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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 4036.4
BDBM50466556

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))
BDBM50466556
PNG
(CHEMBL4283846)
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](CO)Cc1ccc(O)cc1 |r|
Show InChI InChI=1S/C180H280N52O54/c1-17-92(12)142(185)171(281)214-116(27-18-19-61-181)175(285)231-67-25-33-131(231)169(279)211-113(53-58-138(247)248)147(257)203-95(15)174(284)230-66-24-32-130(230)168(278)199-82-136(244)205-111(52-57-137(245)246)152(262)225-127(80-141(253)254)157(267)202-94(14)146(256)227-129(85-235)176(286)232-68-26-34-132(232)170(280)212-115(55-60-140(251)252)154(264)210-114(54-59-139(249)250)155(265)215-118(70-88(4)5)159(269)223-125(78-134(183)242)164(274)208-108(29-21-63-196-178(188)189)150(260)219-122(75-99-39-47-105(239)48-40-99)162(272)220-121(74-98-37-45-104(238)46-38-98)156(266)201-93(13)145(255)226-128(84-234)167(277)218-117(69-87(2)3)158(268)207-109(30-22-64-197-179(190)191)151(261)222-124(77-101-81-194-86-200-101)163(273)221-123(76-100-41-49-106(240)50-42-100)161(271)216-119(71-89(6)7)160(270)224-126(79-135(184)243)165(275)217-120(72-90(8)9)166(276)228-143(91(10)11)172(282)229-144(96(16)236)173(283)213-110(31-23-65-198-180(192)193)149(259)209-112(51-56-133(182)241)153(263)206-107(28-20-62-195-177(186)187)148(258)204-102(83-233)73-97-35-43-103(237)44-36-97/h35-50,81,86-96,102,107-132,142-144,233-240H,17-34,51-80,82-85,181,185H2,1-16H3,(H2,182,241)(H2,183,242)(H2,184,243)(H,194,200)(H,199,278)(H,201,266)(H,202,267)(H,203,257)(H,204,258)(H,205,244)(H,206,263)(H,207,268)(H,208,274)(H,209,259)(H,210,264)(H,211,279)(H,212,280)(H,213,283)(H,214,281)(H,215,265)(H,216,271)(H,217,275)(H,218,277)(H,219,260)(H,220,272)(H,221,273)(H,222,261)(H,223,269)(H,224,270)(H,225,262)(H,226,255)(H,227,256)(H,228,276)(H,229,282)(H,245,246)(H,247,248)(H,249,250)(H,251,252)(H,253,254)(H4,186,187,195)(H4,188,189,196)(H4,190,191,197)(H4,192,193,198)/t92-,93-,94-,95-,96+,102-,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
40n/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))
BDBM50466556
PNG
(CHEMBL4283846)
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](CO)Cc1ccc(O)cc1 |r|
Show InChI InChI=1S/C180H280N52O54/c1-17-92(12)142(185)171(281)214-116(27-18-19-61-181)175(285)231-67-25-33-131(231)169(279)211-113(53-58-138(247)248)147(257)203-95(15)174(284)230-66-24-32-130(230)168(278)199-82-136(244)205-111(52-57-137(245)246)152(262)225-127(80-141(253)254)157(267)202-94(14)146(256)227-129(85-235)176(286)232-68-26-34-132(232)170(280)212-115(55-60-140(251)252)154(264)210-114(54-59-139(249)250)155(265)215-118(70-88(4)5)159(269)223-125(78-134(183)242)164(274)208-108(29-21-63-196-178(188)189)150(260)219-122(75-99-39-47-105(239)48-40-99)162(272)220-121(74-98-37-45-104(238)46-38-98)156(266)201-93(13)145(255)226-128(84-234)167(277)218-117(69-87(2)3)158(268)207-109(30-22-64-197-179(190)191)151(261)222-124(77-101-81-194-86-200-101)163(273)221-123(76-100-41-49-106(240)50-42-100)161(271)216-119(71-89(6)7)160(270)224-126(79-135(184)243)165(275)217-120(72-90(8)9)166(276)228-143(91(10)11)172(282)229-144(96(16)236)173(283