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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
BDBM50466539

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 5


(Homo sapiens (Human))
BDBM50466539
PNG
(CHEMBL4290891)
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](CC(=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)[C@@H](C)O |r|
Show InChI InChI=1S/C181H280N52O55/c1-17-92(12)144(186)172(282)214-115(27-18-19-61-182)175(285)232-67-25-33-132(232)170(280)212-112(53-58-140(248)249)148(258)204-95(15)174(284)231-66-24-32-131(231)169(279)200-83-138(245)206-110(52-57-139(246)247)153(263)226-127(81-143(254)255)158(268)203-94(14)147(257)229-130(85-235)176(286)233-68-26-34-133(233)171(281)213-114(55-60-142(252)253)155(265)211-113(54-59-141(250)251)156(266)216-118(70-88(4)5)160(270)224-125(78-135(184)242)165(275)209-107(29-21-63-197-179(189)190)150(260)220-122(74-98-37-45-103(238)46-38-98)163(273)221-121(73-97-35-43-102(237)44-36-97)157(267)202-93(13)146(256)228-129(84-234)168(278)219-117(69-87(2)3)159(269)208-108(30-22-64-198-180(191)192)151(261)223-124(77-101-82-195-86-201-101)164(274)222-123(75-99-39-47-104(239)48-40-99)162(272)217-119(71-89(6)7)161(271)225-126(79-136(185)243)166(276)218-120(72-90(8)9)167(277)230-145(91(10)11)173(283)215-116(96(16)236)80-137(244)205-106(28-20-62-196-178(187)188)149(259)210-111(51-56-134(183)241)154(264)207-109(31-23-65-199-181(193)194)152(262)227-128(177(287)288)76-100-41-49-105(240)50-42-100/h35-50,82,86-96,106-133,144-145,234-240H,17-34,51-81,83-85,182,186H2,1-16H3,(H2,183,241)(H2,184,242)(H2,185,243)(H,195,201)(H,200,279)(H,202,267)(H,203,268)(H,204,258)(H,205,244)(H,206,245)(H,207,264)(H,208,269)(H,209,275)(H,210,259)(H,211,265)(H,212,280)(H,213,281)(H,214,282)(H,215,283)(H,216,266)(H,217,272)(H,218,276)(H,219,278)(H,220,260)(H,221,273)(H,222,274)(H,223,261)(H,224,270)(H,225,271)(H,226,263)(H,227,262)(H,228,256)(H,229,257)(H,230,277)(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+,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-,133-,144-,145-/m0/s1
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
32n/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))
BDBM50466539
PNG
(CHEMBL4290891)
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](CC(=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)[C@@H](C)O |r|
Show InChI InChI=1S/C181H280N52O55/c1-17-92(12)144(186)172(282)214-115(27-18-19-61-182)175(285)232-67-25-33-132(232)170(280)212-112(53-58-140(248)249)148(258)204-95(15)174(284)231-66-24-32-131(231)169(279)200-83-138(245)206-110(52-57-139(246)247)153(263)226-127(81-143(254)255)158(268)203-94(14)147(257)229-130(85-235)176(286)233-68-26-34-133(233)171(281)213-114(55-60-142(252)253)155(265)211-113(54-59-141(250)251)156(266)216-118(70-88(4)5)160(270)224-125(78-135(184)242)165(275)209-107(29-21-63-197-179(189)190)150(260)220-122(74-98-37-45-103(238)46-38-98)163(273)221-121(73-97-35-43-102(237)44-36-97)157(267)202-93(13)146(256)228-129(84-234)168(278)219-117(69-87(2)3)159(269)208-108(30-22-64-198-180(191)192)151(261)223-124(77-101-82-195-86-201-101)164(274)222-123(75-99-39-47-104(239)48-40-99)162(272)217-119(71-89(6)7)161(271)225-126(79-136(185)243)166(276)218-120(72-90(8)9)167(277)230-145(91