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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 4007.4
BDBM50466548

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 4


(Homo sapiens (Human))
BDBM50466548
PNG
(CHEMBL4290048)
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)[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O |r|
Show InChI InChI=1S/C179H277N51O54/c1-19-91(12)140(183)168(276)209-114(29-20-21-61-180)173(281)229-67-27-35-130(229)166(274)207-110(54-58-136(243)244)146(254)201-94(15)171(279)228-66-26-34-129(228)165(273)197-82-134(240)202-109(53-57-135(241)242)150(258)221-125(80-139(249)250)154(262)200-93(14)144(252)224-128(84-232)174(282)230-68-28-36-131(230)167(275)208-112(56-60-138(247)248)151(259)206-111(55-59-137(245)246)152(260)211-116(70-87(4)5)156(264)219-123(78-132(181)238)161(269)205-107(31-23-63-194-177(186)187)147(255)215-120(74-98-39-47-103(235)48-40-98)159(267)216-119(73-97-37-45-102(234)46-38-97)153(261)199-92(13)143(251)223-127(83-231)164(272)214-115(69-86(2)3)155(263)204-108(32-24-64-195-178(188)189)148(256)218-122(77-101-81-192-85-198-101)160(268)217-121(75-99-41-49-104(236)50-42-99)158(266)212-117(71-88(6)7)157(265)220-124(79-133(182)239)162(270)213-118(72-89(8)9)163(271)225-141(90(10)11)169(277)226-142(96(17)233)170(278)210-113(33-25-65-196-179(190)191)172(280)227(18)95(16)145(253)203-106(30-22-62-193-176(184)185)149(257)222-126(175(283)284)76-100-43-51-105(237)52-44-100/h37-52,81,85-96,106-131,140-142,231-237H,19-36,53-80,82-84,180,183H2,1-18H3,(H2,181,238)(H2,182,239)(H,192,198)(H,197,273)(H,199,261)(H,200,262)(H,201,254)(H,202,240)(H,203,253)(H,204,263)(H,205,269)(H,206,259)(H,207,274)(H,208,275)(H,209,276)(H,210,278)(H,211,260)(H,212,266)(H,213,270)(H,214,272)(H,215,255)(H,216,267)(H,217,268)(H,218,256)(H,219,264)(H,220,265)(H,221,258)(H,222,257)(H,223,251)(H,224,252)(H,225,271)(H,226,277)(H,241,242)(H,243,244)(H,245,246)(H,247,248)(H,249,250)(H,283,284)(H4,184,185,193)(H4,186,187,194)(H4,188,189,195)(H4,190,191,196)/t91-,92-,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-,140-,141-,142-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
0.158n/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))
BDBM50466548
PNG
(CHEMBL4290048)
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)[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O |r|
Show InChI InChI=1S/C179H277N51O54/c1-19-91(12)140(183)168(276)209-114(29-20-21-61-180)173(281)229-67-27-35-130(229)166(274)207-110(54-58-136(243)244)146(254)201-94(15)171(279)228-66-26-34-129(228)165(273)197-82-134(240)202-109(53-57-135(241)242)150(258)221-125(80-139(249)250)154(262)200-93(14)144(252)224-128(84-232)174(282)230-68-28-36-131(230)167(275)208-112(56-60-138(247)248)151(259)206-111(55-59-137(245)246)152(260)211-116(70-87(4)5)156(264)219-123(78-132(181)238)161(269)205-107(31-23-63-194-177(186)187)147(255)215-120(74-98-39-47-103(235)48-40-98)159(267)216-119(73-97-37-45-102(234)46-38-97)153(261)199-92(13)143(251)223-127(83-231)164(272)214-115(69-86(2)3)155(263)204-108(32-24-64-195-178(188)189)148(256)218-122(77-101-81-192-85-198-101)160(268)217-121(75-99-41-49-104(236)50-42-99)158(266)212-117(71-88(6)7)157(265)220-124(79-133(182)239)162(270)213-118(72-89(8)9)163(271)225-141(90(10)11)169(277)226-142(96(17)233)170(278)210-113(33-25-65-196-179(190)191)172(280)227(18)95(16)145(253)203-106(30-22-62-193-