)213-110(31-23-65-198-180(192)193)149(259)209-112(51-56-133(182)241)153(263)206-107(28-20-62-195-177(186)187)148(258)204-102(83-233)73-97-35-43-103(237)44-36-97/h35-50,81,86-96,102,107-132,142-144,233-240H,17-34,51-80,82-85,181,185H2,1-16H3,(H2,182,241)(H2,183,242)(H2,184,243)(H,194,200)(H,199,278)(H,201,266)(H,202,267)(H,203,257)(H,204,258)(H,205,244)(H,206,263)(H,207,268)(H,208,274)(H,209,259)(H,210,264)(H,211,279)(H,212,280)(H,213,283)(H,214,281)(H,215,265)(H,216,271)(H,217,275)(H,218,277)(H,219,260)(H,220,272)(H,221,273)(H,222,261)(H,223,269)(H,224,270)(H,225,262)(H,226,255)(H,227,256)(H,228,276)(H,229,282)(H,245,246)(H,247,248)(H,249,250)(H,251,252)(H,253,254)(H4,186,187,195)(H4,188,189,196)(H4,190,191,197)(H4,192,193,198)/t92-,93-,94-,95-,96+,102-,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
40n/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))
BDBM50466556
PNG
(CHEMBL4283846)
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](CO)Cc1ccc(O)cc1 |r|
Show InChI InChI=1S/C180H280N52O54/c1-17-92(12)142(185)171(281)214-116(27-18-19-61-181)175(285)231-67-25-33-131(231)169(279)211-113(53-58-138(247)248)147(257)203-95(15)174(284)230-66-24-32-130(230)168(278)199-82-136(244)205-111(52-57-137(245)246)152(262)225-127(80-141(253)254)157(267)202-94(14)146(256)227-129(85-235)176(286)232-68-26-34-132(232)170(280)212-115(55-60-140(251)252)154(264)210-114(54-59-139(249)250)155(265)215-118(70-88(4)5)159(269)223-125(78-134(183)242)164(274)208-108(29-21-63-196-178(188)189)150(260)219-122(75-99-39-47-105(239)48-40-99)162(272)220-121(74-98-37-45-104(238)46-38-98)156(266)201-93(13)145(255)226-128(84-234)167(277)218-117(69-87(2)3)158(268)207-109(30-22-64-197-179(190)191)151(261)222-124(77-101-81-194-86-200-101)163(273)221-123(76-100-41-49-106(240)50-42-100)161(271)216-119(71-89(6)7)160(270)224-126(79-135(184)243)165(275)217-120(72-90(8)9)166(276)228-143(91(10)11)172(282)229-144(96(16)236)173(283)213-110(31-23-65-198-180(192)193)149(259)209-112(51-56-133(182)241)153(263)206-107(28-20-62-195-177(186)187)148(258)204-102(83-233)73-97-35-43-103(237)44-36-97/h35-50,81,86-96,102,107-132,142-144,233-240H,17-34,51-80,82-85,181,185H2,1-16H3,(H2,182,241)(H2,183,242)(H2,184,243)(H,194,200)(H,199,278)(H,201,266)(H,202,267)(H,203,257)(H,204,258)(H,205,244)(H,206,263)(H,207,268)(H,208,274)(H,209,259)(H,210,264)(H,211,279)(H,212,280)(H,213,283)(H,214,281)(H,215,265)(H,216,271)(H,217,275)(H,218,277)(H,219,260)(H,220,272)(H,221,273)(H,222,261)(H,223,269)(H,224,270)(H,225,262)(H,226,255)(H,227,256)(H,228,276)(H,229,282)(H,245,246)(H,247,248)(H,249,250)(H,251,252)(H,253,254)(H4,186,187,195)(H4,188,189,196)(H4,190,191,197)(H4,192,193,198)/t92-,93-,94-,95-,96+,102-,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
158n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [125I]-PYY(1 to 36 residues) from human 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))
BDBM50466556
PNG
(CHEMBL4283846)
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](CO)Cc1ccc(O)cc1 |r|