(10)11)173(283)215-116(96(16)236)80-137(244)205-106(28-20-62-196-178(187)188)149(259)210-111(51-56-134(183)241)154(264)207-109(31-23-65-199-181(193)194)152(262)227-128(177(287)288)76-100-41-49-105(240)50-42-100/h35-50,82,86-96,106-133,144-145,234-240H,17-34,51-81,83-85,182,186H2,1-16H3,(H2,183,241)(H2,184,242)(H2,185,243)(H,195,201)(H,200,279)(H,202,267)(H,203,268)(H,204,258)(H,205,244)(H,206,245)(H,207,264)(H,208,269)(H,209,275)(H,210,259)(H,211,265)(H,212,280)(H,213,281)(H,214,282)(H,215,283)(H,216,266)(H,217,272)(H,218,276)(H,219,278)(H,220,260)(H,221,273)(H,222,274)(H,223,261)(H,224,270)(H,225,271)(H,226,263)(H,227,262)(H,228,256)(H,229,257)(H,230,277)(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+,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-,133-,144-,145-/m0/s1
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
32n/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 2


(Homo sapiens (Human))
BDBM50466539
PNG
(CHEMBL4290891)
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](CC(=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)[C@@H](C)O |r|
Show InChI InChI=1S/C181H280N52O55/c1-17-92(12)144(186)172(282)214-115(27-18-19-61-182)175(285)232-67-25-33-132(232)170(280)212-112(53-58-140(248)249)148(258)204-95(15)174(284)231-66-24-32-131(231)169(279)200-83-138(245)206-110(52-57-139(246)247)153(263)226-127(81-143(254)255)158(268)203-94(14)147(257)229-130(85-235)176(286)233-68-26-34-133(233)171(281)213-114(55-60-142(252)253)155(265)211-113(54-59-141(250)251)156(266)216-118(70-88(4)5)160(270)224-125(78-135(184)242)165(275)209-107(29-21-63-197-179(189)190)150(260)220-122(74-98-37-45-103(238)46-38-98)163(273)221-121(73-97-35-43-102(237)44-36-97)157(267)202-93(13)146(256)228-129(84-234)168(278)219-117(69-87(2)3)159(269)208-108(30-22-64-198-180(191)192)151(261)223-124(77-101-82-195-86-201-101)164(274)222-123(75-99-39-47-104(239)48-40-99)162(272)217-119(71-89(6)7)161(271)225-126(79-136(185)243)166(276)218-120(72-90(8)9)167(277)230-145(91(10)11)173(283)215-116(96(16)236)80-137(244)205-106(28-20-62-196-178(187)188)149(259)210-111(51-56-134(183)241)154(264)207-109(31-23-65-199-181(193)194)152(262)227-128(177(287)288)76-100-41-49-105(240)50-42-100/h35-50,82,86-96,106-133,144-145,234-240H,17-34,51-81,83-85,182,186H2,1-16H3,(H2,183,241)(H2,184,242)(H2,185,243)(H,195,201)(H,200,279)(H,202,267)(H,203,268)(H,204,258)(H,205,244)(H,206,245)(H,207,264)(H,208,269)(H,209,275)(H,210,259)(H,211,265)(H,212,280)(H,213,281)(H,214,282)(H,215,283)(H,216,266)(H,217,272)(H,218,276)(H,219,278)(H,220,260)(H,221,273)(H,222,274)(H,223,261)(H,224,270)(H,225,271)(H,226,263)(H,227,262)(H,228,256)(H,229,257)(H,230,277)(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+,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-,133-,144-,145-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
158n/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))
BDBM50466539
PNG
(CHEMBL4290891)
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](CC(=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)[C@@H](C)O |r|