176(184)185)149(257)222-126(175(283)284)76-100-43-51-105(237)52-44-100/h37-52,81,85-96,106-131,140-142,231-237H,19-36,53-80,82-84,180,183H2,1-18H3,(H2,181,238)(H2,182,239)(H,192,198)(H,197,273)(H,199,261)(H,200,262)(H,201,254)(H,202,240)(H,203,253)(H,204,263)(H,205,269)(H,206,259)(H,207,274)(H,208,275)(H,209,276)(H,210,278)(H,211,260)(H,212,266)(H,213,270)(H,214,272)(H,215,255)(H,216,267)(H,217,268)(H,218,256)(H,219,264)(H,220,265)(H,221,258)(H,222,257)(H,223,251)(H,224,252)(H,225,271)(H,226,277)(H,241,242)(H,243,244)(H,245,246)(H,247,248)(H,249,250)(H,283,284)(H4,184,185,193)(H4,186,187,194)(H4,188,189,195)(H4,190,191,196)/t91-,92-,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-,140-,141-,142-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
0.160n/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))
BDBM50466548
PNG
(CHEMBL4290048)
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)[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O |r|
Show InChI InChI=1S/C179H277N51O54/c1-19-91(12)140(183)168(276)209-114(29-20-21-61-180)173(281)229-67-27-35-130(229)166(274)207-110(54-58-136(243)244)146(254)201-94(15)171(279)228-66-26-34-129(228)165(273)197-82-134(240)202-109(53-57-135(241)242)150(258)221-125(80-139(249)250)154(262)200-93(14)144(252)224-128(84-232)174(282)230-68-28-36-131(230)167(275)208-112(56-60-138(247)248)151(259)206-111(55-59-137(245)246)152(260)211-116(70-87(4)5)156(264)219-123(78-132(181)238)161(269)205-107(31-23-63-194-177(186)187)147(255)215-120(74-98-39-47-103(235)48-40-98)159(267)216-119(73-97-37-45-102(234)46-38-97)153(261)199-92(13)143(251)223-127(83-231)164(272)214-115(69-86(2)3)155(263)204-108(32-24-64-195-178(188)189)148(256)218-122(77-101-81-192-85-198-101)160(268)217-121(75-99-41-49-104(236)50-42-99)158(266)212-117(71-88(6)7)157(265)220-124(79-133(182)239)162(270)213-118(72-89(8)9)163(271)225-141(90(10)11)169(277)226-142(96(17)233)170(278)210-113(33-25-65-196-179(190)191)172(280)227(18)95(16)145(253)203-106(30-22-62-193-176(184)185)149(257)222-126(175(283)284)76-100-43-51-105(237)52-44-100/h37-52,81,85-96,106-131,140-142,231-237H,19-36,53-80,82-84,180,183H2,1-18H3,(H2,181,238)(H2,182,239)(H,192,198)(H,197,273)(H,199,261)(H,200,262)(H,201,254)(H,202,240)(H,203,253)(H,204,263)(H,205,269)(H,206,259)(H,207,274)(H,208,275)(H,209,276)(H,210,278)(H,211,260)(H,212,266)(H,213,270)(H,214,272)(H,215,255)(H,216,267)(H,217,268)(H,218,256)(H,219,264)(H,220,265)(H,221,258)(H,222,257)(H,223,251)(H,224,252)(H,225,271)(H,226,277)(H,241,242)(H,243,244)(H,245,246)(H,247,248)(H,249,250)(H,283,284)(H4,184,185,193)(H4,186,187,194)(H4,188,189,195)(H4,190,191,196)/t91-,92-,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-,140-,141-,142-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [125I]-PYY(1 to 36 residues) from human Y1R expressed in BHK-21 cell membranes after 2 hrs by scintillation proximity assay


J Med Chem 61: 10519-10530 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01046
BindingDB Entry DOI: 10.7270/Q2ZC85JC
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(Homo sapiens (Human))
BDBM50466548
PNG
(CHEMBL4290048)
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)[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O |r|
