,276)(H,210,260)(H,211,266)(H,212,281)(H,213,282)(H,214,285)(H,215,283)(H,216,267)(H,217,273)(H,218,277)(H,219,279)(H,220,261)(H,221,262)(H,222,274)(H,223,275)(H,224,263)(H,225,271)(H,226,272)(H,227,264)(H,228,256)(H,229,257)(H,230,278)(H,231,284)(H,246,247)(H,248,249)(H,250,251)(H,252,253)(H,254,255)(H4,187,188,197)(H4,189,190,198)(H4,191,192,199)(H4,193,194,200)/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
1.26E+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))
BDBM50466555
PNG
(CHEMBL4291705)
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](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NC |r|
Show InChI InChI=1S/C181H281N53O54/c1-18-92(12)142(186)172(283)215-115(28-19-20-62-182)176(287)233-68-26-34-131(233)170(281)212-112(54-59-138(248)249)148(259)205-95(15)175(286)232-67-25-33-130(232)169(280)201-83-136(245)206-110(53-58-137(246)247)153(264)227-127(81-141(254)255)158(269)204-94(14)146(257)229-129(85-236)177(288)234-69-27-35-132(234)171(282)213-114(56-61-140(252)253)155(266)211-113(55-60-139(250)251)156(267)216-117(71-88(4)5)160(271)225-125(79-134(184)243)165(276)209-107(30-22-64-198-179(189)190)151(262)221-122(76-99-40-48-104(240)49-41-99)163(274)222-121(75-98-38-46-103(239)47-39-98)157(268)203-93(13)145(256)228-128(84-235)168(279)219-116(70-87(2)3)159(270)208-108(31-23-65-199-180(191)192)152(263)224-124(78-101-82-196-86-202-101)164(275)223-123(77-100-42-50-105(241)51-43-100)162(273)217-118(72-89(6)7)161(272)226-126(80-135(185)244)166(277)218-119(73-90(8)9)167(278)230-143(91(10)11)173(284)231-144(96(16)237)174(285)214-109(32-24-66-200-181(193)194)149(260)210-111(52-57-133(183)242)154(265)207-106(29-21-63-197-178(187)188)150(261)220-120(147(258)195-17)74-97-36-44-102(238)45-37-97/h36-51,82,86-96,106-132,142-144,235-241H,18-35,52-81,83-85,182,186H2,1-17H3,(H2,183,242)(H2,184,243)(H2,185,244)(H,195,258)(H,196,202)(H,201,280)(H,203,268)(H,204,269)(H,205,259)(H,206,245)(H,207,265)(H,208,270)(H,209,276)(H,210,260)(H,211,266)(H,212,281)(H,213,282)(H,214,285)(H,215,283)(H,216,267)(H,217,273)(H,218,277)(H,219,279)(H,220,261)(H,221,262)(H,222,274)(H,223,275)(H,224,263)(H,225,271)(H,226,272)(H,227,264)(H,228,256)(H,229,257)(H,230,278)(H,231,284)(H,246,247)(H,248,249)(H,250,251)(H,252,253)(H,254,255)(H4,187,188,197)(H4,189,190,198)(H4,191,192,199)(H4,193,194,200)/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
1.30E+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))
BDBM50466555
PNG
(CHEMBL4291705)
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](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NC |r|
Show InChI InChI=1S/C181H281N53O54/c1-18-92(12)142(186)172(283)215-115(28-19-20-62-182)176(287)233-68-26-34-131(233)170(281)212-112(54-59-138(248)249)148(259)205-95(15)175(286)232-67-25-33-130(232)169(280)201-83-136(245)206-110(53-58-137(246)247)153(264)227-127(81-141(254)255)158(269)204-94(14)146(257)229-129(85-236)177(288)234-69-27-35-132(234)171(282)213-114(56-61-140(252)253)155(266)211-113(55-60-139(250)251)156(267)216-117(71-88(4)5)160(271)225-125(79-134(184)243)165(276)209-107(30-22-64-198-179(189)190)151(262)221-122(76-99-40-48-104(240)49-41-99)163(274)222-121(75-98-38-46-103(239)47-39-98)157(268)203-93(13)145(256)228-128(84-235)168(279)219-116(70-87(2)3)159(270)208-108(31-23-65-199-180(191)192)152(263)224-124(78-101-82-196-86-202-101)164(275)223-123(77-100-42-50-105(241)51-43