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Compile Data Set for Download or QSAR

Found 96 hits Enz. Inhib. hit(s) with all data for entry = 50043497   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Neuropeptide Y receptor type 1


(Homo sapiens (Human))
BDBM50015490
PNG
(CHEMBL438945 | H-YPSKPDNPGEDAPAEDMARYYSALRHYINLITR...)
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](CCSC)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]([C@@H](C)CC)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O
Show InChI InChI=1S/C189H285N55O57S/c1-15-93(7)148(179(295)234-128(81-140(193)254)168(284)226-123(74-92(5)6)171(287)239-149(94(8)16-2)180(296)240-150(99(13)247)181(297)222-115(31-22-67-208-189(202)203)156(272)220-117(56-59-139(192)253)161(277)218-113(29-20-65-206-187(198)199)157(273)224-121(151(195)267)76-101-38-48-107(249)49-39-101)238-172(288)126(79-104-44-54-110(252)55-45-104)229-167(283)127(80-105-86-204-90-210-105)230-159(275)114(30-21-66-207-188(200)201)219-164(280)122(73-91(3)4)225-154(270)96(10)212-173(289)133(88-245)236-166(282)125(78-103-42-52-109(251)53-43-103)228-165(281)124(77-102-40-50-108(250)51-41-102)227-158(274)112(28-19-64-205-186(196)197)216-152(268)95(9)211-155(271)119(62-72-302-14)221-169(285)130(84-146(263)264)232-162(278)118(58-61-144(259)260)217-153(269)97(11)213-176(292)136-33-24-68-241(136)182(298)98(12)214-163(279)129(83-145(261)262)231-160(276)116(57-60-143(257)258)215-142(256)87-209-175(291)135-32-23-70-243(135)185(301)132(82-141(194)255)235-170(286)131(85-147(265)266)233-177(293)138-35-26-71-244(138)184(300)120(27-17-18-63-190)223-174(290)134(89-246)237-178(294)137-34-25-69-242(137)183(299)111(191)75-100-36-46-106(248)47-37-100/h36-55,86,90-99,111-138,148-150,245-252H,15-35,56-85,87-89,190-191H2,1-14H3,(H2,192,253)(H2,193,254)(H2,194,255)(H2,195,267)(H,204,210)(H,209,291)(H,211,271)(H,212,289)(H,213,292)(H,214,279)(H,215,256)(H,216,268)(H,217,269)(H,218,277)(H,219,280)(H,220,272)(H,221,285)(H,222,297)(H,223,290)(H,224,273)(H,225,270)(H,226,284)(H,227,274)(H,228,281)(H,229,283)(H,230,275)(H,231,276)(H,232,278)(H,233,293)(H,234,295)(H,235,286)(H,236,282)(H,237,294)(H,238,288)(H,239,287)(H,240,296)(H,257,258)(H,259,260)(H,261,262)(H,263,264)(H,265,266)(H4,196,197,205)(H4,198,199,206)(H4,200,201,207)(H4,202,203,208)/t93-,94-,95-,96-,97-,98-,99+,111-,112-,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-,148-,149-,150-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.5n/an/an/an/an/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Displacement of Cy5-pNPY from human Y1 receptor expressed in HEL cells after 90 to 120 mins by flow cytometry


J Med Chem 56: 8422-31 (2013)


Article DOI: 10.1021/jm4008505
BindingDB Entry DOI: 10.7270/Q25X2BC9
More data for this
Ligand-Target Pair
PPYR1