Show InChI InChI=1S/C179H277N51O54/c1-19-91(12)140(183)168(276)209-114(29-20-21-61-180)173(281)229-67-27-35-130(229)166(274)207-110(54-58-136(243)244)146(254)201-94(15)171(279)228-66-26-34-129(228)165(273)197-82-134(240)202-109(53-57-135(241)242)150(258)221-125(80-139(249)250)154(262)200-93(14)144(252)224-128(84-232)174(282)230-68-28-36-131(230)167(275)208-112(56-60-138(247)248)151(259)206-111(55-59-137(245)246)152(260)211-116(70-87(4)5)156(264)219-123(78-132(181)238)161(269)205-107(31-23-63-194-177(186)187)147(255)215-120(74-98-39-47-103(235)48-40-98)159(267)216-119(73-97-37-45-102(234)46-38-97)153(261)199-92(13)143(251)223-127(83-231)164(272)214-115(69-86(2)3)155(263)204-108(32-24-64-195-178(188)189)148(256)218-122(77-101-81-192-85-198-101)160(268)217-121(75-99-41-49-104(236)50-42-99)158(266)212-117(71-88(6)7)157(265)220-124(79-133(182)239)162(270)213-118(72-89(8)9)163(271)225-141(90(10)11)169(277)226-142(96(17)233)170(278)210-113(33-25-65-196-179(190)191)172(280)227(18)95(16)145(253)203-106(30-22-62-193-176(184)185)149(257)222-126(175(283)284)76-100-43-51-105(237)52-44-100/h37-52,81,85-96,106-131,140-142,231-237H,19-36,53-80,82-84,180,183H2,1-18H3,(H2,181,238)(H2,182,239)(H,192,198)(H,197,273)(H,199,261)(H,200,262)(H,201,254)(H,202,240)(H,203,253)(H,204,263)(H,205,269)(H,206,259)(H,207,274)(H,208,275)(H,209,276)(H,210,278)(H,211,260)(H,212,266)(H,213,270)(H,214,272)(H,215,255)(H,216,267)(H,217,268)(H,218,256)(H,219,264)(H,220,265)(H,221,258)(H,222,257)(H,223,251)(H,224,252)(H,225,271)(H,226,277)(H,241,242)(H,243,244)(H,245,246)(H,247,248)(H,249,250)(H,283,284)(H4,184,185,193)(H4,186,187,194)(H4,188,189,195)(H4,190,191,196)/t91-,92-,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-,140-,141-,142-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [125I]-PYY(1 to 36 residues) from human Y1R expressed in BHK-21 cell membranes after 2 hrs by scintillation proximity assay


J Med Chem 61: 10519-10530 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01046
BindingDB Entry DOI: 10.7270/Q2ZC85JC
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Homo sapiens (Human))
BDBM50466548
PNG
(CHEMBL4290048)
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)[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O |r|
Show InChI InChI=1S/C179H277N51O54/c1-19-91(12)140(183)168(276)209-114(29-20-21-61-180)173(281)229-67-27-35-130(229)166(274)207-110(54-58-136(243)244)146(254)201-94(15)171(279)228-66-26-34-129(228)165(273)197-82-134(240)202-109(53-57-135(241)242)150(258)221-125(80-139(249)250)154(262)200-93(14)144(252)224-128(84-232)174(282)230-68-28-36-131(230)167(275)208-112(56-60-138(247)248)151(259)206-111(55-59-137(245)246)152(260)211-116(70-87(4)5)156(264)219-123(78-132(181)238)161(269)205-107(31-23-63-194-177(186)187)147(255)215-120(74-98-39-47-103(235)48-40-98)159(267)216-119(73-97-37-45-102(234)46-38-97)153(261)199-92(13)143(251)223-127(83-231)164(272)214-115(69-86(2)3)155(263)204-108(32-24-64-195-178(188)189)148(256)218-122(77-101-81-192-85-198-101)160(268)217-121(75-99-41-49-104(236)50-42-99)158(266)212-117(71-88(6)7)157(265)220-124(79-133(182)239)162(270)213-118(72-89(8)9)163(271)225-141(90(10)11)169(277)226-142(96(17)233)170(278)210-113(33-25-65-196-179(190)191)172(280)227(18)95(16)145(253)203-106(30-22-62-193-176(184)185)149(257)222-126(175(283)284)76-100-43-51-105(237)52-44-100/h37-52,81,85-96,106-131,140-142,231-237H,19-36,53-80,82-84,180,183H2,1-18H3,(H2,181,238)(H2,182,239)(H,192,198)(H,197,273)(H,199,261)(H,200,262)(H,201,254)(H,202,240)(H,203,253)(H,204,263)(H,205,269)(H,206,259)(H,207,274)(H,208,275)(H,209,276)(H,210,278)(H,211,260)(H,212,266)(H,213,270)(H,214,272)(H,215,255)(H,216,267)(H,217,268)(H,218,256)(H,219,264)(H,220,265)(H,221,258)(H,222,257)(H,223,251)(H,224,252)(H,225,271)(H,226,277)(H,241,242)(H,243,244)(H,245,246)(H,247,248)(H,249,250)(H,283,284)(H4,184,185,193)(H4,186,187,194)(H4,188,189,195)(H4,190,191,196)/t91-,92-,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-,140-,141-,142-/m0/s1