Show InChI InChI=1S/C180H280N52O54/c1-17-92(12)142(185)171(281)214-116(27-18-19-61-181)175(285)231-67-25-33-131(231)169(279)211-113(53-58-138(247)248)147(257)203-95(15)174(284)230-66-24-32-130(230)168(278)199-82-136(244)205-111(52-57-137(245)246)152(262)225-127(80-141(253)254)157(267)202-94(14)146(256)227-129(85-235)176(286)232-68-26-34-132(232)170(280)212-115(55-60-140(251)252)154(264)210-114(54-59-139(249)250)155(265)215-118(70-88(4)5)159(269)223-125(78-134(183)242)164(274)208-108(29-21-63-196-178(188)189)150(260)219-122(75-99-39-47-105(239)48-40-99)162(272)220-121(74-98-37-45-104(238)46-38-98)156(266)201-93(13)145(255)226-128(84-234)167(277)218-117(69-87(2)3)158(268)207-109(30-22-64-197-179(190)191)151(261)222-124(77-101-81-194-86-200-101)163(273)221-123(76-100-41-49-106(240)50-42-100)161(271)216-119(71-89(6)7)160(270)224-126(79-135(184)243)165(275)217-120(72-90(8)9)166(276)228-143(91(10)11)172(282)229-144(96(16)236)173(283)213-110(31-23-65-198-180(192)193)149(259)209-112(51-56-133(182)241)153(263)206-107(28-20-62-195-177(186)187)148(258)204-102(83-233)73-97-35-43-103(237)44-36-97/h35-50,81,86-96,102,107-132,142-144,233-240H,17-34,51-80,82-85,181,185H2,1-16H3,(H2,182,241)(H2,183,242)(H2,184,243)(H,194,200)(H,199,278)(H,201,266)(H,202,267)(H,203,257)(H,204,258)(H,205,244)(H,206,263)(H,207,268)(H,208,274)(H,209,259)(H,210,264)(H,211,279)(H,212,280)(H,213,283)(H,214,281)(H,215,265)(H,216,271)(H,217,275)(H,218,277)(H,219,260)(H,220,272)(H,221,273)(H,222,261)(H,223,269)(H,224,270)(H,225,262)(H,226,255)(H,227,256)(H,228,276)(H,229,282)(H,245,246)(H,247,248)(H,249,250)(H,251,252)(H,253,254)(H4,186,187,195)(H4,188,189,196)(H4,190,191,197)(H4,192,193,198)/t92-,93-,94-,95-,96+,102-,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
160n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [125I]-PYY(1 to 36 residues) from human 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))
BDBM50466556
PNG
(CHEMBL4283846)
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](CO)Cc1ccc(O)cc1 |r|
Show InChI InChI=1S/C180H280N52O54/c1-17-92(12)142(185)171(281)214-116(27-18-19-61-181)175(285)231-67-25-33-131(231)169(279)211-113(53-58-138(247)248)147(257)203-95(15)174(284)230-66-24-32-130(230)168(278)199-82-136(244)205-111(52-57-137(245)246)152(262)225-127(80-141(253)254)157(267)202-94(14)146(256)227-129(85-235)176(286)232-68-26-34-132(232)170(280)212-115(55-60-140(251)252)154(264)210-114(54-59-139(249)250)155(265)215-118(70-88(4)5)159(269)223-125(78-134(183)242)164(274)208-108(29-21-63-196-178(188)189)150(260)219-122(75-99-39-47-105(239)48-40-99)162(272)220-121(74-98-37-45-104(238)46-38-98)156(266)201-93(13)145(255)226-128(84-234)167(277)218-117(69-87(2)3)158(268)207-109(30-22-64-197-179(190)191)151(261)222-124(77-101-81-194-86-200-101)163(273)221-123(76-100-41-49-106(240)50-42-100)161(271)216-119(71-89(6)7)160(270)224-126(79-135(184)243)165(275)217-120(72-90(8)9)166(276)228-143(91(10)11)172(282)229-144(96(16)236)173(283)213-110(31-23-65-198-180(192)193)149(259)209-112(51-56-133(182)241)153(263)206-107(28-20-62-195-177(186)187)148(258)204-102(83-233)73-97-35-43-103(237)44-36-97/h35-50,81,86-96,102,107-132,142-144,233-240H,17-34,51-80,82-85,181,185H2,1-16H3,(H2,182,241)(H2,183,242)(H2,184,243)(H,194,200)(H,199,278)(H,201,266)(H,202,267)(H,203,257)(H,204,258)(H,205,244)(H,206,263)(H,207,268)(H,208,274)(H,209,259)(H,210,264)(H,211,279)(H,212,280)(H,213,283)(H,214,281)(H,215,265)(H,216,271)(H,217,275)(H,218,277)(H,219,260)(H,220,272)(H,221,273)(H,222,261)(H,223,269)(H,224,270)(H,225,262)(H,226,255)(H,227,256)(H,228,276)(H,229,282)(H,245,246)(H,247,248)(H,249,250)(H,251,252)(H,253,254)(H4,186,187,195)(H4,188,189,196)(H4,190,191,197)(H4,192,193,198)/t92-,93-,94-,95-,96+,102-,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
