Found 81 hits with Last Name = 'dhawan' and Initial = 'vc' Target/Host
(Institution) | Ligand | Target/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 | pH | Temp
°C |
|---|
Neuropeptide Y receptor type 4
(Homo sapiens (Human)) | BDBM50185364
(CHEMBL2371908 | CHEMBL415187 | Sub[-Tyr-Arg-Leu-Ar...)Show SMILES [#6]-[#6](-[#6])-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-[#6]-[#6]-[#6]-[#6@H](-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccc(-[#8])cc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccc(-[#8])cc1)-[#6](-[#8])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccc(-[#8])cc1)-[#6](-[#8])=O Show InChI InChI=1S/C80H122N24O18/c1-43(2)37-59(71(115)95-57(15-9-35-93-79(87)88)69(113)103-63(75(119)120)41-47-21-29-51(107)30-22-47)101-67(111)55(13-7-33-91-77(83)84)97-73(117)61(39-45-17-25-49(105)26-18-45)99-65(109)53(81)11-5-6-12-54(82)66(110)100-62(40-46-19-27-50(106)28-20-46)74(118)98-56(14-8-34-92-78(85)86)68(112)102-60(38-44(3)4)72(116)96-58(16-10-36-94-80(89)90)70(114)104-64(76(121)122)42-48-23-31-52(108)32-24-48/h17-32,43-44,53-64,105-108H,5-16,33-42,81-82H2,1-4H3,(H,95,115)(H,96,116)(H,97,117)(H,98,118)(H,99,109)(H,100,110)(H,101,111)(H,102,112)(H,103,113)(H,104,114)(H,119,120)(H,121,122)(H4,83,84,91)(H4,85,86,92)(H4,87,88,93)(H4,89,90,94)/t53?,54?,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.0500 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Cincinnati
Curated by ChEMBL
| Assay Description
Displacement of [125I]hPP from human NPY4 receptor expressed in CHO cells |
J Med Chem 49: 2661-5 (2006)
Article DOI: 10.1021/jm050907d
BindingDB Entry DOI: 10.7270/Q2XS5TZ9 |
More data for this
Ligand-Target Pair | |
Neuropeptide Y receptor type 1
(Homo sapiens (Human)) | BDBM50409214
(CHEMBL2110365 | GR-231118)Show SMILES CC[C@H](C)[C@H](N)C(=O)N[C@H]1CCC(=O)NC[C@H](NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCC(=O)NC[C@H](NC(=O)[C@@H]2CCCN2C1=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)NC(=O)[C@@H](N)[C@@H](C)CC)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O Show InChI InChI=1S/C110H170N34O24/c1-9-59(7)87(111)103(165)133-73-39-41-85(149)127-55-81(99(161)139-79(53-63-27-35-67(147)36-28-63)97(159)131-71(19-13-45-125-109(119)120)93(155)137-77(49-57(3)4)95(157)129-69(17-11-43-123-107(115)116)91(153)135-75(89(113)151)51-61-23-31-65(145)32-24-61)142-102(164)84-22-16-48-144(84)106(168)74(134-104(166)88(112)60(8)10-2)40-42-86(150)128-56-82(141-101(163)83-21-15-47-143(83)105(73)167)100(162)140-80(54-64-29-37-68(148)38-30-64)98(160)132-72(20-14-46-126-110(121)122)94(156)138-78(50-58(5)6)96(158)130-70(18-12-44-124-108(117)118)92(154)136-76(90(114)152)52-62-25-33-66(146)34-26-62/h23-38,57-60,69-84,87-88,145-148H,9-22,39-56,111-112H2,1-8H3,(H2,113,151)(H2,114,152)(H,127,149)(H,128,150)(H,129,157)(H,130,158)(H,131,159)(H,132,160)(H,133,165)(H,134,166)(H,135,153)(H,136,154)(H,137,155)(H,138,156)(H,139,161)(H,140,162)(H,141,163)(H,142,164)(H4,115,116,123)(H4,117,118,124)(H4,119,120,125)(H4,121,122,126)/t59-,60-,69-,70-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,87-,88-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| PubMed
| 0.0700 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Cincinnati and VA Medical Centers
Curated by ChEMBL
| Assay Description
Affinity for cloned Y1 receptor using [125I]-PYY as radioligand |
J Med Chem 44: 1479-82 (2001)
BindingDB Entry DOI: 10.7270/Q2RJ4HRJ |
More data for this
Ligand-Target Pair | |
Neuropeptide Y receptor type 4
(Homo sapiens (Human)) | BDBM50099198
(CHEMBL429531 | Tyr-Pro-Ser-Lys-Pro-Asp-Asn-Pro-Gly...)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O Show InChI InChI=1S/C190H286N54O56/c1-16-96(10)150(180(294)234-130(82-142(193)253)168(282)225-124(74-94(6)7)164(278)226-125(75-95(8)9)171(285)239-151(101(15)247)181(295)221-120(32-22-66-208-190(202)203)185(299)243-70-26-36-140(243)177(291)219-116(31-21-65-207-189(200)201)156(270)222-121(152(195)266)77-103-40-50-109(249)51-41-103)238-172(286)128(80-106-46-56-112(252)57-47-106)229-167(281)129(81-107-87-204-91-210-107)230-158(272)115(30-20-64-206-188(198)199)218-163(277)123(73-93(4)5)223-155(269)98(12)212-173(287)135(89-245)236-166(280)127(79-105-44-54-111(251)55-45-105)228-165(279)126(78-104-42-52-110(250)53-43-104)227-157(271)114(29-19-63-205-187(196)197)216-153(267)97(11)211-161(275)122(72-92(2)3)224-169(283)132(85-148(262)263)232-160(274)118(59-61-146(258)259)217-154(268)99(13)213-176(290)138-34-24-67-240(138)182(296)100(14)214-162(276)131(84-147(260)261)231-159(273)117(58-60-145(256)257)215-144(255)88-209-175(289)137-33-23-69-242(137)186(300)134(83-143(194)254)235-170(284)133(86-149(264)265)233-178(292)141-37-27-71-244(141)184(298)119(28-17-18-62-191)220-174(288)136(90-246)237-179(293)139-35-25-68-241(139)183(297)113(192)76-102-38-48-108(248)49-39-102/h38-57,87,91-101,113-141,150-151,245-252H,16-37,58-86,88-90,191-192H2,1-15H3,(H2,193,253)(H2,194,254)(H2,195,266)(H,204,210)(H,209,289)(H,211,275)(H,212,287)(H,213,290)(H,214,276)(H,215,255)(H,216,267)(H,217,268)(H,218,277)(H,219,291)(H,220,288)(H,221,295)(H,222,270)(H,223,269)(H,224,283)(H,225,282)(H,226,278)(H,227,271)(H,228,279)(H,229,281)(H,230,272)(H,231,273)(H,232,274)(H,233,292)(H,234,294)(H,235,284)(H,236,280)(H,237,293)(H,238,286)(H,239,285)(H,256,257)(H,258,259)(H,260,261)(H,262,263)(H,264,265)(H4,196,197,205)(H4,198,199,206)(H4,200,201,207)(H4,202,203,208)/t96-,97-,98-,99-,100-,101+,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,135-,136-,137-,138-,139-,140-,141-,150-,151-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 0.0800 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Cincinnati and VA Medical Centers
Curated by ChEMBL
| Assay Description
Affinity for cloned Y4 receptor using [125I]-PP as radioligand |
J Med Chem 44: 1479-82 (2001)
BindingDB Entry DOI: 10.7270/Q2RJ4HRJ |
More data for this
Ligand-Target Pair | |
Neuropeptide Y receptor type 2
(Homo sapiens (Human)) | BDBM50099198
(CHEMBL429531 | Tyr-Pro-Ser-Lys-Pro-Asp-Asn-Pro-Gly...)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O Show InChI InChI=1S/C190H286N54O56/c1-16-96(10)150(180(294)234-130(82-142(193)253)168(282)225-124(74-94(6)7)164(278)226-125(75-95(8)9)171(285)239-151(101(15)247)181(295)221-120(32-22-66-208-190(202)203)185(299)243-70-26-36-140(243)177(291)219-116(31-21-65-207-189(200)201)156(270)222-121(152(195)266)77-103-40-50-109(249)51-41-103)238-172(286)128(80-106-46-56-112(252)57-47-106)229-167(281)129(81-107-87-204-91-210-107)230-158(272)115(30-20-64-206-188(198)199)218-163(277)123(73-93(4)5)223-155(269)98(12)212-173(287)135(89-245)236-166(280)127(79-105-44-54-111(251)55-45-105)228-165(279)126(78-104-42-52-110(250)53-43-104)227-157(271)114(29-19-63-205-187(196)197)216-153(267)97(11)211-161(275)122(72-92(2)3)224-169(283)132(85-148(262)263)232-160(274)118(59-61-146(258)259)217-154(268)99(13)213-176(290)138-34-24-67-240(138)182(296)100(14)214-162(276)131(84-147(260)261)231-159(273)117(58-60-145(256)257)215-144(255)88-209-175(289)137-33-23-69-242(137)186(300)134(83-143(194)254)235-170(284)133(86-149(264)265)233-178(292)141-37-27-71-244(141)184(298)119(28-17-18-62-191)220-174(288)136(90-246)237-179(293)139-35-25-68-241(139)183(297)113(192)76-102-38-48-108(248)49-39-102/h38-57,87,91-101,113-141,150-151,245-252H,16-37,58-86,88-90,191-192H2,1-15H3,(H2,193,253)(H2,194,254)(H2,195,266)(H,204,210)(H,209,289)(H,211,275)(H,212,287)(H,213,290)(H,214,276)(H,215,255)(H,216,267)(H,217,268)(H,218,277)(H,219,291)(H,220,288)(H,221,295)(H,222,270)(H,223,269)(H,224,283)(H,225,282)(H,226,278)(H,227,271)(H,228,279)(H,229,281)(H,230,272)(H,231,273)(H,232,274)(H,233,292)(H,234,294)(H,235,284)(H,236,280)(H,237,293)(H,238,286)(H,239,285)(H,256,257)(H,258,259)(H,260,261)(H,262,263)(H,264,265)(H4,196,197,205)(H4,198,199,206)(H4,200,201,207)(H4,202,203,208)/t96-,97-,98-,99-,100-,101+,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,135-,136-,137-,138-,139-,140-,141-,150-,151-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 0.230 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Cincinnati and VA Medical Centers
Curated by ChEMBL
| Assay Description
Affinity for cloned Y2 receptor using [125I]-PYY as radioligand |
J Med Chem 44: 1479-82 (2001)
BindingDB Entry DOI: 10.7270/Q2RJ4HRJ |
More data for this
Ligand-Target Pair | |
Neuropeptide Y receptor type 4
(Homo sapiens (Human)) | BDBM50409214
(CHEMBL2110365 | GR-231118)Show SMILES CC[C@H](C)[C@H](N)C(=O)N[C@H]1CCC(=O)NC[C@H](NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCC(=O)NC[C@H](NC(=O)[C@@H]2CCCN2C1=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)NC(=O)[C@@H](N)[C@@H](C)CC)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O Show InChI InChI=1S/C110H170N34O24/c1-9-59(7)87(111)103(165)133-73-39-41-85(149)127-55-81(99(161)139-79(53-63-27-35-67(147)36-28-63)97(159)131-71(19-13-45-125-109(119)120)93(155)137-77(49-57(3)4)95(157)129-69(17-11-43-123-107(115)116)91(153)135-75(89(113)151)51-61-23-31-65(145)32-24-61)142-102(164)84-22-16-48-144(84)106(168)74(134-104(166)88(112)60(8)10-2)40-42-86(150)128-56-82(141-101(163)83-21-15-47-143(83)105(73)167)100(162)140-80(54-64-29-37-68(148)38-30-64)98(160)132-72(20-14-46-126-110(121)122)94(156)138-78(50-58(5)6)96(158)130-70(18-12-44-124-108(117)118)92(154)136-76(90(114)152)52-62-25-33-66(146)34-26-62/h23-38,57-60,69-84,87-88,145-148H,9-22,39-56,111-112H2,1-8H3,(H2,113,151)(H2,114,152)(H,127,149)(H,128,150)(H,129,157)(H,130,158)(H,131,159)(H,132,160)(H,133,165)(H,134,166)(H,135,153)(H,136,154)(H,137,155)(H,138,156)(H,139,161)(H,140,162)(H,141,163)(H,142,164)(H4,115,116,123)(H4,117,118,124)(H4,119,120,125)(H4,121,122,126)/t59-,60-,69-,70-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,87-,88-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| PubMed
| 0.260 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Cincinnati and VA Medical Centers
Curated by ChEMBL
| Assay Description
Affinity for cloned Y4 receptor using [125I]-PP as radioligand |
J Med Chem 44: 1479-82 (2001)
BindingDB Entry DOI: 10.7270/Q2RJ4HRJ |
More data for this
Ligand-Target Pair | |
Neuropeptide Y receptor type 1
(Homo sapiens (Human)) | BDBM50099197
(CHEMBL411117 | Ile-Glu-Pro-Dpr-Tyr-Arg-Leu-Arg-Tyr...)Show SMILES CC[C@H](C)[C@H](N)C(=O)N[C@@H]1CCC(=O)NC[C@@H](NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCC(=O)NC[C@H](NC(=O)[C@@H]2CCCN2C1=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)OC)NC(=O)[C@@H](N)[C@@H](C)CC)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)OC Show InChI InChI=1S/C112H172N32O26/c1-11-61(7)89(113)103(163)133-75-41-43-87(149)127-57-83(99(159)137-79(53-63-25-33-67(145)34-26-63)97(157)131-71(19-13-45-123-109(115)116)91(151)135-77(51-59(3)4)95(155)129-73(21-15-47-125-111(119)120)93(153)139-81(107(167)169-9)55-65-29-37-69(147)38-30-65)142-102(162)86-24-18-50-144(86)106(166)76(134-104(164)90(114)62(8)12-2)42-44-88(150)128-58-84(141-101(161)85-23-17-49-143(85)105(75)165)100(160)138-80(54-64-27-35-68(146)36-28-64)98(158)132-72(20-14-46-124-110(117)118)92(152)136-78(52-60(5)6)96(156)130-74(22-16-48-126-112(121)122)94(154)140-82(108(168)170-10)56-66-31-39-70(148)40-32-66/h25-40,59-62,71-86,89-90,145-148H,11-24,41-58,113-114H2,1-10H3,(H,127,149)(H,128,150)(H,129,155)(H,130,156)(H,131,157)(H,132,158)(H,133,163)(H,134,164)(H,135,151)(H,136,152)(H,137,159)(H,138,160)(H,139,153)(H,140,154)(H,141,161)(H,142,162)(H4,115,116,123)(H4,117,118,124)(H4,119,120,125)(H4,121,122,126)/t61-,62-,71-,72-,73-,74-,75-,76+,77-,78-,79-,80-,81-,82-,83-,84+,85-,86-,89-,90-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 0.270 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Cincinnati and VA Medical Centers
Curated by ChEMBL
| Assay Description
Affinity for cloned Y1 receptor using [125I]-PYY as radioligand |
J Med Chem 44: 1479-82 (2001)
BindingDB Entry DOI: 10.7270/Q2RJ4HRJ |
More data for this
Ligand-Target Pair | |
Neuropeptide Y receptor type 1
(Homo sapiens (Human)) | BDBM50099200
(CHEMBL410166 | Ile-Glu-Pro-Dpr-Tyr-Arg-Leu-Arg-(CH...)Show SMILES CC[C@H](C)[C@H](N)C(=O)N[C@@H]1CCC(=O)NC[C@@H](NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCC(=O)NC[C@H](NC(=O)[C@@H]2CCCN2C1=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)CN[C@@H](Cc1ccc(O)cc1)C(N)=O)NC(=O)[C@@H](N)[C@@H](C)CC)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)CN[C@@H](Cc1ccc(O)cc1)C(N)=O Show InChI InChI=1S/C110H174N34O22/c1-9-61(7)89(111)103(163)135-75-39-41-87(149)129-57-83(99(159)139-81(53-65-27-35-71(147)36-28-65)97(157)133-73(19-13-45-125-109(119)120)93(153)137-79(49-59(3)4)95(155)131-67(17-11-43-123-107(115)116)55-127-77(91(113)151)51-63-23-31-69(145)32-24-63)142-102(162)86-22-16-48-144(86)106(166)76(136-104(164)90(112)62(8)10-2)40-42-88(150)130-58-84(141-101(161)85-21-15-47-143(85)105(75)165)100(160)140-82(54-66-29-37-72(148)38-30-66)98(158)134-74(20-14-46-126-110(121)122)94(154)138-80(50-60(5)6)96(156)132-68(18-12-44-124-108(117)118)56-128-78(92(114)152)52-64-25-33-70(146)34-26-64/h23-38,59-62,67-68,73-86,89-90,127-128,145-148H,9-22,39-58,111-112H2,1-8H3,(H2,113,151)(H2,114,152)(H,129,149)(H,130,150)(H,131,155)(H,132,156)(H,133,157)(H,134,158)(H,135,163)(H,136,164)(H,137,153)(H,138,154)(H,139,159)(H,140,160)(H,141,161)(H,142,162)(H4,115,116,123)(H4,117,118,124)(H4,119,120,125)(H4,121,122,126)/t61-,62-,67-,68-,73-,74-,75-,76+,77-,78-,79-,80-,81-,82-,83-,84+,85-,86-,89-,90-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 0.460 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Cincinnati and VA Medical Centers
Curated by ChEMBL
| Assay Description
Affinity for cloned Y1 receptor using [125I]-PYY as radioligand |
J Med Chem 44: 1479-82 (2001)
BindingDB Entry DOI: 10.7270/Q2RJ4HRJ |
More data for this
Ligand-Target Pair | |
Neuropeptide Y receptor type 1
(Homo sapiens (Human)) | BDBM50099198
