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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
BDBM50466557

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))
BDBM50466557
PNG
(CHEMBL4290615)
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)[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O |r|
Show InChI InChI=1S/C181H280N52O55/c1-18-92(12)142(186)171(281)213-114(28-19-20-62-182)174(284)232-68-26-34-131(232)169(279)211-111(54-59-138(247)248)147(257)204-95(15)173(283)231-67-25-33-130(231)167(277)200-83-136(244)205-109(53-58-137(245)246)151(261)224-125(81-141(253)254)156(266)203-94(14)146(256)227-128(85-235)175(285)233-69-27-35-132(233)170(280)212-113(56-61-140(251)252)153(263)209-112(55-60-139(249)250)154(264)214-116(71-88(4)5)158(268)222-123(79-134(184)242)163(273)208-106(29-21-63-196-178(187)188)148(258)218-120(75-98-38-46-103(238)47-39-98)161(271)219-119(74-97-36-44-102(237)45-37-97)155(265)202-93(13)145(255)226-127(84-234)166(276)217-115(70-87(2)3)157(267)207-107(30-22-64-197-179(189)190)149(259)221-122(78-101-82-195-86-201-101)162(272)220-121(76-99-40-48-104(239)49-41-99)160(270)215-117(72-89(6)7)159(269)223-124(80-135(185)243)164(274)216-118(73-90(8)9)165(275)228-143(91(10)11)172(282)229-144(96(16)236)176(286)230(17)129(32-24-66-199-181(193)194)168(278)210-110(52-57-133(183)241)152(262)206-108(31-23-65-198-180(191)192)150(260)225-126(177(287)288)77-100-42-50-105(240)51-43-100/h36-51,82,86-96,106-132,142-144,234-240H,18-35,52-81,83-85,182,186H2,1-17H3,(H2,183,241)(H2,184,242)(H2,185,243)(H,195,201)(H,200,277)(H,202,265)(H,203,266)(H,204,257)(H,205,244)(H,206,262)(H,207,267)(H,208,273)(H,209,263)(H,210,278)(H,211,279)(H,212,280)(H,213,281)(H,214,264)(H,215,270)(H,216,274)(H,217,276)(H,218,258)(H,219,271)(H,220,272)(H,221,259)(H,222,268)(H,223,269)(H,224,261)(H,225,260)(H,226,255)(H,227,256)(H,228,275)(H,229,282)(H,245,246)(H,247,248)(H,249,250)(H,251,252)(H,253,254)(H,287,288)(H4,187,188,196)(H4,189,190,197)(H4,191,192,198)(H4,193,194,199)/t92-,93-,94-,95-,96+,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,142-,143-,144-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
200n/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))
BDBM50466557
PNG
(CHEMBL4290615)
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)[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O |r|
Show InChI InChI=1S/C181H280N52O55/c1-18-92(12)142(186)171(281)213-114(28-19-20-62-182)174(284)232-68-26-34-131(232)169(279)211-111(54-59-138(247)248)147(257)204-95(15)173(283)231-67-25-33-130(231)167(277)200-83-136(244)205-109(53-58-137(245)246)151(261)224-125(81-141(253)254)156(266)203-94(14)146(256)227-128(85-235)175(285)233-69-27-35-132(233)170(280)212-113(56-61-140(251)252)153(263)209-112(55-60-139(249)250)154(264)214-116(71-88(4)5)158(268)222-123(79-134(184)242)163(273)208-106(29-21-63-196-178(187)188)148(258)218-120(75-98-38-46-103(238)47-39-98)161(271)219-119(74-97-36-44-102(237)45-37-97)155(265)202-93(13)145(255)226-127(84-234)166(276)217-115(70-87(2)3)157(267)207-107(30-22-64-197-179(189)190)149(259)221-122(78-101-82-195-86-201-101)162(272)220-121(76-99-40-48-104(239)49-41-99)160(270)215-117(72-89(6)7)159(269)223-124(80-135(185)243)164(274)216-118(73-90(8)9)165(275)228-143(91(10)11)172(282)229-144(96(16)236)176