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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 4050.4
BDBM50466546

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))
BDBM50466546
PNG
(CHEMBL4282616)
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(CCC(N)=O)CC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O |r|
Show InChI InChI=1S/C180H278N52O55/c1-17-92(12)142(185)169(279)211-114(27-18-19-60-181)174(284)231-66-25-33-130(231)167(277)209-110(52-56-138(247)248)147(257)203-95(15)172(282)230-65-24-32-129(230)166(276)199-82-135(243)204-109(51-55-137(245)246)151(261)223-125(80-141(253)254)155(265)202-94(14)146(256)226-128(85-234)175(285)232-67-26-34-131(232)168(278)210-112(54-58-140(251)252)152(262)208-111(53-57-139(249)250)153(263)213-116(70-88(4)5)157(267)221-123(78-133(183)241)162(272)207-107(29-21-62-196-178(188)189)149(259)217-120(74-98-37-45-103(237)46-38-98)160(270)218-119(73-97-35-43-102(236)44-36-97)154(264)201-93(13)145(255)225-127(84-233)165(275)216-115(69-87(2)3)156(266)206-108(30-22-63-197-179(190)191)150(260)220-122(77-101-81-194-86-200-101)161(271)219-121(75-99-39-47-104(238)48-40-99)159(269)214-117(71-89(6)7)158(268)222-124(79-134(184)242)163(273)215-118(72-90(8)9)164(274)227-143(91(10)11)170(280)228-144(96(16)235)171(281)212-113(31-23-64-198-180(192)193)173(283)229(68-59-132(182)240)83-136(244)205-106(28-20-61-195-177(186)187)148(258)224-126(176(286)287)76-100-41-49-105(239)50-42-100/h35-50,81,86-96,106-131,142-144,233-239H,17-34,51-80,82-85,181,185H2,1-16H3,(H2,182,240)(H2,183,241)(H2,184,242)(H,194,200)(H,199,276)(H,201,264)(H,202,265)(H,203,257)(H,204,243)(H,205,244)(H,206,266)(H,207,272)(H,208,262)(H,209,277)(H,210,278)(H,211,279)(H,212,281)(H,213,263)(H,214,269)(H,215,273)(H,216,275)(H,217,259)(H,218,270)(H,219,271)(H,220,260)(H,221,267)(H,222,268)(H,223,261)(H,224,258)(H,225,255)(H,226,256)(H,227,274)(H,228,280)(H,245,246)(H,247,248)(H,249,250)(H,251,252)(H,253,254)(H,286,287)(H4,186,187,195)(H4,188,189,196)(H4,190,191,197)(H4,192,193,198)/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-,142-,143-,144-/m0/s1
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
50n/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))
BDBM50466546
PNG
(CHEMBL4282616)
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(CCC(N)=O)CC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O |r|
Show InChI InChI=1S/C180H278N52O55/c1-17-92(12)142(185)169(279)211-114(27-18-19-60-181)174(284)231-66-25-33-130(231)167(277)209-110(52-56-138(247)248)147(257)203-95(15)172(282)230-65-24-32-129(230)166(276)199-82-135(243)204-109(51-55-137(245)246)151(261)223-125(80-141(253)254)155(265)202-94(14)146(256)226-128(85-234)175(285)232-67-26-34-131(232)168(278)210-112(54-58-140(251)252)152(262)208-111(53-57-139(249)250)153(263)213-116(70-88(4)5)157(267)221-123(78-133(183)241)162(272)207-107(29-21-62-196-178(188)189)149(259)217-120(74-98-37-45-103(237)46-38-98)160(270)218-119(73-97-35-43-102(236)44-36-97)154(264)201-93(13)145(255)225-127(84-233)165(275)216-115(69-87(2)3)156(266)206-108(30-22-63-197-179(190)191)150(260)220-122(77-101-81-194-86-200-101)161(271)219-121(75-99-39-47-104(238)48-40-99)159(269)214-117(71-89(6)7)158(268)222-124(79-134(184)242)163(273)215-118(72-90(8)9)164(274)227-143(91(10)11)170(280)228-144(96(16)235)171(281)212