(Homo sapiens (Human))
BDBM50441965
PNG
(CHEMBL2440192)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCSC)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)N)C(C)C)[C@@H](C)O)[C@@H](C)O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H](N)Cc1ccc(O)cc1
Show InChI InChI=1S/C184H287N53O53S2/c1-20-92(10)144(174(284)218-116(33-24-68-202-184(197)198)177(287)235-71-27-36-130(235)169(279)215-110(32-23-67-201-183(195)196)158(268)228-133(186)82-103-45-53-107(243)54-46-103)230-166(276)120(78-90(6)7)220-157(267)115(64-75-292-19)214-163(273)124(84-137(190)247)226-175(285)145(98(16)238)231-167(277)122(80-101-41-49-105(241)50-42-101)223-153(263)109(31-22-66-200-182(193)194)210-152(262)108(30-21-65-199-181(191)192)211-161(271)118(76-88(2)3)221-165(275)126(86-142(255)256)219-149(259)95(13)204-147(257)94(12)206-159(269)121(79-100-39-47-104(240)48-40-100)222-156(266)111(55-59-134(187)244)209-148(258)96(14)205-151(261)114(63-74-291-18)213-154(264)112(56-60-135(188)245)212-155(265)113(57-61-139(249)250)216-170(280)131-37-29-73-237(131)180(290)146(99(17)239)232-150(260)97(15)207-160(270)123(83-136(189)246)224-164(274)125(85-141(253)254)208-138(248)87-203-168(278)128-34-25-70-234(128)179(289)127(81-102-43-51-106(242)52-44-102)227-173(283)143(91(8)9)229-172(282)132-38-28-72-236(132)178(288)117(58-62-140(251)252)217-162(272)119(77-89(4)5)225-171(281)129-35-26-69-233(129)176(286)93(11)185/h39-54,88-99,108-133,143-146,238-243H,20-38,55-87,185-186H2,1-19H3,(H2,187,244)(H2,188,245)(H2,189,246)(H2,190,247)(H,203,278)(H,204,257)(H,205,261)(H,206,269)(H,207,270)(H,208,248)(H,209,258)(H,210,262)(H,211,271)(H,212,265)(H,213,264)(H,214,273)(H,215,279)(H,216,280)(H,217,272)(H,218,284)(H,219,259)(H,220,267)(H,221,275)(H,222,266)(H,223,263)(H,224,274)(H,225,281)(H,226,285)(H,227,283)(H,228,268)(H,229,282)(H,230,276)(H,231,277)(H,232,260)(H,249,250)(H,251,252)(H,253,254)(H,255,256)(H4,191,192,199)(H4,193,194,200)(H4,195,196,201)(H4,197,198,202)/t92-,93-,94-,95-,96-,97-,98+,99+,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,143-,144-,145-,146-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.530n/an/an/an/an/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Binding affinity to human Y4 receptor


J Med Chem 56: 8422-31 (2013)


Article DOI: 10.1021/jm4008505
BindingDB Entry DOI: 10.7270/Q25X2BC9
More data for this
Ligand-Target Pair
PPYR1


(Homo sapiens (Human))
BDBM50441964
PNG
(CHEMBL2440193)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCN=C(N)N)NC(C)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H]1C[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H]2C[C@H](C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc3ccc(O)cc3)C(N)=O)C2(C)C)C1(C)C
Show InChI InChI=1S/C80H127N25O16/c1-12-41(5)62(104-73(119)56(33-45-22-26-48(108)27-23-45)99-70(116)57(34-46-38-89-39-93-46)100-67(113)51(94-43(7)106)17-14-28-90-76(83)84)74(120)101-58(37-61(81)109)71(117)98-55(31-40(3)4)72(118)105-63(42(6)13-2)75(121)103-60-36-50(80(60,10)11)66(112)96-53(19-16-30-92-78(87)88)69(115)102-59-35-49(79(59,8)9)65(111)95-52(18-15-29-91-77(85)86)68(114)97-54(64(82)110)32-44-20-24-47(107)25-21-44/h20-27,38-42,49-60,62-63,107-108H,12-19,28-37H2,1-11H3,(H2,81,109)(H2,82,110)(H,89,93)(H,94,106)(H,95,111)(H,96,112)(H,97,114)(H,98,117)(H,99,116)(H,100,113)(H,101,120)(H,102,115)(H,103,121)(H,104,119)(H,105,118)(H4,83,84,90)(H4,85,86,91)(H4,87,88,92)/t41-,42-,49+,50+,51-,52-,53-,54-,55-,56-,57-,58-,59+,60+,62-,63-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.530n/an/an/an/an/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Displacement of Cy5-[K4]hPP from human Y4 receptor expressed in CHO cells after 90 to 120 mins by flow cytometry


J Med Chem 56: 8422-31 (2013)


Article DOI: 10.1021/jm4008505
BindingDB Entry DOI: 10.7270/Q25X2BC9
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 2