Show InChI InChI=1S/C181H280N52O55/c1-17-92(12)144(186)172(282)214-115(27-18-19-61-182)175(285)232-67-25-33-132(232)170(280)212-112(53-58-140(248)249)148(258)204-95(15)174(284)231-66-24-32-131(231)169(279)200-83-138(245)206-110(52-57-139(246)247)153(263)226-127(81-143(254)255)158(268)203-94(14)147(257)229-130(85-235)176(286)233-68-26-34-133(233)171(281)213-114(55-60-142(252)253)155(265)211-113(54-59-141(250)251)156(266)216-118(70-88(4)5)160(270)224-125(78-135(184)242)165(275)209-107(29-21-63-197-179(189)190)150(260)220-122(74-98-37-45-103(238)46-38-98)163(273)221-121(73-97-35-43-102(237)44-36-97)157(267)202-93(13)146(256)228-129(84-234)168(278)219-117(69-87(2)3)159(269)208-108(30-22-64-198-180(191)192)151(261)223-124(77-101-82-195-86-201-101)164(274)222-123(75-99-39-47-104(239)48-40-99)162(272)217-119(71-89(6)7)161(271)225-126(79-136(185)243)166(276)218-120(72-90(8)9)167(277)230-145(91(10)11)173(283)215-116(96(16)236)80-137(244)205-106(28-20-62-196-178(187)188)149(259)210-111(51-56-134(183)241)154(264)207-109(31-23-65-199-181(193)194)152(262)227-128(177(287)288)76-100-41-49-105(240)50-42-100/h35-50,82,86-96,106-133,144-145,234-240H,17-34,51-81,83-85,182,186H2,1-16H3,(H2,183,241)(H2,184,242)(H2,185,243)(H,195,201)(H,200,279)(H,202,267)(H,203,268)(H,204,258)(H,205,244)(H,206,245)(H,207,264)(H,208,269)(H,209,275)(H,210,259)(H,211,265)(H,212,280)(H,213,281)(H,214,282)(H,215,283)(H,216,266)(H,217,272)(H,218,276)(H,219,278)(H,220,260)(H,221,273)(H,222,274)(H,223,261)(H,224,270)(H,225,271)(H,226,263)(H,227,262)(H,228,256)(H,229,257)(H,230,277)(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+,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-,133-,144-,145-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
160n/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))
BDBM50466539
PNG
(CHEMBL4290891)
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](CC(=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)[C@@H](C)O |r|
Show InChI InChI=1S/C181H280N52O55/c1-17-92(12)144(186)172(282)214-115(27-18-19-61-182)175(285)232-67-25-33-132(232)170(280)212-112(53-58-140(248)249)148(258)204-95(15)174(284)231-66-24-32-131(231)169(279)200-83-138(245)206-110(52-57-139(246)247)153(263)226-127(81-143(254)255)158(268)203-94(14)147(257)229-130(85-235)176(286)233-68-26-34-133(233)171(281)213-114(55-60-142(252)253)155(265)211-113(54-59-141(250)251)156(266)216-118(70-88(4)5)160(270)224-125(78-135(184)242)165(275)209-107(29-21-63-197-179(189)190)150(260)220-122(74-98-37-45-103(238)46-38-98)163(273)221-121(73-97-35-43-102(237)44-36-97)157(267)202-93(13)146(256)228-129(84-234)168(278)219-117(69-87(2)3)159(269)208-108(30-22-64-198-180(191)192)151(261)223-124(77-101-82-195-86-201-101)164(274)222-123(75-99-39-47-104(239)48-40-99)162(272)217-119(71-89(6)7)161(271)225-126(79-136(185)243)166(276)218-120(72-90(8)9)167(277)230-145(91(10)11)173(283)215-116(96(16)236)80-137(244)205-106(28-20-62-196-178(187)188)149(259)210-111(51-56-134(183)241)154(264)207-109(31-23-65-199-181(193)194)152(262)227-128(177(287)288)76-100-41-49-105(240)50-42-100/h35-50,82,86-96,106-133,144-145,234-240H,17-34,51-81,83-85,182,186H2,1-16H3,(H2,183,241)(H2,184,242)(H2,185,243)(H,195,201)(H,200,279)(H,202,267)(H,203,268)(H,204,258)(H,205,244)(H,206,245)(H,207,264)(H,208,269)(H,209,275)(H,210,259)(H,211,265)(H,212,280)(H,213,281)(H,214,282)(H,215,283)(H,216,266)(H,217,272)(H,218,276)(H,219,278)(H,220,260)(H,221,273)(H,222,274)(H,223,261)(H,224,270)(H,225,271)(H,226,263)(H,227,262)(H,228,256)(H,229,257)(H,230,277)(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+,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-,133-,144-,145-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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]-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))