(CHEMBL429531 | Tyr-Pro-Ser-Lys-Pro-Asp-Asn-Pro-Gly...)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O Show InChI InChI=1S/C190H286N54O56/c1-16-96(10)150(180(294)234-130(82-142(193)253)168(282)225-124(74-94(6)7)164(278)226-125(75-95(8)9)171(285)239-151(101(15)247)181(295)221-120(32-22-66-208-190(202)203)185(299)243-70-26-36-140(243)177(291)219-116(31-21-65-207-189(200)201)156(270)222-121(152(195)266)77-103-40-50-109(249)51-41-103)238-172(286)128(80-106-46-56-112(252)57-47-106)229-167(281)129(81-107-87-204-91-210-107)230-158(272)115(30-20-64-206-188(198)199)218-163(277)123(73-93(4)5)223-155(269)98(12)212-173(287)135(89-245)236-166(280)127(79-105-44-54-111(251)55-45-105)228-165(279)126(78-104-42-52-110(250)53-43-104)227-157(271)114(29-19-63-205-187(196)197)216-153(267)97(11)211-161(275)122(72-92(2)3)224-169(283)132(85-148(262)263)232-160(274)118(59-61-146(258)259)217-154(268)99(13)213-176(290)138-34-24-67-240(138)182(296)100(14)214-162(276)131(84-147(260)261)231-159(273)117(58-60-145(256)257)215-144(255)88-209-175(289)137-33-23-69-242(137)186(300)134(83-143(194)254)235-170(284)133(86-149(264)265)233-178(292)141-37-27-71-244(141)184(298)119(28-17-18-62-191)220-174(288)136(90-246)237-179(293)139-35-25-68-241(139)183(297)113(192)76-102-38-48-108(248)49-39-102/h38-57,87,91-101,113-141,150-151,245-252H,16-37,58-86,88-90,191-192H2,1-15H3,(H2,193,253)(H2,194,254)(H2,195,266)(H,204,210)(H,209,289)(H,211,275)(H,212,287)(H,213,290)(H,214,276)(H,215,255)(H,216,267)(H,217,268)(H,218,277)(H,219,291)(H,220,288)(H,221,295)(H,222,270)(H,223,269)(H,224,283)(H,225,282)(H,226,278)(H,227,271)(H,228,279)(H,229,281)(H,230,272)(H,231,273)(H,232,274)(H,233,292)(H,234,294)(H,235,284)(H,236,280)(H,237,293)(H,238,286)(H,239,285)(H,256,257)(H,258,259)(H,260,261)(H,262,263)(H,264,265)(H4,196,197,205)(H4,198,199,206)(H4,200,201,207)(H4,202,203,208)/t96-,97-,98-,99-,100-,101+,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,135-,136-,137-,138-,139-,140-,141-,150-,151-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 0.520 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Cincinnati and VA Medical Centers
Curated by ChEMBL
| Assay Description
Affinity for cloned Y1 receptor using [125I]-PYY as radioligand |
J Med Chem 44: 1479-82 (2001)
BindingDB Entry DOI: 10.7270/Q2RJ4HRJ |
More data for this
Ligand-Target Pair | |
Neuropeptide Y receptor type 4
(Homo sapiens (Human)) | BDBM50185366
(CHEMBL2371911 | CHEMBL436499 | Sub[-Trp-Arg-Nva-Ar...)Show SMILES CCC[C@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)CCCC[C@H](N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O |wU:3.3,18.18,75.79,68.71,43.45,101.106,32.35,wD:112.117,7.7,86.90,57.61,38.39,(13.8,-37.49,;13.73,-39.03,;15.03,-39.86,;14.95,-41.4,;13.59,-42.11,;12.29,-41.28,;12.35,-39.74,;10.92,-41.99,;10.85,-43.53,;12.15,-44.36,;12.08,-45.89,;13.39,-46.72,;13.31,-48.26,;11.94,-48.97,;14.61,-49.09,;9.62,-41.16,;8.26,-41.87,;8.19,-43.41,;6.96,-41.04,;7.03,-39.5,;8.39,-38.79,;9.78,-39.46,;10.85,-38.35,;10.14,-36.98,;10.66,-35.53,;9.67,-34.34,;8.15,-34.59,;7.62,-36.04,;8.6,-37.24,;5.58,-41.75,;4.22,-41.06,;4.14,-39.53,;2.94,-41.89,;3.02,-43.41,;1.58,-41.19,;1.51,-39.66,;.15,-38.97,;.07,-37.45,;-1.29,-36.75,;-2.57,-37.58,;-1.37,-35.23,;-.09,-34.4,;-2.73,-34.54,;-2.73,-32.99,;-4.07,-32.23,;-4.07,-30.69,;-2.85,-29.76,;-3.35,-28.3,;-4.89,-28.31,;-5.94,-27.17,;-7.45,-27.52,;-7.91,-28.99,;-6.87,-30.12,;-5.36,-29.79,;-1.4,-32.22,;-.06,-32.98,;-1.41,-30.68,;-.08,-29.9,;1.26,-30.66,;2.59,-29.89,;3.93,-30.65,;5.26,-29.87,;6.6,-30.64,;6.61,-32.18,;7.93,-29.87,;-.08,-28.36,;-1.42,-27.6,;1.25,-27.58,;1.24,-26.05,;-.1,-25.27,;-1.43,-26.05,;-2.76,-25.29,;2.57,-25.26,;3.91,-26.03,;2.57,-23.72,;1.23,-22.96,;-.1,-23.73,;-1.44,-22.97,;-2.77,-23.75,;-4.11,-22.98,;-5.43,-23.77,;-5.43,-25.3,;-6.78,-22.99,;1.22,-21.42,;2.55,-20.64,;-.11,-20.67,;-.12,-19.11,;1.22,-18.34,;1.21,-16.79,;-.01,-16.09,;-.02,-14.7,;1.19,-14,;1.19,-12.45,;2.41,-14.68,;2.41,-16.09,;-1.46,-18.34,;-1.46,-16.79,;-2.79,-19.13,;16.26,-42.22,;16.19,-43.76,;17.62,-41.51,;17.69,-39.97,;16.39,-39.15,;16.46,-37.61,;15.16,-36.78,;15.23,-35.24,;13.93,-34.41,;12.56,-35.12,;14,-32.87,;19.06,-39.26,;20.36,-40.09,;19.12,-37.72,;20.5,-37.01,;21.79,-37.84,;23.16,-37.14,;23.22,-35.74,;24.47,-35.09,;25.64,-35.85,;27.01,-35.13,;25.59,-37.25,;24.34,-37.89,;20.57,-35.48,;21.93,-34.76,;19.26,-34.65,)| Show InChI InChI=1S/C82H122N28O14/c1-3-15-57(71(117)103-61(25-13-37-97-81(91)92)75(121)107-63(67(85)113)39-45-27-31-49(111)32-28-45)101-73(119)59(23-11-35-95-79(87)88)105-77(123)65(41-47-43-99-55-21-9-5-17-51(47)55)109-69(115)53(83)19-7-8-20-54(84)70(116)110-66(42-48-44-100-56-22-10-6-18-52(48)56)78(124)106-60(24-12-36-96-80(89)90)74(120)102-58(16-4-2)72(118)104-62(26-14-38-98-82(93)94)76(122)108-64(68(86)114)40-46-29-33-50(112)34-30-46/h5-6,9-10,17-18,21-22,27-34,43-44,53-54,57-66,99-100,111-112H,3-4,7-8,11-16,19-20,23-26,35-42,83-84H2,1-2H3,(H2,85,113)(H2,86,114)(H,101,119)(H,102,120)(H,103,117)(H,104,118)(H,105,123)(H,106,124)(H,107,121)(H,108,122)(H,109,115)(H,110,116)(H4,87,88,95)(H4,89,90,96)(H4,91,92,97)(H4,93,94,98)/t53?,54?,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Cincinnati
Curated by ChEMBL
| Assay Description
Reduced farnesylation of H-ras transformed NIH3T3 cells |
J Med Chem 49: 2661-5 (2006)
Article DOI: 10.1021/jm050907d
BindingDB Entry DOI: 10.7270/Q2XS5TZ9 |
More data for this
Ligand-Target Pair | |
Neuropeptide Y receptor type 4
(Homo sapiens (Human)) | BDBM50185366
(CHEMBL2371911 | CHEMBL436499 | Sub[-Trp-Arg-Nva-Ar...)Show SMILES CCC[C@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)CCCC[C@H](N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O |wU:3.3,18.18,75.79,68.71,43.45,101.106,32.35,wD:112.117,7.7,86.90,57.61,38.39,(13.8,-37.49,;13.73,-39.03,;15.03,-39.86,;14.95,-41.4,;13.59,-42.11,;12.29,-41.28,;12.35,-39.74,;10.92,-41.99,;10.85,-43.53,;12.15,-44.36,;12.08,-45.89,;13.39,-46.72,;13.31,-48.26,;11.94,-48.97,;14.61,-49.09,;9.62,-41.16,;8.26,-41.87,;8.19,-43.41,;6.96,-41.04,;7.03,-39.5,;8.39,-38.79,;9.78,-39.46,;10.85,-38.35,;10.14,-36.98,;10.66,-35.53,;9.67,-34.34,;8.15,-34.59,;7.62,-36.04,;8.6,-37.24,;5.58,-41.75,;4.22,-41.06,;4.14,-39.53,;2.94,-41.89,;3.02,-43.41,;1.58,-41.19,;1.51,-39.66,;.15,-38.97,;.07,-37.45,;-1.29,-36.75,;-2.57,-37.58,;-1.37,-35.23,;-.09,-34.4,;-2.73,-34.54,;-2.73,-32.99,;-4.07,-32.23,;-4.07,-30.69,;-2.85,-29.76,;-3.35,-28.3,;-4.89,-28.31,;-5.94,-27.17,;-7.45,-27.52,;-7.91,-28.99,;-6.87,-30.12,;-5.36,-29.79,;-1.4,-32.22,;-.06,-32.98,;-1.41,-30.68,;-.08,-29.9,;1.26,-30.66,;2.59,-29.89,;3.93,-30.65,;5.26,-29.87,;6.6,-30.64,;6.61,-32.18,;7.93,-29.87,;-.08,-28.36,;-1.42,-27.6,;1.25,-27.58,;1.24,-26.05,;-.1,-25.27,;-1.43,-26.05,;-2.76,-25.29,;2.57,-25.26,;3.91,-26.03,;2.57,-23.72,;1.23,-22.96,;-.1,-23.73,;-1.44,-22.97,;-2.77,-23.75,;-4.11,-22.98,;-5.43,-23.77,;-5.43,-25.3,;-6.78,-22.99,;1.22,-21.42,;2.55,-20.64,;-.11,-20.67,;-.12,-19.11,;1.22,-18.34,;1.21,-16.79,;-.01,-16.09,;-.02,-14.7,;1.19,-14,;1.19,-12.45,;2.41,-14.68,;2.41,-16.09,;-1.46,-18.34,;-1.46,-16.79,;-2.79,-19.13,;16.26,-42.22,;16.19,-43.76,;17.62,-41.51,;17.69,-39.97,;16.39,-39.15,;16.46,-37.61,;15.16,-36.78,;15.23,-35.24,;13.93,-34.41,;12.56,-35.12,;14,-32.87,;19.06,-39.26,;20.36,-40.09,;19.12,-37.72,;20.5,-37.01,;21.79,-37.84,;23.16,-37.14,;23.22,-35.74,;24.47,-35.09,;25.64,-35.85,;27.01,-35.13,;25.59,-37.25,;24.34,-37.89,;20.57,-35.48,;21.93,-34.76,;19.26,-34.65,)| Show InChI InChI=1S/C82H122N28O14/c1-3-15-57(71(117)103-61(25-13-37-97-81(91)92)75(121)107-63(67(85)113)39-45-27-31-49(111)32-28-45)101-73(119)59(23-11-35-95-79(87)88)105-77(123)65(41-47-43-99-55-21-9-5-17-51(47)55)109-69(115)53(83)19-7-8-20-54(84)70(116)110-66(42-48-44-100-56-22-10-6-18-52(48)56)78(124)106-60(24-12-36-96-80(89)90)74(120)102-58(16-4-2)72(118)104-62(26-14-38-98-82(93)94)76(122)108-64(68(86)114)40-46-29-33-50(112)34-30-46/h5-6,9-10,17-18,21-22,27-34,43-44,53-54,57-66,99-100,111-112H,3-4,7-8,11-16,19-20,23-26,35-42,83-84H2,1-2H3,(H2,85,113)(H2,86,114)(H,101,119)(H,102,120)(H,103,117)(H,104,118)(H,105,123)(H,106,124)(H,107,121)(H,108,122)(H,109,115)(H,110,116)(H4,87,88,95)(H4,89,90,96)(H4,91,92,97)(H4,93,94,98)/t53?,54?,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Cincinnati
Curated by ChEMBL
| Assay Description
Inhibition of [3H]-FPP incorporation into biotin-linked K-ras decapeptide (CVIM) by bovine farnesyltransferase |
J Med Chem 49: 2661-5 (2006)
Article DOI: 10.1021/jm050907d
BindingDB Entry DOI: 10.7270/Q2XS5TZ9 |
More data for this
Ligand-Target Pair | |
Neuropeptide Y receptor type 5
(Homo sapiens (Human)) | BDBM50099198
(CHEMBL429531 | Tyr-Pro-Ser-Lys-Pro-Asp-Asn-Pro-Gly...)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O Show InChI InChI=1S/C190H286N54O56/c1-16-96(10)150(180(294)234-130(82-142(193)253)168(282)225-124(74-94(6)7)164(278)226-125(75-95(8)9)171(285)239-151(101(15)247)181(295)221-120(32-22-66-208-190(202)203)185(299)243-70-26-36-140(243)177(291)219-116(31-21-65-207-189(200)201)156(270)222-121(152(195)266)77-103-40-50-109(249)51-41-103)238-172(286)128(80-106-46-56-112(252)57-47-106)229-167(281)129(81-107-87-204-91-210-107)230-158(272)115(30-20-64-206-188(198)199)218-163(277)123(73-93(4)5)223-155(269)98(12)212-173(287)135(89-245)236-166(280)127(79-105-44-54-111(251)55-45-105)228-165(279)126(78-104-42-52-110(250)53-43-104)227-157(271)114(29-19-63-205-187(196)197)216-153(267)97(11)211-161(275)122(72-92(2)3)224-169(283)132(85-148(262)263)232-160(274)118(59-61-146(258)259)217-154(268)99(13)213-176(290)138-34-24-67-240(138)182(296)100(14)214-162(276)131(84-147(260)261)231-159(273)117(58-60-145(256)257)215-144(255)88-209-175(289)137-33-23-69-242(137)186(300)134(83-143(194)254)235-170(284)133(86-149(264)265)233-178(292)141-37-27-71-244(141)184(298)119(28-17-18-62-191)220-174(288)136(90-246)237-179(293)139-35-25-68-241(139)183(297)113(192)76-102-38-48-108(248)49-39-102/h38-57,87,91-101,113-141,150-151,245-252H,16-37,58-86,88-90,191-192H2,1-15H3,(H2,193,253)(H2,194,254)(H2,195,266)(H,204,210)(H,209,289)(H,211,275)(H,212,287)(H,213,290)(H,214,276)(H,215,255)(H,216,267)(H,217,268)(H,218,277)(H,219,291)(H,220,288)(H,221,295)(H,222,270)(H,223,269)(H,224,283)(H,225,282)(H,226,278)(H,227,271)(H,228,279)(H,229,281)(H,230,272)(H,231,273)(H,232,274)(H,233,292)(H,234,294)(H,235,284)(H,236,280)(H,237,293)(H,238,286)(H,239,285)(H,256,257)(H,258,259)(H,260,261)(H,262,263)(H,264,265)(H4,196,197,205)(H4,198,199,206)(H4,200,201,207)(H4,202,203,208)/t96-,97-,98-,99-,100-,101+,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,135-,136-,137-,138-,139-,140-,141-,150-,151-/m0/s1 | KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 2.21 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Cincinnati and VA Medical Centers
Curated by ChEMBL
| Assay Description
Affinity for cloned Y5 receptor using [125I]-PYY as radioligand |
J Med Chem 44: 1479-82 (2001)
BindingDB Entry DOI: 10.7270/Q2RJ4HRJ |
More data for this
Ligand-Target Pair | |
Neuropeptide Y receptor type 1
(Homo sapiens (Human)) | BDBM50099201
(CHEMBL413455 | Ile-Asn-Pro-Cys-Tyr-Arg-Leu-Arg-(CH...)Show SMILES CC[C@H](C)[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@H](CSSC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@@H](N)[C@@H](C)CC)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)CN[C@@H](Cc1ccc(O)cc1)C(N)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)CN[C@@H](Cc1ccc(O)cc1)C(N)=O Show InChI InChI=1S/C108H172N34O22S2/c1-9-59(7)87(111)101(161)137-79(51-85(109)147)103(163)141-43-15-21-83(141)99(159)139-81(97(157)135-77(49-63-27-35-69(145)36-28-63)95(155)131-71(19-13-41-125-107(119)120)91(151)133-75(45-57(3)4)93(153)129-65(17-11-39-123-105(115)116)53-127-73(89(113)149)47-61-23-31-67(143)32-24-61)55-165-166-56-82(140-100(160)84-22-16-44-142(84)104(164)80(52-86(110)148)138-102(162)88(112)60(8)10-2)98(158)136-78(50-64-29-37-70(146)38-30-64)96(156)132-72(20-14-42-126-108(121)122)92(152)134-76(46-58(5)6)94(154)130-66(18-12-40-124-106(117)118)54-128-74(90(114)150)48-62-25-33-68(144)34-26-62/h23-38,57-60,65-66,71-84,87-88,127-128,143-146H,9-22,39-56,111-112H2,1-8H3,(H2,109,147)(H2,110,148)(H2,113,149)(H2,114,150)(H,129,153)(H,130,154)(H,131,155)(H,132,156)(H,133,151)(H,134,152)(H,135,157)(H,136,158)(H,137,161)(H,138,162)(H,139,159)(H,140,160)(H4,115,116,123)(H4,117,118,124)(H4,119,120,125)(H4,121,122,126)/t59-,60-,65-,66-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82+,83-,84-,87-,88-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| PubMed
| 2.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Cincinnati and VA Medical Centers
Curated by ChEMBL
| Assay Description
Affinity for cloned Y1 receptor using [125I]-PYY as radioligand |
J Med Chem 44: 1479-82 (2001)
BindingDB Entry DOI: 10.7270/Q2RJ4HRJ |
More data for this
Ligand-Target Pair | |
Neuropeptide Y receptor type 4
(Homo sapiens (Human)) | BDBM50185367
(CHEMBL413871 | H-[Trp-Arg-Nva-Arg-Tyr]3-NH2)Show SMILES CCC[C@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O |wU:154.161,136.143,125.132,88.92,99.103,81.85,56.58,70.74,33.34,3.3,18.18,7.14,wD:143.150,111.116,44.45,(19.56,-19.66,;18.24,-18.88,;16.9,-19.64,;15.57,-18.87,;15.58,-17.32,;14.25,-16.54,;12.91,-17.3,;14.26,-15.01,;15.6,-14.25,;15.61,-12.71,;16.95,-11.95,;16.96,-10.41,;18.3,-9.65,;19.63,-10.43,;18.31,-8.11,;12.93,-14.23,;11.59,-14.99,;11.58,-16.53,;10.27,-14.2,;8.93,-14.96,;10.28,-12.67,;11.62,-11.91,;13.02,-12.54,;14.06,-11.39,;13.29,-10.05,;13.78,-8.59,;12.76,-7.43,;11.24,-7.73,;10.76,-9.2,;11.79,-10.37,;14.23,-19.63,;12.9,-18.84,;14.22,-21.16,;15.55,-21.94,;16.88,-21.18,;18.21,-21.96,;19.55,-21.2,;20.88,-21.98,;22.21,-21.22,;22.23,-19.69,;23.54,-22,;15.53,-23.48,;14.19,-24.24,;16.86,-24.26,;16.85,-25.8,;15.51,-26.56,;15.5,-28.1,;16.71,-28.8,;16.7,-30.21,;15.49,-30.9,;15.47,-32.44,;14.26,-30.19,;14.27,-28.79,;18.17,-26.58,;19.51,-25.82,;18.16,-28.11,;19.49,-28.9,;20.83,-28.14,;22.15,-28.92,;22.3,-30.46,;23.82,-30.79,;24.6,-29.45,;26.12,-29.14,;26.6,-27.67,;25.58,-26.51,;24.06,-26.82,;23.57,-28.29,;19.47,-30.44,;18.14,-31.2,;20.8,-31.21,;20.79,-32.75,;22.12,-33.54,;23.45,-32.78,;24.78,-33.55,;26.12,-32.79,;27.45,-33.57,;27.44,-35.11,;28.79,-32.81,;19.45,-33.51,;18.12,-32.73,;19.44,-35.06,;18.1,-35.81,;18.09,-37.35,;19.42,-38.13,;19.41,-39.67,;16.77,-35.03,;16.78,-33.49,;15.43,-35.79,;15.42,-37.33,;16.75,-38.11,;16.74,-39.65,;18.07,-40.43,;18.06,-41.97,;19.39,-42.75,;20.72,-41.99,;19.37,-44.29,;14.08,-38.09,;12.76,-37.31,;14.08,-39.63,;12.74,-40.39,;12.73,-41.93,;14.05,-42.71,;15.39,-41.95,;16.72,-42.73,;16.71,-44.26,;18.04,-45.04,;15.37,-45.02,;14.05,-44.24,;11.41,-39.61,;11.42,-38.07,;10.07,-40.37,;8.74,-39.59,;8.84,-38.05,;7.56,-37.19,;6.12,-37.73,;5.16,-36.53,;6.01,-35.24,;5.61,-33.74,;6.71,-32.66,;8.21,-33.06,;8.6,-34.57,;7.5,-35.65,;7.4,-40.35,;7.39,-41.89,;6.08,-39.57,;4.74,-40.33,;4.73,-41.87,;6.05,-42.65,;6.04,-44.18,;7.37,-44.97,;8.71,-44.21,;8.72,-42.66,;10.04,-44.99,;3.41,-39.55,;3.42,-38.01,;2.07,-40.31,;.75,-39.53,;-.59,-40.29,;-1.92,-39.51,;-3.26,-40.27,;.76,-37.99,;-.57,-37.21,;2.1,-37.23,;2.11,-35.69,;3.45,-34.93,;3.46,-33.39,;4.8,-32.63,;4.81,-31.09,;6.15,-30.33,;7.48,-31.11,;6.16,-28.8,;.78,-34.91,;-.55,-35.67,;.8,-33.37,;-.53,-32.59,;-1.87,-33.35,;-3.2,-32.58,;-3.18,-31.03,;-4.52,-30.26,;-5.85,-31.02,;-7.17,-30.24,;-5.86,-32.56,;-4.53,-33.33,;-.52,-31.05,;-1.85,-30.27,;.82,-30.3,)| Show InChI InChI=1S/C111H159N37O18/c1-4-19-77(136-96(157)80(28-13-46-126-106(114)115)135-92(153)73(112)55-64-58-132-74-25-10-7-22-70(64)74)94(155)140-84(32-17-50-130-110(122)123)100(161)145-87(53-62-36-42-68(150)43-37-62)102(163)148-90(57-66-60-134-76-27-12-9-24-72(66)76)105(166)143-82(30-15-48-128-108(118)119)98(159)138-79(21-6-3)95(156)141-85(33-18-51-131-111(124)125)101(162)146-88(54-63-38-44-69(151)45-39-63)103(164)147-89(56-65-59-133-75-26-11-8-23-71(65)75)104(165)142-81(29-14-47-127-107(116)117)97(158)137-78(20-5-2)93(154)139-83(31-16-49-129-109(120)121)99(160)144-86(91(113)152)52-61-34-40-67(149)41-35-61/h7-12,22-27,34-45,58-60,73,77-90,132-134,149-151H,4-6,13-21,28-33,46-57,112H2,1-3H3,(H2,113,152)(H,135,153)(H,136,157)(H,137,158)(H,138,159)(H,139,154)(H,140,155)(H,141,156)(H,142,165)(H,143,166)(H,144,160)(H,145,161)(H,146,162)(H,147,164)(H,148,163)(H4,114,115,126)(H4,116,117,127)(H4,118,119,128)(H4,120,121,129)(H4,122,123,130)(H4,124,125,131)/t73-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 3.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Cincinnati