(286)230(17)129(32-24-66-199-181(193)194)168(278)210-110(52-57-133(183)241)152(262)206-108(31-23-65-198-180(191)192)150(260)225-126(177(287)288)77-100-42-50-105(240)51-43-100/h36-51,82,86-96,106-132,142-144,234-240H,18-35,52-81,83-85,182,186H2,1-17H3,(H2,183,241)(H2,184,242)(H2,185,243)(H,195,201)(H,200,277)(H,202,265)(H,203,266)(H,204,257)(H,205,244)(H,206,262)(H,207,267)(H,208,273)(H,209,263)(H,210,278)(H,211,279)(H,212,280)(H,213,281)(H,214,264)(H,215,270)(H,216,274)(H,217,276)(H,218,258)(H,219,271)(H,220,272)(H,221,259)(H,222,268)(H,223,269)(H,224,261)(H,225,260)(H,226,255)(H,227,256)(H,228,275)(H,229,282)(H,245,246)(H,247,248)(H,249,250)(H,251,252)(H,253,254)(H,287,288)(H4,187,188,196)(H4,189,190,197)(H4,191,192,198)(H4,193,194,199)/t92-,93-,94-,95-,96+,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,142-,143-,144-/m0/s1
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
200n/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))
BDBM50466557
PNG
(CHEMBL4290615)
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)[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O |r|
Show InChI InChI=1S/C181H280N52O55/c1-18-92(12)142(186)171(281)213-114(28-19-20-62-182)174(284)232-68-26-34-131(232)169(279)211-111(54-59-138(247)248)147(257)204-95(15)173(283)231-67-25-33-130(231)167(277)200-83-136(244)205-109(53-58-137(245)246)151(261)224-125(81-141(253)254)156(266)203-94(14)146(256)227-128(85-235)175(285)233-69-27-35-132(233)170(280)212-113(56-61-140(251)252)153(263)209-112(55-60-139(249)250)154(264)214-116(71-88(4)5)158(268)222-123(79-134(184)242)163(273)208-106(29-21-63-196-178(187)188)148(258)218-120(75-98-38-46-103(238)47-39-98)161(271)219-119(74-97-36-44-102(237)45-37-97)155(265)202-93(13)145(255)226-127(84-234)166(276)217-115(70-87(2)3)157(267)207-107(30-22-64-197-179(189)190)149(259)221-122(78-101-82-195-86-201-101)162(272)220-121(76-99-40-48-104(239)49-41-99)160(270)215-117(72-89(6)7)159(269)223-124(80-135(185)243)164(274)216-118(73-90(8)9)165(275)228-143(91(10)11)172(282)229-144(96(16)236)176(286)230(17)129(32-24-66-199-181(193)194)168(278)210-110(52-57-133(183)241)152(262)206-108(31-23-65-198-180(191)192)150(260)225-126(177(287)288)77-100-42-50-105(240)51-43-100/h36-51,82,86-96,106-132,142-144,234-240H,18-35,52-81,83-85,182,186H2,1-17H3,(H2,183,241)(H2,184,242)(H2,185,243)(H,195,201)(H,200,277)(H,202,265)(H,203,266)(H,204,257)(H,205,244)(H,206,262)(H,207,267)(H,208,273)(H,209,263)(H,210,278)(H,211,279)(H,212,280)(H,213,281)(H,214,264)(H,215,270)(H,216,274)(H,217,276)(H,218,258)(H,219,271)(H,220,272)(H,221,259)(H,222,268)(H,223,269)(H,224,261)(H,225,260)(H,226,255)(H,227,256)(H,228,275)(H,229,282)(H,245,246)(H,247,248)(H,249,250)(H,251,252)(H,253,254)(H,287,288)(H4,187,188,196)(H4,189,190,197)(H4,191,192,198)(H4,193,194,199)/t92-,93-,94-,95-,96+,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,142-,143-,144-/m0/s1
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
200n/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))
BDBM50466557
PNG
(CHEMBL4290615)
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)[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O |r|