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [125I]-PYY(1 to 36 residues) from human 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))
BDBM50466548
PNG
(CHEMBL4290048)
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)[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O |r|
Show InChI InChI=1S/C179H277N51O54/c1-19-91(12)140(183)168(276)209-114(29-20-21-61-180)173(281)229-67-27-35-130(229)166(274)207-110(54-58-136(243)244)146(254)201-94(15)171(279)228-66-26-34-129(228)165(273)197-82-134(240)202-109(53-57-135(241)242)150(258)221-125(80-139(249)250)154(262)200-93(14)144(252)224-128(84-232)174(282)230-68-28-36-131(230)167(275)208-112(56-60-138(247)248)151(259)206-111(55-59-137(245)246)152(260)211-116(70-87(4)5)156(264)219-123(78-132(181)238)161(269)205-107(31-23-63-194-177(186)187)147(255)215-120(74-98-39-47-103(235)48-40-98)159(267)216-119(73-97-37-45-102(234)46-38-97)153(261)199-92(13)143(251)223-127(83-231)164(272)214-115(69-86(2)3)155(263)204-108(32-24-64-195-178(188)189)148(256)218-122(77-101-81-192-85-198-101)160(268)217-121(75-99-41-49-104(236)50-42-99)158(266)212-117(71-88(6)7)157(265)220-124(79-133(182)239)162(270)213-118(72-89(8)9)163(271)225-141(90(10)11)169(277)226-142(96(17)233)170(278)210-113(33-25-65-196-179(190)191)172(280)227(18)95(16)145(253)203-106(30-22-62-193-176(184)185)149(257)222-126(175(283)284)76-100-43-51-105(237)52-44-100/h37-52,81,85-96,106-131,140-142,231-237H,19-36,53-80,82-84,180,183H2,1-18H3,(H2,181,238)(H2,182,239)(H,192,198)(H,197,273)(H,199,261)(H,200,262)(H,201,254)(H,202,240)(H,203,253)(H,204,263)(H,205,269)(H,206,259)(H,207,274)(H,208,275)(H,209,276)(H,210,278)(H,211,260)(H,212,266)(H,213,270)(H,214,272)(H,215,255)(H,216,267)(H,217,268)(H,218,256)(H,219,264)(H,220,265)(H,221,258)(H,222,257)(H,223,251)(H,224,252)(H,225,271)(H,226,277)(H,241,242)(H,243,244)(H,245,246)(H,247,248)(H,249,250)(H,283,284)(H4,184,185,193)(H4,186,187,194)(H4,188,189,195)(H4,190,191,196)/t91-,92-,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-,140-,141-,142-/m0/s1
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [125I]-PYY(1 to 36 residues) from human 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))
BDBM50466548
PNG
(CHEMBL4290048)
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)[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O |r|
Show InChI InChI=1S/C179H277N51O54/c1-19-91(12)140(183)168(276)209-114(29-20-21-61-180)173(281)229-67-27-35-130(229)166(274)207-110(54-58-136(243)244)146(254)201-94(15)171(279)228-66-26-34-129(228)165(273)197-82-134(240)202-109(53-57-135(241)242)150(258)221-125(80-139(249)250)154(262)200-93(14)144(252)224-128(84-232)174(282)230-68-28-36-131(230)167(275)208-112(56-60-138(247)248)151(259)206-111(55-59-137(245)246)152(260)211-116(70-87(4)5)156(264)219-123(78-132(181)238)161(269)205-107(31-23-63-194-177(186)187)147(255)215-120(74-98-39-47-103(235)48-40-98)159(267