(Homo sapiens (Human))
BDBM50015490
PNG
(CHEMBL438945 | H-YPSKPDNPGEDAPAEDMARYYSALRHYINLITR...)
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](CCSC)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]([C@@H](C)CC)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O
Show InChI InChI=1S/C189H285N55O57S/c1-15-93(7)148(179(295)234-128(81-140(193)254)168(284)226-123(74-92(5)6)171(287)239-149(94(8)16-2)180(296)240-150(99(13)247)181(297)222-115(31-22-67-208-189(202)203)156(272)220-117(56-59-139(192)253)161(277)218-113(29-20-65-206-187(198)199)157(273)224-121(151(195)267)76-101-38-48-107(249)49-39-101)238-172(288)126(79-104-44-54-110(252)55-45-104)229-167(283)127(80-105-86-204-90-210-105)230-159(275)114(30-21-66-207-188(200)201)219-164(280)122(73-91(3)4)225-154(270)96(10)212-173(289)133(88-245)236-166(282)125(78-103-42-52-109(251)53-43-103)228-165(281)124(77-102-40-50-108(250)51-41-102)227-158(274)112(28-19-64-205-186(196)197)216-152(268)95(9)211-155(271)119(62-72-302-14)221-169(285)130(84-146(263)264)232-162(278)118(58-61-144(259)260)217-153(269)97(11)213-176(292)136-33-24-68-241(136)182(298)98(12)214-163(279)129(83-145(261)262)231-160(276)116(57-60-143(257)258)215-142(256)87-209-175(291)135-32-23-70-243(135)185(301)132(82-141(194)255)235-170(286)131(85-147(265)266)233-177(293)138-35-26-71-244(138)184(300)120(27-17-18-63-190)223-174(290)134(89-246)237-178(294)137-34-25-69-242(137)183(299)111(191)75-100-36-46-106(248)47-37-100/h36-55,86,90-99,111-138,148-150,245-252H,15-35,56-85,87-89,190-191H2,1-14H3,(H2,192,253)(H2,193,254)(H2,194,255)(H2,195,267)(H,204,210)(H,209,291)(H,211,271)(H,212,289)(H,213,292)(H,214,279)(H,215,256)(H,216,268)(H,217,269)(H,218,277)(H,219,280)(H,220,272)(H,221,285)(H,222,297)(H,223,290)(H,224,273)(H,225,270)(H,226,284)(H,227,274)(H,228,281)(H,229,283)(H,230,275)(H,231,276)(H,232,278)(H,233,293)(H,234,295)(H,235,286)(H,236,282)(H,237,294)(H,238,288)(H,239,287)(H,240,296)(H,257,258)(H,259,260)(H,261,262)(H,263,264)(H,265,266)(H4,196,197,205)(H4,198,199,206)(H4,200,201,207)(H4,202,203,208)/t93-,94-,95-,96-,97-,98-,99+,111-,112-,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-,148-,149-,150-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.800n/an/an/an/an/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Displacement of Cy5-pNPY from human Y2 receptor expressed in CHO cells after 90 to 120 mins by flow cytometry


J Med Chem 56: 8422-31 (2013)


Article DOI: 10.1021/jm4008505
BindingDB Entry DOI: 10.7270/Q25X2BC9
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5 ( NPY Y5)


(Homo sapiens (Human))
BDBM50015490
PNG
(CHEMBL438945 | H-YPSKPDNPGEDAPAEDMARYYSALRHYINLITR...)
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](CCSC)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]([C@@H](C)CC)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O
Show InChI InChI=1S/C189H285N55O57S/c1-15-93(7)148(179(295)234-128(81-140(193)254)168(284)226-123(74-92(5)6)171(287)239-149(94(8)16-2)180(296)240-150(99(13)247)181(297)222-115(31-22-67-208-189(202)203)156(272)220-117(56-59-139(192)253)161(277)218-113(29-20-65-206-187(198)199)157(273)224-121(151(195)267)76-101-38-48-107(249)49-39-101)238-172(288)126(79-104-44-54-110(252)55-45-104)229-167(283)127(80-105-86-204-90-210-105)230-159(275)114(30-21-66-207-188(200)201)219-164(280)122(73-91(3)4)225-154(270)96(10)212-173(289)133(88-245)236-166(282)125(78-103-42-52-109(251)53-43-103)228-165(281)124(77-102-40-50-108(250)51-41-102)227-158(274)112(28-19-64-205-186(196)197)216-152(268)95(9)211-155(271)119(62-72-302-14)221-169(285)130(84-146(263)264)232-162(278)118(58-61-144(259)260)217-153(269)97(11)213-176(292)136-33-24-68-241(136)182(298)98(12)214-163(279)129(83-145(261)262)231-160(276)116(57-60-143(257)258)215-142(256)87-209-175(291)135-32-23-70-243(135)185(301)132(82-141(194)255)235-170(286)131(85-147(265)266)233-177(293)138-35-26-71-244(138)184(300)120(27-17-18-63-190)223-174(290)134(89-246)237-178(294)137-34-25-69-242(137)183(299)111(191)75-100-36-46-106(248)47-37-100/h36-55,86,90-99,111-138,148-150,245-252H,15-35,56-85,87-89,190-191H2,1-14H3,(H2,192,253)(H2,193,254)(H2,194,255)(H2,195,267)(H,204,210)(H,209,291)(H,211,271)(H,212,289)(H,213,292)(H,214,279)(H,215,256)(H,216,268)(H,217,269)(H,218,277)(H,219,280)(H,220,272)(H,221,285)(H,222,297)(H,223,290)(H,224,273)(H,225,270)(H,226,284)(H,227,274)(H,228,281)(H,229,283)(H,230,275)(H,231,276)(H,232,278)(H,233,293)(H,234,295)(H,235,286)(H,236,282)(H,237,294)(H,238,288)(H,239,287)(H,240,296)(H,257,258)(H,259,260)(H,261,262)(H,263,264)(H,265,266)(H4,196,197,205)(H4,198,199,206)(H4,200,201,207)(H4,202,203,208)/t93-,94-,95-,96-,97-,98-,99+,111-,112-,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-,148-,149-,150-/m0/s1
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UniChem

