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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
BDBM50466565

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))
BDBM50466565
PNG
(CHEMBL4278746)
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)CC(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O |r|
Show InChI InChI=1S/C181H280N52O55/c1-17-92(12)143(186)171(281)215-115(28-18-19-61-182)175(285)232-67-25-33-131(232)169(279)212-112(53-58-139(248)249)148(258)204-95(15)174(284)231-66-24-32-130(231)168(278)200-83-137(245)206-110(52-57-138(246)247)153(263)226-126(81-142(254)255)157(267)203-94(14)147(257)228-129(85-235)176(286)233-68-26-34-132(233)170(280)213-114(55-60-141(252)253)154(264)211-113(54-59-140(250)251)155(265)216-117(70-88(4)5)159(269)224-124(79-134(184)242)164(274)209-107(29-21-63-197-179(189)190)151(261)220-121(74-98-37-45-104(238)46-38-98)162(272)221-120(73-97-35-43-103(237)44-36-97)156(266)202-93(13)146(256)227-128(84-234)167(277)219-116(69-87(2)3)158(268)208-108(30-22-64-198-180(191)192)152(262)223-123(77-102-82-195-86-201-102)163(273)222-122(75-99-39-47-105(239)48-40-99)161(271)217-118(71-89(6)7)160(270)225-125(80-135(185)243)165(275)218-119(72-90(8)9)166(276)229-144(91(10)11)172(282)230-145(96(16)236)173(283)214-109(31-23-65-199-181(193)194)150(260)210-111(51-56-133(183)241)149(259)205-101(27-20-62-196-178(187)188)78-136(244)207-127(177(287)288)76-100-41-49-106(240)50-42-100/h35-50,82,86-96,101,107-132,143-145,234-240H,17-34,51-81,83-85,182,186H2,1-16H3,(H2,183,241)(H2,184,242)(H2,185,243)(H,195,201)(H,200,278)(H,202,266)(H,203,267)(H,204,258)(H,205,259)(H,206,245)(H,207,244)(H,208,268)(H,209,274)(H,210,260)(H,211,264)(H,212,279)(H,213,280)(H,214,283)(H,215,281)(H,216,265)(H,217,271)(H,218,275)(H,219,277)(H,220,261)(H,221,272)(H,222,273)(H,223,262)(H,224,269)(H,225,270)(H,226,263)(H,227,256)(H,228,257)(H,229,276)(H,230,282)(H,246,247)(H,248,249)(H,250,251)(H,252,253)(H,254,255)(H,287,288)(H4,187,188,196)(H4,189,190,197)(H4,191,192,198)(H4,193,194,199)/t92-,93-,94-,95-,96+,101+,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-,143-,144-,145-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
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]-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))
BDBM50466565
PNG
(CHEMBL4278746)
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)CC(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O |r|
Show InChI InChI=1S/C181H280N52O55/c1-17-92(12)143(186)171(281)215-115(28-18-19-61-182)175(285)232-67-25-33-131(232)169(279)212-112(53-58-139(248)249)148(258)204-95(15)174(284)231-66-24-32-130(231)168(278)200-83-137(245)206-110(52-57-138(246)247)153(263)226-126(81-142(254)255)157(267)203-94(14)147(257)228-129(85-235)176(286)233-68-26-34-132(233)170(280)213-114(55-60-141(252)253)154(264)211-113(54-59-140(250)251)155(265)216-117(70-88(4)5)159(269)224-124(79-134(184)242)164(274)209-107(29-21-63-197-179(189)190)151(261)220-121(74-98-37-45-104(238)46-38-98)162(272)221-120(73-97-35-43-103(237)44-36-97)156(266)202-93(13)146(256)227-128(84-234)167(277)219-116(69-87(2)3)158(268)208-108(30-22-64-198-180(191)192)152(262)223-123(77-102-82-195-86-201-102)163(273)222-122(75-99-39-47-105(239)48-40-99)161(271)217-118(71-89(6)7)160(270)225-125(80-135(185)243)165(275)218-119(72-90(8)9)166(276)229-144