Curated by ChEMBL
| Assay Description
Displacement of [125I]hPP from human NPY4 receptor expressed in CHO cells |
J Med Chem 49: 2661-5 (2006)
Article DOI: 10.1021/jm050907d
BindingDB Entry DOI: 10.7270/Q2XS5TZ9 |
More data for this
Ligand-Target Pair | |
Neuropeptide Y receptor type 4
(Homo sapiens (Human)) | BDBM50185368
(CHEMBL2371910 | CHEMBL439884 | Pim[-Trp-Arg-Nva-Ar...)Show SMILES CCC[C@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)CCC[C@H](N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O |wU:111.116,18.18,85.89,42.44,32.35,wD:3.2,74.77,67.71,56.60,7.7,37.38,100.104,(-6.32,-13.79,;-5,-13.01,;-3.66,-13.78,;-2.33,-13,;-2.33,-11.46,;-1,-10.69,;.33,-11.45,;-1,-9.14,;-2.34,-8.38,;-2.35,-6.84,;-3.69,-6.08,;-3.69,-4.53,;-2.36,-3.76,;-2.37,-2.22,;-1.02,-4.52,;.32,-8.36,;.31,-6.82,;-1.03,-6.06,;1.65,-6.05,;2.98,-6.81,;2.98,-8.36,;1.74,-9.26,;2.23,-10.72,;3.77,-10.72,;4.8,-11.86,;6.3,-11.54,;6.78,-10.07,;5.74,-8.93,;4.24,-9.25,;1.64,-4.51,;2.97,-3.73,;4.31,-4.48,;2.96,-2.18,;1.61,-1.43,;4.28,-1.41,;4.27,.14,;5.59,.92,;5.58,2.46,;4.24,3.21,;6.91,3.24,;6.89,4.78,;8.25,2.49,;9.59,3.25,;9.59,4.79,;10.94,5.55,;12.34,4.91,;13.37,6.05,;12.61,7.39,;13.1,8.86,;12.08,10,;10.57,9.7,;10.09,8.23,;11.11,7.08,;10.91,2.47,;10.9,.93,;12.25,3.23,;13.58,2.45,;13.57,.91,;12.23,.15,;12.22,-1.39,;10.88,-2.15,;9.55,-1.37,;8.22,-2.13,;9.56,.17,;14.92,3.21,;14.93,4.75,;16.25,2.43,;17.59,3.19,;18.92,2.41,;18.91,.87,;20.24,.09,;17.6,4.73,;16.27,5.51,;18.94,5.49,;20.26,4.71,;20.25,3.17,;21.58,2.39,;21.57,.85,;22.9,.07,;22.89,-1.47,;21.55,-2.23,;24.22,-2.25,;21.61,5.47,;21.62,7.01,;22.94,4.69,;24.27,5.45,;24.29,6.99,;25.63,7.75,;25.63,9.29,;26.97,10.05,;28.3,9.28,;29.64,10.04,;28.29,7.74,;26.95,6.97,;25.6,4.67,;26.94,5.43,;25.59,3.13,;-.99,-13.76,;.34,-12.99,;-.99,-15.31,;-2.31,-16.08,;-3.65,-15.31,;-4.98,-16.09,;-6.32,-15.32,;-7.65,-16.1,;-8.99,-15.34,;-8.99,-13.79,;-10.31,-16.11,;-2.31,-17.62,;-.97,-18.38,;-3.64,-18.4,;-3.63,-19.94,;-2.3,-20.71,;-2.29,-22.24,;-.95,-23,;-.95,-24.54,;-2.28,-25.32,;-2.27,-26.86,;-3.62,-24.55,;-3.62,-23.02,;-4.96,-20.71,;-4.95,-22.25,;-6.3,-19.95,)| Show InChI InChI=1S/C81H120N28O14/c1-3-14-56(70(116)102-60(24-12-36-96-80(90)91)74(120)106-62(66(84)112)38-44-26-30-48(110)31-27-44)100-72(118)58(22-10-34-94-78(86)87)104-76(122)64(40-46-42-98-54-20-7-5-16-50(46)54)108-68(114)52(82)18-9-19-53(83)69(115)109-65(41-47-43-99-55-21-8-6-17-51(47)55)77(123)105-59(23-11-35-95-79(88)89)73(119)101-57(15-4-2)71(117)103-61(25-13-37-97-81(92)93)75(121)107-63(67(85)113)39-45-28-32-49(111)33-29-45/h5-8,16-17,20-21,26-33,42-43,52-53,56-65,98-99,110-111H,3-4,9-15,18-19,22-25,34-41,82-83H2,1-2H3,(H2,84,112)(H2,85,113)(H,100,118)(H,101,119)(H,102,116)(H,103,117)(H,104,122)(H,105,123)(H,106,120)(H,107,121)(H,108,114)(H,109,115)(H4,86,87,94)(H4,88,89,95)(H4,90,91,96)(H4,92,93,97)/t52?,53?,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 4.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Cincinnati
Curated by ChEMBL
| Assay Description
Displacement of [125I]hPP from human NPY4 receptor expressed in CHO cells |
J Med Chem 49: 2661-5 (2006)
Article DOI: 10.1021/jm050907d
BindingDB Entry DOI: 10.7270/Q2XS5TZ9 |
More data for this
Ligand-Target Pair | |
Neuropeptide Y receptor type 4
(Homo sapiens (Human)) | BDBM50185365
(Adp[-Trp-Arg-Nva-Arg-Tyr-NH2]2 | CHEMBL2371909 | C...)Show SMILES CCC[C@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)CC[C@H](N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O |wU:99.104,3.3,18.18,73.77,66.69,41.43,wD:110.115,7.7,84.88,55.59,32.35,36.39,(.45,-20.37,;.5,-18.83,;-.81,-18.01,;-.76,-16.47,;.6,-15.75,;1.91,-16.56,;1.86,-18.1,;3.26,-15.83,;3.31,-14.29,;2.01,-13.48,;2.06,-11.94,;.74,-11.13,;.79,-9.59,;2.16,-8.86,;-.51,-8.78,;4.57,-16.65,;5.93,-15.92,;5.98,-14.38,;7.24,-16.73,;7.19,-18.27,;5.83,-19,;4.44,-18.35,;3.38,-19.47,;4.11,-20.83,;3.6,-22.29,;4.61,-23.46,;6.13,-23.19,;6.64,-21.73,;5.64,-20.55,;8.6,-16,;8.56,-14.47,;7.22,-13.75,;9.86,-13.67,;11.2,-14.39,;9.82,-12.14,;11.11,-11.35,;11.07,-9.82,;9.73,-9.1,;12.37,-9.03,;12.33,-7.5,;13.71,-9.75,;15.05,-8.98,;15.05,-7.44,;16.38,-6.67,;17.79,-7.28,;18.82,-6.12,;18.04,-4.78,;18.5,-3.31,;17.46,-2.17,;15.95,-2.49,;15.48,-3.97,;16.52,-5.12,;16.38,-9.75,;16.38,-11.29,;17.72,-8.98,;19.05,-9.75,;19.05,-11.29,;20.38,-12.06,;20.38,-13.6,;21.72,-14.37,;21.72,-15.91,;20.38,-16.68,;23.05,-16.68,;20.38,-8.98,;20.38,-7.44,;21.72,-9.75,;23.05,-8.98,;23.05,-7.44,;21.72,-6.67,;21.72,-5.13,;24.39,-9.75,;24.39,-11.29,;25.72,-8.98,;25.72,-7.44,;24.39,-6.67,;24.39,-5.13,;23.05,-4.36,;23.05,-2.82,;21.72,-2.05,;20.38,-2.82,;21.72,-.51,;27.05,-6.67,;28.39,-7.44,;27.05,-5.13,;28.39,-4.36,;29.72,-5.13,;31.05,-4.36,;31.05,-2.96,;32.27,-2.26,;33.47,-2.96,;34.81,-2.19,;33.47,-4.36,;32.26,-5.06,;28.39,-2.82,;29.72,-2.05,;27.05,-2.05,;-2.07,-15.66,;-2.02,-14.12,;-3.43,-16.39,;-3.48,-17.93,;-2.17,-18.74,;-2.22,-20.28,;-.91,-21.09,;-.96,-22.63,;.35,-23.44,;1.71,-22.72,;.3,-24.98,;-4.83,-18.66,;-6.14,-17.84,;-4.88,-20.19,;-6.24,-20.92,;-7.55,-20.11,;-8.91,-20.84,;-8.95,-22.24,;-10.19,-22.9,;-11.37,-22.16,;-12.74,-22.89,;-11.34,-20.76,;-10.1,-20.1,;-6.29,-22.46,;-7.65,-23.19,;-4.98,-23.27,)| Show InChI InChI=1S/C80H118N28O14/c1-3-13-55(69(115)101-59(21-11-35-95-79(89)90)73(119)105-61(65(83)111)37-43-23-27-47(109)28-24-43)99-71(117)57(19-9-33-93-77(85)86)103-75(121)63(39-45-41-97-53-17-7-5-15-49(45)53)107-67(113)51(81)31-32-52(82)68(114)108-64(40-46-42-98-54-18-8-6-16-50(46)54)76(122)104-58(20-10-34-94-78(87)88)72(118)100-56(14-4-2)70(116)102-60(22-12-36-96-80(91)92)74(120)106-62(66(84)112)38-44-25-29-48(110)30-26-44/h5-8,15-18,23-30,41-42,51-52,55-64,97-98,109-110H,3-4,9-14,19-22,31-40,81-82H2,1-2H3,(H2,83,111)(H2,84,112)(H,99,117)(H,100,118)(H,101,115)(H,102,116)(H,103,121)(H,104,122)(H,105,119)(H,106,120)(H,107,113)(H,108,114)(H4,85,86,93)(H4,87,88,94)(H4,89,90,95)(H4,91,92,96)/t51?,52?,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 4.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Cincinnati
Curated by ChEMBL
| Assay Description
Inhibition of [3H]-FPP incorporation into biotin-linked K-ras decapeptide (CVIM) by bovine farnesyltransferase |
J Med Chem 49: 2661-5 (2006)
Article DOI: 10.1021/jm050907d
BindingDB Entry DOI: 10.7270/Q2XS5TZ9 |
More data for this
Ligand-Target Pair | |
Neuropeptide Y receptor type 4
(Homo sapiens (Human)) | BDBM50185368
(CHEMBL2371910 | CHEMBL439884 | Pim[-Trp-Arg-Nva-Ar...)Show SMILES CCC[C@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)CCC[C@H](N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O |wU:111.116,18.18,85.89,42.44,32.35,wD:3.2,74.77,67.71,56.60,7.7,37.38,100.104,(-6.32,-13.79,;-5,-13.01,;-3.66,-13.78,;-2.33,-13,;-2.33,-11.46,;-1,-10.69,;.33,-11.45,;-1,-9.14,;-2.34,-8.38,;-2.35,-6.84,;-3.69,-6.08,;-3.69,-4.53,;-2.36,-3.76,;-2.37,-2.22,;-1.02,-4.52,;.32,-8.36,;.31,-6.82,;-1.03,-6.06,;1.65,-6.05,;2.98,-6.81,;2.98,-8.36,;1.74,-9.26,;2.23,-10.72,;3.77,-10.72,;4.8,-11.86,;6.3,-11.54,;6.78,-10.07,;5.74,-8.93,;4.24,-9.25,;1.64,-4.51,;2.97,-3.73,;4.31,-4.48,;2.96,-2.18,;1.61,-1.43,;4.28,-1.41,;4.27,.14,;5.59,.92,;5.58,2.46,;4.24,3.21,;6.91,3.24,;6.89,4.78,;8.25,2.49,;9.59,3.25,;9.59,4.79,;10.94,5.55,;12.34,4.91,;13.37,6.05,;12.61,7.39,;13.1,8.86,;12.08,10,;10.57,9.7,;10.09,8.23,;11.11,7.08,;10.91,2.47,;10.9,.93,;12.25,3.23,;13.58,2.45,;13.57,.91,;12.23,.15,;12.22,-1.39,;10.88,-2.15,;9.55,-1.37,;8.22,-2.13,;9.56,.17,;14.92,3.21,;14.93,4.75,;16.25,2.43,;17.59,3.19,;18.92,2.41,;18.91,.87,;20.24,.09,;17.6,4.73,;16.27,5.51,;18.94,5.49,;20.26,4.71,;20.25,3.17,;21.58,2.39,;21.57,.85,;22.9,.07,;22.89,-1.47,;21.55,-2.23,;24.22,-2.25,;21.61,5.47,;21.62,7.01,;22.94,4.69,;24.27,5.45,;24.29,6.99,;25.63,7.75,;25.63,9.29,;26.97,10.05,;28.3,9.28,;29.64,10.04,;28.29,7.74,;26.95,6.97,;25.6,4.67,;26.94,5.43,;25.59,3.13,;-.99,-13.76,;.34,-12.99,;-.99,-15.31,;-2.31,-16.08,;-3.65,-15.31,;-4.98,-16.09,;-6.32,-15.32,;-7.65,-16.1,;-8.99,-15.34,;-8.99,-13.79,;-10.31,-16.11,;-2.31,-17.62,;-.97,-18.38,;-3.64,-18.4,;-3.63,-19.94,;-2.3,-20.71,;-2.29,-22.24,;-.95,-23,;-.95,-24.54,;-2.28,-25.32,;-2.27,-26.86,;-3.62,-24.55,;-3.62,-23.02,;-4.96,-20.71,;-4.95,-22.25,;-6.3,-19.95,)| Show InChI InChI=1S/C81H120N28O14/c1-3-14-56(70(116)102-60(24-12-36-96-80(90)91)74(120)106-62(66(84)112)38-44-26-30-48(110)31-27-44)100-72(118)58(22-10-34-94-78(86)87)104-76(122)64(40-46-42-98-54-20-7-5-16-50(46)54)108-68(114)52(82)18-9-19-53(83)69(115)109-65(41-47-43-99-55-21-8-6-17-51(47)55)77(123)105-59(23-11-35-95-79(88)89)73(119)101-57(15-4-2)71(117)103-61(25-13-37-97-81(92)93)75(121)107-63(67(85)113)39-45-28-32-49(111)33-29-45/h5-8,16-17,20-21,26-33,42-43,52-53,56-65,98-99,110-111H,3-4,9-15,18-19,22-25,34-41,82-83H2,1-2H3,(H2,84,112)(H2,85,113)(H,100,118)(H,101,119)(H,102,116)(H,103,117)(H,104,122)(H,105,123)(H,106,120)(H,107,121)(H,108,114)(H,109,115)(H4,86,87,94)(H4,88,89,95)(H4,90,91,96)(H4,92,93,97)/t52?,53?,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 4.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Cincinnati
Curated by ChEMBL
| Assay Description
Reduced farnesylation of H-ras transformed NIH3T3 cells |
J Med Chem 49: 2661-5 (2006)
Article DOI: 10.1021/jm050907d
BindingDB Entry DOI: 10.7270/Q2XS5TZ9 |
More data for this
Ligand-Target Pair | |
Neuropeptide Y receptor type 1
(Homo sapiens (Human)) | BDBM50099199
(CHEMBL413426 | Ile-Asn-Pro-Cys-Tyr-Arg-Leu-Arg-Tyr...)Show SMILES CC[C@H](C)[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@H](CSSC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@@H](N)[C@@H](C)CC)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)OC)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)OC Show InChI InChI=1S/C110H170N32O26S2/c1-11-59(7)87(113)101(161)135-77(53-85(111)147)103(163)141-45-17-23-83(141)99(159)139-81(97(157)133-75(49-61-25-33-65(143)34-26-61)95(155)129-69(19-13-41-123-107(115)116)89(149)131-73(47-57(3)4)93(153)127-71(21-15-43-125-109(119)120)91(151)137-79(105(165)167-9)51-63-29-37-67(145)38-30-63)55-169-170-56-82(140-100(160)84-24-18-46-142(84)104(164)78(54-86(112)148)136-102(162)88(114)60(8)12-2)98(158)134-76(50-62-27-35-66(144)36-28-62)96(156)130-70(20-14-42-124-108(117)118)90(150)132-74(48-58(5)6)94(154)128-72(22-16-44-126-110(121)122)92(152)138-80(106(166)168-10)52-64-31-39-68(146)40-32-64/h25-40,57-60,69-84,87-88,143-146H,11-24,41-56,113-114H2,1-10H3,(H2,111,147)(H2,112,148)(H,127,153)(H,128,154)(H,129,155)(H,130,156)(H,131,149)(H,132,150)(H,133,157)(H,134,158)(H,135,161)(H,136,162)(H,137,151)(H,138,152)(H,139,159)(H,140,160)(H4,115,116,123)(H4,117,118,124)(H4,119,120,125)(H4,121,122,126)/t59-,60-,69-,70-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82+,83-,84-,87-,88-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| PubMed
| 4.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Cincinnati and VA Medical Centers
Curated by ChEMBL
| Assay Description
Affinity for cloned Y1 receptor using [125I]-PYY as radioligand |
J Med Chem 44: 1479-82 (2001)
BindingDB Entry DOI: 10.7270/Q2RJ4HRJ |
More data for this
Ligand-Target Pair | |
Neuropeptide Y receptor type 1
(Homo sapiens (Human)) | BDBM50034121
(CHEMBL386823 | Ile-Asn-Pro-Ile-Tyr-Arg-Leu-Arg-Tyr...)Show SMILES CC[C@H](C)[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O Show InChI InChI=1S/C57H91N17O12/c1-7-31(5)45(59)53(84)72-42(29-44(58)77)55(86)74-25-11-14-43(74)52(83)73-46(32(6)8-2)54(85)71-41(28-34-17-21-36(76)22-18-34)51(82)68-38(13-10-24-66-57(63)64)49(80)70-40(26-30(3)4)50(81)67-37(12-9-23-65-56(61)62)48(79)69-39(47(60)78)27-33-15-19-35(75)20-16-33/h15-22,30-32,37-43,45-46,75-76H,7-14,23-29,59H2,1-6H3,(H2,58,77)(H2,60,78)(H,67,81)(H,68,82)(H,69,79)(H,70,80)(H,71,85)(H,72,84)(H,73,83)(H4,61,62,65)(H4,63,64,66)/t31-,32-,37-,38-,39-,40-,41-,42-,43-,45-,46-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Cincinnati and VA Medical Centers
Curated by ChEMBL
| Assay Description
Affinity for cloned Y1 receptor using [125I]-PYY as radioligand |
J Med Chem 44: 1479-82 (2001)
BindingDB Entry DOI: 10.7270/Q2RJ4HRJ |
More data for this
Ligand-Target Pair | |
Neuropeptide Y receptor type 4
(Homo sapiens (Human)) | BDBM50185369
