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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
BDBM50466550

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))
BDBM50466550
PNG
(CHEMBL4279133)
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](CC(O)=O)Cc1ccc(O)cc1 |r|
Show InChI InChI=1S/C181H280N52O55/c1-17-92(12)143(186)172(283)215-116(27-18-19-61-182)176(287)232-67-25-33-131(232)170(281)212-113(53-58-138(247)248)148(259)204-95(15)175(286)231-66-24-32-130(231)169(280)200-83-136(244)206-111(52-57-137(245)246)153(264)226-127(81-142(255)256)158(269)203-94(14)147(258)228-129(85-235)177(288)233-68-26-34-132(233)171(282)213-115(55-60-140(251)252)155(266)211-114(54-59-139(249)250)156(267)216-118(70-88(4)5)160(271)224-125(79-134(184)242)165(276)209-108(29-21-63-197-179(189)190)151(262)220-122(75-99-39-47-105(239)48-40-99)163(274)221-121(74-98-37-45-104(238)46-38-98)157(268)202-93(13)146(257)227-128(84-234)168(279)219-117(69-87(2)3)159(270)208-109(30-22-64-198-180(191)192)152(263)223-124(77-102-82-195-86-201-102)164(275)222-123(76-100-41-49-106(240)50-42-100)162(273)217-119(71-89(6)7)161(272)225-126(80-135(185)243)166(277)218-120(72-90(8)9)167(278)229-144(91(10)11)173(284)230-145(96(16)236)174(285)214-110(31-23-65-199-181(193)194)150(261)210-112(51-56-133(183)241)154(265)207-107(28-20-62-196-178(187)188)149(260)205-101(78-141(253)254)73-97-35-43-103(237)44-36-97/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,200,280)(H,202,268)(H,203,269)(H,204,259)(H,205,260)(H,206,244)(H,207,265)(H,208,270)(H,209,276)(H,210,261)(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,220,262)(H,221,274)(H,222,275)(H,223,263)(H,224,271)(H,225,272)(H,226,264)(H,227,257)(H,228,258)(H,229,278)(H,230,284)(H,245,246)(H,247,248)(H,249,250)(H,251,252)(H,253,254)(H,255,256)(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
79n/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))
BDBM50466550
PNG
(CHEMBL4279133)
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](CC(O)=O)Cc1ccc(O)cc1 |r|
Show InChI InChI=1S/C181H280N52O55/c1-17-92(12)143(186)172(283)215-116(27-18-19-61-182)176(287)232-67-25-33-131(232)170(281)212-113(53-58-138(247)248)148(259)204-95(15)175(286)231-66-24-32-130(231)169(280)200-83-136(244)206-111(52-57-137(245)246)153(264)226-127(81-142(255)256)158(269)203-94(14)147(258)228-129(85-235)177(288)233-68-26-34-132(233)171(282)213-115(55-60-140(251)252)155(266)211-114(54-59-139(249)250)156(267)216-118(70-88(4)5)160(271)224-125(79-134(184)242)165(276)209-108(29-21-63-197-179(189)190)151(262)220-122(75-99-39-47-105(239)48-40-99)163(274)221-121(74-98-37-45-104(238)46-38-98)157(268)202-93(13)146(257)227-128(84-234)168(279)219-117(69-87(2)3)159(270)208-109(30-22-64-198-180(191)192)152(263)223-124(77-102-82-195-86-201-102)164(275)222-123(76-100-41-49-106(240)50-42-100)162(273)217-119(71-89(6)7)161(272)225-126(80-135(185)243)166(277)218-120(72-90(8)9)167(278)229-144(91(10)11)173(284)230-145(96(16)236)174(285)214-110(31-23-65-199-181(193)194)150(261)210-112(51-56-133(183)241)154(265)207-107(28-20-62-196-178(187)188)149(260)205-101(78-141(253)254)73-97-35-43-103(237)44-36-97/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,200,280)(H,202,268)(H,203,269)(H,204,259)(H,205,260)(H,206,244)(H,207,265)(H,208,270)(H,209,276)(H,210,261)(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,220,262)(H,221,274)(H,222,275)(H,223,263)(H,224,271)(H,225,272)(H,226,264)(H,227,257)(H,228,258)(H,229,278)(H,230,284)(H,245,246)(H,247,248)(H,249,250)(H,251,252)(H,253,254)(H,255,256)(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