Show InChI InChI=1S/C181H280N52O55/c1-18-92(12)142(186)171(281)213-114(28-19-20-62-182)174(284)232-68-26-34-131(232)169(279)211-111(54-59-138(247)248)147(257)204-95(15)173(283)231-67-25-33-130(231)167(277)200-83-136(244)205-109(53-58-137(245)246)151(261)224-125(81-141(253)254)156(266)203-94(14)146(256)227-128(85-235)175(285)233-69-27-35-132(233)170(280)212-113(56-61-140(251)252)153(263)209-112(55-60-139(249)250)154(264)214-116(71-88(4)5)158(268)222-123(79-134(184)242)163(273)208-106(29-21-63-196-178(187)188)148(258)218-120(75-98-38-46-103(238)47-39-98)161(271)219-119(74-97-36-44-102(237)45-37-97)155(265)202-93(13)145(255)226-127(84-234)166(276)217-115(70-87(2)3)157(267)207-107(30-22-64-197-179(189)190)149(259)221-122(78-101-82-195-86-201-101)162(272)220-121(76-99-40-48-104(239)49-41-99)160(270)215-117(72-89(6)7)159(269)223-124(80-135(185)243)164(274)216-118(73-90(8)9)165(275)228-143(91(10)11)172(282)229-144(96(16)236)176(286)230(17)129(32-24-66-199-181(193)194)168(278)210-110(52-57-133(183)241)152(262)206-108(31-23-65-198-180(191)192)150(260)225-126(177(287)288)77-100-42-50-105(240)51-43-100/h36-51,82,86-96,106-132,142-144,234-240H,18-35,52-81,83-85,182,186H2,1-17H3,(H2,183,241)(H2,184,242)(H2,185,243)(H,195,201)(H,200,277)(H,202,265)(H,203,266)(H,204,257)(H,205,244)(H,206,262)(H,207,267)(H,208,273)(H,209,263)(H,210,278)(H,211,279)(H,212,280)(H,213,281)(H,214,264)(H,215,270)(H,216,274)(H,217,276)(H,218,258)(H,219,271)(H,220,272)(H,221,259)(H,222,268)(H,223,269)(H,224,261)(H,225,260)(H,226,255)(H,227,256)(H,228,275)(H,229,282)(H,245,246)(H,247,248)(H,249,250)(H,251,252)(H,253,254)(H,287,288)(H4,187,188,196)(H4,189,190,197)(H4,191,192,198)(H4,193,194,199)/t92-,93-,94-,95-,96+,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,142-,143-,144-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
200n/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))
BDBM50466557
PNG
(CHEMBL4290615)
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)[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O |r|
Show InChI InChI=1S/C181H280N52O55/c1-18-92(12)142(186)171(281)213-114(28-19-20-62-182)174(284)232-68-26-34-131(232)169(279)211-111(54-59-138(247)248)147(257)204-95(15)173(283)231-67-25-33-130(231)167(277)200-83-136(244)205-109(53-58-137(245)246)151(261)224-125(81-141(253)254)156(266)203-94(14)146(256)227-128(85-235)175(285)233-69-27-35-132(233)170(280)212-113(56-61-140(251)252)153(263)209-112(55-60-139(249)250)154(264)214-116(71-88(4)5)158(268)222-123(79-134(184)242)163(273)208-106(29-21-63-196-178(187)188)148(258)218-120(75-98-38-46-103(238)47-39-98)161(271)219-119(74-97-36-44-102(237)45-37-97)155(265)202-93(13)145(255)226-127(84-234)166(276)217-115(70-87(2)3)157(267)207-107(30-22-64-197-179(189)190)149(259)221-122(78-101-82-195-86-201-101)162(272)220-121(76-99-40-48-104(239)49-41-99)160(270)215-117(72-89(6)7)159(269)223-124(80-135(185)243)164(274)216-118(73-90(8)9)165(275)228-143(91(10)11)172(282)229-144(96(16)236)176(286)230(17)129(32-24-66-199-181(193)194)168(278)210-110(52-57-133(183)241)152(262)206-108(31-23-65-198-180(191)192)150(260)225-126(177(287)288)77-100-42-50-105(240)51-43-100/h36-51,82,86-96,106-132,142-144,234-240H,18-35,52-81,83-85,182,186H2,1-17H3,(H2,183,241)(H2,184,242)(H2,185,243)(H,195,201)(H,200,277)(H,202,265)(H,203,266)(H,204,257)(H,205,244)(H,206,262)(H,207,267)(H,208,273)(H,209,263)(H,210,278)(H,211,279)(H,212,280)(H,213,281)(H,214,264)(H,215,270)(H,216,274)(H,217,276)(H,218,258)(H,219,271)(H,220,272)(H,221,259)(H,222,268)(H,223,269)(H,224,261)(H,225,260)(H,226,255)(H,227,256)(H,228,275)(H,229,282)(H,245,246)(H,247,248)(H,249,250)(H,251,252)(H,253,254)(H,287,288)(H4,187,188,196)(H4,189,190,197)(H4,191,192,198)(H4,193,194,199)/t92-,93-,94-,95-,96+,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,142-,143-,144-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