(CHEMBL408891 | H-[Trp-Arg-Nva-Arg-Tyr]2-NH2)Show SMILES CCC[C@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O |wU:88.92,56.58,wD:99.103,81.85,70.74,33.34,44.45,3.3,18.18,7.14,(1.08,-23.2,;1.08,-21.66,;2.42,-20.89,;2.42,-19.35,;1.08,-18.58,;1.08,-17.04,;2.42,-16.27,;-.25,-16.27,;-1.58,-17.04,;-2.92,-16.27,;-4.25,-17.04,;-5.59,-16.27,;-6.92,-17.04,;-6.92,-18.58,;-8.25,-16.27,;-.25,-14.73,;1.08,-13.96,;2.42,-14.73,;1.08,-12.42,;2.42,-11.65,;-.25,-11.65,;-1.58,-12.42,;-1.74,-13.96,;-3.25,-14.29,;-4.03,-12.96,;-5.54,-12.63,;-6.02,-11.17,;-4.99,-10.02,;-3.48,-10.33,;-2.99,-11.79,;3.75,-18.58,;3.75,-17.04,;5.08,-19.35,;5.08,-20.89,;3.75,-21.66,;3.75,-23.2,;2.42,-23.97,;2.42,-25.51,;1.08,-26.28,;-.25,-25.51,;1.08,-27.82,;6.42,-21.66,;7.75,-20.89,;6.42,-23.2,;7.75,-23.97,;7.75,-25.51,;6.42,-26.28,;5.21,-25.59,;4,-26.3,;4.01,-27.69,;2.67,-28.46,;5.22,-28.39,;6.42,-27.68,;9.09,-23.2,;9.09,-21.66,;10.42,-23.97,;11.75,-23.2,;11.75,-21.66,;13.09,-20.89,;14.49,-21.5,;15.53,-20.35,;14.76,-19.01,;15.23,-17.54,;14.19,-16.39,;12.67,-16.71,;12.2,-18.19,;13.24,-19.34,;13.09,-23.97,;13.09,-25.51,;14.42,-23.2,;15.76,-23.97,;15.76,-25.51,;14.42,-26.28,;14.42,-27.82,;13.09,-28.59,;11.75,-27.82,;11.75,-26.28,;10.42,-28.59,;17.09,-23.2,;17.09,-21.66,;18.42,-23.97,;19.76,-23.2,;21.09,-23.97,;22.43,-23.2,;23.76,-23.97,;19.76,-21.66,;21.09,-20.89,;18.42,-20.89,;18.42,-19.35,;17.09,-18.58,;17.09,-17.04,;15.76,-16.27,;15.76,-14.73,;14.42,-13.96,;13.09,-14.73,;14.42,-12.42,;19.76,-18.58,;21.09,-19.35,;19.76,-17.04,;21.09,-16.27,;22.43,-17.04,;23.76,-16.27,;23.75,-14.86,;24.96,-14.16,;26.17,-14.86,;27.51,-14.09,;26.18,-16.26,;24.97,-16.96,;21.09,-14.73,;22.43,-13.96,;19.76,-13.96,)| Show InChI InChI=1S/C74H107N25O12/c1-3-13-52(92-65(106)54(19-9-31-85-71(77)78)91-62(103)49(75)37-43-39-89-50-17-7-5-15-47(43)50)64(105)95-57(22-12-34-88-74(83)84)68(109)98-59(36-42-25-29-46(101)30-26-42)69(110)99-60(38-44-40-90-51-18-8-6-16-48(44)51)70(111)96-55(20-10-32-86-72(79)80)66(107)93-53(14-4-2)63(104)94-56(21-11-33-87-73(81)82)67(108)97-58(61(76)102)35-41-23-27-45(100)28-24-41/h5-8,15-18,23-30,39-40,49,52-60,89-90,100-101H,3-4,9-14,19-22,31-38,75H2,1-2H3,(H2,76,102)(H,91,103)(H,92,106)(H,93,107)(H,94,104)(H,95,105)(H,96,111)(H,97,108)(H,98,109)(H,99,110)(H4,77,78,85)(H4,79,80,86)(H4,81,82,87)(H4,83,84,88)/t49-,52-,53-,54-,55-,56-,57-,58-,59-,60-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 5.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Cincinnati
Curated by ChEMBL
| Assay Description
Displacement of [125I]hPP from human NPY4 receptor expressed in CHO cells |
J Med Chem 49: 2661-5 (2006)
Article DOI: 10.1021/jm050907d
BindingDB Entry DOI: 10.7270/Q2XS5TZ9 |
More data for this
Ligand-Target Pair | |
Neuropeptide Y receptor type 4
(Homo sapiens (Human)) | BDBM50034121
(CHEMBL386823 | Ile-Asn-Pro-Ile-Tyr-Arg-Leu-Arg-Tyr...)Show SMILES CC[C@H](C)[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O Show InChI InChI=1S/C57H91N17O12/c1-7-31(5)45(59)53(84)72-42(29-44(58)77)55(86)74-25-11-14-43(74)52(83)73-46(32(6)8-2)54(85)71-41(28-34-17-21-36(76)22-18-34)51(82)68-38(13-10-24-66-57(63)64)49(80)70-40(26-30(3)4)50(81)67-37(12-9-23-65-56(61)62)48(79)69-39(47(60)78)27-33-15-19-35(75)20-16-33/h15-22,30-32,37-43,45-46,75-76H,7-14,23-29,59H2,1-6H3,(H2,58,77)(H2,60,78)(H,67,81)(H,68,82)(H,69,79)(H,70,80)(H,71,85)(H,72,84)(H,73,83)(H4,61,62,65)(H4,63,64,66)/t31-,32-,37-,38-,39-,40-,41-,42-,43-,45-,46-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 5.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Cincinnati and VA Medical Centers
Curated by ChEMBL
| Assay Description
Affinity for cloned Y4 receptor using [125I]-PP as radioligand |
J Med Chem 44: 1479-82 (2001)
BindingDB Entry DOI: 10.7270/Q2RJ4HRJ |
More data for this
Ligand-Target Pair | |
Neuropeptide Y receptor type 1
(Homo sapiens (Human)) | BDBM50185364
(CHEMBL2371908 | CHEMBL415187 | Sub[-Tyr-Arg-Leu-Ar...)Show SMILES [#6]-[#6](-[#6])-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-[#6]-[#6]-[#6]-[#6@H](-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccc(-[#8])cc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccc(-[#8])cc1)-[#6](-[#8])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccc(-[#8])cc1)-[#6](-[#8])=O Show InChI InChI=1S/C80H122N24O18/c1-43(2)37-59(71(115)95-57(15-9-35-93-79(87)88)69(113)103-63(75(119)120)41-47-21-29-51(107)30-22-47)101-67(111)55(13-7-33-91-77(83)84)97-73(117)61(39-45-17-25-49(105)26-18-45)99-65(109)53(81)11-5-6-12-54(82)66(110)100-62(40-46-19-27-50(106)28-20-46)74(118)98-56(14-8-34-92-78(85)86)68(112)102-60(38-44(3)4)72(116)96-58(16-10-36-94-80(89)90)70(114)104-64(76(121)122)42-48-23-31-52(108)32-24-48/h17-32,43-44,53-64,105-108H,5-16,33-42,81-82H2,1-4H3,(H,95,115)(H,96,116)(H,97,117)(H,98,118)(H,99,109)(H,100,110)(H,101,111)(H,102,112)(H,103,113)(H,104,114)(H,119,120)(H,121,122)(H4,83,84,91)(H4,85,86,92)(H4,87,88,93)(H4,89,90,94)/t53?,54?,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 7.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Cincinnati
Curated by ChEMBL
| Assay Description
Displacement of [125I]NPY from human NPY1 receptor expressed in CHO cells |
J Med Chem 49: 2661-5 (2006)
Article DOI: 10.1021/jm050907d
BindingDB Entry DOI: 10.7270/Q2XS5TZ9 |
More data for this
Ligand-Target Pair | |
Neuropeptide Y receptor type 2
(Homo sapiens (Human)) | BDBM50034121
(CHEMBL386823 | Ile-Asn-Pro-Ile-Tyr-Arg-Leu-Arg-Tyr...)Show SMILES CC[C@H](C)[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O Show InChI InChI=1S/C57H91N17O12/c1-7-31(5)45(59)53(84)72-42(29-44(58)77)55(86)74-25-11-14-43(74)52(83)73-46(32(6)8-2)54(85)71-41(28-34-17-21-36(76)22-18-34)51(82)68-38(13-10-24-66-57(63)64)49(80)70-40(26-30(3)4)50(81)67-37(12-9-23-65-56(61)62)48(79)69-39(47(60)78)27-33-15-19-35(75)20-16-33/h15-22,30-32,37-43,45-46,75-76H,7-14,23-29,59H2,1-6H3,(H2,58,77)(H2,60,78)(H,67,81)(H,68,82)(H,69,79)(H,70,80)(H,71,85)(H,72,84)(H,73,83)(H4,61,62,65)(H4,63,64,66)/t31-,32-,37-,38-,39-,40-,41-,42-,43-,45-,46-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 11.3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Cincinnati and VA Medical Centers
Curated by ChEMBL
| Assay Description
Affinity for cloned Y2 receptor using [125I]-PYY as radioligand |
J Med Chem 44: 1479-82 (2001)
BindingDB Entry DOI: 10.7270/Q2RJ4HRJ |
More data for this
Ligand-Target Pair | |
Neuropeptide Y receptor type 1
(Homo sapiens (Human)) | BDBM50099203
(CHEMBL438914 | Ile-Asn-Pro-Ile-Tyr-Arg-Leu-Arg-Tyr...)Show SMILES CC[C@H](C)[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)OC Show InChI InChI=1S/C58H92N16O13/c1-8-32(5)46(60)53(83)71-42(30-45(59)77)55(85)74-26-12-15-44(74)52(82)73-47(33(6)9-2)54(84)70-41(28-34-16-20-36(75)21-17-34)51(81)68-38(13-10-24-65-57(61)62)48(78)69-40(27-31(3)4)50(80)67-39(14-11-25-66-58(63)64)49(79)72-43(56(86)87-7)29-35-18-22-37(76)23-19-35/h16-23,31-33,38-44,46-47,75-76H,8-15,24-30,60H2,1-7H3,(H2,59,77)(H,67,80)(H,68,81)(H,69,78)(H,70,84)(H,71,83)(H,72,79)(H,73,82)(H4,61,62,65)(H4,63,64,66)/t32-,33-,38-,39-,40-,41-,42-,43-,44-,46-,47-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 25.7 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Cincinnati and VA Medical Centers
Curated by ChEMBL
| Assay Description
Affinity for cloned Y1 receptor using [125I]-PYY as radioligand |
J Med Chem 44: 1479-82 (2001)
BindingDB Entry DOI: 10.7270/Q2RJ4HRJ |
More data for this
Ligand-Target Pair | |
Neuropeptide Y receptor type 4
(Homo sapiens (Human)) | BDBM50049744
(CHEMBL438548 | NPY-analogs | [Cys-Trp-Arg-Nva-Arg-...)Show SMILES CCC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)CSSC[C@H](N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCC)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O Show InChI InChI=1S/C80H118N28O14S2/c1-3-13-55(69(115)101-59(21-11-33-95-79(89)90)73(119)105-61(65(83)111)35-43-23-27-47(109)28-24-43)99-71(117)57(19-9-31-93-77(85)86)103-75(121)63(37-45-39-97-53-17-7-5-15-49(45)53)107-67(113)51(81)41-123-124-42-52(82)68(114)108-64(38-46-40-98-54-18-8-6-16-50(46)54)76(122)104-58(20-10-32-94-78(87)88)72(118)100-56(14-4-2)70(116)102-60(22-12-34-96-80(91)92)74(120)106-62(66(84)112)36-44-25-29-48(110)30-26-44/h5-8,15-18,23-30,39-40,51-52,55-64,97-98,109-110H,3-4,9-14,19-22,31-38,41-42,81-82H2,1-2H3,(H2,83,111)(H2,84,112)(H,99,117)(H,100,118)(H,101,115)(H,102,116)(H,103,121)(H,104,122)(H,105,119)(H,106,120)(H,107,113)(H,108,114)(H4,85,86,93)(H4,87,88,94)(H4,89,90,95)(H4,91,92,96)/t51-,52-,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Cincinnati
Curated by ChEMBL
| Assay Description
Inhibition of [3H]-FPP incorporation into biotin-linked K-ras decapeptide (CVIM) by bovine farnesyltransferase |
J Med Chem 49: 2661-5 (2006)
Article DOI: 10.1021/jm050907d
BindingDB Entry DOI: 10.7270/Q2XS5TZ9 |
More data for this
Ligand-Target Pair | |
Neuropeptide Y receptor type 1
(Homo sapiens (Human)) | BDBM50185367
(CHEMBL413871 | H-[Trp-Arg-Nva-Arg-Tyr]3-NH2)Show SMILES CCC[C@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O |wU:154.161,136.143,125.132,88.92,99.103,81.85,56.58,70.74,33.34,3.3,18.18,7.14,wD:143.150,111.116,44.45,(19.56,-19.66,;18.24,-18.88,;16.9,-19.64,;15.57,-18.87,;15.58,-17.32,;14.25,-16.54,;12.91,-17.3,;14.26,-15.01,;15.6,-14.25,;15.61,-12.71,;16.95,-11.95,;16.96,-10.41,;18.3,-9.65,;19.63,-10.43,;18.31,-8.11,;12.93,-14.23,;11.59,-14.99,;11.58,-16.53,;10.27,-14.2,;8.93,-14.96,;10.28,-12.67,;11.62,-11.91,;13.02,-12.54,;14.06,-11.39,;13.29,-10.05,;13.78,-8.59,;12.76,-7.43,;11.24,-7.73,;10.76,-9.2,;11.79,-10.37,;14.23,-19.63,;12.9,-18.84,;14.22,-21.16,;15.55,-21.94,;16.88,-21.18,;18.21,-21.96,;19.55,-21.2,;20.88,-21.98,;22.21,-21.22,;22.23,-19.69,;23.54,-22,;15.53,-23.48,;14.19,-24.24,;16.86,-24.26,;16.85,-25.8,;15.51,-26.56,;15.5,-28.1,;16.71,-28.8,;16.7,-30.21,;15.49,-30.9,;15.47,-32.44,;14.26,-30.19,;14.27,-28.79,;18.17,-26.58,;19.51,-25.82,;18.16,-28.11,;19.49,-28.9,;20.83,-28.14,;22.15,-28.92,;22.3,-30.46,;23.82,-30.79,;24.6,-29.45,;26.12,-29.14,;26.6,-27.67,;25.58,-26.51,;24.06,-26.82,;23.57,-28.29,;19.47,-30.44,;18.14,-31.2,;20.8,-31.21,;20.79,-32.75,;22.12,-33.54,;23.45,-32.78,;24.78,-33.55,;26.12,-32.79,;27.45,-33.57,;27.44,-35.11,;28.79,-32.81,;19.45,-33.51,;18.12,-32.73,;19.44,-35.06,;18.1,-35.81,;18.09,-37.35,;19.42,-38.13,;19.41,-39.67,;16.77,-35.03,;16.78,-33.49,;15.43,-35.79,;15.42,-37.33,;16.75,-38.11,;16.74,-39.65,;18.07,-40.43,;18.06,-41.97,;19.39,-42.75,;20.72,-41.99,;19.37,-44.29,;14.08,-38.09,;12.76,-37.31,;14.08,-39.63,;12.74,-40.39,;12.73,-41.93,;14.05,-42.71,;15.39,-41.95,;16.72,-42.73,;16.71,-44.26,;18.04,-45.04,;15.37,-45.02,;14.05,-44.24,;11.41,-39.61,;11.42,-38.07,;10.07,-40.37,;8.74,-39.59,;8.84,-38.05,;7.56,-37.19,;6.12,-37.73,;5.16,-36.53,;6.01,-35.24,;5.61,-33.74,;6.71,-32.66,;8.21,-33.06,;8.6,-34.57,;7.5,-35.65,;7.4,-40.35,;7.39,-41.89,;6.08,-39.57,;4.74,-40.33,;4.73,-41.87,;6.05,-42.65,;6.04,-44.18,;7.37,-44.97,;8.71,-44.21,;8.72,-42.66,;10.04,-44.99,;3.41,-39.55,;3.42,-38.01,;2.07,-40.31,;.75,-39.53,;-.59,-40.29,;-1.92,-39.51,;-3.26,-40.27,;.76,-37.99,;-.57,-37.21,;2.1,-37.23,;2.11,-35.69,;3.45,-34.93,;3.46,-33.39,;4.8,-32.63,;4.81,-31.09,;6.15,-30.33,;7.48,-31.11,;6.16,-28.8,;.78,-34.91,;-.55,-35.67,;.8,-33.37,;-.53,-32.59,;-1.87,-33.35,;-3.2,-32.58,;-3.18,-31.03,;-4.52,-30.26,;-5.85,-31.02,;-7.17,-30.24,;-5.86,-32.56,;-4.53,-33.33,;-.52,-31.05,;-1.85,-30.27,;.82,-30.3,)| Show InChI InChI=1S/C111H159N37O18/c1-4-19-77(136-96(157)80(28-13-46-126-106(114)115)135-92(153)73(112)55-64-58-132-74-25-10-7-22-70(64)74)94(155)140-84(32-17-50-130-110(122)123)100(161)145-87(53-62-36-42-68(150)43-37-62)102(163)148-90(57-66-60-134-76-27-12-9-24-72(66)76)105(166)143-82(30-15-48-128-108(118)119)98(159)138-79(21-6-3)95(156)141-85(33-18-51-131-111(124)125)101(162)146-88(54-63-38-44-69(151)45-39-63)103(164)147-89(56-65-59-133-75-26-11-8-23-71(65)75)104(165)142-81(29-14-47-127-107(116)117)97(158)137-78(20-5-2)93(154)139-83(31-16-49-129-109(120)121)99(160)144-86(91(113)152)52-61-34-40-67(149)41-35-61/h7-12,22-27,34-45,58-60,73,77-90,132-134,149-151H,4-6,13-21,28-33,46-57,112H2,1-3H3,(H2,113,152)(H,135,153)(H,136,157)(H,137,158)(H,138,159)(H,139,154)(H,140,155)(H,141,156)(H,142,165)(H,143,166)(H,144,160)(H,145,161)(H,146,162)(H,147,164)(H,148,163)(H4,114,115,126)(H4,116,117,127)(H4,118,119,128)(H4,120,121,129)(H4,122,123,130)(H4,124,125,131)/t73-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Cincinnati
Curated by ChEMBL
| Assay Description
Displacement of [125I]NPY from human NPY1 receptor expressed in CHO cells |
J Med Chem 49: 2661-5 (2006)
Article DOI: 10.1021/jm050907d
BindingDB Entry DOI: 10.7270/Q2XS5TZ9 |
More data for this
Ligand-Target Pair | |
Neuropeptide Y receptor type 4
(Homo sapiens (Human)) | BDBM50099197
(CHEMBL411117 | Ile-Glu-Pro-Dpr-Tyr-Arg-Leu-Arg-Tyr...)Show SMILES CC[C@H](C)[C@H](N)C(=O)N[C@@H]1CCC(=O)NC[C@@H](NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCC(=O)NC[C@H](NC(=O)[C@@H]2CCCN2C1=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)OC)NC(=O)[C@@H](N)[C@@H](C)CC)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)OC Show InChI InChI=1S/C112H172N32O26/c1-11-61(7)89(113)103(163)133-75-41-43-87(149)127-57-83(99(159)137-79(53-63-25-33-67(145)34-26-63)97(157)131-71(19-13-45-123-109(115)116)91(151)135-77(51-59(3)4)95(155)129-73(21-15-47-125-111(119)120)93(153)139-81(107(167)169-9)55-65-29-37-69(147)38-30-65)142-102(162)86-24-18-50-144(86)106(166)76(134-104(164)90(114)62(8)12-2)42-44-88(150)128-58-84(141-101(161)85-23-17-49-143(85)105(75)165)100(160)138-80(54-64-27-35-68(146)36-28-64)98(158)132-72(20-14-46-124-110(117)118)92(152)136-78(52-60(5)6)96(156)130-74(22-16-48-126-112(121)122)94(154)140-82(108(168)170-10)56-66-31-39-70(148)40-32-66/h25-40,59-62,71-86,89-90,145-148H,11-24,41-58,113-114H2,1-10H3,(H,127,149)(H,128,150)(H,129,155)(H,130,156)(H,131,157)(H,132,158)(H,133,163)(H,134,164)(H,135,151)(H,136,152)(H,137,159)(H,138,160)(H,139,153)(H,140,154)(H,141,161)(H,142,162)(H4,115,116,123)(H4,117,118,124)(H4,119,120,125)(H4,121,122,126)/t61-,62-,71-,72-,73-,74-,75-,76+,77-,78-,79-,80-,81-,82-,83-,84+,85-,86-,89-,90-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 33.4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Cincinnati and VA Medical Centers
Curated by ChEMBL
| Assay Description
Affinity for cloned Y4 receptor using [125I]-PP as radioligand |
J Med Chem 44: 1479-82 (2001)
BindingDB Entry DOI: 10.7270/Q2RJ4HRJ |
More data for this
Ligand-Target Pair | |
Neuropeptide Y receptor type 1
(Homo sapiens (Human)) | BDBM50099202