(91(10)11)172(282)230-145(96(16)236)173(283)214-109(31-23-65-199-181(193)194)150(260)210-111(51-56-133(183)241)149(259)205-101(27-20-62-196-178(187)188)78-136(244)207-127(177(287)288)76-100-41-49-106(240)50-42-100/h35-50,82,86-96,101,107-132,143-145,234-240H,17-34,51-81,83-85,182,186H2,1-16H3,(H2,183,241)(H2,184,242)(H2,185,243)(H,195,201)(H,200,278)(H,202,266)(H,203,267)(H,204,258)(H,205,259)(H,206,245)(H,207,244)(H,208,268)(H,209,274)(H,210,260)(H,211,264)(H,212,279)(H,213,280)(H,214,283)(H,215,281)(H,216,265)(H,217,271)(H,218,275)(H,219,277)(H,220,261)(H,221,272)(H,222,273)(H,223,262)(H,224,269)(H,225,270)(H,226,263)(H,227,256)(H,228,257)(H,229,276)(H,230,282)(H,246,247)(H,248,249)(H,250,251)(H,252,253)(H,254,255)(H,287,288)(H4,187,188,196)(H4,189,190,197)(H4,191,192,198)(H4,193,194,199)/t92-,93-,94-,95-,96+,101+,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-,143-,144-,145-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
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]-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))
BDBM50466565
PNG
(CHEMBL4278746)
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)CC(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O |r|
Show InChI InChI=1S/C181H280N52O55/c1-17-92(12)143(186)171(281)215-115(28-18-19-61-182)175(285)232-67-25-33-131(232)169(279)212-112(53-58-139(248)249)148(258)204-95(15)174(284)231-66-24-32-130(231)168(278)200-83-137(245)206-110(52-57-138(246)247)153(263)226-126(81-142(254)255)157(267)203-94(14)147(257)228-129(85-235)176(286)233-68-26-34-132(233)170(280)213-114(55-60-141(252)253)154(264)211-113(54-59-140(250)251)155(265)216-117(70-88(4)5)159(269)224-124(79-134(184)242)164(274)209-107(29-21-63-197-179(189)190)151(261)220-121(74-98-37-45-104(238)46-38-98)162(272)221-120(73-97-35-43-103(237)44-36-97)156(266)202-93(13)146(256)227-128(84-234)167(277)219-116(69-87(2)3)158(268)208-108(30-22-64-198-180(191)192)152(262)223-123(77-102-82-195-86-201-102)163(273)222-122(75-99-39-47-105(239)48-40-99)161(271)217-118(71-89(6)7)160(270)225-125(80-135(185)243)165(275)218-119(72-90(8)9)166(276)229-144(91(10)11)172(282)230-145(96(16)236)173(283)214-109(31-23-65-199-181(193)194)150(260)210-111(51-56-133(183)241)149(259)205-101(27-20-62-196-178(187)188)78-136(244)207-127(177(287)288)76-100-41-49-106(240)50-42-100/h35-50,82,86-96,101,107-132,143-145,234-240H,17-34,51-81,83-85,182,186H2,1-16H3,(H2,183,241)(H2,184,242)(H2,185,243)(H,195,201)(H,200,278)(H,202,266)(H,203,267)(H,204,258)(H,205,259)(H,206,245)(H,207,244)(H,208,268)(H,209,274)(H,210,260)(H,211,264)(H,212,279)(H,213,280)(H,214,283)(H,215,281)(H,216,265)(H,217,271)(H,218,275)(H,219,277)(H,220,261)(H,221,272)(H,222,273)(H,223,262)(H,224,269)(H,225,270)(H,226,263)(H,227,256)(H,228,257)(H,229,276)(H,230,282)(H,246,247)(H,248,249)(H,250,251)(H,252,253)(H,254,255)(H,287,288)(H4,187,188,196)(H4,189,190,197)(H4,191,192,198)(H4,193,194,199)/t92-,93-,94-,95-,96+,101+,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-,143-,144-,145-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
5.00E+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))
BDBM50466565
PNG
(CHEMBL4278746)
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)CC(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O |r|