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PubMed
2.20n/an/an/an/an/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Displacement of Cy5-pNPY from human Y5 receptor expressed in human HEC-1B cells after 90 to 120 mins by flow cytometry


J Med Chem 56: 8422-31 (2013)


Article DOI: 10.1021/jm4008505
BindingDB Entry DOI: 10.7270/Q25X2BC9
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 2


(Homo sapiens (Human))
BDBM50441955
PNG
(CHEMBL2440185)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCN=C(N)N)NC(C)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O
Show InChI InChI=1S/C75H120N26O18/c1-9-38(5)58(99-69(116)53(32-43-19-23-46(105)24-20-43)96-66(113)54(33-44-35-85-36-89-44)97-62(109)47(90-41(8)103)14-11-27-86-73(79)80)70(117)98-55(34-57(77)107)67(114)95-52(30-37(3)4)68(115)100-59(39(6)10-2)71(118)101-60(40(7)102)72(119)93-49(16-13-29-88-75(83)84)63(110)92-50(25-26-56(76)106)65(112)91-48(15-12-28-87-74(81)82)64(111)94-51(61(78)108)31-42-17-21-45(104)22-18-42/h17-24,35-40,47-55,58-60,102,104-105H,9-16,25-34H2,1-8H3,(H2,76,106)(H2,77,107)(H2,78,108)(H,85,89)(H,90,103)(H,91,112)(H,92,110)(H,93,119)(H,94,111)(H,95,114)(H,96,113)(H,97,109)(H,98,117)(H,99,116)(H,100,115)(H,101,118)(H4,79,80,86)(H4,81,82,87)(H4,83,84,88)/t38-,39-,40+,47-,48-,49-,50-,51-,52-,53-,54-,55-,58-,59-,60-/m0/s1
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PubMed
7.10n/an/an/an/an/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Binding affinity to human Y2 receptor expressed in human SMS-KAN cells by radioligand binding assay


J Med Chem 56: 8422-31 (2013)


Article DOI: 10.1021/jm4008505
BindingDB Entry DOI: 10.7270/Q25X2BC9
More data for this
Ligand-Target Pair
PPYR1


(Homo sapiens (Human))
BDBM50441953
PNG
(CHEMBL2440187)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCN=C(N)N)NC(C)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H]1CCC[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/C76H121N25O17/c1-9-39(5)59(99-70(115)55(33-44-22-26-47(105)27-23-44)96-67(112)56(34-45-36-85-37-89-45)97-64(109)50(90-42(8)103)17-12-28-86-74(79)80)71(116)98-57(35-58(77)106)68(113)95-54(31-38(3)4)69(114)100-60(40(6)10-2)72(117)101-61(41(7)102)73(118)93-52(19-14-30-88-76(83)84)65(110)91-49-16-11-15-48(49)63(108)92-51(18-13-29-87-75(81)82)66(111)94-53(62(78)107)32-43-20-24-46(104)25-21-43/h20-27,36-41,48-57,59-61,102,104-105H,9-19,28-35H2,1-8H3,(H2,77,106)(H2,78,107)(H,85,89)(H,90,103)(H,91,110)(H,92,108)(H,93,118)(H,94,111)(H,95,113)(H,96,112)(H,97,109)(H,98,116)(H,99,115)(H,100,114)(H,101,117)(H4,79,80,86)(H4,81,82,87)(H4,83,84,88)/t39-,40-,41+,48+,49-,50-,51-,52-,53-,54-,55-,56-,57-,59-,60-,61-/m0/s1
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10n/an/an/an/an/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Displacement of Cy5-[K4]hPP from human Y4 receptor expressed in CHO cells after 90 to 120 mins by flow cytometry