1.26E+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))
BDBM50466556
PNG
(CHEMBL4283846)
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](CO)Cc1ccc(O)cc1 |r|
Show InChI InChI=1S/C180H280N52O54/c1-17-92(12)142(185)171(281)214-116(27-18-19-61-181)175(285)231-67-25-33-131(231)169(279)211-113(53-58-138(247)248)147(257)203-95(15)174(284)230-66-24-32-130(230)168(278)199-82-136(244)205-111(52-57-137(245)246)152(262)225-127(80-141(253)254)157(267)202-94(14)146(256)227-129(85-235)176(286)232-68-26-34-132(232)170(280)212-115(55-60-140(251)252)154(264)210-114(54-59-139(249)250)155(265)215-118(70-88(4)5)159(269)223-125(78-134(183)242)164(274)208-108(29-21-63-196-178(188)189)150(260)219-122(75-99-39-47-105(239)48-40-99)162(272)220-121(74-98-37-45-104(238)46-38-98)156(266)201-93(13)145(255)226-128(84-234)167(277)218-117(69-87(2)3)158(268)207-109(30-22-64-197-179(190)191)151(261)222-124(77-101-81-194-86-200-101)163(273)221-123(76-100-41-49-106(240)50-42-100)161(271)216-119(71-89(6)7)160(270)224-126(79-135(184)243)165(275)217-120(72-90(8)9)166(276)228-143(91(10)11)172(282)229-144(96(16)236)173(283)213-110(31-23-65-198-180(192)193)149(259)209-112(51-56-133(182)241)153(263)206-107(28-20-62-195-177(186)187)148(258)204-102(83-233)73-97-35-43-103(237)44-36-97/h35-50,81,86-96,102,107-132,142-144,233-240H,17-34,51-80,82-85,181,185H2,1-16H3,(H2,182,241)(H2,183,242)(H2,184,243)(H,194,200)(H,199,278)(H,201,266)(H,202,267)(H,203,257)(H,204,258)(H,205,244)(H,206,263)(H,207,268)(H,208,274)(H,209,259)(H,210,264)(H,211,279)(H,212,280)(H,213,283)(H,214,281)(H,215,265)(H,216,271)(H,217,275)(H,218,277)(H,219,260)(H,220,272)(H,221,273)(H,222,261)(H,223,269)(H,224,270)(H,225,262)(H,226,255)(H,227,256)(H,228,276)(H,229,282)(H,245,246)(H,247,248)(H,249,250)(H,251,252)(H,253,254)(H4,186,187,195)(H4,188,189,196)(H4,190,191,197)(H4,192,193,198)/t92-,93-,94-,95-,96+,102-,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
1.30E+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))
BDBM50466556
PNG
(CHEMBL4283846)
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](CO)Cc1ccc(O)cc1 |r|
Show InChI InChI=1S/C180H280N52O54/c1-17-92(12)142(185)171(281)214-116(27-18-19-61-181)175(285)231-67-25-33-131(231)169(279)211-113(53-58-138(247)248)147(257)203-95(15)174(284)230-66-24-32-130(230)168(278)199-82-136(244)205-111(52-57-137(245)246)152(262)225-127(80-141(253)254)157(267)202-94(14)146(256)227-129(85-235)176(286)232-68-26-34-132(232)170(280)212-115(55-60-140(251)252)154(264)210-114(54-59-139(249)250)155(265)215-118(70-88(4)5)159(269)223-125(78-134(183)242)164(274)208-108(29-21-63-196-178(188)189)150(260)219-122(75-99-39-47-105(239)48-40-99)162(272)220-121(74-98-37-45-104