Show InChI InChI=1S/C181H280N52O55/c1-17-92(12)143(186)171(281)215-115(28-18-19-61-182)175(285)232-67-25-33-131(232)169(279)212-112(53-58-139(248)249)148(258)204-95(15)174(284)231-66-24-32-130(231)168(278)200-83-137(245)206-110(52-57-138(246)247)153(263)226-126(81-142(254)255)157(267)203-94(14)147(257)228-129(85-235)176(286)233-68-26-34-132(233)170(280)213-114(55-60-141(252)253)154(264)211-113(54-59-140(250)251)155(265)216-117(70-88(4)5)159(269)224-124(79-134(184)242)164(274)209-107(29-21-63-197-179(189)190)151(261)220-121(74-98-37-45-104(238)46-38-98)162(272)221-120(73-97-35-43-103(237)44-36-97)156(266)202-93(13)146(256)227-128(84-234)167(277)219-116(69-87(2)3)158(268)208-108(30-22-64-198-180(191)192)152(262)223-123(77-102-82-195-86-201-102)163(273)222-122(75-99-39-47-105(239)48-40-99)161(271)217-118(71-89(6)7)160(270)225-125(80-135(185)243)165(275)218-119(72-90(8)9)166(276)229-144(91(10)11)172(282)230-145(96(16)236)173(283)214-109(31-23-65-199-181(193)194)150(260)210-111(51-56-133(183)241)149(259)205-101(27-20-62-196-178(187)188)78-136(244)207-127(177(287)288)76-100-41-49-106(240)50-42-100/h35-50,82,86-96,101,107-132,143-145,234-240H,17-34,51-81,83-85,182,186H2,1-16H3,(H2,183,241)(H2,184,242)(H2,185,243)(H,195,201)(H,200,278)(H,202,266)(H,203,267)(H,204,258)(H,205,259)(H,206,245)(H,207,244)(H,208,268)(H,209,274)(H,210,260)(H,211,264)(H,212,279)(H,213,280)(H,214,283)(H,215,281)(H,216,265)(H,217,271)(H,218,275)(H,219,277)(H,220,261)(H,221,272)(H,222,273)(H,223,262)(H,224,269)(H,225,270)(H,226,263)(H,227,256)(H,228,257)(H,229,276)(H,230,282)(H,246,247)(H,248,249)(H,250,251)(H,252,253)(H,254,255)(H,287,288)(H4,187,188,196)(H4,189,190,197)(H4,191,192,198)(H4,193,194,199)/t92-,93-,94-,95-,96+,101+,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-,143-,144-,145-/m0/s1
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
5.00E+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))
BDBM50466565
PNG
(CHEMBL4278746)
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)CC(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O |r|
Show InChI InChI=1S/C181H280N52O55/c1-17-92(12)143(186)171(281)215-115(28-18-19-61-182)175(285)232-67-25-33-131(232)169(279)212-112(53-58-139(248)249)148(258)204-95(15)174(284)231-66-24-32-130(231)168(278)200-83-137(245)206-110(52-57-138(246)247)153(263)226-126(81-142(254)255)157(267)203-94(14)147(257)228-129(85-235)176(286)233-68-26-34-132(233)170(280)213-114(55-60-141(252)253)154(264)211-113(54-59-140(250)251)155(265)216-117(70-88(4)5)159(269)224-124(79-134(184)242)164(274)209-107(29-21-63-197-179(189)190)151(261)220-121(74-98-37-45-104(238)46-38-98)162(272)221-120(73-97-35-43-103(237)44-36-97)156(266)202-93(13)146(256)227-128(84-234)167(277)219-116(69-87(2)3)158(268)208-108(30-22-64-198-180(191)192)152(262)223-123(77-102-82-195-86-201-102)163(273)222-122(75-99-39-47-105(239)48-40-99)161(271)217-118(71-89(6)7)160(270)225-125(80-135(185)243)165(275)218-119(72-90(8)9)166(276)229-144(91(10)11)172(282)230-145(96(16)236)173(283)214-109(31-23-65-199-181(193)194)150(260)210-111(51-56-133(183)241)149(259)205-101(27-20-62-196-178(187)188)78-136(244)207-127(177(287)288)76-100-41-49-106(240)50-42-100/h35-50,82,86-96,101,107-132,143-145,234-240H,17-34,51-81,83-85,182,186H2,1-16H3,(H2,183,241)(H2,184,242)(H2,185,243)(H,195,201)(H,200,278)(H,202,266)(H,203,267)(H,204,258)(H,205,259)(H,206,245)(H,207,244)(H