(CHEMBL265391 | Ile-Asn-Pro-Ile-Tyr-Arg-Leu-Arg-(CH...)Show SMILES CC[C@H](C)[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)CN[C@@H](Cc1ccc(O)cc1)C(N)=O Show InChI InChI=1S/C57H93N17O11/c1-7-32(5)46(59)53(83)72-43(29-45(58)77)55(85)74-25-11-14-44(74)52(82)73-47(33(6)8-2)54(84)71-42(28-35-17-21-38(76)22-18-35)51(81)69-39(13-10-24-66-57(63)64)49(79)70-41(26-31(3)4)50(80)68-36(12-9-23-65-56(61)62)30-67-40(48(60)78)27-34-15-19-37(75)20-16-34/h15-22,31-33,36,39-44,46-47,67,75-76H,7-14,23-30,59H2,1-6H3,(H2,58,77)(H2,60,78)(H,68,80)(H,69,81)(H,70,79)(H,71,84)(H,72,83)(H,73,82)(H4,61,62,65)(H4,63,64,66)/t32-,33-,36-,39-,40-,41-,42-,43-,44-,46-,47-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 34.8 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Cincinnati and VA Medical Centers
Curated by ChEMBL
| Assay Description
Affinity for cloned Y1 receptor using [125I]-PYY as radioligand |
J Med Chem 44: 1479-82 (2001)
BindingDB Entry DOI: 10.7270/Q2RJ4HRJ |
More data for this
Ligand-Target Pair | |
Neuropeptide Y receptor type 2
(Homo sapiens (Human)) | BDBM50185367
(CHEMBL413871 | H-[Trp-Arg-Nva-Arg-Tyr]3-NH2)Show SMILES CCC[C@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O |wU:154.161,136.143,125.132,88.92,99.103,81.85,56.58,70.74,33.34,3.3,18.18,7.14,wD:143.150,111.116,44.45,(19.56,-19.66,;18.24,-18.88,;16.9,-19.64,;15.57,-18.87,;15.58,-17.32,;14.25,-16.54,;12.91,-17.3,;14.26,-15.01,;15.6,-14.25,;15.61,-12.71,;16.95,-11.95,;16.96,-10.41,;18.3,-9.65,;19.63,-10.43,;18.31,-8.11,;12.93,-14.23,;11.59,-14.99,;11.58,-16.53,;10.27,-14.2,;8.93,-14.96,;10.28,-12.67,;11.62,-11.91,;13.02,-12.54,;14.06,-11.39,;13.29,-10.05,;13.78,-8.59,;12.76,-7.43,;11.24,-7.73,;10.76,-9.2,;11.79,-10.37,;14.23,-19.63,;12.9,-18.84,;14.22,-21.16,;15.55,-21.94,;16.88,-21.18,;18.21,-21.96,;19.55,-21.2,;20.88,-21.98,;22.21,-21.22,;22.23,-19.69,;23.54,-22,;15.53,-23.48,;14.19,-24.24,;16.86,-24.26,;16.85,-25.8,;15.51,-26.56,;15.5,-28.1,;16.71,-28.8,;16.7,-30.21,;15.49,-30.9,;15.47,-32.44,;14.26,-30.19,;14.27,-28.79,;18.17,-26.58,;19.51,-25.82,;18.16,-28.11,;19.49,-28.9,;20.83,-28.14,;22.15,-28.92,;22.3,-30.46,;23.82,-30.79,;24.6,-29.45,;26.12,-29.14,;26.6,-27.67,;25.58,-26.51,;24.06,-26.82,;23.57,-28.29,;19.47,-30.44,;18.14,-31.2,;20.8,-31.21,;20.79,-32.75,;22.12,-33.54,;23.45,-32.78,;24.78,-33.55,;26.12,-32.79,;27.45,-33.57,;27.44,-35.11,;28.79,-32.81,;19.45,-33.51,;18.12,-32.73,;19.44,-35.06,;18.1,-35.81,;18.09,-37.35,;19.42,-38.13,;19.41,-39.67,;16.77,-35.03,;16.78,-33.49,;15.43,-35.79,;15.42,-37.33,;16.75,-38.11,;16.74,-39.65,;18.07,-40.43,;18.06,-41.97,;19.39,-42.75,;20.72,-41.99,;19.37,-44.29,;14.08,-38.09,;12.76,-37.31,;14.08,-39.63,;12.74,-40.39,;12.73,-41.93,;14.05,-42.71,;15.39,-41.95,;16.72,-42.73,;16.71,-44.26,;18.04,-45.04,;15.37,-45.02,;14.05,-44.24,;11.41,-39.61,;11.42,-38.07,;10.07,-40.37,;8.74,-39.59,;8.84,-38.05,;7.56,-37.19,;6.12,-37.73,;5.16,-36.53,;6.01,-35.24,;5.61,-33.74,;6.71,-32.66,;8.21,-33.06,;8.6,-34.57,;7.5,-35.65,;7.4,-40.35,;7.39,-41.89,;6.08,-39.57,;4.74,-40.33,;4.73,-41.87,;6.05,-42.65,;6.04,-44.18,;7.37,-44.97,;8.71,-44.21,;8.72,-42.66,;10.04,-44.99,;3.41,-39.55,;3.42,-38.01,;2.07,-40.31,;.75,-39.53,;-.59,-40.29,;-1.92,-39.51,;-3.26,-40.27,;.76,-37.99,;-.57,-37.21,;2.1,-37.23,;2.11,-35.69,;3.45,-34.93,;3.46,-33.39,;4.8,-32.63,;4.81,-31.09,;6.15,-30.33,;7.48,-31.11,;6.16,-28.8,;.78,-34.91,;-.55,-35.67,;.8,-33.37,;-.53,-32.59,;-1.87,-33.35,;-3.2,-32.58,;-3.18,-31.03,;-4.52,-30.26,;-5.85,-31.02,;-7.17,-30.24,;-5.86,-32.56,;-4.53,-33.33,;-.52,-31.05,;-1.85,-30.27,;.82,-30.3,)| Show InChI InChI=1S/C111H159N37O18/c1-4-19-77(136-96(157)80(28-13-46-126-106(114)115)135-92(153)73(112)55-64-58-132-74-25-10-7-22-70(64)74)94(155)140-84(32-17-50-130-110(122)123)100(161)145-87(53-62-36-42-68(150)43-37-62)102(163)148-90(57-66-60-134-76-27-12-9-24-72(66)76)105(166)143-82(30-15-48-128-108(118)119)98(159)138-79(21-6-3)95(156)141-85(33-18-51-131-111(124)125)101(162)146-88(54-63-38-44-69(151)45-39-63)103(164)147-89(56-65-59-133-75-26-11-8-23-71(65)75)104(165)142-81(29-14-47-127-107(116)117)97(158)137-78(20-5-2)93(154)139-83(31-16-49-129-109(120)121)99(160)144-86(91(113)152)52-61-34-40-67(149)41-35-61/h7-12,22-27,34-45,58-60,73,77-90,132-134,149-151H,4-6,13-21,28-33,46-57,112H2,1-3H3,(H2,113,152)(H,135,153)(H,136,157)(H,137,158)(H,138,159)(H,139,154)(H,140,155)(H,141,156)(H,142,165)(H,143,166)(H,144,160)(H,145,161)(H,146,162)(H,147,164)(H,148,163)(H4,114,115,126)(H4,116,117,127)(H4,118,119,128)(H4,120,121,129)(H4,122,123,130)(H4,124,125,131)/t73-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 50 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Cincinnati
Curated by ChEMBL
| Assay Description
Displacement of [125I]NPY from human NPY2 receptor expressed in CHO cells |
J Med Chem 49: 2661-5 (2006)
Article DOI: 10.1021/jm050907d
BindingDB Entry DOI: 10.7270/Q2XS5TZ9 |
More data for this
Ligand-Target Pair | |
Neuropeptide Y receptor type 2
(Homo sapiens (Human)) | BDBM50409214
(CHEMBL2110365 | GR-231118)Show SMILES CC[C@H](C)[C@H](N)C(=O)N[C@H]1CCC(=O)NC[C@H](NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCC(=O)NC[C@H](NC(=O)[C@@H]2CCCN2C1=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)NC(=O)[C@@H](N)[C@@H](C)CC)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O Show InChI InChI=1S/C110H170N34O24/c1-9-59(7)87(111)103(165)133-73-39-41-85(149)127-55-81(99(161)139-79(53-63-27-35-67(147)36-28-63)97(159)131-71(19-13-45-125-109(119)120)93(155)137-77(49-57(3)4)95(157)129-69(17-11-43-123-107(115)116)91(153)135-75(89(113)151)51-61-23-31-65(145)32-24-61)142-102(164)84-22-16-48-144(84)106(168)74(134-104(166)88(112)60(8)10-2)40-42-86(150)128-56-82(141-101(163)83-21-15-47-143(83)105(73)167)100(162)140-80(54-64-29-37-68(148)38-30-64)98(160)132-72(20-14-46-126-110(121)122)94(156)138-78(50-58(5)6)96(158)130-70(18-12-44-124-108(117)118)92(154)136-76(90(114)152)52-62-25-33-66(146)34-26-62/h23-38,57-60,69-84,87-88,145-148H,9-22,39-56,111-112H2,1-8H3,(H2,113,151)(H2,114,152)(H,127,149)(H,128,150)(H,129,157)(H,130,158)(H,131,159)(H,132,160)(H,133,165)(H,134,166)(H,135,153)(H,136,154)(H,137,155)(H,138,156)(H,139,161)(H,140,162)(H,141,163)(H,142,164)(H4,115,116,123)(H4,117,118,124)(H4,119,120,125)(H4,121,122,126)/t59-,60-,69-,70-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,87-,88-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| PubMed
| 55 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Cincinnati and VA Medical Centers
Curated by ChEMBL
| Assay Description
Affinity for cloned Y2 receptor using [125I]-PYY as radioligand |
J Med Chem 44: 1479-82 (2001)
BindingDB Entry DOI: 10.7270/Q2RJ4HRJ |
More data for this
Ligand-Target Pair | |
Neuropeptide Y receptor type 4
(Homo sapiens (Human)) | BDBM50099201
(CHEMBL413455 | Ile-Asn-Pro-Cys-Tyr-Arg-Leu-Arg-(CH...)Show SMILES CC[C@H](C)[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@H](CSSC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@@H](N)[C@@H](C)CC)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)CN[C@@H](Cc1ccc(O)cc1)C(N)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)CN[C@@H](Cc1ccc(O)cc1)C(N)=O Show InChI InChI=1S/C108H172N34O22S2/c1-9-59(7)87(111)101(161)137-79(51-85(109)147)103(163)141-43-15-21-83(141)99(159)139-81(97(157)135-77(49-63-27-35-69(145)36-28-63)95(155)131-71(19-13-41-125-107(119)120)91(151)133-75(45-57(3)4)93(153)129-65(17-11-39-123-105(115)116)53-127-73(89(113)149)47-61-23-31-67(143)32-24-61)55-165-166-56-82(140-100(160)84-22-16-44-142(84)104(164)80(52-86(110)148)138-102(162)88(112)60(8)10-2)98(158)136-78(50-64-29-37-70(146)38-30-64)96(156)132-72(20-14-42-126-108(121)122)92(152)134-76(46-58(5)6)94(154)130-66(18-12-40-124-106(117)118)54-128-74(90(114)150)48-62-25-33-68(144)34-26-62/h23-38,57-60,65-66,71-84,87-88,127-128,143-146H,9-22,39-56,111-112H2,1-8H3,(H2,109,147)(H2,110,148)(H2,113,149)(H2,114,150)(H,129,153)(H,130,154)(H,131,155)(H,132,156)(H,133,151)(H,134,152)(H,135,157)(H,136,158)(H,137,161)(H,138,162)(H,139,159)(H,140,160)(H4,115,116,123)(H4,117,118,124)(H4,119,120,125)(H4,121,122,126)/t59-,60-,65-,66-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82+,83-,84-,87-,88-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| PubMed
| 65 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Cincinnati and VA Medical Centers
Curated by ChEMBL
| Assay Description
Affinity for cloned Y4 receptor using [125I]-PP as radioligand |
J Med Chem 44: 1479-82 (2001)
BindingDB Entry DOI: 10.7270/Q2RJ4HRJ |
More data for this
Ligand-Target Pair | |
Neuropeptide Y receptor type 4
(Homo sapiens (Human)) | BDBM50099200
(CHEMBL410166 | Ile-Glu-Pro-Dpr-Tyr-Arg-Leu-Arg-(CH...)Show SMILES CC[C@H](C)[C@H](N)C(=O)N[C@@H]1CCC(=O)NC[C@@H](NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCC(=O)NC[C@H](NC(=O)[C@@H]2CCCN2C1=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)CN[C@@H](Cc1ccc(O)cc1)C(N)=O)NC(=O)[C@@H](N)[C@@H](C)CC)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)CN[C@@H](Cc1ccc(O)cc1)C(N)=O Show InChI InChI=1S/C110H174N34O22/c1-9-61(7)89(111)103(163)135-75-39-41-87(149)129-57-83(99(159)139-81(53-65-27-35-71(147)36-28-65)97(157)133-73(19-13-45-125-109(119)120)93(153)137-79(49-59(3)4)95(155)131-67(17-11-43-123-107(115)116)55-127-77(91(113)151)51-63-23-31-69(145)32-24-63)142-102(162)86-22-16-48-144(86)106(166)76(136-104(164)90(112)62(8)10-2)40-42-88(150)130-58-84(141-101(161)85-21-15-47-143(85)105(75)165)100(160)140-82(54-66-29-37-72(148)38-30-66)98(158)134-74(20-14-46-126-110(121)122)94(154)138-80(50-60(5)6)96(156)132-68(18-12-44-124-108(117)118)56-128-78(92(114)152)52-64-25-33-70(146)34-26-64/h23-38,59-62,67-68,73-86,89-90,127-128,145-148H,9-22,39-58,111-112H2,1-8H3,(H2,113,151)(H2,114,152)(H,129,149)(H,130,150)(H,131,155)(H,132,156)(H,133,157)(H,134,158)(H,135,163)(H,136,164)(H,137,153)(H,138,154)(H,139,159)(H,140,160)(H,141,161)(H,142,162)(H4,115,116,123)(H4,117,118,124)(H4,119,120,125)(H4,121,122,126)/t61-,62-,67-,68-,73-,74-,75-,76+,77-,78-,79-,80-,81-,82-,83-,84+,85-,86-,89-,90-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 65.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Cincinnati and VA Medical Centers
Curated by ChEMBL
| Assay Description
Affinity for cloned Y4 receptor using [125I]-PP as radioligand |
J Med Chem 44: 1479-82 (2001)
BindingDB Entry DOI: 10.7270/Q2RJ4HRJ |
More data for this
Ligand-Target Pair | |
Neuropeptide Y receptor type 1
(Homo sapiens (Human)) | BDBM50185366
(CHEMBL2371911 | CHEMBL436499 | Sub[-Trp-Arg-Nva-Ar...)Show SMILES CCC[C@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)CCCC[C@H](N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O |wU:3.3,18.18,75.79,68.71,43.45,101.106,32.35,wD:112.117,7.7,86.90,57.61,38.39,(13.8,-37.49,;13.73,-39.03,;15.03,-39.86,;14.95,-41.4,;13.59,-42.11,;12.29,-41.28,;12.35,-39.74,;10.92,-41.99,;10.85,-43.53,;12.15,-44.36,;12.08,-45.89,;13.39,-46.72,;13.31,-48.26,;11.94,-48.97,;14.61,-49.09,;9.62,-41.16,;8.26,-41.87,;8.19,-43.41,;6.96,-41.04,;7.03,-39.5,;8.39,-38.79,;9.78,-39.46,;10.85,-38.35,;10.14,-36.98,;10.66,-35.53,;9.67,-34.34,;8.15,-34.59,;7.62,-36.04,;8.6,-37.24,;5.58,-41.75,;4.22,-41.06,;4.14,-39.53,;2.94,-41.89,;3.02,-43.41,;1.58,-41.19,;1.51,-39.66,;.15,-38.97,;.07,-37.45,;-1.29,-36.75,;-2.57,-37.58,;-1.37,-35.23,;-.09,-34.4,;-2.73,-34.54,;-2.73,-32.99,;-4.07,-32.23,;-4.07,-30.69,;-2.85,-29.76,;-3.35,-28.3,;-4.89,-28.31,;-5.94,-27.17,;-7.45,-27.52,;-7.91,-28.99,;-6.87,-30.12,;-5.36,-29.79,;-1.4,-32.22,;-.06,-32.98,;-1.41,-30.68,;-.08,-29.9,;1.26,-30.66,;2.59,-29.89,;3.93,-30.65,;5.26,-29.87,;6.6,-30.64,;6.61,-32.18,;7.93,-29.87,;-.08,-28.36,;-1.42,-27.6,;1.25,-27.58,;1.24,-26.05,;-.1,-25.27,;-1.43,-26.05,;-2.76,-25.29,;2.57,-25.26,;3.91,-26.03,;2.57,-23.72,;1.23,-22.96,;-.1,-23.73,;-1.44,-22.97,;-2.77,-23.75,;-4.11,-22.98,;-5.43,-23.77,;-5.43,-25.3,;-6.78,-22.99,;1.22,-21.42,;2.55,-20.64,;-.11,-20.67,;-.12,-19.11,;1.22,-18.34,;1.21,-16.79,;-.01,-16.09,;-.02,-14.7,;1.19,-14,;1.19,-12.45,;2.41,-14.68,;2.41,-16.09,;-1.46,-18.34,;-1.46,-16.79,;-2.79,-19.13,;16.26,-42.22,;16.19,-43.76,;17.62,-41.51,;17.69,-39.97,;16.39,-39.15,;16.46,-37.61,;15.16,-36.78,;15.23,-35.24,;13.93,-34.41,;12.56,-35.12,;14,-32.87,;19.06,-39.26,;20.36,-40.09,;19.12,-37.72,;20.5,-37.01,;21.79,-37.84,;23.16,-37.14,;23.22,-35.74,;24.47,-35.09,;25.64,-35.85,;27.01,-35.13,;25.59,-37.25,;24.34,-37.89,;20.57,-35.48,;21.93,-34.76,;19.26,-34.65,)| Show InChI InChI=1S/C82H122N28O14/c1-3-15-57(71(117)103-61(25-13-37-97-81(91)92)75(121)107-63(67(85)113)39-45-27-31-49(111)32-28-45)101-73(119)59(23-11-35-95-79(87)88)105-77(123)65(41-47-43-99-55-21-9-5-17-51(47)55)109-69(115)53(83)19-7-8-20-54(84)70(116)110-66(42-48-44-100-56-22-10-6-18-52(48)56)78(124)106-60(24-12-36-96-80(89)90)74(120)102-58(16-4-2)72(118)104-62(26-14-38-98-82(93)94)76(122)108-64(68(86)114)40-46-29-33-50(112)34-30-46/h5-6,9-10,17-18,21-22,27-34,43-44,53-54,57-66,99-100,111-112H,3-4,7-8,11-16,19-20,23-26,35-42,83-84H2,1-2H3,(H2,85,113)(H2,86,114)(H,101,119)(H,102,120)(H,103,117)(H,104,118)(H,105,123)(H,106,124)(H,107,121)(H,108,122)(H,109,115)(H,110,116)(H4,87,88,95)(H4,89,90,96)(H4,91,92,97)(H4,93,94,98)/t53?,54?,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Cincinnati
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against Factor Xa |
J Med Chem 49: 2661-5 (2006)
Article DOI: 10.1021/jm050907d
BindingDB Entry DOI: 10.7270/Q2XS5TZ9 |
More data for this
Ligand-Target Pair | |
Neuropeptide Y receptor type 1
(Homo sapiens (Human)) | BDBM50185366