(238)46-38-98)156(266)201-93(13)145(255)226-128(84-234)167(277)218-117(69-87(2)3)158(268)207-109(30-22-64-197-179(190)191)151(261)222-124(77-101-81-194-86-200-101)163(273)221-123(76-100-41-49-106(240)50-42-100)161(271)216-119(71-89(6)7)160(270)224-126(79-135(184)243)165(275)217-120(72-90(8)9)166(276)228-143(91(10)11)172(282)229-144(96(16)236)173(283)213-110(31-23-65-198-180(192)193)149(259)209-112(51-56-133(182)241)153(263)206-107(28-20-62-195-177(186)187)148(258)204-102(83-233)73-97-35-43-103(237)44-36-97/h35-50,81,86-96,102,107-132,142-144,233-240H,17-34,51-80,82-85,181,185H2,1-16H3,(H2,182,241)(H2,183,242)(H2,184,243)(H,194,200)(H,199,278)(H,201,266)(H,202,267)(H,203,257)(H,204,258)(H,205,244)(H,206,263)(H,207,268)(H,208,274)(H,209,259)(H,210,264)(H,211,279)(H,212,280)(H,213,283)(H,214,281)(H,215,265)(H,216,271)(H,217,275)(H,218,277)(H,219,260)(H,220,272)(H,221,273)(H,222,261)(H,223,269)(H,224,270)(H,225,262)(H,226,255)(H,227,256)(H,228,276)(H,229,282)(H,245,246)(H,247,248)(H,249,250)(H,251,252)(H,253,254)(H4,186,187,195)(H4,188,189,196)(H4,190,191,197)(H4,192,193,198)/t92-,93-,94-,95-,96+,102-,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
1.59E+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))
BDBM50466556
PNG
(CHEMBL4283846)
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](CO)Cc1ccc(O)cc1 |r|
Show InChI InChI=1S/C180H280N52O54/c1-17-92(12)142(185)171(281)214-116(27-18-19-61-181)175(285)231-67-25-33-131(231)169(279)211-113(53-58-138(247)248)147(257)203-95(15)174(284)230-66-24-32-130(230)168(278)199-82-136(244)205-111(52-57-137(245)246)152(262)225-127(80-141(253)254)157(267)202-94(14)146(256)227-129(85-235)176(286)232-68-26-34-132(232)170(280)212-115(55-60-140(251)252)154(264)210-114(54-59-139(249)250)155(265)215-118(70-88(4)5)159(269)223-125(78-134(183)242)164(274)208-108(29-21-63-196-178(188)189)150(260)219-122(75-99-39-47-105(239)48-40-99)162(272)220-121(74-98-37-45-104(238)46-38-98)156(266)201-93(13)145(255)226-128(84-234)167(277)218-117(69-87(2)3)158(268)207-109(30-22-64-197-179(190)191)151(261)222-124(77-101-81-194-86-200-101)163(273)221-123(76-100-41-49-106(240)50-42-100)161(271)216-119(71-89(6)7)160(270)224-126(79-135(184)243)165(275)217-120(72-90(8)9)166(276)228-143(91(10)11)172(282)229-144(96(16)236)173(283)213-110(31-23-65-198-180(192)193)149(259)209-112(51-56-133(182)241)153(263)206-107(28-20-62-195-177(186)187)148(258)204-102(83-233)73-97-35-43-103(237)44-36-97/h35-50,81,86-96,102,107-132,142-144,233-240H,17-34,51-80,82-85,181,185H2,1-16H3,(H2,182,241)(H2,183,242)(H2,184,243)(H,194,200)(H,199,278)(H,201,266)(H,202,267)(H,203,257)(H,204,258)(H,205,244)(H,206,263)(H,207,268)(H,208,274)(H,209,259)(H,210,264)(H,211,279)(H,212,280)(H,213,283)(H,214,281)(H,215,265)(H,216,271)(H,217,275)(H,218,277)(H,219,260)(H,220,272)(H,221,273)(H,222,261)(H,223,269)(H,224,270)(H,225,262)(H,226,255)(H,227,256)(H,228,276)(H,229,282)(H,245,246)(H,247,248)(H,249,250)(H,251,252)(H,253,254)(H4,186,187,195)(H4,188,189,196)(H4,190,191,197)(H4,192,193,198)/t92-,93-,94-,95-,96+,102-,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
1.60E+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