J Med Chem 56: 8422-31 (2013)


Article DOI: 10.1021/jm4008505
BindingDB Entry DOI: 10.7270/Q25X2BC9
More data for this
Ligand-Target Pair
PPYR1


(Homo sapiens (Human))
BDBM50441962
PNG
(CHEMBL2440195)
Show SMILES CCCC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCN=C(N)N)NC(C)=O)[C@@H](C)CC)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)N[C@H]1CCC[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/C76H126N26O17/c1-8-10-17-50(95-68(115)57(38-58(77)107)100-71(118)59(40(5)9-2)101-70(117)56(37-44-25-29-46(106)30-26-44)99-67(114)52(21-14-33-89-75(83)84)94-63(110)49(91-42(7)104)19-12-31-87-73(79)80)66(113)98-55(35-39(3)4)69(116)102-60(41(6)103)72(119)96-53(22-15-34-90-76(85)86)64(111)92-48-18-11-16-47(48)62(109)93-51(20-13-32-88-74(81)82)65(112)97-54(61(78)108)36-43-23-27-45(105)28-24-43/h23-30,39-41,47-57,59-60,103,105-106H,8-22,31-38H2,1-7H3,(H2,77,107)(H2,78,108)(H,91,104)(H,92,111)(H,93,109)(H,94,110)(H,95,115)(H,96,119)(H,97,112)(H,98,113)(H,99,114)(H,100,118)(H,101,117)(H,102,116)(H4,79,80,87)(H4,81,82,88)(H4,83,84,89)(H4,85,86,90)/t40-,41+,47+,48-,49-,50-,51-,52-,53-,54-,55-,56-,57-,59-,60-/m0/s1
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14n/an/an/an/an/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Displacement of Cy5-[K4]hPP from human Y4 receptor expressed in CHO cells after 90 to 120 mins by flow cytometry


J Med Chem 56: 8422-31 (2013)


Article DOI: 10.1021/jm4008505
BindingDB Entry DOI: 10.7270/Q25X2BC9
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5 ( NPY Y5)


(Homo sapiens (Human))
BDBM50441965
PNG
(CHEMBL2440192)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCSC)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)N)C(C)C)[C@@H](C)O)[C@@H](C)O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H](N)Cc1ccc(O)cc1
Show InChI InChI=1S/C184H287N53O53S2/c1-20-92(10)144(174(284)218-116(33-24-68-202-184(197)198)177(287)235-71-27-36-130(235)169(279)215-110(32-23-67-201-183(195)196)158(268)228-133(186)82-103-45-53-107(243)54-46-103)230-166(276)120(78-90(6)7)220-157(267)115(64-75-292-19)214-163(273)124(84-137(190)247)226-175(285)145(98(16)238)231-167(277)122(80-101-41-49-105(241)50-42-101)223-153(263)109(31-22-66-200-182(193)194)210-152(262)108(30-21-65-199-181(191)192)211-161(271)118(76-88(2)3)221-165(275)126(86-142(255)256)219-149(259)95(13)204-147(257)94(12)206-159(269)121(79-100-39-47-104(240)48-40-100)222-156(266)111(55-59-134(187)244)209-148(258)96(14)205-151(261)114(63-74-291-18)213-154(264)112(56-60-135(188)245)212-155(265)113(57-61-139(249)250)216-170(280)131-37-29-73-237(131)180(290)146(99(17)239)232-150(260)97(15)207-160(270)123(83-136(189)246)224-164(274)125(85-141(253)254)208-138(248)87-203-168(278)128-34-25-70-234(128)179(289)127(81-102-43-51-106(242)52-44-102)227-173(283)143(91(8)9)229-172(282)132-38-28-72-236(132)178(288)117(58-62-140(251)252)217-162(272)119(77-89(4)5)225-171(281)129-35-26-69-233(129)176(286)93(11)185/h39-54,88-99,108-133,143-146,238-243H,20-38,55-87,185-186H2,1-19H3,(H2,187,244)(H2,188,245)(H2,189,246)(H2,190,247)(H,203,278)(H,204,257)(H,205,261)(H,206,269)(H,207,270)(H,208,248)(H,209,258)(H,210,262)(H,211,271)(H,212,265)(H,213,264)(H,214,273)(H,215,279)(H,216,280)(H,217,272)(H,218,284)(H,219,259)(H,220,267)(H,221,275)(H,222,266)(H,223,263)(H,224,274)(H,225,281)(H,226,285)(H,227,283)(H,228,268)(H,229,282)(H,230,276)(H,231,277)(H,232,260)(H,249,250)(H,251,252)(H,253,254)(H,255,256)(H4,191,192,199)(H4,193,194,200)(H4,195,196,201)(H4,197,198,202)/t92-,93-,94-,95-,96-,97-,98+,99+,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,143-,144-,145-,146-/m0/s1
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17n/an/an/an/an/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Displacement of Cy5-pNPY from human Y5 receptor expressed in human HEC-1B cells after 90 to 120 mins by flow cytometry