BDBM50466539
PNG
(CHEMBL4290891)
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](CC(=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)[C@@H](C)O |r|
Show InChI InChI=1S/C181H280N52O55/c1-17-92(12)144(186)172(282)214-115(27-18-19-61-182)175(285)232-67-25-33-132(232)170(280)212-112(53-58-140(248)249)148(258)204-95(15)174(284)231-66-24-32-131(231)169(279)200-83-138(245)206-110(52-57-139(246)247)153(263)226-127(81-143(254)255)158(268)203-94(14)147(257)229-130(85-235)176(286)233-68-26-34-133(233)171(281)213-114(55-60-142(252)253)155(265)211-113(54-59-141(250)251)156(266)216-118(70-88(4)5)160(270)224-125(78-135(184)242)165(275)209-107(29-21-63-197-179(189)190)150(260)220-122(74-98-37-45-103(238)46-38-98)163(273)221-121(73-97-35-43-102(237)44-36-97)157(267)202-93(13)146(256)228-129(84-234)168(278)219-117(69-87(2)3)159(269)208-108(30-22-64-198-180(191)192)151(261)223-124(77-101-82-195-86-201-101)164(274)222-123(75-99-39-47-104(239)48-40-99)162(272)217-119(71-89(6)7)161(271)225-126(79-136(185)243)166(276)218-120(72-90(8)9)167(277)230-145(91(10)11)173(283)215-116(96(16)236)80-137(244)205-106(28-20-62-196-178(187)188)149(259)210-111(51-56-134(183)241)154(264)207-109(31-23-65-199-181(193)194)152(262)227-128(177(287)288)76-100-41-49-105(240)50-42-100/h35-50,82,86-96,106-133,144-145,234-240H,17-34,51-81,83-85,182,186H2,1-16H3,(H2,183,241)(H2,184,242)(H2,185,243)(H,195,201)(H,200,279)(H,202,267)(H,203,268)(H,204,258)(H,205,244)(H,206,245)(H,207,264)(H,208,269)(H,209,275)(H,210,259)(H,211,265)(H,212,280)(H,213,281)(H,214,282)(H,215,283)(H,216,266)(H,217,272)(H,218,276)(H,219,278)(H,220,260)(H,221,273)(H,222,274)(H,223,261)(H,224,270)(H,225,271)(H,226,263)(H,227,262)(H,228,256)(H,229,257)(H,230,277)(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+,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-,133-,144-,145-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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]-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))
BDBM50466539
PNG
(CHEMBL4290891)
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](CC(=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)[C@@H](C)O |r|
Show InChI InChI=1S/C181H280N52O55/c1-17-92(12)144(186)172(282)214-115(27-18-19-61-182)175(285)232-67-25-33-132(232)170(280)212-112(53-58-140(248)249)148(258)204-95(15)174(284)231-66-24-32-131(231)169(279)200-83-138(245)206-110(52-57-139(246)247)153(263)226-127(81-143(254)255)158(268)203-94(14)147(257)229-130(85-235)176(286)233-68-26-34-133(233)171(281)213-114(55-60-142(252)253)155(265)211-113(54-59-141(250)251)156(266)216-118(70-88(4)5)160(270)224-125(78-135(184)242)165(275)209-107(29-21-63-197-179(189)190)150(260)220-122(74-98-37-45-103(238)46-38-98)163(273)221-121(73-97-35-43-102(237)44-36-97)157(267)202-93(13)146(256)228-129(84-234