-100)162(273)217-118(72-89(6)7)161(272)226-126(80-135(185)244)166(277)218-119(73-90(8)9)167(278)230-143(91(10)11)173(284)231-144(96(16)237)174(285)214-109(32-24-66-200-181(193)194)149(260)210-111(52-57-133(183)242)154(265)207-106(29-21-63-197-178(187)188)150(261)220-120(147(258)195-17)74-97-36-44-102(238)45-37-97/h36-51,82,86-96,106-132,142-144,235-241H,18-35,52-81,83-85,182,186H2,1-17H3,(H2,183,242)(H2,184,243)(H2,185,244)(H,195,258)(H,196,202)(H,201,280)(H,203,268)(H,204,269)(H,205,259)(H,206,245)(H,207,265)(H,208,270)(H,209,276)(H,210,260)(H,211,266)(H,212,281)(H,213,282)(H,214,285)(H,215,283)(H,216,267)(H,217,273)(H,218,277)(H,219,279)(H,220,261)(H,221,262)(H,222,274)(H,223,275)(H,224,263)(H,225,271)(H,226,272)(H,227,264)(H,228,256)(H,229,257)(H,230,278)(H,231,284)(H,246,247)(H,248,249)(H,250,251)(H,252,253)(H,254,255)(H4,187,188,197)(H4,189,190,198)(H4,191,192,199)(H4,193,194,200)/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
2.50E+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))
BDBM50466555
PNG
(CHEMBL4291705)
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](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NC |r|
Show InChI InChI=1S/C181H281N53O54/c1-18-92(12)142(186)172(283)215-115(28-19-20-62-182)176(287)233-68-26-34-131(233)170(281)212-112(54-59-138(248)249)148(259)205-95(15)175(286)232-67-25-33-130(232)169(280)201-83-136(245)206-110(53-58-137(246)247)153(264)227-127(81-141(254)255)158(269)204-94(14)146(257)229-129(85-236)177(288)234-69-27-35-132(234)171(282)213-114(56-61-140(252)253)155(266)211-113(55-60-139(250)251)156(267)216-117(71-88(4)5)160(271)225-125(79-134(184)243)165(276)209-107(30-22-64-198-179(189)190)151(262)221-122(76-99-40-48-104(240)49-41-99)163(274)222-121(75-98-38-46-103(239)47-39-98)157(268)203-93(13)145(256)228-128(84-235)168(279)219-116(70-87(2)3)159(270)208-108(31-23-65-199-180(191)192)152(263)224-124(78-101-82-196-86-202-101)164(275)223-123(77-100-42-50-105(241)51-43-100)162(273)217-118(72-89(6)7)161(272)226-126(80-135(185)244)166(277)218-119(73-90(8)9)167(278)230-143(91(10)11)173(284)231-144(96(16)237)174(285)214-109(32-24-66-200-181(193)194)149(260)210-111(52-57-133(183)242)154(265)207-106(29-21-63-197-178(187)188)150(261)220-120(147(258)195-17)74-97-36-44-102(238)45-37-97/h36-51,82,86-96,106-132,142-144,235-241H,18-35,52-81,83-85,182,186H2,1-17H3,(H2,183,242)(H2,184,243)(H2,185,244)(H,195,258)(H,196,202)(H,201,280)(H,203,268)(H,204,269)(H,205,259)(H,206,245)(H,207,265)(H,208,270)(H,209,276)(H,210,260)(H,211,266)(H,212,281)(H,213,282)(H,214,285)(H,215,283)(H,216,267)(H,217,273)(H,218,277)(H,219,279)(H,220,261)(H,221,262)(H,222,274)(H,223,275)(H,224,263)(H,225,271)(H,226,272)(H,227,264)(H,228,256)(H,229,257)(H,230,278)(H,231,284)(H,246,247)(H,248,249)(H,250,251)(H,252,253)(H,254,255)(H4,187,188,197)(H4,189,190,198)(H4,191,192,199)(H4,193,194,200)/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
2.51E+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))
BDBM50466555
PNG
(CHEMBL4291705)
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](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NC |r|