79n/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))
BDBM50466550
PNG
(CHEMBL4279133)
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](CC(O)=O)Cc1ccc(O)cc1 |r|
Show InChI InChI=1S/C181H280N52O55/c1-17-92(12)143(186)172(283)215-116(27-18-19-61-182)176(287)232-67-25-33-131(232)170(281)212-113(53-58-138(247)248)148(259)204-95(15)175(286)231-66-24-32-130(231)169(280)200-83-136(244)206-111(52-57-137(245)246)153(264)226-127(81-142(255)256)158(269)203-94(14)147(258)228-129(85-235)177(288)233-68-26-34-132(233)171(282)213-115(55-60-140(251)252)155(266)211-114(54-59-139(249)250)156(267)216-118(70-88(4)5)160(271)224-125(79-134(184)242)165(276)209-108(29-21-63-197-179(189)190)151(262)220-122(75-99-39-47-105(239)48-40-99)163(274)221-121(74-98-37-45-104(238)46-38-98)157(268)202-93(13)146(257)227-128(84-234)168(279)219-117(69-87(2)3)159(270)208-109(30-22-64-198-180(191)192)152(263)223-124(77-102-82-195-86-201-102)164(275)222-123(76-100-41-49-106(240)50-42-100)162(273)217-119(71-89(6)7)161(272)225-126(80-135(185)243)166(277)218-120(72-90(8)9)167(278)229-144(91(10)11)173(284)230-145(96(16)236)174(285)214-110(31-23-65-199-181(193)194)150(261)210-112(51-56-133(183)241)154(265)207-107(28-20-62-196-178(187)188)149(260)205-101(78-141(253)254)73-97-35-43-103(237)44-36-97/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,200,280)(H,202,268)(H,203,269)(H,204,259)(H,205,260)(H,206,244)(H,207,265)(H,208,270)(H,209,276)(H,210,261)(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,220,262)(H,221,274)(H,222,275)(H,223,263)(H,224,271)(H,225,272)(H,226,264)(H,227,257)(H,228,258)(H,229,278)(H,230,284)(H,245,246)(H,247,248)(H,249,250)(H,251,252)(H,253,254)(H,255,256)(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
630n/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))
BDBM50466550
PNG
(CHEMBL4279133)
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](CC(O)=O)Cc1ccc(O)cc1 |r|
Show InChI InChI=1S/C181H280N52O55/c1-17-92(12)143(186)172(283)215-116(27-18-19-61-182)176(287)232-67-25-33-131(232)170(281)212-113(53-58-138(247)248)148(259)204-95(15)175(286)231-66-24-32-130(231)169(280)200-83-136(244)206-111(52-57-137(245)246)153(264)226-127(81-142(255)256)158(269)203-94(14)147(258)228-129(85-235)177(288)233-68-26-34-132(233)171(282)213-115(55-60-140(251)252)155(266)211-114(54-59-139(249)250)156(267)216-118(70-88(4)5)160(271)224-125(79-134(184)242)165(276)209-108(29-21-63-197-179(189)190)151(262)220-122(75-99-39-47-105(239)48-40-99)163(274)221-121(74-98-37-45-104(238)46-38-98)157(268)202-93(13)146(257)227-128(84-234)168(279)219-117(69-87(2)3)159(270)208-109(30-22-64-198-180(191)192)152(263)223-124(77-102-82-195-86-201-102)164(275)222-123(76-100-41-49-106(240)50-42-100)162(273)217-119(71-89(6)7)161(272)225-126(80-135(185)243)166(277)218-120(72-90(8)9)167(278)229-144(91(10)11)173(284)230-145(96(16)236)174(285)214-110(31-23-65-199-181(193)194)150(261)210-112(51-56-133(183)241)154(265)207-107(28-20-62-196-178(187)188)149(260)205-101(78-141(253)254)73-97-35-43-103(237)44-36-97/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,200,280)(H,202,268)(H,203,269)(H,204,259)(H,205,260)(H,206,244)(H,207,265)(H,208,270)(H,209,276)(H,210,261)(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,220,262)(H,221,274)(H,222,275)(H,223,263)(H,224,271)(H,225,272)(H,226,264)(H,227,257)(H,228,258)(H,229,278)(H,230,284)(H,245,246)(H,247,248)(H,249,250)(H,251,252)(H,253,254)(H,255,256)(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