-113(31-23-64-198-180(192)193)173(283)229(68-59-132(182)240)83-136(244)205-106(28-20-61-195-177(186)187)148(258)224-126(176(286)287)76-100-41-49-105(239)50-42-100/h35-50,81,86-96,106-131,142-144,233-239H,17-34,51-80,82-85,181,185H2,1-16H3,(H2,182,240)(H2,183,241)(H2,184,242)(H,194,200)(H,199,276)(H,201,264)(H,202,265)(H,203,257)(H,204,243)(H,205,244)(H,206,266)(H,207,272)(H,208,262)(H,209,277)(H,210,278)(H,211,279)(H,212,281)(H,213,263)(H,214,269)(H,215,273)(H,216,275)(H,217,259)(H,218,270)(H,219,271)(H,220,260)(H,221,267)(H,222,268)(H,223,261)(H,224,258)(H,225,255)(H,226,256)(H,227,274)(H,228,280)(H,245,246)(H,247,248)(H,249,250)(H,251,252)(H,253,254)(H,286,287)(H4,186,187,195)(H4,188,189,196)(H4,190,191,197)(H4,192,193,198)/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-,142-,143-,144-/m0/s1
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
50n/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))
BDBM50466546
PNG
(CHEMBL4282616)
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(CCC(N)=O)CC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O |r|
Show InChI InChI=1S/C180H278N52O55/c1-17-92(12)142(185)169(279)211-114(27-18-19-60-181)174(284)231-66-25-33-130(231)167(277)209-110(52-56-138(247)248)147(257)203-95(15)172(282)230-65-24-32-129(230)166(276)199-82-135(243)204-109(51-55-137(245)246)151(261)223-125(80-141(253)254)155(265)202-94(14)146(256)226-128(85-234)175(285)232-67-26-34-131(232)168(278)210-112(54-58-140(251)252)152(262)208-111(53-57-139(249)250)153(263)213-116(70-88(4)5)157(267)221-123(78-133(183)241)162(272)207-107(29-21-62-196-178(188)189)149(259)217-120(74-98-37-45-103(237)46-38-98)160(270)218-119(73-97-35-43-102(236)44-36-97)154(264)201-93(13)145(255)225-127(84-233)165(275)216-115(69-87(2)3)156(266)206-108(30-22-63-197-179(190)191)150(260)220-122(77-101-81-194-86-200-101)161(271)219-121(75-99-39-47-104(238)48-40-99)159(269)214-117(71-89(6)7)158(268)222-124(79-134(184)242)163(273)215-118(72-90(8)9)164(274)227-143(91(10)11)170(280)228-144(96(16)235)171(281)212-113(31-23-64-198-180(192)193)173(283)229(68-59-132(182)240)83-136(244)205-106(28-20-61-195-177(186)187)148(258)224-126(176(286)287)76-100-41-49-105(239)50-42-100/h35-50,81,86-96,106-131,142-144,233-239H,17-34,51-80,82-85,181,185H2,1-16H3,(H2,182,240)(H2,183,241)(H2,184,242)(H,194,200)(H,199,276)(H,201,264)(H,202,265)(H,203,257)(H,204,243)(H,205,244)(H,206,266)(H,207,272)(H,208,262)(H,209,277)(H,210,278)(H,211,279)(H,212,281)(H,213,263)(H,214,269)(H,215,273)(H,216,275)(H,217,259)(H,218,270)(H,219,271)(H,220,260)(H,221,267)(H,222,268)(H,223,261)(H,224,258)(H,225,255)(H,226,256)(H,227,274)(H,228,280)(H,245,246)(H,247,248)(H,249,250)(H,251,252)(H,253,254)(H,286,287)(H4,186,187,195)(H4,188,189,196)(H4,190,191,197)(H4,192,193,198)/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-,142-,143-,144-/m0/s1
PDB

Reactome pathway
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]-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))
BDBM50466546
PNG
(CHEMBL4282616)
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(CCC(N)=O)CC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O |r|