(CHEMBL2371911 | CHEMBL436499 | Sub[-Trp-Arg-Nva-Ar...)Show SMILES CCC[C@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)CCCC[C@H](N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O |wU:3.3,18.18,75.79,68.71,43.45,101.106,32.35,wD:112.117,7.7,86.90,57.61,38.39,(13.8,-37.49,;13.73,-39.03,;15.03,-39.86,;14.95,-41.4,;13.59,-42.11,;12.29,-41.28,;12.35,-39.74,;10.92,-41.99,;10.85,-43.53,;12.15,-44.36,;12.08,-45.89,;13.39,-46.72,;13.31,-48.26,;11.94,-48.97,;14.61,-49.09,;9.62,-41.16,;8.26,-41.87,;8.19,-43.41,;6.96,-41.04,;7.03,-39.5,;8.39,-38.79,;9.78,-39.46,;10.85,-38.35,;10.14,-36.98,;10.66,-35.53,;9.67,-34.34,;8.15,-34.59,;7.62,-36.04,;8.6,-37.24,;5.58,-41.75,;4.22,-41.06,;4.14,-39.53,;2.94,-41.89,;3.02,-43.41,;1.58,-41.19,;1.51,-39.66,;.15,-38.97,;.07,-37.45,;-1.29,-36.75,;-2.57,-37.58,;-1.37,-35.23,;-.09,-34.4,;-2.73,-34.54,;-2.73,-32.99,;-4.07,-32.23,;-4.07,-30.69,;-2.85,-29.76,;-3.35,-28.3,;-4.89,-28.31,;-5.94,-27.17,;-7.45,-27.52,;-7.91,-28.99,;-6.87,-30.12,;-5.36,-29.79,;-1.4,-32.22,;-.06,-32.98,;-1.41,-30.68,;-.08,-29.9,;1.26,-30.66,;2.59,-29.89,;3.93,-30.65,;5.26,-29.87,;6.6,-30.64,;6.61,-32.18,;7.93,-29.87,;-.08,-28.36,;-1.42,-27.6,;1.25,-27.58,;1.24,-26.05,;-.1,-25.27,;-1.43,-26.05,;-2.76,-25.29,;2.57,-25.26,;3.91,-26.03,;2.57,-23.72,;1.23,-22.96,;-.1,-23.73,;-1.44,-22.97,;-2.77,-23.75,;-4.11,-22.98,;-5.43,-23.77,;-5.43,-25.3,;-6.78,-22.99,;1.22,-21.42,;2.55,-20.64,;-.11,-20.67,;-.12,-19.11,;1.22,-18.34,;1.21,-16.79,;-.01,-16.09,;-.02,-14.7,;1.19,-14,;1.19,-12.45,;2.41,-14.68,;2.41,-16.09,;-1.46,-18.34,;-1.46,-16.79,;-2.79,-19.13,;16.26,-42.22,;16.19,-43.76,;17.62,-41.51,;17.69,-39.97,;16.39,-39.15,;16.46,-37.61,;15.16,-36.78,;15.23,-35.24,;13.93,-34.41,;12.56,-35.12,;14,-32.87,;19.06,-39.26,;20.36,-40.09,;19.12,-37.72,;20.5,-37.01,;21.79,-37.84,;23.16,-37.14,;23.22,-35.74,;24.47,-35.09,;25.64,-35.85,;27.01,-35.13,;25.59,-37.25,;24.34,-37.89,;20.57,-35.48,;21.93,-34.76,;19.26,-34.65,)| Show InChI InChI=1S/C82H122N28O14/c1-3-15-57(71(117)103-61(25-13-37-97-81(91)92)75(121)107-63(67(85)113)39-45-27-31-49(111)32-28-45)101-73(119)59(23-11-35-95-79(87)88)105-77(123)65(41-47-43-99-55-21-9-5-17-51(47)55)109-69(115)53(83)19-7-8-20-54(84)70(116)110-66(42-48-44-100-56-22-10-6-18-52(48)56)78(124)106-60(24-12-36-96-80(89)90)74(120)102-58(16-4-2)72(118)104-62(26-14-38-98-82(93)94)76(122)108-64(68(86)114)40-46-29-33-50(112)34-30-46/h5-6,9-10,17-18,21-22,27-34,43-44,53-54,57-66,99-100,111-112H,3-4,7-8,11-16,19-20,23-26,35-42,83-84H2,1-2H3,(H2,85,113)(H2,86,114)(H,101,119)(H,102,120)(H,103,117)(H,104,118)(H,105,123)(H,106,124)(H,107,121)(H,108,122)(H,109,115)(H,110,116)(H4,87,88,95)(H4,89,90,96)(H4,91,92,97)(H4,93,94,98)/t53?,54?,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Cincinnati
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against Factor Xa |
J Med Chem 49: 2661-5 (2006)
Article DOI: 10.1021/jm050907d
BindingDB Entry DOI: 10.7270/Q2XS5TZ9 |
More data for this
Ligand-Target Pair | |
Neuropeptide Y receptor type 4
(Homo sapiens (Human)) | BDBM50099199
(CHEMBL413426 | Ile-Asn-Pro-Cys-Tyr-Arg-Leu-Arg-Tyr...)Show SMILES CC[C@H](C)[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@H](CSSC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@@H](N)[C@@H](C)CC)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)OC)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)OC Show InChI InChI=1S/C110H170N32O26S2/c1-11-59(7)87(113)101(161)135-77(53-85(111)147)103(163)141-45-17-23-83(141)99(159)139-81(97(157)133-75(49-61-25-33-65(143)34-26-61)95(155)129-69(19-13-41-123-107(115)116)89(149)131-73(47-57(3)4)93(153)127-71(21-15-43-125-109(119)120)91(151)137-79(105(165)167-9)51-63-29-37-67(145)38-30-63)55-169-170-56-82(140-100(160)84-24-18-46-142(84)104(164)78(54-86(112)148)136-102(162)88(114)60(8)12-2)98(158)134-76(50-62-27-35-66(144)36-28-62)96(156)130-70(20-14-42-124-108(117)118)90(150)132-74(48-58(5)6)94(154)128-72(22-16-44-126-110(121)122)92(152)138-80(106(166)168-10)52-64-31-39-68(146)40-32-64/h25-40,57-60,69-84,87-88,143-146H,11-24,41-56,113-114H2,1-10H3,(H2,111,147)(H2,112,148)(H,127,153)(H,128,154)(H,129,155)(H,130,156)(H,131,149)(H,132,150)(H,133,157)(H,134,158)(H,135,161)(H,136,162)(H,137,151)(H,138,152)(H,139,159)(H,140,160)(H4,115,116,123)(H4,117,118,124)(H4,119,120,125)(H4,121,122,126)/t59-,60-,69-,70-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82+,83-,84-,87-,88-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| PubMed
| 99 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Cincinnati and VA Medical Centers
Curated by ChEMBL
| Assay Description
Affinity for cloned Y4 receptor using [125I]-PP as radioligand |
J Med Chem 44: 1479-82 (2001)
BindingDB Entry DOI: 10.7270/Q2RJ4HRJ |
More data for this
Ligand-Target Pair | |
Neuropeptide Y receptor type 5
(Homo sapiens (Human)) | BDBM50409214
(CHEMBL2110365 | GR-231118)Show SMILES CC[C@H](C)[C@H](N)C(=O)N[C@H]1CCC(=O)NC[C@H](NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCC(=O)NC[C@H](NC(=O)[C@@H]2CCCN2C1=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)NC(=O)[C@@H](N)[C@@H](C)CC)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O Show InChI InChI=1S/C110H170N34O24/c1-9-59(7)87(111)103(165)133-73-39-41-85(149)127-55-81(99(161)139-79(53-63-27-35-67(147)36-28-63)97(159)131-71(19-13-45-125-109(119)120)93(155)137-77(49-57(3)4)95(157)129-69(17-11-43-123-107(115)116)91(153)135-75(89(113)151)51-61-23-31-65(145)32-24-61)142-102(164)84-22-16-48-144(84)106(168)74(134-104(166)88(112)60(8)10-2)40-42-86(150)128-56-82(141-101(163)83-21-15-47-143(83)105(73)167)100(162)140-80(54-64-29-37-68(148)38-30-64)98(160)132-72(20-14-46-126-110(121)122)94(156)138-78(50-58(5)6)96(158)130-70(18-12-44-124-108(117)118)92(154)136-76(90(114)152)52-62-25-33-66(146)34-26-62/h23-38,57-60,69-84,87-88,145-148H,9-22,39-56,111-112H2,1-8H3,(H2,113,151)(H2,114,152)(H,127,149)(H,128,150)(H,129,157)(H,130,158)(H,131,159)(H,132,160)(H,133,165)(H,134,166)(H,135,153)(H,136,154)(H,137,155)(H,138,156)(H,139,161)(H,140,162)(H,141,163)(H,142,164)(H4,115,116,123)(H4,117,118,124)(H4,119,120,125)(H4,121,122,126)/t59-,60-,69-,70-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,87-,88-/m0/s1 | KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| PubMed
| 115 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Cincinnati and VA Medical Centers
Curated by ChEMBL
| Assay Description
Affinity for cloned Y5 receptor using [125I]-PYY as radioligand |
J Med Chem 44: 1479-82 (2001)
BindingDB Entry DOI: 10.7270/Q2RJ4HRJ |
More data for this
Ligand-Target Pair | |
Neuropeptide Y receptor type 1
(Homo sapiens (Human)) | BDBM50185368
(CHEMBL2371910 | CHEMBL439884 | Pim[-Trp-Arg-Nva-Ar...)Show SMILES CCC[C@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)CCC[C@H](N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O |wU:111.116,18.18,85.89,42.44,32.35,wD:3.2,74.77,67.71,56.60,7.7,37.38,100.104,(-6.32,-13.79,;-5,-13.01,;-3.66,-13.78,;-2.33,-13,;-2.33,-11.46,;-1,-10.69,;.33,-11.45,;-1,-9.14,;-2.34,-8.38,;-2.35,-6.84,;-3.69,-6.08,;-3.69,-4.53,;-2.36,-3.76,;-2.37,-2.22,;-1.02,-4.52,;.32,-8.36,;.31,-6.82,;-1.03,-6.06,;1.65,-6.05,;2.98,-6.81,;2.98,-8.36,;1.74,-9.26,;2.23,-10.72,;3.77,-10.72,;4.8,-11.86,;6.3,-11.54,;6.78,-10.07,;5.74,-8.93,;4.24,-9.25,;1.64,-4.51,;2.97,-3.73,;4.31,-4.48,;2.96,-2.18,;1.61,-1.43,;4.28,-1.41,;4.27,.14,;5.59,.92,;5.58,2.46,;4.24,3.21,;6.91,3.24,;6.89,4.78,;8.25,2.49,;9.59,3.25,;9.59,4.79,;10.94,5.55,;12.34,4.91,;13.37,6.05,;12.61,7.39,;13.1,8.86,;12.08,10,;10.57,9.7,;10.09,8.23,;11.11,7.08,;10.91,2.47,;10.9,.93,;12.25,3.23,;13.58,2.45,;13.57,.91,;12.23,.15,;12.22,-1.39,;10.88,-2.15,;9.55,-1.37,;8.22,-2.13,;9.56,.17,;14.92,3.21,;14.93,4.75,;16.25,2.43,;17.59,3.19,;18.92,2.41,;18.91,.87,;20.24,.09,;17.6,4.73,;16.27,5.51,;18.94,5.49,;20.26,4.71,;20.25,3.17,;21.58,2.39,;21.57,.85,;22.9,.07,;22.89,-1.47,;21.55,-2.23,;24.22,-2.25,;21.61,5.47,;21.62,7.01,;22.94,4.69,;24.27,5.45,;24.29,6.99,;25.63,7.75,;25.63,9.29,;26.97,10.05,;28.3,9.28,;29.64,10.04,;28.29,7.74,;26.95,6.97,;25.6,4.67,;26.94,5.43,;25.59,3.13,;-.99,-13.76,;.34,-12.99,;-.99,-15.31,;-2.31,-16.08,;-3.65,-15.31,;-4.98,-16.09,;-6.32,-15.32,;-7.65,-16.1,;-8.99,-15.34,;-8.99,-13.79,;-10.31,-16.11,;-2.31,-17.62,;-.97,-18.38,;-3.64,-18.4,;-3.63,-19.94,;-2.3,-20.71,;-2.29,-22.24,;-.95,-23,;-.95,-24.54,;-2.28,-25.32,;-2.27,-26.86,;-3.62,-24.55,;-3.62,-23.02,;-4.96,-20.71,;-4.95,-22.25,;-6.3,-19.95,)| Show InChI InChI=1S/C81H120N28O14/c1-3-14-56(70(116)102-60(24-12-36-96-80(90)91)74(120)106-62(66(84)112)38-44-26-30-48(110)31-27-44)100-72(118)58(22-10-34-94-78(86)87)104-76(122)64(40-46-42-98-54-20-7-5-16-50(46)54)108-68(114)52(82)18-9-19-53(83)69(115)109-65(41-47-43-99-55-21-8-6-17-51(47)55)77(123)105-59(23-11-35-95-79(88)89)73(119)101-57(15-4-2)71(117)103-61(25-13-37-97-81(92)93)75(121)107-63(67(85)113)39-45-28-32-49(111)33-29-45/h5-8,16-17,20-21,26-33,42-43,52-53,56-65,98-99,110-111H,3-4,9-15,18-19,22-25,34-41,82-83H2,1-2H3,(H2,84,112)(H2,85,113)(H,100,118)(H,101,119)(H,102,116)(H,103,117)(H,104,122)(H,105,123)(H,106,120)(H,107,121)(H,108,114)(H,109,115)(H4,86,87,94)(H4,88,89,95)(H4,90,91,96)(H4,92,93,97)/t52?,53?,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 140 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Cincinnati
Curated by ChEMBL
| Assay Description
Displacement of [125I]NPY from human NPY1 receptor expressed in CHO cells |
J Med Chem 49: 2661-5 (2006)
Article DOI: 10.1021/jm050907d
BindingDB Entry DOI: 10.7270/Q2XS5TZ9 |
More data for this
Ligand-Target Pair | |
Neuropeptide Y receptor type 1
(Homo sapiens (Human)) | BDBM50185365
(Adp[-Trp-Arg-Nva-Arg-Tyr-NH2]2 | CHEMBL2371909 | C...)Show SMILES CCC[C@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)CC[C@H](N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O |wU:99.104,3.3,18.18,73.77,66.69,41.43,wD:110.115,7.7,84.88,55.59,32.35,36.39,(.45,-20.37,;.5,-18.83,;-.81,-18.01,;-.76,-16.47,;.6,-15.75,;1.91,-16.56,;1.86,-18.1,;3.26,-15.83,;3.31,-14.29,;2.01,-13.48,;2.06,-11.94,;.74,-11.13,;.79,-9.59,;2.16,-8.86,;-.51,-8.78,;4.57,-16.65,;5.93,-15.92,;5.98,-14.38,;7.24,-16.73,;7.19,-18.27,;5.83,-19,;4.44,-18.35,;3.38,-19.47,;4.11,-20.83,;3.6,-22.29,;4.61,-23.46,;6.13,-23.19,;6.64,-21.73,;5.64,-20.55,;8.6,-16,;8.56,-14.47,;7.22,-13.75,;9.86,-13.67,;11.2,-14.39,;9.82,-12.14,;11.11,-11.35,;11.07,-9.82,;9.73,-9.1,;12.37,-9.03,;12.33,-7.5,;13.71,-9.75,;15.05,-8.98,;15.05,-7.44,;16.38,-6.67,;17.79,-7.28,;18.82,-6.12,;18.04,-4.78,;18.5,-3.31,;17.46,-2.17,;15.95,-2.49,;15.48,-3.97,;16.52,-5.12,;16.38,-9.75,;16.38,-11.29,;17.72,-8.98,;19.05,-9.75,;19.05,-11.29,;20.38,-12.06,;20.38,-13.6,;21.72,-14.37,;21.72,-15.91,;20.38,-16.68,;23.05,-16.68,;20.38,-8.98,;20.38,-7.44,;21.72,-9.75,;23.05,-8.98,;23.05,-7.44,;21.72,-6.67,;21.72,-5.13,;24.39,-9.75,;24.39,-11.29,;25.72,-8.98,;25.72,-7.44,;24.39,-6.67,;24.39,-5.13,;23.05,-4.36,;23.05,-2.82,;21.72,-2.05,;20.38,-2.82,;21.72,-.51,;27.05,-6.67,;28.39,-7.44,;27.05,-5.13,;28.39,-4.36,;29.72,-5.13,;31.05,-4.36,;31.05,-2.96,;32.27,-2.26,;33.47,-2.96,;34.81,-2.19,;33.47,-4.36,;32.26,-5.06,;28.39,-2.82,;29.72,-2.05,;27.05,-2.05,;-2.07,-15.66,;-2.02,-14.12,;-3.43,-16.39,;-3.48,-17.93,;-2.17,-18.74,;-2.22,-20.28,;-.91,-21.09,;-.96,-22.63,;.35,-23.44,;1.71,-22.72,;.3,-24.98,;-4.83,-18.66,;-6.14,-17.84,;-4.88,-20.19,;-6.24,-20.92,;-7.55,-20.11,;-8.91,-20.84,;-8.95,-22.24,;-10.19,-22.9,;-11.37,-22.16,;-12.74,-22.89,;-11.34,-20.76,;-10.1,-20.1,;-6.29,-22.46,;-7.65,-23.19,;-4.98,-23.27,)| Show InChI InChI=1S/C80H118N28O14/c1-3-13-55(69(115)101-59(21-11-35-95-79(89)90)73(119)105-61(65(83)111)37-43-23-27-47(109)28-24-43)99-71(117)57(19-9-33-93-77(85)86)103-75(121)63(39-45-41-97-53-17-7-5-15-49(45)53)107-67(113)51(81)31-32-52(82)68(114)108-64(40-46-42-98-54-18-8-6-16-50(46)54)76(122)104-58(20-10-34-94-78(87)88)72(118)100-56(14-4-2)70(116)102-60(22-12-36-96-80(91)92)74(120)106-62(66(84)112)38-44-25-29-48(110)30-26-44/h5-8,15-18,23-30,41-42,51-52,55-64,97-98,109-110H,3-4,9-14,19-22,31-40,81-82H2,1-2H3,(H2,83,111)(H2,84,112)(H,99,117)(H,100,118)(H,101,115)(H,102,116)(H,103,121)(H,104,122)(H,105,119)(H,106,120)(H,107,113)(H,108,114)(H4,85,86,93)(H4,87,88,94)(H4,89,90,95)(H4,91,92,96)/t51?,52?,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 140 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Cincinnati
Curated by ChEMBL
| Assay Description
Displacement of [125I]NPY from human NPY1 receptor expressed in CHO cells |
J Med Chem 49: 2661-5 (2006)
Article DOI: 10.1021/jm050907d
BindingDB Entry DOI: 10.7270/Q2XS5TZ9 |
More data for this
Ligand-Target Pair | |
Neuropeptide Y receptor type 1
(Homo sapiens (Human)) | BDBM50185368
(CHEMBL2371910 | CHEMBL439884 | Pim[-Trp-Arg-Nva-Ar...)Show SMILES CCC[C@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)CCC[C@H](N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O |wU:111.116,18.18,85.89,42.44,32.35,wD:3.2,74.77,67.71,56.60,7.7,37.38,100.104,(-6.32,-13.79,;-5,-13.01,;-3.66,-13.78,;-2.33,-13,;-2.33,-11.46,;-1,-10.69,;.33,-11.45,;-1,-9.14,;-2.34,-8.38,;-2.35,-6.84,;-3.69,-6.08,;-3.69,-4.53,;-2.36,-3.76,;-2.37,-2.22,;-1.02,-4.52,;.32,-8.36,;.31,-6.82,;-1.03,-6.06,;1.65,-6.05,;2.98,-6.81,;2.98,-8.36,;1.74,-9.26,;2.23,-10.72,;3.77,-10.72,;4.8,-11.86,;6.3,-11.54,;6.78,-10.07,;5.74,-8.93,;4.24,-9.25,;1.64,-4.51,;2.97,-3.73,;4.31,-4.48,;2.96,-2.18,;1.61,-1.43,;4.28,-1.41,;4.27,.14,;5.59,.92,;5.58,2.46,;4.24,3.21,;6.91,3.24,;6.89,4.78,;8.25,2.49,;9.59,3.25,;9.59,4.79,;10.94,5.55,;12.34,4.91,;13.37,6.05,;12.61,7.39,;13.1,8.86,;12.08,10,;10.57,9.7,;10.09,8.23,;11.11,7.08,;10.91,2.47,;10.9,.93,;12.25,3.23,;13.58,2.45,;13.57,.91,;12.23,.15,;12.22,-1.39,;10.88,-2.15,;9.55,-1.37,;8.22,-2.13,;9.56,.17,;14.92,3.21,;14.93,4.75,;16.25,2.43,;17.59,3.19,;18.92,2.41,;18.91,.87,;20.24,.09,;17.6,4.73,;16.27,5.51,;18.94,5.49,;20.26,4.71,;20.25,3.17,;21.58,2.39,;21.57,.85,;22.9,.07,;22.89,-1.47,;21.55,-2.23,;24.22,-2.25,;21.61,5.47,;21.62,7.01,;22.94,4.69,;24.27,5.45,;24.29,6.99,;25.63,7.75,;25.63,9.29,;26.97,10.05,;28.3,9.28,;29.64,10.04,;28.29,7.74,;26.95,6.97,;25.6,4.67,;26.94,5.43,;25.59,3.13,;-.99,-13.76,;.34,-12.99,;-.99,-15.31,;-2.31,-16.08,;-3.65,-15.31,;-4.98,-16.09,;-6.32,-15.32,;-7.65,-16.1,;-8.99,-15.34,;-8.99,-13.79,;-10.31,-16.11,;-2.31,-17.62,;-.97,-18.38,;-3.64,-18.4,;-3.63,-19.94,;-2.3,-20.71,;-2.29,-22.24,;-.95,-23,;-.95,-24.54,;-2.28,-25.32,;-2.27,-26.86,;-3.62,-24.55,;-3.62,-23.02,;-4.96,-20.71,;-4.95,-22.25,;-6.3,-19.95,)| Show InChI InChI=1S/C81H120N28O14/c1-3-14-56(70(116)102-60(24-12-36-96-80(90)91)74(120)106-62(66(84)112)38-44-26-30-48(110)31-27-44)100-72(118)58(22-10-34-94-78(86)87)104-76(122)64(40-46-42-98-54-20-7-5-16-50(46)54)108-68(114)52(82)18-9-19-53(83)69(115)109-65(41-47-43-99-55-21-8-6-17-51(47)55)77(123)105-59(23-11-35-95-79(88)89)73(119)101-57(15-4-2)71(117)103-61(25-13-37-97-81(92)93)75(121)107-63(67(85)113)39-45-28-32-49(111)33-29-45/h5-8,16-17,20-21,26-33,42-43,52-53,56-65,98-99,110-111H,3-4,9-15,18-19,22-25,34-41,82-83H2,1-2H3,(H2,84,112)(H2,85,113)(H,100,118)(H,101,119)(H,102,116)(H,103,117)(H,104,122)(H,105,123)(H,106,120)(H,107,121)(H,108,114)(H,109,115)(H4,86,87,94)(H4,88,89,95)(H4,90,91,96)(H4,92,93,97)/t52?,53?,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 140 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Cincinnati