)168(278)219-117(69-87(2)3)159(269)208-108(30-22-64-198-180(191)192)151(261)223-124(77-101-82-195-86-201-101)164(274)222-123(75-99-39-47-104(239)48-40-99)162(272)217-119(71-89(6)7)161(271)225-126(79-136(185)243)166(276)218-120(72-90(8)9)167(277)230-145(91(10)11)173(283)215-116(96(16)236)80-137(244)205-106(28-20-62-196-178(187)188)149(259)210-111(51-56-134(183)241)154(264)207-109(31-23-65-199-181(193)194)152(262)227-128(177(287)288)76-100-41-49-105(240)50-42-100/h35-50,82,86-96,106-133,144-145,234-240H,17-34,51-81,83-85,182,186H2,1-16H3,(H2,183,241)(H2,184,242)(H2,185,243)(H,195,201)(H,200,279)(H,202,267)(H,203,268)(H,204,258)(H,205,244)(H,206,245)(H,207,264)(H,208,269)(H,209,275)(H,210,259)(H,211,265)(H,212,280)(H,213,281)(H,214,282)(H,215,283)(H,216,266)(H,217,272)(H,218,276)(H,219,278)(H,220,260)(H,221,273)(H,222,274)(H,223,261)(H,224,270)(H,225,271)(H,226,263)(H,227,262)(H,228,256)(H,229,257)(H,230,277)(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+,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-,133-,144-,145-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
6.30E+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 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))
BDBM50466539
PNG
(CHEMBL4290891)
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](CC(=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)[C@@H](C)O |r|
Show InChI InChI=1S/C181H280N52O55/c1-17-92(12)144(186)172(282)214-115(27-18-19-61-182)175(285)232-67-25-33-132(232)170(280)212-112(53-58-140(248)249)148(258)204-95(15)174(284)231-66-24-32-131(231)169(279)200-83-138(245)206-110(52-57-139(246)247)153(263)226-127(81-143(254)255)158(268)203-94(14)147(257)229-130(85-235)176(286)233-68-26-34-133(233)171(281)213-114(55-60-142(252)253)155(265)211-113(54-59-141(250)251)156(266)216-118(70-88(4)5)160(270)224-125(78-135(184)242)165(275)209-107(29-21-63-197-179(189)190)150(260)220-122(74-98-37-45-103(238)46-38-98)163(273)221-121(73-97-35-43-102(237)44-36-97)157(267)202-93(13)146(256)228-129(84-234)168(278)219-117(69-87(2)3)159(269)208-108(30-22-64-198-180(191)192)151(261)223-124(77-101-82-195-86-201-101)164(274)222-123(75-99-39-47-104(239)48-40-99)162(272)217-119(71-89(6)7)161(271)225-126(79-136(185)243)166(276)218-120(72-90(8)9)167(277)230-145(91(10)11)173(283)215-116(96(16)236)80-137(244)205-106(28-20-62-196-178(187)188)149(259)210-111(51-56-134(183)241)154(264)207-109(31-23-65-199-181(193)194)152(262)227-128(177(287)288)76-100-41-49-105(240)50-42-100/h35-50,82,86-96,106-133,144-145,234-240H,17-34,51-81,83-85,182,186H2,1-16H3,(H2,183,241)(H2,184,242)(H2,185,243)(H,195,201)(H,200,279)(H,202,267)(H,203,268)(H,204,258)(H,205,244)(H,206,245)(H,207,264)(H,208,269)(H,209,275)(H,210,259)(H,211,265)(H,212,280)(H,213,281)(H,214,282)(H,215,283)(H,216,266)(H,217,272)(H,218,276)(H,219,278)(H,220,260)(H,221,273)(H,222,274)(H,223,261)(H,224,270)(H,225,271)(H,226,263)(H,227,262)(H,228,256)(H,229,257)(H,230,277)(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+,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-,133-,144-,145-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
6.31E+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 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