316n/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))
BDBM50466557
PNG
(CHEMBL4290615)
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)[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O |r|
Show InChI InChI=1S/C181H280N52O55/c1-18-92(12)142(186)171(281)213-114(28-19-20-62-182)174(284)232-68-26-34-131(232)169(279)211-111(54-59-138(247)248)147(257)204-95(15)173(283)231-67-25-33-130(231)167(277)200-83-136(244)205-109(53-58-137(245)246)151(261)224-125(81-141(253)254)156(266)203-94(14)146(256)227-128(85-235)175(285)233-69-27-35-132(233)170(280)212-113(56-61-140(251)252)153(263)209-112(55-60-139(249)250)154(264)214-116(71-88(4)5)158(268)222-123(79-134(184)242)163(273)208-106(29-21-63-196-178(187)188)148(258)218-120(75-98-38-46-103(238)47-39-98)161(271)219-119(74-97-36-44-102(237)45-37-97)155(265)202-93(13)145(255)226-127(84-234)166(276)217-115(70-87(2)3)157(267)207-107(30-22-64-197-179(189)190)149(259)221-122(78-101-82-195-86-201-101)162(272)220-121(76-99-40-48-104(239)49-41-99)160(270)215-117(72-89(6)7)159(269)223-124(80-135(185)243)164(274)216-118(73-90(8)9)165(275)228-143(91(10)11)172(282)229-144(96(16)236)176(286)230(17)129(32-24-66-199-181(193)194)168(278)210-110(52-57-133(183)241)152(262)206-108(31-23-65-198-180(191)192)150(260)225-126(177(287)288)77-100-42-50-105(240)51-43-100/h36-51,82,86-96,106-132,142-144,234-240H,18-35,52-81,83-85,182,186H2,1-17H3,(H2,183,241)(H2,184,242)(H2,185,243)(H,195,201)(H,200,277)(H,202,265)(H,203,266)(H,204,257)(H,205,244)(H,206,262)(H,207,267)(H,208,273)(H,209,263)(H,210,278)(H,211,279)(H,212,280)(H,213,281)(H,214,264)(H,215,270)(H,216,274)(H,217,276)(H,218,258)(H,219,271)(H,220,272)(H,221,259)(H,222,268)(H,223,269)(H,224,261)(H,225,260)(H,226,255)(H,227,256)(H,228,275)(H,229,282)(H,245,246)(H,247,248)(H,249,250)(H,251,252)(H,253,254)(H,287,288)(H4,187,188,196)(H4,189,190,197)(H4,191,192,198)(H4,193,194,199)/t92-,93-,94-,95-,96+,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,142-,143-,144-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
320n/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))
BDBM50466557
PNG
(CHEMBL4290615)
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)[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O |r|
Show InChI InChI=1S/C181H280N52O55/c1-18-92(12)142(186)171(281)213-114(28-19-20-62-182)174(284)232-68-26-34-131(232)169(279)211-111(54-59-138(247)248)147(257)204-95(15)173(283)231-67-25-33-130(231)167(277)200-83-136(244)205-109(53-58-137(245)246)151(261)224-125(81-141(253)254)156(266)203-94(14)146(256)227-128(85-235)175(285)233-69-27-35-132(233)170(280)212-113(56-61-140(251)252)153(263)209-112(55-60-139(249)250)154(264)214-116(71-88(4)5)158(268)222-123(79-134(184)242)163(273)208-106(29-21-63-196-178(187)188)148(258)218-120(75-98-38-46-103(238)47-39-98)161(271)219-119(74-97-36-44-102(237)45-37-97)155(265)202-93(13)145(255