Curated by ChEMBL
| Assay Description
Inhibitory activity against Opioid receptor kappa 1 expressed in HEK-293 cells |
J Med Chem 49: 2661-5 (2006)
Article DOI: 10.1021/jm050907d
BindingDB Entry DOI: 10.7270/Q2XS5TZ9 |
More data for this
Ligand-Target Pair | |
Neuropeptide Y receptor type 1
(Homo sapiens (Human)) | BDBM50185369
(CHEMBL408891 | H-[Trp-Arg-Nva-Arg-Tyr]2-NH2)Show SMILES CCC[C@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O |wU:88.92,56.58,wD:99.103,81.85,70.74,33.34,44.45,3.3,18.18,7.14,(1.08,-23.2,;1.08,-21.66,;2.42,-20.89,;2.42,-19.35,;1.08,-18.58,;1.08,-17.04,;2.42,-16.27,;-.25,-16.27,;-1.58,-17.04,;-2.92,-16.27,;-4.25,-17.04,;-5.59,-16.27,;-6.92,-17.04,;-6.92,-18.58,;-8.25,-16.27,;-.25,-14.73,;1.08,-13.96,;2.42,-14.73,;1.08,-12.42,;2.42,-11.65,;-.25,-11.65,;-1.58,-12.42,;-1.74,-13.96,;-3.25,-14.29,;-4.03,-12.96,;-5.54,-12.63,;-6.02,-11.17,;-4.99,-10.02,;-3.48,-10.33,;-2.99,-11.79,;3.75,-18.58,;3.75,-17.04,;5.08,-19.35,;5.08,-20.89,;3.75,-21.66,;3.75,-23.2,;2.42,-23.97,;2.42,-25.51,;1.08,-26.28,;-.25,-25.51,;1.08,-27.82,;6.42,-21.66,;7.75,-20.89,;6.42,-23.2,;7.75,-23.97,;7.75,-25.51,;6.42,-26.28,;5.21,-25.59,;4,-26.3,;4.01,-27.69,;2.67,-28.46,;5.22,-28.39,;6.42,-27.68,;9.09,-23.2,;9.09,-21.66,;10.42,-23.97,;11.75,-23.2,;11.75,-21.66,;13.09,-20.89,;14.49,-21.5,;15.53,-20.35,;14.76,-19.01,;15.23,-17.54,;14.19,-16.39,;12.67,-16.71,;12.2,-18.19,;13.24,-19.34,;13.09,-23.97,;13.09,-25.51,;14.42,-23.2,;15.76,-23.97,;15.76,-25.51,;14.42,-26.28,;14.42,-27.82,;13.09,-28.59,;11.75,-27.82,;11.75,-26.28,;10.42,-28.59,;17.09,-23.2,;17.09,-21.66,;18.42,-23.97,;19.76,-23.2,;21.09,-23.97,;22.43,-23.2,;23.76,-23.97,;19.76,-21.66,;21.09,-20.89,;18.42,-20.89,;18.42,-19.35,;17.09,-18.58,;17.09,-17.04,;15.76,-16.27,;15.76,-14.73,;14.42,-13.96,;13.09,-14.73,;14.42,-12.42,;19.76,-18.58,;21.09,-19.35,;19.76,-17.04,;21.09,-16.27,;22.43,-17.04,;23.76,-16.27,;23.75,-14.86,;24.96,-14.16,;26.17,-14.86,;27.51,-14.09,;26.18,-16.26,;24.97,-16.96,;21.09,-14.73,;22.43,-13.96,;19.76,-13.96,)| Show InChI InChI=1S/C74H107N25O12/c1-3-13-52(92-65(106)54(19-9-31-85-71(77)78)91-62(103)49(75)37-43-39-89-50-17-7-5-15-47(43)50)64(105)95-57(22-12-34-88-74(83)84)68(109)98-59(36-42-25-29-46(101)30-26-42)69(110)99-60(38-44-40-90-51-18-8-6-16-48(44)51)70(111)96-55(20-10-32-86-72(79)80)66(107)93-53(14-4-2)63(104)94-56(21-11-33-87-73(81)82)67(108)97-58(61(76)102)35-41-23-27-45(100)28-24-41/h5-8,15-18,23-30,39-40,49,52-60,89-90,100-101H,3-4,9-14,19-22,31-38,75H2,1-2H3,(H2,76,102)(H,91,103)(H,92,106)(H,93,107)(H,94,104)(H,95,105)(H,96,111)(H,97,108)(H,98,109)(H,99,110)(H4,77,78,85)(H4,79,80,86)(H4,81,82,87)(H4,83,84,88)/t49-,52-,53-,54-,55-,56-,57-,58-,59-,60-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 220 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Cincinnati
Curated by ChEMBL
| Assay Description
Displacement of [125I]NPY from human NPY1 receptor expressed in CHO cells |
J Med Chem 49: 2661-5 (2006)
Article DOI: 10.1021/jm050907d
BindingDB Entry DOI: 10.7270/Q2XS5TZ9 |
More data for this
Ligand-Target Pair | |
Neuropeptide Y receptor type 2
(Homo sapiens (Human)) | BDBM50185368
(CHEMBL2371910 | CHEMBL439884 | Pim[-Trp-Arg-Nva-Ar...)Show SMILES CCC[C@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)CCC[C@H](N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O |wU:111.116,18.18,85.89,42.44,32.35,wD:3.2,74.77,67.71,56.60,7.7,37.38,100.104,(-6.32,-13.79,;-5,-13.01,;-3.66,-13.78,;-2.33,-13,;-2.33,-11.46,;-1,-10.69,;.33,-11.45,;-1,-9.14,;-2.34,-8.38,;-2.35,-6.84,;-3.69,-6.08,;-3.69,-4.53,;-2.36,-3.76,;-2.37,-2.22,;-1.02,-4.52,;.32,-8.36,;.31,-6.82,;-1.03,-6.06,;1.65,-6.05,;2.98,-6.81,;2.98,-8.36,;1.74,-9.26,;2.23,-10.72,;3.77,-10.72,;4.8,-11.86,;6.3,-11.54,;6.78,-10.07,;5.74,-8.93,;4.24,-9.25,;1.64,-4.51,;2.97,-3.73,;4.31,-4.48,;2.96,-2.18,;1.61,-1.43,;4.28,-1.41,;4.27,.14,;5.59,.92,;5.58,2.46,;4.24,3.21,;6.91,3.24,;6.89,4.78,;8.25,2.49,;9.59,3.25,;9.59,4.79,;10.94,5.55,;12.34,4.91,;13.37,6.05,;12.61,7.39,;13.1,8.86,;12.08,10,;10.57,9.7,;10.09,8.23,;11.11,7.08,;10.91,2.47,;10.9,.93,;12.25,3.23,;13.58,2.45,;13.57,.91,;12.23,.15,;12.22,-1.39,;10.88,-2.15,;9.55,-1.37,;8.22,-2.13,;9.56,.17,;14.92,3.21,;14.93,4.75,;16.25,2.43,;17.59,3.19,;18.92,2.41,;18.91,.87,;20.24,.09,;17.6,4.73,;16.27,5.51,;18.94,5.49,;20.26,4.71,;20.25,3.17,;21.58,2.39,;21.57,.85,;22.9,.07,;22.89,-1.47,;21.55,-2.23,;24.22,-2.25,;21.61,5.47,;21.62,7.01,;22.94,4.69,;24.27,5.45,;24.29,6.99,;25.63,7.75,;25.63,9.29,;26.97,10.05,;28.3,9.28,;29.64,10.04,;28.29,7.74,;26.95,6.97,;25.6,4.67,;26.94,5.43,;25.59,3.13,;-.99,-13.76,;.34,-12.99,;-.99,-15.31,;-2.31,-16.08,;-3.65,-15.31,;-4.98,-16.09,;-6.32,-15.32,;-7.65,-16.1,;-8.99,-15.34,;-8.99,-13.79,;-10.31,-16.11,;-2.31,-17.62,;-.97,-18.38,;-3.64,-18.4,;-3.63,-19.94,;-2.3,-20.71,;-2.29,-22.24,;-.95,-23,;-.95,-24.54,;-2.28,-25.32,;-2.27,-26.86,;-3.62,-24.55,;-3.62,-23.02,;-4.96,-20.71,;-4.95,-22.25,;-6.3,-19.95,)| Show InChI InChI=1S/C81H120N28O14/c1-3-14-56(70(116)102-60(24-12-36-96-80(90)91)74(120)106-62(66(84)112)38-44-26-30-48(110)31-27-44)100-72(118)58(22-10-34-94-78(86)87)104-76(122)64(40-46-42-98-54-20-7-5-16-50(46)54)108-68(114)52(82)18-9-19-53(83)69(115)109-65(41-47-43-99-55-21-8-6-17-51(47)55)77(123)105-59(23-11-35-95-79(88)89)73(119)101-57(15-4-2)71(117)103-61(25-13-37-97-81(92)93)75(121)107-63(67(85)113)39-45-28-32-49(111)33-29-45/h5-8,16-17,20-21,26-33,42-43,52-53,56-65,98-99,110-111H,3-4,9-15,18-19,22-25,34-41,82-83H2,1-2H3,(H2,84,112)(H2,85,113)(H,100,118)(H,101,119)(H,102,116)(H,103,117)(H,104,122)(H,105,123)(H,106,120)(H,107,121)(H,108,114)(H,109,115)(H4,86,87,94)(H4,88,89,95)(H4,90,91,96)(H4,92,93,97)/t52?,53?,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 260 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Cincinnati
Curated by ChEMBL
| Assay Description
Displacement of [125I]NPY from human NPY2 receptor expressed in CHO cells |
J Med Chem 49: 2661-5 (2006)
Article DOI: 10.1021/jm050907d
BindingDB Entry DOI: 10.7270/Q2XS5TZ9 |
More data for this
Ligand-Target Pair | |
Neuropeptide Y receptor type 2
(Homo sapiens (Human)) | BDBM50185368
(CHEMBL2371910 | CHEMBL439884 | Pim[-Trp-Arg-Nva-Ar...)Show SMILES CCC[C@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)CCC[C@H](N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O |wU:111.116,18.18,85.89,42.44,32.35,wD:3.2,74.77,67.71,56.60,7.7,37.38,100.104,(-6.32,-13.79,;-5,-13.01,;-3.66,-13.78,;-2.33,-13,;-2.33,-11.46,;-1,-10.69,;.33,-11.45,;-1,-9.14,;-2.34,-8.38,;-2.35,-6.84,;-3.69,-6.08,;-3.69,-4.53,;-2.36,-3.76,;-2.37,-2.22,;-1.02,-4.52,;.32,-8.36,;.31,-6.82,;-1.03,-6.06,;1.65,-6.05,;2.98,-6.81,;2.98,-8.36,;1.74,-9.26,;2.23,-10.72,;3.77,-10.72,;4.8,-11.86,;6.3,-11.54,;6.78,-10.07,;5.74,-8.93,;4.24,-9.25,;1.64,-4.51,;2.97,-3.73,;4.31,-4.48,;2.96,-2.18,;1.61,-1.43,;4.28,-1.41,;4.27,.14,;5.59,.92,;5.58,2.46,;4.24,3.21,;6.91,3.24,;6.89,4.78,;8.25,2.49,;9.59,3.25,;9.59,4.79,;10.94,5.55,;12.34,4.91,;13.37,6.05,;12.61,7.39,;13.1,8.86,;12.08,10,;10.57,9.7,;10.09,8.23,;11.11,7.08,;10.91,2.47,;10.9,.93,;12.25,3.23,;13.58,2.45,;13.57,.91,;12.23,.15,;12.22,-1.39,;10.88,-2.15,;9.55,-1.37,;8.22,-2.13,;9.56,.17,;14.92,3.21,;14.93,4.75,;16.25,2.43,;17.59,3.19,;18.92,2.41,;18.91,.87,;20.24,.09,;17.6,4.73,;16.27,5.51,;18.94,5.49,;20.26,4.71,;20.25,3.17,;21.58,2.39,;21.57,.85,;22.9,.07,;22.89,-1.47,;21.55,-2.23,;24.22,-2.25,;21.61,5.47,;21.62,7.01,;22.94,4.69,;24.27,5.45,;24.29,6.99,;25.63,7.75,;25.63,9.29,;26.97,10.05,;28.3,9.28,;29.64,10.04,;28.29,7.74,;26.95,6.97,;25.6,4.67,;26.94,5.43,;25.59,3.13,;-.99,-13.76,;.34,-12.99,;-.99,-15.31,;-2.31,-16.08,;-3.65,-15.31,;-4.98,-16.09,;-6.32,-15.32,;-7.65,-16.1,;-8.99,-15.34,;-8.99,-13.79,;-10.31,-16.11,;-2.31,-17.62,;-.97,-18.38,;-3.64,-18.4,;-3.63,-19.94,;-2.3,-20.71,;-2.29,-22.24,;-.95,-23,;-.95,-24.54,;-2.28,-25.32,;-2.27,-26.86,;-3.62,-24.55,;-3.62,-23.02,;-4.96,-20.71,;-4.95,-22.25,;-6.3,-19.95,)| Show InChI InChI=1S/C81H120N28O14/c1-3-14-56(70(116)102-60(24-12-36-96-80(90)91)74(120)106-62(66(84)112)38-44-26-30-48(110)31-27-44)100-72(118)58(22-10-34-94-78(86)87)104-76(122)64(40-46-42-98-54-20-7-5-16-50(46)54)108-68(114)52(82)18-9-19-53(83)69(115)109-65(41-47-43-99-55-21-8-6-17-51(47)55)77(123)105-59(23-11-35-95-79(88)89)73(119)101-57(15-4-2)71(117)103-61(25-13-37-97-81(92)93)75(121)107-63(67(85)113)39-45-28-32-49(111)33-29-45/h5-8,16-17,20-21,26-33,42-43,52-53,56-65,98-99,110-111H,3-4,9-15,18-19,22-25,34-41,82-83H2,1-2H3,(H2,84,112)(H2,85,113)(H,100,118)(H,101,119)(H,102,116)(H,103,117)(H,104,122)(H,105,123)(H,106,120)(H,107,121)(H,108,114)(H,109,115)(H4,86,87,94)(H4,88,89,95)(H4,90,91,96)(H4,92,93,97)/t52?,53?,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 260 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Cincinnati
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against Factor Xa |
J Med Chem 49: 2661-5 (2006)
Article DOI: 10.1021/jm050907d
BindingDB Entry DOI: 10.7270/Q2XS5TZ9 |
More data for this
Ligand-Target Pair | |
Neuropeptide Y receptor type 1
(Homo sapiens (Human)) | BDBM50049744
(CHEMBL438548 | NPY-analogs | [Cys-Trp-Arg-Nva-Arg-...)Show SMILES CCC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)CSSC[C@H](N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCC)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O Show InChI InChI=1S/C80H118N28O14S2/c1-3-13-55(69(115)101-59(21-11-33-95-79(89)90)73(119)105-61(65(83)111)35-43-23-27-47(109)28-24-43)99-71(117)57(19-9-31-93-77(85)86)103-75(121)63(37-45-39-97-53-17-7-5-15-49(45)53)107-67(113)51(81)41-123-124-42-52(82)68(114)108-64(38-46-40-98-54-18-8-6-16-50(46)54)76(122)104-58(20-10-32-94-78(87)88)72(118)100-56(14-4-2)70(116)102-60(22-12-34-96-80(91)92)74(120)106-62(66(84)112)36-44-25-29-48(110)30-26-44/h5-8,15-18,23-30,39-40,51-52,55-64,97-98,109-110H,3-4,9-14,19-22,31-38,41-42,81-82H2,1-2H3,(H2,83,111)(H2,84,112)(H,99,117)(H,100,118)(H,101,115)(H,102,116)(H,103,121)(H,104,122)(H,105,119)(H,106,120)(H,107,113)(H,108,114)(H4,85,86,93)(H4,87,88,94)(H4,89,90,95)(H4,91,92,96)/t51-,52-,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 340 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Cincinnati
Curated by ChEMBL
| Assay Description
Displacement of [125I]NPY from human NPY1 receptor expressed in CHO cells |
J Med Chem 49: 2661-5 (2006)
Article DOI: 10.1021/jm050907d
BindingDB Entry DOI: 10.7270/Q2XS5TZ9 |
More data for this
Ligand-Target Pair | |
Neuropeptide Y receptor type 2
(Homo sapiens (Human)) | BDBM50185365
(Adp[-Trp-Arg-Nva-Arg-Tyr-NH2]2 | CHEMBL2371909 | C...)Show SMILES CCC[C@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)CC[C@H](N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O |wU:99.104,3.3,18.18,73.77,66.69,41.43,wD:110.115,7.7,84.88,55.59,32.35,36.39,(.45,-20.37,;.5,-18.83,;-.81,-18.01,;-.76,-16.47,;.6,-15.75,;1.91,-16.56,;1.86,-18.1,;3.26,-15.83,;3.31,-14.29,;2.01,-13.48,;2.06,-11.94,;.74,-11.13,;.79,-9.59,;2.16,-8.86,;-.51,-8.78,;4.57,-16.65,;5.93,-15.92,;5.98,-14.38,;7.24,-16.73,;7.19,-18.27,;5.83,-19,;4.44,-18.35,;3.38,-19.47,;4.11,-20.83,;3.6,-22.29,;4.61,-23.46,;6.13,-23.19,;6.64,-21.73,;5.64,-20.55,;8.6,-16,;8.56,-14.47,;7.22,-13.75,;9.86,-13.67,;11.2,-14.39,;9.82,-12.14,;11.11,-11.35,;11.07,-9.82,;9.73,-9.1,;12.37,-9.03,;12.33,-7.5,;13.71,-9.75,;15.05,-8.98,;15.05,-7.44,;16.38,-6.67,;17.79,-7.28,;18.82,-6.12,;18.04,-4.78,;18.5,-3.31,;17.46,-2.17,;15.95,-2.49,;15.48,-3.97,;16.52,-5.12,;16.38,-9.75,;16.38,-11.29,;17.72,-8.98,;19.05,-9.75,;19.05,-11.29,;20.38,-12.06,;20.38,-13.6,;21.72,-14.37,;21.72,-15.91,;20.38,-16.68,;23.05,-16.68,;20.38,-8.98,;20.38,-7.44,;21.72,-9.75,;23.05,-8.98,;23.05,-7.44,;21.72,-6.67,;21.72,-5.13,;24.39,-9.75,;24.39,-11.29,;25.72,-8.98,;25.72,-7.44,;24.39,-6.67,;24.39,-5.13,;23.05,-4.36,;23.05,-2.82,;21.72,-2.05,;20.38,-2.82,;21.72,-.51,;27.05,-6.67,;28.39,-7.44,;27.05,-5.13,;28.39,-4.36,;29.72,-5.13,;31.05,-4.36,;31.05,-2.96,;32.27,-2.26,;33.47,-2.96,;34.81,-2.19,;33.47,-4.36,;32.26,-5.06,;28.39,-2.82,;29.72,-2.05,;27.05,-2.05,;-2.07,-15.66,;-2.02,-14.12,;-3.43,-16.39,;-3.48,-17.93,;-2.17,-18.74,;-2.22,-20.28,;-.91,-21.09,;-.96,-22.63,;.35,-23.44,;1.71,-22.72,;.3,-24.98,;-4.83,-18.66,;-6.14,-17.84,;-4.88,-20.19,;-6.24,-20.92,;-7.55,-20.11,;-8.91,-20.84,;-8.95,-22.24,;-10.19,-22.9,;-11.37,-22.16,;-12.74,-22.89,;-11.34,-20.76,;-10.1,-20.1,;-6.29,-22.46,;-7.65,-23.19,;-4.98,-23.27,)| Show InChI InChI=1S/C80H118N28O14/c1-3-13-55(69(115)101-59(21-11-35-95-79(89)90)73(119)105-61(65(83)111)37-43-23-27-47(109)28-24-43)99-71(117)57(19-9-33-93-77(85)86)103-75(121)63(39-45-41-97-53-17-7-5-15-49(45)53)107-67(113)51(81)31-32-52(82)68(114)108-64(40-46-42-98-54-18-8-6-16-50(46)54)76(122)104-58(20-10-34-94-78(87)88)72(118)100-56(14-4-2)70(116)102-60(22-12-36-96-80(91)92)74(120)106-62(66(84)112)38-44-25-29-48(110)30-26-44/h5-8,15-18,23-30,41-42,51-52,55-64,97-98,109-110H,3-4,9-14,19-22,31-40,81-82H2,1-2H3,(H2,83,111)(H2,84,112)(H,99,117)(H,100,118)(H,101,115)(H,102,116)(H,103,121)(H,104,122)(H,105,119)(H,106,120)(H,107,113)(H,108,114)(H4,85,86,93)(H4,87,88,94)(H4,89,90,95)(H4,91,92,96)/t51?,52?,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 360 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Cincinnati
Curated by ChEMBL
| Assay Description
Displacement of [125I]NPY from human NPY2 receptor expressed in CHO cells |
J Med Chem 49: 2661-5 (2006)
Article DOI: 10.1021/jm050907d
BindingDB Entry DOI: 10.7270/Q2XS5TZ9 |
More data for this
Ligand-Target Pair | |
Neuropeptide Y receptor type 2
(Homo sapiens (Human)) | BDBM50185366