,208,268)(H,209,274)(H,210,260)(H,211,264)(H,212,279)(H,213,280)(H,214,283)(H,215,281)(H,216,265)(H,217,271)(H,218,275)(H,219,277)(H,220,261)(H,221,272)(H,222,273)(H,223,262)(H,224,269)(H,225,270)(H,226,263)(H,227,256)(H,228,257)(H,229,276)(H,230,282)(H,246,247)(H,248,249)(H,250,251)(H,252,253)(H,254,255)(H,287,288)(H4,187,188,196)(H4,189,190,197)(H4,191,192,198)(H4,193,194,199)/t92-,93-,94-,95-,96+,101+,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-,143-,144-,145-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
5.01E+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))
BDBM50466565
PNG
(CHEMBL4278746)
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)CC(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O |r|
Show InChI InChI=1S/C181H280N52O55/c1-17-92(12)143(186)171(281)215-115(28-18-19-61-182)175(285)232-67-25-33-131(232)169(279)212-112(53-58-139(248)249)148(258)204-95(15)174(284)231-66-24-32-130(231)168(278)200-83-137(245)206-110(52-57-138(246)247)153(263)226-126(81-142(254)255)157(267)203-94(14)147(257)228-129(85-235)176(286)233-68-26-34-132(233)170(280)213-114(55-60-141(252)253)154(264)211-113(54-59-140(250)251)155(265)216-117(70-88(4)5)159(269)224-124(79-134(184)242)164(274)209-107(29-21-63-197-179(189)190)151(261)220-121(74-98-37-45-104(238)46-38-98)162(272)221-120(73-97-35-43-103(237)44-36-97)156(266)202-93(13)146(256)227-128(84-234)167(277)219-116(69-87(2)3)158(268)208-108(30-22-64-198-180(191)192)152(262)223-123(77-102-82-195-86-201-102)163(273)222-122(75-99-39-47-105(239)48-40-99)161(271)217-118(71-89(6)7)160(270)225-125(80-135(185)243)165(275)218-119(72-90(8)9)166(276)229-144(91(10)11)172(282)230-145(96(16)236)173(283)214-109(31-23-65-199-181(193)194)150(260)210-111(51-56-133(183)241)149(259)205-101(27-20-62-196-178(187)188)78-136(244)207-127(177(287)288)76-100-41-49-106(240)50-42-100/h35-50,82,86-96,101,107-132,143-145,234-240H,17-34,51-81,83-85,182,186H2,1-16H3,(H2,183,241)(H2,184,242)(H2,185,243)(H,195,201)(H,200,278)(H,202,266)(H,203,267)(H,204,258)(H,205,259)(H,206,245)(H,207,244)(H,208,268)(H,209,274)(H,210,260)(H,211,264)(H,212,279)(H,213,280)(H,214,283)(H,215,281)(H,216,265)(H,217,271)(H,218,275)(H,219,277)(H,220,261)(H,221,272)(H,222,273)(H,223,262)(H,224,269)(H,225,270)(H,226,263)(H,227,256)(H,228,257)(H,229,276)(H,230,282)(H,246,247)(H,248,249)(H,250,251)(H,252,253)(H,254,255)(H,287,288)(H4,187,188,196)(H4,189,190,197)(H4,191,192,198)(H4,193,194,199)/t92-,93-,94-,95-,96+,101+,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-,143-,144-,145-/m0/s1
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
5.01E+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))
BDBM50466565
PNG
(CHEMBL4278746)
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)CC(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O |r|
Show InChI InChI=1S/C181H280N52O55/c1-17-92(12)143(186)171(281)215-115(28-18-19-61-182)175(285)232-67-25-33-131(232)169(279)212-112(53-58-139(248)249)148(258)204-95(15)174(284)231-66-24-32-130(231)168(278)200-83-137(245)206-110(52-57-138(246)247)153(263)226-126(81-142(254)255)157(267)203-94(14)147(257)228-129(85-235)176(286)233-68-26-34-132(233)170(280)213-114(55-60-141(252)253)154(264)211-113(54-59-140(250)251)155(265)216-117(70-88(4)5)159(269)224-124(79-134(184)242)164(274)209-107(29-21-63-197-179(189)190)151(261