Show InChI InChI=1S/C180H278N52O55/c1-17-92(12)142(185)169(279)211-114(27-18-19-60-181)174(284)231-66-25-33-130(231)167(277)209-110(52-56-138(247)248)147(257)203-95(15)172(282)230-65-24-32-129(230)166(276)199-82-135(243)204-109(51-55-137(245)246)151(261)223-125(80-141(253)254)155(265)202-94(14)146(256)226-128(85-234)175(285)232-67-26-34-131(232)168(278)210-112(54-58-140(251)252)152(262)208-111(53-57-139(249)250)153(263)213-116(70-88(4)5)157(267)221-123(78-133(183)241)162(272)207-107(29-21-62-196-178(188)189)149(259)217-120(74-98-37-45-103(237)46-38-98)160(270)218-119(73-97-35-43-102(236)44-36-97)154(264)201-93(13)145(255)225-127(84-233)165(275)216-115(69-87(2)3)156(266)206-108(30-22-63-197-179(190)191)150(260)220-122(77-101-81-194-86-200-101)161(271)219-121(75-99-39-47-104(238)48-40-99)159(269)214-117(71-89(6)7)158(268)222-124(79-134(184)242)163(273)215-118(72-90(8)9)164(274)227-143(91(10)11)170(280)228-144(96(16)235)171(281)212-113(31-23-64-198-180(192)193)173(283)229(68-59-132(182)240)83-136(244)205-106(28-20-61-195-177(186)187)148(258)224-126(176(286)287)76-100-41-49-105(239)50-42-100/h35-50,81,86-96,106-131,142-144,233-239H,17-34,51-80,82-85,181,185H2,1-16H3,(H2,182,240)(H2,183,241)(H2,184,242)(H,194,200)(H,199,276)(H,201,264)(H,202,265)(H,203,257)(H,204,243)(H,205,244)(H,206,266)(H,207,272)(H,208,262)(H,209,277)(H,210,278)(H,211,279)(H,212,281)(H,213,263)(H,214,269)(H,215,273)(H,216,275)(H,217,259)(H,218,270)(H,219,271)(H,220,260)(H,221,267)(H,222,268)(H,223,261)(H,224,258)(H,225,255)(H,226,256)(H,227,274)(H,228,280)(H,245,246)(H,247,248)(H,249,250)(H,251,252)(H,253,254)(H,286,287)(H4,186,187,195)(H4,188,189,196)(H4,190,191,197)(H4,192,193,198)/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-,142-,143-,144-/m0/s1
PDB

Reactome pathway
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]-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 2


(Homo sapiens (Human))
BDBM50466546
PNG
(CHEMBL4282616)
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(CCC(N)=O)CC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O |r|
Show InChI InChI=1S/C180H278N52O55/c1-17-92(12)142(185)169(279)211-114(27-18-19-60-181)174(284)231-66-25-33-130(231)167(277)209-110(52-56-138(247)248)147(257)203-95(15)172(282)230-65-24-32-129(230)166(276)199-82-135(243)204-109(51-55-137(245)246)151(261)223-125(80-141(253)254)155(265)202-94(14)146(256)226-128(85-234)175(285)232-67-26-34-131(232)168(278)210-112(54-58-140(251)252)152(262)208-111(53-57-139(249)250)153(263)213-116(70-88(4)5)157(267)221-123(78-133(183)241)162(272)207-107(29-21-62-196-178(188)189)149(259)217-120(74-98-37-45-103(237)46-38-98)160(270)218-119(73-97-35-43-102(236)44-36-97)154(264)201-93(13)145(255)225-127(84-233)165(275)216-115(69-87(2)3)156(266)206-108(30-22-63-197-179(190)191)150(260)220-122(77-101-81-194-86-200-101)161(271)219-121(75-99-39-47-104(238)48-40-99)159(269)214-117(71-89(6)7)158(268)222-124(79-134(184)242)163(273)215-118(72-90(8)9)164(274)227-143(91(10)11)170(280)228-144(96(16)235)171(281)212-113(31-23-64-198-180(192)193)173(283)229(68-59-132(182)240)83-136(244)205-106(28-20-61-195-177(186)187)148(258)224-126(176(286)287)76-100-41-49-105(239)50-42-100/h35-50,81,86-96,106-131,142-144,233-239H,17-34,51-80,82-85,181,185H2,1-16H3,(H2,182,240)(H2,183,241)(H2,184,242)(H,194,200)(H,199,276)(H,201,264)(H,202,265)(H,203,257)(H,204,243)(H,205,244)(H,206,266)(H,207,272)(H,208,262)(H,209,277)(H,210,278)(H,211,279)(H,212,281)(H,213,263)(H,214,269)(H,215,273)(H,216,275)(H,217,259)(H,218,270)(H,219,271)(H,220,260)(H,221,267)(H,222,268)(H,223,261)(H,224,258)(H,225,255)(H,226,256)(H,227,274)(H,228,280)(H,245,246)(H,247,248)(H,249,250)(H,251,252)(H,253,254)(H,286,287)(H4,186,187,195)(H4,188,189,196)(H4,190,191,197)(H4,192,193,198)/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-,142-,143-,144-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