631n/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))
BDBM50466550
PNG
(CHEMBL4279133)
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](CC(O)=O)Cc1ccc(O)cc1 |r|
Show InChI InChI=1S/C181H280N52O55/c1-17-92(12)143(186)172(283)215-116(27-18-19-61-182)176(287)232-67-25-33-131(232)170(281)212-113(53-58-138(247)248)148(259)204-95(15)175(286)231-66-24-32-130(231)169(280)200-83-136(244)206-111(52-57-137(245)246)153(264)226-127(81-142(255)256)158(269)203-94(14)147(258)228-129(85-235)177(288)233-68-26-34-132(233)171(282)213-115(55-60-140(251)252)155(266)211-114(54-59-139(249)250)156(267)216-118(70-88(4)5)160(271)224-125(79-134(184)242)165(276)209-108(29-21-63-197-179(189)190)151(262)220-122(75-99-39-47-105(239)48-40-99)163(274)221-121(74-98-37-45-104(238)46-38-98)157(268)202-93(13)146(257)227-128(84-234)168(279)219-117(69-87(2)3)159(270)208-109(30-22-64-198-180(191)192)152(263)223-124(77-102-82-195-86-201-102)164(275)222-123(76-100-41-49-106(240)50-42-100)162(273)217-119(71-89(6)7)161(272)225-126(80-135(185)243)166(277)218-120(72-90(8)9)167(278)229-144(91(10)11)173(284)230-145(96(16)236)174(285)214-110(31-23-65-199-181(193)194)150(261)210-112(51-56-133(183)241)154(265)207-107(28-20-62-196-178(187)188)149(260)205-101(78-141(253)254)73-97-35-43-103(237)44-36-97/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,200,280)(H,202,268)(H,203,269)(H,204,259)(H,205,260)(H,206,244)(H,207,265)(H,208,270)(H,209,276)(H,210,261)(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,220,262)(H,221,274)(H,222,275)(H,223,263)(H,224,271)(H,225,272)(H,226,264)(H,227,257)(H,228,258)(H,229,278)(H,230,284)(H,245,246)(H,247,248)(H,249,250)(H,251,252)(H,253,254)(H,255,256)(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
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))
BDBM50466550
PNG
(CHEMBL4279133)
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](CC(O)=O)Cc1ccc(O)cc1 |r|
Show InChI InChI=1S/C181H280N52O55/c1-17-92(12)143(186)172(283)215-116(27-18-19-61-182)176(287)232-67-25-33-131(232)170(281)212-113(53-58-138(247)248)148(259)204-95(15)175(286)231-66-24-32-130(231)169(280)200-83-136(244)206-111(52-57-137(245)246)153(264)226-127(81-142(255)256)158(269)203-94(14)147(258)228-129(85-235)177(288)233-68-26-34-132(233)171(282)213-115(55-60-140(251)252)155(266)211-114(54-59-139(249)250)156(267)216-118(70-88(4)5)160(271)224-125(79-134(184)242)165(276)209-108(29-21-63-197-179(189)190)151(262)220-122(75-99-39-47-105(239)48-40-99)163(274)221-121(74-98-37-45-104(238)46-38-98)157(268)202-93(13)146(257)227-128(84-234)168(279)219-117(69-87(2)3)159(270)208-109(30-22-64-198-180(191)192)152(263)223-124(77-102-82-195-86-201-102)164(275)222-123(76-100-41-49-106(240)50-42-100)162(273)217-119(71-89(6)7)161(272)225-126(80-135(185)243)166(277)218-120(72-90(8)9)167(278)229-144(91(10)11)173(284)230-145(96(16)236)174(285)214-110(31-23-65-199-181(193)194)150(261)210-112(51-56-133(183)241)154(265)207-107(28-20-62-196-178(187)188)149(260)205-101(78-141(253)254)73-97-35-43-103(237)44-36-97/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,200,280)(H,202,268)(H,203,269)(H,204,259)(H,205,260)(H,206,244)(H,207,265)(H,208,270)(H,209,276)(H,210,261)(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,220,262)(H,221,274)(H,222,275)(H,223,263)(H,224,271)(H,225,272)(H,226,264)(H,227,257)(H,228,258)(H,229,278)(H,230,284)(H,245,246)(H,247,248)(H,249,250)(H,251,252)(H,253,254)(H,255,256)(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
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))