)226-127(84-234)166(276)217-115(70-87(2)3)157(267)207-107(30-22-64-197-179(189)190)149(259)221-122(78-101-82-195-86-201-101)162(272)220-121(76-99-40-48-104(239)49-41-99)160(270)215-117(72-89(6)7)159(269)223-124(80-135(185)243)164(274)216-118(73-90(8)9)165(275)228-143(91(10)11)172(282)229-144(96(16)236)176(286)230(17)129(32-24-66-199-181(193)194)168(278)210-110(52-57-133(183)241)152(262)206-108(31-23-65-198-180(191)192)150(260)225-126(177(287)288)77-100-42-50-105(240)51-43-100/h36-51,82,86-96,106-132,142-144,234-240H,18-35,52-81,83-85,182,186H2,1-17H3,(H2,183,241)(H2,184,242)(H2,185,243)(H,195,201)(H,200,277)(H,202,265)(H,203,266)(H,204,257)(H,205,244)(H,206,262)(H,207,267)(H,208,273)(H,209,263)(H,210,278)(H,211,279)(H,212,280)(H,213,281)(H,214,264)(H,215,270)(H,216,274)(H,217,276)(H,218,258)(H,219,271)(H,220,272)(H,221,259)(H,222,268)(H,223,269)(H,224,261)(H,225,260)(H,226,255)(H,227,256)(H,228,275)(H,229,282)(H,245,246)(H,247,248)(H,249,250)(H,251,252)(H,253,254)(H,287,288)(H4,187,188,196)(H4,189,190,197)(H4,191,192,198)(H4,193,194,199)/t92-,93-,94-,95-,96+,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,142-,143-,144-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
2.50E+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))
BDBM50466557
PNG
(CHEMBL4290615)
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)[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O |r|
Show InChI InChI=1S/C181H280N52O55/c1-18-92(12)142(186)171(281)213-114(28-19-20-62-182)174(284)232-68-26-34-131(232)169(279)211-111(54-59-138(247)248)147(257)204-95(15)173(283)231-67-25-33-130(231)167(277)200-83-136(244)205-109(53-58-137(245)246)151(261)224-125(81-141(253)254)156(266)203-94(14)146(256)227-128(85-235)175(285)233-69-27-35-132(233)170(280)212-113(56-61-140(251)252)153(263)209-112(55-60-139(249)250)154(264)214-116(71-88(4)5)158(268)222-123(79-134(184)242)163(273)208-106(29-21-63-196-178(187)188)148(258)218-120(75-98-38-46-103(238)47-39-98)161(271)219-119(74-97-36-44-102(237)45-37-97)155(265)202-93(13)145(255)226-127(84-234)166(276)217-115(70-87(2)3)157(267)207-107(30-22-64-197-179(189)190)149(259)221-122(78-101-82-195-86-201-101)162(272)220-121(76-99-40-48-104(239)49-41-99)160(270)215-117(72-89(6)7)159(269)223-124(80-135(185)243)164(274)216-118(73-90(8)9)165(275)228-143(91(10)11)172(282)229-144(96(16)236)176(286)230(17)129(32-24-66-199-181(193)194)168(278)210-110(52-57-133(183)241)152(262)206-108(31-23-65-198-180(191)192)150(260)225-126(177(287)288)77-100-42-50-105(240)51-43-100/h36-51,82,86-96,106-132,142-144,234-240H,18-35,52-81,83-85,182,186H2,1-17H3,(H2,183,241)(H2,184,242)(H2,185,243)(H,195,201)(H,200,277)(H,202,265)(H,203,266)(H,204,257)(H,205,244)(H,206,262)(H,207,267)(H,208,273)(H,209,263)(H,210,278)(H,211,279)(H,212,280)(H,213,281)(H,214,264)(H,215,270)(H,216,274)(H,217,276)(H,218,258)(H,219,271)(H,220,272)(H,221,259)(H,222,268)(H,223,269)(H,224,261)(H,225,260)(H,226,255)(H,227,256)(H,228,275)(H,229,282)(H,245,246)(H,247,248)(H,249,250)(H,251,252)(H,253,254)(H,287,288)(H4,187,188,196)(H4,189,190,197)(H4,191,192,198)(H4,193,194,199)/t92-,93-,94-,95-,96+,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,142-,143-,144-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
2.51E+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