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 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))
BDBM50466546
PNG
(CHEMBL4282616)
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(CCC(N)=O)CC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O |r|
Show InChI InChI=1S/C180H278N52O55/c1-17-92(12)142(185)169(279)211-114(27-18-19-60-181)174(284)231-66-25-33-130(231)167(277)209-110(52-56-138(247)248)147(257)203-95(15)172(282)230-65-24-32-129(230)166(276)199-82-135(243)204-109(51-55-137(245)246)151(261)223-125(80-141(253)254)155(265)202-94(14)146(256)226-128(85-234)175(285)232-67-26-34-131(232)168(278)210-112(54-58-140(251)252)152(262)208-111(53-57-139(249)250)153(263)213-116(70-88(4)5)157(267)221-123(78-133(183)241)162(272)207-107(29-21-62-196-178(188)189)149(259)217-120(74-98-37-45-103(237)46-38-98)160(270)218-119(73-97-35-43-102(236)44-36-97)154(264)201-93(13)145(255)225-127(84-233)165(275)216-115(69-87(2)3)156(266)206-108(30-22-63-197-179(190)191)150(260)220-122(77-101-81-194-86-200-101)161(271)219-121(75-99-39-47-104(238)48-40-99)159(269)214-117(71-89(6)7)158(268)222-124(79-134(184)242)163(273)215-118(72-90(8)9)164(274)227-143(91(10)11)170(280)228-144(96(16)235)171(281)212-113(31-23-64-198-180(192)193)173(283)229(68-59-132(182)240)83-136(244)205-106(28-20-61-195-177(186)187)148(258)224-126(176(286)287)76-100-41-49-105(239)50-42-100/h35-50,81,86-96,106-131,142-144,233-239H,17-34,51-80,82-85,181,185H2,1-16H3,(H2,182,240)(H2,183,241)(H2,184,242)(H,194,200)(H,199,276)(H,201,264)(H,202,265)(H,203,257)(H,204,243)(H,205,244)(H,206,266)(H,207,272)(H,208,262)(H,209,277)(H,210,278)(H,211,279)(H,212,281)(H,213,263)(H,214,269)(H,215,273)(H,216,275)(H,217,259)(H,218,270)(H,219,271)(H,220,260)(H,221,267)(H,222,268)(H,223,261)(H,224,258)(H,225,255)(H,226,256)(H,227,274)(H,228,280)(H,245,246)(H,247,248)(H,249,250)(H,251,252)(H,253,254)(H,286,287)(H4,186,187,195)(H4,188,189,196)(H4,190,191,197)(H4,192,193,198)/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-,142-,143-,144-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
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 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 1


(Homo sapiens (Human))
BDBM50466546
PNG
(CHEMBL4282616)
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(CCC(N)=O)CC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O |r|
Show InChI InChI=1S/C180H278N52O55/c1-17-92(12)142(185)169(279)211-114(27-18-19-60-181)174(284)231-66-25-33-130(231)167(277)209-110(52-56-138(247)248)147(257)203-95(15)172(282)230-65-24-32-129(230)166(276)199-82-135(243)204-109(51-55-137(245)246)151(261)223-125(80-141(253)254)155(265)202-94(14)146(256)226-128(85-234)175(285)232-67-26-34-131(232)168(278)210-112(54-58-140(251)252)152(262)208-111(53-57-139(249)250)153(263)213-116(70-88(4)5)157(267)221-123(78-133(183)241)162(272)207-107(29-21-62-196-178(188)189)149(259)217-120(74-98-37-45-103(237)46-38-98)160(270