)220-121(74-98-37-45-104(238)46-38-98)162(272)221-120(73-97-35-43-103(237)44-36-97)156(266)202-93(13)146(256)227-128(84-234)167(277)219-116(69-87(2)3)158(268)208-108(30-22-64-198-180(191)192)152(262)223-123(77-102-82-195-86-201-102)163(273)222-122(75-99-39-47-105(239)48-40-99)161(271)217-118(71-89(6)7)160(270)225-125(80-135(185)243)165(275)218-119(72-90(8)9)166(276)229-144(91(10)11)172(282)230-145(96(16)236)173(283)214-109(31-23-65-199-181(193)194)150(260)210-111(51-56-133(183)241)149(259)205-101(27-20-62-196-178(187)188)78-136(244)207-127(177(287)288)76-100-41-49-106(240)50-42-100/h35-50,82,86-96,101,107-132,143-145,234-240H,17-34,51-81,83-85,182,186H2,1-16H3,(H2,183,241)(H2,184,242)(H2,185,243)(H,195,201)(H,200,278)(H,202,266)(H,203,267)(H,204,258)(H,205,259)(H,206,245)(H,207,244)(H,208,268)(H,209,274)(H,210,260)(H,211,264)(H,212,279)(H,213,280)(H,214,283)(H,215,281)(H,216,265)(H,217,271)(H,218,275)(H,219,277)(H,220,261)(H,221,272)(H,222,273)(H,223,262)(H,224,269)(H,225,270)(H,226,263)(H,227,256)(H,228,257)(H,229,276)(H,230,282)(H,246,247)(H,248,249)(H,250,251)(H,252,253)(H,254,255)(H,287,288)(H4,187,188,196)(H4,189,190,197)(H4,191,192,198)(H4,193,194,199)/t92-,93-,94-,95-,96+,101+,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-,143-,144-,145-/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))
BDBM50466565
PNG
(CHEMBL4278746)
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)CC(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O |r|
Show InChI InChI=1S/C181H280N52O55/c1-17-92(12)143(186)171(281)215-115(28-18-19-61-182)175(285)232-67-25-33-131(232)169(279)212-112(53-58-139(248)249)148(258)204-95(15)174(284)231-66-24-32-130(231)168(278)200-83-137(245)206-110(52-57-138(246)247)153(263)226-126(81-142(254)255)157(267)203-94(14)147(257)228-129(85-235)176(286)233-68-26-34-132(233)170(280)213-114(55-60-141(252)253)154(264)211-113(54-59-140(250)251)155(265)216-117(70-88(4)5)159(269)224-124(79-134(184)242)164(274)209-107(29-21-63-197-179(189)190)151(261)220-121(74-98-37-45-104(238)46-38-98)162(272)221-120(73-97-35-43-103(237)44-36-97)156(266)202-93(13)146(256)227-128(84-234)167(277)219-116(69-87(2)3)158(268)208-108(30-22-64-198-180(191)192)152(262)223-123(77-102-82-195-86-201-102)163(273)222-122(75-99-39-47-105(239)48-40-99)161(271)217-118(71-89(6)7)160(270)225-125(80-135(185)243)165(275)218-119(72-90(8)9)166(276)229-144(91(10)11)172(282)230-145(96(16)236)173(283)214-109(31-23-65-199-181(193)194)150(260)210-111(51-56-133(183)241)149(259)205-101(27-20-62-196-178(187)188)78-136(244)207-127(177(287)288)76-100-41-49-106(240)50-42-100/h35-50,82,86-96,101,107-132,143-145,234-240H,17-34,51-81,83-85,182,186H2,1-16H3,(H2,183,241)(H2,184,242)(H2,185,243)(H,195,201)(H,200,278)(H,202,266)(H,203,267)(H,204,258)(H,205,259)(H,206,245)(H,207,244)(H,208,268)(H,209,274)(H,210,260)(H,211,264)(H,212,279)(H,213,280)(H,214,283)(H,215,281)(H,216,265)(H,217,271)(H,218,275)(H,219,277)(H,220,261)(H,221,272)(H,222,273)(H,223,262)(H,224,269)(H,225,270)(H,226,263)(H,227,256)(H,228,257)(H,229,276)(H,230,282)(H,246,247)(H,248,249)(H,250,251)(H,252,253)(H,254,255)(H,287,288)(H4,187,188,196)(H4,189,190,197)(H4,191,192,198)(H4,193,194,199)/t92-,93-,94-,95-,96+,101+,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-,143-,144-,145-/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