Show InChI InChI=1S/C181H281N53O54/c1-18-92(12)142(186)172(283)215-115(28-19-20-62-182)176(287)233-68-26-34-131(233)170(281)212-112(54-59-138(248)249)148(259)205-95(15)175(286)232-67-25-33-130(232)169(280)201-83-136(245)206-110(53-58-137(246)247)153(264)227-127(81-141(254)255)158(269)204-94(14)146(257)229-129(85-236)177(288)234-69-27-35-132(234)171(282)213-114(56-61-140(252)253)155(266)211-113(55-60-139(250)251)156(267)216-117(71-88(4)5)160(271)225-125(79-134(184)243)165(276)209-107(30-22-64-198-179(189)190)151(262)221-122(76-99-40-48-104(240)49-41-99)163(274)222-121(75-98-38-46-103(239)47-39-98)157(268)203-93(13)145(256)228-128(84-235)168(279)219-116(70-87(2)3)159(270)208-108(31-23-65-199-180(191)192)152(263)224-124(78-101-82-196-86-202-101)164(275)223-123(77-100-42-50-105(241)51-43-100)162(273)217-118(72-89(6)7)161(272)226-126(80-135(185)244)166(277)218-119(73-90(8)9)167(278)230-143(91(10)11)173(284)231-144(96(16)237)174(285)214-109(32-24-66-200-181(193)194)149(260)210-111(52-57-133(183)242)154(265)207-106(29-21-63-197-178(187)188)150(261)220-120(147(258)195-17)74-97-36-44-102(238)45-37-97/h36-51,82,86-96,106-132,142-144,235-241H,18-35,52-81,83-85,182,186H2,1-17H3,(H2,183,242)(H2,184,243)(H2,185,244)(H,195,258)(H,196,202)(H,201,280)(H,203,268)(H,204,269)(H,205,259)(H,206,245)(H,207,265)(H,208,270)(H,209,276)(H,210,260)(H,211,266)(H,212,281)(H,213,282)(H,214,285)(H,215,283)(H,216,267)(H,217,273)(H,218,277)(H,219,279)(H,220,261)(H,221,262)(H,222,274)(H,223,275)(H,224,263)(H,225,271)(H,226,272)(H,227,264)(H,228,256)(H,229,257)(H,230,278)(H,231,284)(H,246,247)(H,248,249)(H,250,251)(H,252,253)(H,254,255)(H4,187,188,197)(H4,189,190,198)(H4,191,192,199)(H4,193,194,200)/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))
BDBM50466555
PNG
(CHEMBL4291705)
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](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NC |r|
Show InChI InChI=1S/C181H281N53O54/c1-18-92(12)142(186)172(283)215-115(28-19-20-62-182)176(287)233-68-26-34-131(233)170(281)212-112(54-59-138(248)249)148(259)205-95(15)175(286)232-67-25-33-130(232)169(280)201-83-136(245)206-110(53-58-137(246)247)153(264)227-127(81-141(254)255)158(269)204-94(14)146(257)229-129(85-236)177(288)234-69-27-35-132(234)171(282)213-114(56-61-140(252)253)155(266)211-113(55-60-139(250)251)156(267)216-117(71-88(4)5)160(271)225-125(79-134(184)243)165(276)209-107(30-22-64-198-179(189)190)151(262)221-122(76-99-40-48-104(240)49-41-99)163(274)222-121(75-98-38-46-103(239)47-39-98)157(268)203-93(13)145(256)228-128(84-235)168(279)219-116(70-87(2)3)159(270)208-108(31-23-65-199-180(191)192)152(263)224-124(78-101-82-196-86-202-101)164(275)223-123(77-100-42-50-105(241)51-43-100)162(273)217-118(72-89(6)7)161(272)226-126(80-135(185)244)166(277)218-119(73-90(8)9)167(278)230-143(91(10)11)173(284)231-144(96(16)237)174(285)214-109(32-24-66-200-181(193)194)149(260)210-111(52-57-133(183)242)154(265)207-106(29-21-63-197-178(187)188)150(261)220-120(147(258)195-17)74-97-36-44-102(238)45-37-97/h36-51,82,86-96,106-132,142-144,235-241H,18-35,52-81,83-85,182,186H2,1-17H3,(H2,183,242)(H2,184,243)(H2,185,244)(H,195,258)(H,196,202)(H,201,280)(H,203,268)(H,204,269)(H,205,259)(H,206,245)(H,207,265)(H,208,270)(H,209,276)(H,210,260)(H,211,266)(H,212,281)(H,213,282)(H,214,285)(H,215,283)(H,216,267)(H,217,273)(H,218,277)(H,219,279)(H,220,261)(H,221,262)(H,222,274)(H,223,275)(H,224,263)(H,225,271)(H,226,272)(H,227,264)(H,228,256)(H,229,257)(H,230,278)(H,231,284)(H,246,247)(H,248,249)(H,250,251)(H,252,253)(H,254,255)(H4,187,188,197)(H4,189,190,198)(H4,191,192,199)(H4,193,194,200)/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