)218-119(73-97-35-43-102(236)44-36-97)154(264)201-93(13)145(255)225-127(84-233)165(275)216-115(69-87(2)3)156(266)206-108(30-22-63-197-179(190)191)150(260)220-122(77-101-81-194-86-200-101)161(271)219-121(75-99-39-47-104(238)48-40-99)159(269)214-117(71-89(6)7)158(268)222-124(79-134(184)242)163(273)215-118(72-90(8)9)164(274)227-143(91(10)11)170(280)228-144(96(16)235)171(281)212-113(31-23-64-198-180(192)193)173(283)229(68-59-132(182)240)83-136(244)205-106(28-20-61-195-177(186)187)148(258)224-126(176(286)287)76-100-41-49-105(239)50-42-100/h35-50,81,86-96,106-131,142-144,233-239H,17-34,51-80,82-85,181,185H2,1-16H3,(H2,182,240)(H2,183,241)(H2,184,242)(H,194,200)(H,199,276)(H,201,264)(H,202,265)(H,203,257)(H,204,243)(H,205,244)(H,206,266)(H,207,272)(H,208,262)(H,209,277)(H,210,278)(H,211,279)(H,212,281)(H,213,263)(H,214,269)(H,215,273)(H,216,275)(H,217,259)(H,218,270)(H,219,271)(H,220,260)(H,221,267)(H,222,268)(H,223,261)(H,224,258)(H,225,255)(H,226,256)(H,227,274)(H,228,280)(H,245,246)(H,247,248)(H,249,250)(H,251,252)(H,253,254)(H,286,287)(H4,186,187,195)(H4,188,189,196)(H4,190,191,197)(H4,192,193,198)/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-,142-,143-,144-/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]-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))
BDBM50466546
PNG
(CHEMBL4282616)
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(CCC(N)=O)CC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O |r|
Show InChI InChI=1S/C180H278N52O55/c1-17-92(12)142(185)169(279)211-114(27-18-19-60-181)174(284)231-66-25-33-130(231)167(277)209-110(52-56-138(247)248)147(257)203-95(15)172(282)230-65-24-32-129(230)166(276)199-82-135(243)204-109(51-55-137(245)246)151(261)223-125(80-141(253)254)155(265)202-94(14)146(256)226-128(85-234)175(285)232-67-26-34-131(232)168(278)210-112(54-58-140(251)252)152(262)208-111(53-57-139(249)250)153(263)213-116(70-88(4)5)157(267)221-123(78-133(183)241)162(272)207-107(29-21-62-196-178(188)189)149(259)217-120(74-98-37-45-103(237)46-38-98)160(270)218-119(73-97-35-43-102(236)44-36-97)154(264)201-93(13)145(255)225-127(84-233)165(275)216-115(69-87(2)3)156(266)206-108(30-22-63-197-179(190)191)150(260)220-122(77-101-81-194-86-200-101)161(271)219-121(75-99-39-47-104(238)48-40-99)159(269)214-117(71-89(6)7)158(268)222-124(79-134(184)242)163(273)215-118(72-90(8)9)164(274)227-143(91(10)11)170(280)228-144(96(16)235)171(281)212-113(31-23-64-198-180(192)193)173(283)229(68-59-132(182)240)83-136(244)205-106(28-20-61-195-177(186)187)148(258)224-126(176(286)287)76-100-41-49-105(239)50-42-100/h35-50,81,86-96,106-131,142-144,233-239H,17-34,51-80,82-85,181,185H2,1-16H3,(H2,182,240)(H2,183,241)(H2,184,242)(H,194,200)(H,199,276)(H,201,264)(H,202,265)(H,203,257)(H,204,243)(H,205,244)(H,206,266)(H,207,272)(H,208,262)(H,209,277)(H,210,278)(H,211,279)(H,212,281)(H,213,263)(H,214,269)(H,215,273)(H,216,275)(H,217,259)(H,218,270)(H,219,271)(H,220,260)(H,221,267)(H,222,268)(H,223,261)(H,224,258)(H,225,255)(H,226,256)(H,227,274)(H,228,280)(H,245,246)(H,247,248)(H,249,250)(H,251,252)(H,253,254)(H,286,287)(H4,186,187,195)(H4,188,189,196)(H4,190,191,197)(H4,192,193,198)/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-,142-,143-,144-/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]-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