)216-119(73-97-37-45-102(234)46-38-97)153(261)199-92(13)143(251)223-127(83-231)164(272)214-115(69-86(2)3)155(263)204-108(32-24-64-195-178(188)189)148(256)218-122(77-101-81-192-85-198-101)160(268)217-121(75-99-41-49-104(236)50-42-99)158(266)212-117(71-88(6)7)157(265)220-124(79-133(182)239)162(270)213-118(72-89(8)9)163(271)225-141(90(10)11)169(277)226-142(96(17)233)170(278)210-113(33-25-65-196-179(190)191)172(280)227(18)95(16)145(253)203-106(30-22-62-193-176(184)185)149(257)222-126(175(283)284)76-100-43-51-105(237)52-44-100/h37-52,81,85-96,106-131,140-142,231-237H,19-36,53-80,82-84,180,183H2,1-18H3,(H2,181,238)(H2,182,239)(H,192,198)(H,197,273)(H,199,261)(H,200,262)(H,201,254)(H,202,240)(H,203,253)(H,204,263)(H,205,269)(H,206,259)(H,207,274)(H,208,275)(H,209,276)(H,210,278)(H,211,260)(H,212,266)(H,213,270)(H,214,272)(H,215,255)(H,216,267)(H,217,268)(H,218,256)(H,219,264)(H,220,265)(H,221,258)(H,222,257)(H,223,251)(H,224,252)(H,225,271)(H,226,277)(H,241,242)(H,243,244)(H,245,246)(H,247,248)(H,249,250)(H,283,284)(H4,184,185,193)(H4,186,187,194)(H4,188,189,195)(H4,190,191,196)/t91-,92-,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-,140-,141-,142-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
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]-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))
BDBM50466548
PNG
(CHEMBL4290048)
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)[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O |r|
Show InChI InChI=1S/C179H277N51O54/c1-19-91(12)140(183)168(276)209-114(29-20-21-61-180)173(281)229-67-27-35-130(229)166(274)207-110(54-58-136(243)244)146(254)201-94(15)171(279)228-66-26-34-129(228)165(273)197-82-134(240)202-109(53-57-135(241)242)150(258)221-125(80-139(249)250)154(262)200-93(14)144(252)224-128(84-232)174(282)230-68-28-36-131(230)167(275)208-112(56-60-138(247)248)151(259)206-111(55-59-137(245)246)152(260)211-116(70-87(4)5)156(264)219-123(78-132(181)238)161(269)205-107(31-23-63-194-177(186)187)147(255)215-120(74-98-39-47-103(235)48-40-98)159(267)216-119(73-97-37-45-102(234)46-38-97)153(261)199-92(13)143(251)223-127(83-231)164(272)214-115(69-86(2)3)155(263)204-108(32-24-64-195-178(188)189)148(256)218-122(77-101-81-192-85-198-101)160(268)217-121(75-99-41-49-104(236)50-42-99)158(266)212-117(71-88(6)7)157(265)220-124(79-133(182)239)162(270)213-118(72-89(8)9)163(271)225-141(90(10)11)169(277)226-142(96(17)233)170(278)210-113(33-25-65-196-179(190)191)172(280)227(18)95(16)145(253)203-106(30-22-62-193-176(184)185)149(257)222-126(175(283)284)76-100-43-51-105(237)52-44-100/h37-52,81,85-96,106-131,140-142,231-237H,19-36,53-80,82-84,180,183H2,1-18H3,(H2,181,238)(H2,182,239)(H,192,198)(H,197,273)(H,199,261)(H,200,262)(H,201,254)(H,202,240)(H,203,253)(H,204,263)(H,205,269)(H,206,259)(H,207,274)(H,208,275)(H,209,276)(H,210,278)(H,211,260)(H,212,266)(H,213,270)(H,214,272)(H,215,255)(H,216,267)(H,217,268)(H,218,256)(H,219,264)(H,220,265)(H,221,258)(H,222,257)(H,223,251)(H,224,252)(H,225,271)(H,226,277)(H,241,242)(H,243,244)(H,245,246)(H,247,248)(H,249,250)(H,283,284)(H4,184,185,193)(H4,186,187,194)(H4,188,189,195)(H4,190,191,196)/t91-,92-,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-,140-,141-,142-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
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]-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