BDBM50466550
PNG
(CHEMBL4279133)
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](CC(O)=O)Cc1ccc(O)cc1 |r|
Show InChI InChI=1S/C181H280N52O55/c1-17-92(12)143(186)172(283)215-116(27-18-19-61-182)176(287)232-67-25-33-131(232)170(281)212-113(53-58-138(247)248)148(259)204-95(15)175(286)231-66-24-32-130(231)169(280)200-83-136(244)206-111(52-57-137(245)246)153(264)226-127(81-142(255)256)158(269)203-94(14)147(258)228-129(85-235)177(288)233-68-26-34-132(233)171(282)213-115(55-60-140(251)252)155(266)211-114(54-59-139(249)250)156(267)216-118(70-88(4)5)160(271)224-125(79-134(184)242)165(276)209-108(29-21-63-197-179(189)190)151(262)220-122(75-99-39-47-105(239)48-40-99)163(274)221-121(74-98-37-45-104(238)46-38-98)157(268)202-93(13)146(257)227-128(84-234)168(279)219-117(69-87(2)3)159(270)208-109(30-22-64-198-180(191)192)152(263)223-124(77-102-82-195-86-201-102)164(275)222-123(76-100-41-49-106(240)50-42-100)162(273)217-119(71-89(6)7)161(272)225-126(80-135(185)243)166(277)218-120(72-90(8)9)167(278)229-144(91(10)11)173(284)230-145(96(16)236)174(285)214-110(31-23-65-199-181(193)194)150(261)210-112(51-56-133(183)241)154(265)207-107(28-20-62-196-178(187)188)149(260)205-101(78-141(253)254)73-97-35-43-103(237)44-36-97/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,200,280)(H,202,268)(H,203,269)(H,204,259)(H,205,260)(H,206,244)(H,207,265)(H,208,270)(H,209,276)(H,210,261)(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,220,262)(H,221,274)(H,222,275)(H,223,263)(H,224,271)(H,225,272)(H,226,264)(H,227,257)(H,228,258)(H,229,278)(H,230,284)(H,245,246)(H,247,248)(H,249,250)(H,251,252)(H,253,254)(H,255,256)(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
3.98E+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))
BDBM50466550
PNG
(CHEMBL4279133)
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](CC(O)=O)Cc1ccc(O)cc1 |r|
Show InChI InChI=1S/C181H280N52O55/c1-17-92(12)143(186)172(283)215-116(27-18-19-61-182)176(287)232-67-25-33-131(232)170(281)212-113(53-58-138(247)248)148(259)204-95(15)175(286)231-66-24-32-130(231)169(280)200-83-136(244)206-111(52-57-137(245)246)153(264)226-127(81-142(255)256)158(269)203-94(14)147(258)228-129(85-235)177(288)233-68-26-34-132(233)171(282)213-115(55-60-140(251)252)155(266)211-114(54-59-139(249)250)156(267)216-118(70-88(4)5)160(271)224-125(79-134(184)242)165(276)209-108(29-21-63-197-179(189)190)151(262)220-122(75-99-39-47-105(239)48-40-99)163(274)221-121(74-98-37-45-104(238)46-38-98)157(268)202-93(13)146(257)227-128(84-234)168(279)219-117(69-87(2)3)159(270)208-109(30-22-64-198-180(191)192)152(263)223-124(77-102-82-195-86-201-102)164(275)222-123(76-100-41-49-106(240)50-42-100)162(273)217-119(71-89(6)7)161(272)225-126(80-135(185)243)166(277)218-120(72-90(8)9)167(278)229-144(91(10)11)173(284)230-145(96(16)236)174(285)214-110(31-23-65-199-181(193)194)150(261)210-112(51-56-133(183)241)154(265)207-107(28-20-62-196-178(187)188)149(260)205-101(78-141(253)254)73-97-35-43-103(237)44-36-97/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,200,280)(H,202,268)(H,203,269)(H,204,259)(H,205,260)(H,206,244)(H,207,265)(H,208,270)(H,209,276)(H,210,261)(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,220,262)(H,221,274)(H,222,275)(H,223,263)(H,224,271)(H,225,272)(H,226,264)(H,227,257)(H,228,258)(H,229,278)(H,230,284)(H,245,246)(H,247,248)(H,249,250)(H,251,252)(H,253,254)(H,255,256)(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
4.00E+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 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