(CHEMBL2371911 | CHEMBL436499 | Sub[-Trp-Arg-Nva-Ar...)Show SMILES CCC[C@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)CCCC[C@H](N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O |wU:3.3,18.18,75.79,68.71,43.45,101.106,32.35,wD:112.117,7.7,86.90,57.61,38.39,(13.8,-37.49,;13.73,-39.03,;15.03,-39.86,;14.95,-41.4,;13.59,-42.11,;12.29,-41.28,;12.35,-39.74,;10.92,-41.99,;10.85,-43.53,;12.15,-44.36,;12.08,-45.89,;13.39,-46.72,;13.31,-48.26,;11.94,-48.97,;14.61,-49.09,;9.62,-41.16,;8.26,-41.87,;8.19,-43.41,;6.96,-41.04,;7.03,-39.5,;8.39,-38.79,;9.78,-39.46,;10.85,-38.35,;10.14,-36.98,;10.66,-35.53,;9.67,-34.34,;8.15,-34.59,;7.62,-36.04,;8.6,-37.24,;5.58,-41.75,;4.22,-41.06,;4.14,-39.53,;2.94,-41.89,;3.02,-43.41,;1.58,-41.19,;1.51,-39.66,;.15,-38.97,;.07,-37.45,;-1.29,-36.75,;-2.57,-37.58,;-1.37,-35.23,;-.09,-34.4,;-2.73,-34.54,;-2.73,-32.99,;-4.07,-32.23,;-4.07,-30.69,;-2.85,-29.76,;-3.35,-28.3,;-4.89,-28.31,;-5.94,-27.17,;-7.45,-27.52,;-7.91,-28.99,;-6.87,-30.12,;-5.36,-29.79,;-1.4,-32.22,;-.06,-32.98,;-1.41,-30.68,;-.08,-29.9,;1.26,-30.66,;2.59,-29.89,;3.93,-30.65,;5.26,-29.87,;6.6,-30.64,;6.61,-32.18,;7.93,-29.87,;-.08,-28.36,;-1.42,-27.6,;1.25,-27.58,;1.24,-26.05,;-.1,-25.27,;-1.43,-26.05,;-2.76,-25.29,;2.57,-25.26,;3.91,-26.03,;2.57,-23.72,;1.23,-22.96,;-.1,-23.73,;-1.44,-22.97,;-2.77,-23.75,;-4.11,-22.98,;-5.43,-23.77,;-5.43,-25.3,;-6.78,-22.99,;1.22,-21.42,;2.55,-20.64,;-.11,-20.67,;-.12,-19.11,;1.22,-18.34,;1.21,-16.79,;-.01,-16.09,;-.02,-14.7,;1.19,-14,;1.19,-12.45,;2.41,-14.68,;2.41,-16.09,;-1.46,-18.34,;-1.46,-16.79,;-2.79,-19.13,;16.26,-42.22,;16.19,-43.76,;17.62,-41.51,;17.69,-39.97,;16.39,-39.15,;16.46,-37.61,;15.16,-36.78,;15.23,-35.24,;13.93,-34.41,;12.56,-35.12,;14,-32.87,;19.06,-39.26,;20.36,-40.09,;19.12,-37.72,;20.5,-37.01,;21.79,-37.84,;23.16,-37.14,;23.22,-35.74,;24.47,-35.09,;25.64,-35.85,;27.01,-35.13,;25.59,-37.25,;24.34,-37.89,;20.57,-35.48,;21.93,-34.76,;19.26,-34.65,)| Show InChI InChI=1S/C82H122N28O14/c1-3-15-57(71(117)103-61(25-13-37-97-81(91)92)75(121)107-63(67(85)113)39-45-27-31-49(111)32-28-45)101-73(119)59(23-11-35-95-79(87)88)105-77(123)65(41-47-43-99-55-21-9-5-17-51(47)55)109-69(115)53(83)19-7-8-20-54(84)70(116)110-66(42-48-44-100-56-22-10-6-18-52(48)56)78(124)106-60(24-12-36-96-80(89)90)74(120)102-58(16-4-2)72(118)104-62(26-14-38-98-82(93)94)76(122)108-64(68(86)114)40-46-29-33-50(112)34-30-46/h5-6,9-10,17-18,21-22,27-34,43-44,53-54,57-66,99-100,111-112H,3-4,7-8,11-16,19-20,23-26,35-42,83-84H2,1-2H3,(H2,85,113)(H2,86,114)(H,101,119)(H,102,120)(H,103,117)(H,104,118)(H,105,123)(H,106,124)(H,107,121)(H,108,122)(H,109,115)(H,110,116)(H4,87,88,95)(H4,89,90,96)(H4,91,92,97)(H4,93,94,98)/t53?,54?,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 390 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Cincinnati
Curated by ChEMBL
| Assay Description
Displacement of [125I]NPY from human NPY2 receptor expressed in CHO cells |
J Med Chem 49: 2661-5 (2006)
Article DOI: 10.1021/jm050907d
BindingDB Entry DOI: 10.7270/Q2XS5TZ9 |
More data for this
Ligand-Target Pair | |
Neuropeptide Y receptor type 5
(Homo sapiens (Human)) | BDBM50099199
(CHEMBL413426 | Ile-Asn-Pro-Cys-Tyr-Arg-Leu-Arg-Tyr...)Show SMILES CC[C@H](C)[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@H](CSSC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@@H](N)[C@@H](C)CC)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)OC)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)OC Show InChI InChI=1S/C110H170N32O26S2/c1-11-59(7)87(113)101(161)135-77(53-85(111)147)103(163)141-45-17-23-83(141)99(159)139-81(97(157)133-75(49-61-25-33-65(143)34-26-61)95(155)129-69(19-13-41-123-107(115)116)89(149)131-73(47-57(3)4)93(153)127-71(21-15-43-125-109(119)120)91(151)137-79(105(165)167-9)51-63-29-37-67(145)38-30-63)55-169-170-56-82(140-100(160)84-24-18-46-142(84)104(164)78(54-86(112)148)136-102(162)88(114)60(8)12-2)98(158)134-76(50-62-27-35-66(144)36-28-62)96(156)130-70(20-14-42-124-108(117)118)90(150)132-74(48-58(5)6)94(154)128-72(22-16-44-126-110(121)122)92(152)138-80(106(166)168-10)52-64-31-39-68(146)40-32-64/h25-40,57-60,69-84,87-88,143-146H,11-24,41-56,113-114H2,1-10H3,(H2,111,147)(H2,112,148)(H,127,153)(H,128,154)(H,129,155)(H,130,156)(H,131,149)(H,132,150)(H,133,157)(H,134,158)(H,135,161)(H,136,162)(H,137,151)(H,138,152)(H,139,159)(H,140,160)(H4,115,116,123)(H4,117,118,124)(H4,119,120,125)(H4,121,122,126)/t59-,60-,69-,70-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82+,83-,84-,87-,88-/m0/s1 | KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| PubMed
| 464 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Cincinnati and VA Medical Centers
Curated by ChEMBL
| Assay Description
Affinity for cloned Y5 receptor using [125I]-PYY as radioligand |
J Med Chem 44: 1479-82 (2001)
BindingDB Entry DOI: 10.7270/Q2RJ4HRJ |
More data for this
Ligand-Target Pair | |
Neuropeptide Y receptor type 2
(Homo sapiens (Human)) | BDBM50185366
(CHEMBL2371911 | CHEMBL436499 | Sub[-Trp-Arg-Nva-Ar...)Show SMILES CCC[C@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)CCCC[C@H](N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O |wU:3.3,18.18,75.79,68.71,43.45,101.106,32.35,wD:112.117,7.7,86.90,57.61,38.39,(13.8,-37.49,;13.73,-39.03,;15.03,-39.86,;14.95,-41.4,;13.59,-42.11,;12.29,-41.28,;12.35,-39.74,;10.92,-41.99,;10.85,-43.53,;12.15,-44.36,;12.08,-45.89,;13.39,-46.72,;13.31,-48.26,;11.94,-48.97,;14.61,-49.09,;9.62,-41.16,;8.26,-41.87,;8.19,-43.41,;6.96,-41.04,;7.03,-39.5,;8.39,-38.79,;9.78,-39.46,;10.85,-38.35,;10.14,-36.98,;10.66,-35.53,;9.67,-34.34,;8.15,-34.59,;7.62,-36.04,;8.6,-37.24,;5.58,-41.75,;4.22,-41.06,;4.14,-39.53,;2.94,-41.89,;3.02,-43.41,;1.58,-41.19,;1.51,-39.66,;.15,-38.97,;.07,-37.45,;-1.29,-36.75,;-2.57,-37.58,;-1.37,-35.23,;-.09,-34.4,;-2.73,-34.54,;-2.73,-32.99,;-4.07,-32.23,;-4.07,-30.69,;-2.85,-29.76,;-3.35,-28.3,;-4.89,-28.31,;-5.94,-27.17,;-7.45,-27.52,;-7.91,-28.99,;-6.87,-30.12,;-5.36,-29.79,;-1.4,-32.22,;-.06,-32.98,;-1.41,-30.68,;-.08,-29.9,;1.26,-30.66,;2.59,-29.89,;3.93,-30.65,;5.26,-29.87,;6.6,-30.64,;6.61,-32.18,;7.93,-29.87,;-.08,-28.36,;-1.42,-27.6,;1.25,-27.58,;1.24,-26.05,;-.1,-25.27,;-1.43,-26.05,;-2.76,-25.29,;2.57,-25.26,;3.91,-26.03,;2.57,-23.72,;1.23,-22.96,;-.1,-23.73,;-1.44,-22.97,;-2.77,-23.75,;-4.11,-22.98,;-5.43,-23.77,;-5.43,-25.3,;-6.78,-22.99,;1.22,-21.42,;2.55,-20.64,;-.11,-20.67,;-.12,-19.11,;1.22,-18.34,;1.21,-16.79,;-.01,-16.09,;-.02,-14.7,;1.19,-14,;1.19,-12.45,;2.41,-14.68,;2.41,-16.09,;-1.46,-18.34,;-1.46,-16.79,;-2.79,-19.13,;16.26,-42.22,;16.19,-43.76,;17.62,-41.51,;17.69,-39.97,;16.39,-39.15,;16.46,-37.61,;15.16,-36.78,;15.23,-35.24,;13.93,-34.41,;12.56,-35.12,;14,-32.87,;19.06,-39.26,;20.36,-40.09,;19.12,-37.72,;20.5,-37.01,;21.79,-37.84,;23.16,-37.14,;23.22,-35.74,;24.47,-35.09,;25.64,-35.85,;27.01,-35.13,;25.59,-37.25,;24.34,-37.89,;20.57,-35.48,;21.93,-34.76,;19.26,-34.65,)| Show InChI InChI=1S/C82H122N28O14/c1-3-15-57(71(117)103-61(25-13-37-97-81(91)92)75(121)107-63(67(85)113)39-45-27-31-49(111)32-28-45)101-73(119)59(23-11-35-95-79(87)88)105-77(123)65(41-47-43-99-55-21-9-5-17-51(47)55)109-69(115)53(83)19-7-8-20-54(84)70(116)110-66(42-48-44-100-56-22-10-6-18-52(48)56)78(124)106-60(24-12-36-96-80(89)90)74(120)102-58(16-4-2)72(118)104-62(26-14-38-98-82(93)94)76(122)108-64(68(86)114)40-46-29-33-50(112)34-30-46/h5-6,9-10,17-18,21-22,27-34,43-44,53-54,57-66,99-100,111-112H,3-4,7-8,11-16,19-20,23-26,35-42,83-84H2,1-2H3,(H2,85,113)(H2,86,114)(H,101,119)(H,102,120)(H,103,117)(H,104,118)(H,105,123)(H,106,124)(H,107,121)(H,108,122)(H,109,115)(H,110,116)(H4,87,88,95)(H4,89,90,96)(H4,91,92,97)(H4,93,94,98)/t53?,54?,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 530 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Cincinnati
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against Factor Xa |
J Med Chem 49: 2661-5 (2006)
Article DOI: 10.1021/jm050907d
BindingDB Entry DOI: 10.7270/Q2XS5TZ9 |
More data for this
Ligand-Target Pair | |
Neuropeptide Y receptor type 2
(Homo sapiens (Human)) | BDBM50099200
(CHEMBL410166 | Ile-Glu-Pro-Dpr-Tyr-Arg-Leu-Arg-(CH...)Show SMILES CC[C@H](C)[C@H](N)C(=O)N[C@@H]1CCC(=O)NC[C@@H](NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCC(=O)NC[C@H](NC(=O)[C@@H]2CCCN2C1=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)CN[C@@H](Cc1ccc(O)cc1)C(N)=O)NC(=O)[C@@H](N)[C@@H](C)CC)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)CN[C@@H](Cc1ccc(O)cc1)C(N)=O Show InChI InChI=1S/C110H174N34O22/c1-9-61(7)89(111)103(163)135-75-39-41-87(149)129-57-83(99(159)139-81(53-65-27-35-71(147)36-28-65)97(157)133-73(19-13-45-125-109(119)120)93(153)137-79(49-59(3)4)95(155)131-67(17-11-43-123-107(115)116)55-127-77(91(113)151)51-63-23-31-69(145)32-24-63)142-102(162)86-22-16-48-144(86)106(166)76(136-104(164)90(112)62(8)10-2)40-42-88(150)130-58-84(141-101(161)85-21-15-47-143(85)105(75)165)100(160)140-82(54-66-29-37-72(148)38-30-66)98(158)134-74(20-14-46-126-110(121)122)94(154)138-80(50-60(5)6)96(156)132-68(18-12-44-124-108(117)118)56-128-78(92(114)152)52-64-25-33-70(146)34-26-64/h23-38,59-62,67-68,73-86,89-90,127-128,145-148H,9-22,39-58,111-112H2,1-8H3,(H2,113,151)(H2,114,152)(H,129,149)(H,130,150)(H,131,155)(H,132,156)(H,133,157)(H,134,158)(H,135,163)(H,136,164)(H,137,153)(H,138,154)(H,139,159)(H,140,160)(H,141,161)(H,142,162)(H4,115,116,123)(H4,117,118,124)(H4,119,120,125)(H4,121,122,126)/t61-,62-,67-,68-,73-,74-,75-,76+,77-,78-,79-,80-,81-,82-,83-,84+,85-,86-,89-,90-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 624 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Cincinnati and VA Medical Centers
Curated by ChEMBL
| Assay Description
Affinity for cloned Y2 receptor using [125I]-PYY as radioligand |
J Med Chem 44: 1479-82 (2001)
BindingDB Entry DOI: 10.7270/Q2RJ4HRJ |
More data for this
Ligand-Target Pair | |
Neuropeptide Y receptor type 5
(Homo sapiens (Human)) | BDBM50099197
(CHEMBL411117 | Ile-Glu-Pro-Dpr-Tyr-Arg-Leu-Arg-Tyr...)Show SMILES CC[C@H](C)[C@H](N)C(=O)N[C@@H]1CCC(=O)NC[C@@H](NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCC(=O)NC[C@H](NC(=O)[C@@H]2CCCN2C1=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)OC)NC(=O)[C@@H](N)[C@@H](C)CC)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)OC Show InChI InChI=1S/C112H172N32O26/c1-11-61(7)89(113)103(163)133-75-41-43-87(149)127-57-83(99(159)137-79(53-63-25-33-67(145)34-26-63)97(157)131-71(19-13-45-123-109(115)116)91(151)135-77(51-59(3)4)95(155)129-73(21-15-47-125-111(119)120)93(153)139-81(107(167)169-9)55-65-29-37-69(147)38-30-65)142-102(162)86-24-18-50-144(86)106(166)76(134-104(164)90(114)62(8)12-2)42-44-88(150)128-58-84(141-101(161)85-23-17-49-143(85)105(75)165)100(160)138-80(54-64-27-35-68(146)36-28-64)98(158)132-72(20-14-46-124-110(117)118)92(152)136-78(52-60(5)6)96(156)130-74(22-16-48-126-112(121)122)94(154)140-82(108(168)170-10)56-66-31-39-70(148)40-32-66/h25-40,59-62,71-86,89-90,145-148H,11-24,41-58,113-114H2,1-10H3,(H,127,149)(H,128,150)(H,129,155)(H,130,156)(H,131,157)(H,132,158)(H,133,163)(H,134,164)(H,135,151)(H,136,152)(H,137,159)(H,138,160)(H,139,153)(H,140,154)(H,141,161)(H,142,162)(H4,115,116,123)(H4,117,118,124)(H4,119,120,125)(H4,121,122,126)/t61-,62-,71-,72-,73-,74-,75-,76+,77-,78-,79-,80-,81-,82-,83-,84+,85-,86-,89-,90-/m0/s1 | KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 662 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Cincinnati and VA Medical Centers
Curated by ChEMBL
| Assay Description
Affinity for cloned Y5 receptor using [125I]-PYY as radioligand |
J Med Chem 44: 1479-82 (2001)
BindingDB Entry DOI: 10.7270/Q2RJ4HRJ |
More data for this
Ligand-Target Pair | |
Neuropeptide Y receptor type 2
(Homo sapiens (Human)) | BDBM50099201
(CHEMBL413455 | Ile-Asn-Pro-Cys-Tyr-Arg-Leu-Arg-(CH...)Show SMILES CC[C@H](C)[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@H](CSSC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@@H](N)[C@@H](C)CC)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)CN[C@@H](Cc1ccc(O)cc1)C(N)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)CN[C@@H](Cc1ccc(O)cc1)C(N)=O Show InChI InChI=1S/C108H172N34O22S2/c1-9-59(7)87(111)101(161)137-79(51-85(109)147)103(163)141-43-15-21-83(141)99(159)139-81(97(157)135-77(49-63-27-35-69(145)36-28-63)95(155)131-71(19-13-41-125-107(119)120)91(151)133-75(45-57(3)4)93(153)129-65(17-11-39-123-105(115)116)53-127-73(89(113)149)47-61-23-31-67(143)32-24-61)55-165-166-56-82(140-100(160)84-22-16-44-142(84)104(164)80(52-86(110)148)138-102(162)88(112)60(8)10-2)98(158)136-78(50-64-29-37-70(146)38-30-64)96(156)132-72(20-14-42-126-108(121)122)92(152)134-76(46-58(5)6)94(154)130-66(18-12-40-124-106(117)118)54-128-74(90(114)150)48-62-25-33-68(144)34-26-62/h23-38,57-60,65-66,71-84,87-88,127-128,143-146H,9-22,39-56,111-112H2,1-8H3,(H2,109,147)(H2,110,148)(H2,113,149)(H2,114,150)(H,129,153)(H,130,154)(H,131,155)(H,132,156)(H,133,151)(H,134,152)(H,135,157)(H,136,158)(H,137,161)(H,138,162)(H,139,159)(H,140,160)(H4,115,116,123)(H4,117,118,124)(H4,119,120,125)(H4,121,122,126)/t59-,60-,65-,66-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82+,83-,84-,87-,88-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| PubMed
| 822 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Cincinnati and VA Medical Centers
Curated by ChEMBL
| Assay Description
Affinity for cloned Y2 receptor using [125I]-PYY as radioligand |
J Med Chem 44: 1479-82 (2001)
BindingDB Entry DOI: 10.7270/Q2RJ4HRJ |
More data for this
Ligand-Target Pair | |
Neuropeptide Y receptor type 2
(Homo sapiens (Human)) | BDBM50185364
(CHEMBL2371908 | CHEMBL415187 | Sub[-Tyr-Arg-Leu-Ar...)Show SMILES [#6]-[#6](-[#6])-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-[#6]-[#6]-[#6]-[#6@H](-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccc(-[#8])cc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccc(-[#8])cc1)-[#6](-[#8])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccc(-[#8])cc1)-[#6](-[#8])=O Show InChI InChI=1S/C80H122N24O18/c1-43(2)37-59(71(115)95-57(15-9-35-93-79(87)88)69(113)103-63(75(119)120)41-47-21-29-51(107)30-22-47)101-67(111)55(13-7-33-91-77(83)84)97-73(117)61(39-45-17-25-49(105)26-18-45)99-65(109)53(81)11-5-6-12-54(82)66(110)100-62(40-46-19-27-50(106)28-20-46)74(118)98-56(14-8-34-92-78(85)86)68(112)102-60(38-44(3)4)72(116)96-58(16-10-36-94-80(89)90)70(114)104-64(76(121)122)42-48-23-31-52(108)32-24-48/h17-32,43-44,53-64,105-108H,5-16,33-42,81-82H2,1-4H3,(H,95,115)(H,96,116)(H,97,117)(H,98,118)(H,99,109)(H,100,110)(H,101,111)(H,102,112)(H,103,113)(H,104,114)(H,119,120)(H,121,122)(H4,83,84,91)(H4,85,86,92)(H4,87,88,93)(H4,89,90,94)/t53?,54?,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 890 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Cincinnati
Curated by ChEMBL
| Assay Description
Displacement of [125I]NPY from human NPY2 receptor expressed in CHO cells |
J Med Chem 49: 2661-5 (2006)
Article DOI: 10.1021/jm050907d
BindingDB Entry DOI: 10.7270/Q2XS5TZ9 |
More data for this
Ligand-Target Pair | |
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