J Med Chem 56: 8422-31 (2013)


Article DOI: 10.1021/jm4008505
BindingDB Entry DOI: 10.7270/Q25X2BC9
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(Homo sapiens (Human))
BDBM50441971
PNG
(CHEMBL2440183)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCN=C(N)N)NC(C)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H]1[C@@H]([C@H]1C(=O)OC)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O
Show InChI InChI=1S/C76H119N25O19/c1-10-37(5)57(98-68(114)51(31-42-20-24-45(105)25-21-42)95-65(111)52(32-43-34-85-35-89-43)96-62(108)46(90-40(8)103)15-12-26-86-74(79)80)70(116)97-53(33-54(77)106)66(112)94-50(29-36(3)4)67(113)99-58(38(6)11-2)71(117)100-59(39(7)102)72(118)92-48(17-14-28-88-76(83)84)64(110)101-60-55(56(60)73(119)120-9)69(115)91-47(16-13-27-87-75(81)82)63(109)93-49(61(78)107)30-41-18-22-44(104)23-19-41/h18-25,34-39,46-53,55-60,102,104-105H,10-17,26-33H2,1-9H3,(H2,77,106)(H2,78,107)(H,85,89)(H,90,103)(H,91,115)(H,92,118)(H,93,109)(H,94,112)(H,95,111)(H,96,108)(H,97,116)(H,98,114)(H,99,113)(H,100,117)(H,101,110)(H4,79,80,86)(H4,81,82,87)(H4,83,84,88)/t37-,38-,39+,46-,47-,48-,49-,50-,51-,52-,53-,55+,56+,57-,58-,59-,60+/m0/s1
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29n/an/an/an/an/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Binding affinity to Y1 receptor (unknown origin)


J Med Chem 56: 8422-31 (2013)


Article DOI: 10.1021/jm4008505
BindingDB Entry DOI: 10.7270/Q25X2BC9
More data for this
Ligand-Target Pair
PPYR1


(Homo sapiens (Human))
BDBM50441966
PNG
(CHEMBL2440191)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(N)=N)NC(C)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H]1CC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H]1CC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O
Show InChI InChI=1S/C76H120N28O16/c1-6-39(4)60(104-71(119)56(33-42-17-21-45(107)22-18-42)101-69(117)57(34-43-36-87-37-92-43)102-64(112)50(93-40(5)105)11-7-27-88-73(79)80)72(120)103-58(35-59(77)108)70(118)100-55(31-38(2)3)68(116)98-53(14-10-30-91-76(85)86)66(114)95-49-26-24-47(49)62(110)96-51(12-8-28-89-74(81)82)65(113)94-48-25-23-46(48)63(111)97-52(13-9-29-90-75(83)84)67(115)99-54(61(78)109)32-41-15-19-44(106)20-16-41/h15-22,36-39,46-58,60,106-107H,6-14,23-35H2,1-5H3,(H2,77,108)(H2,78,109)(H,87,92)(H,93,105)(H,94,113)(H,95,114)(H,96,110)(H,97,111)(H,98,116)(H,99,115)(H,100,118)(H,101,117)(H,102,112)(H,103,120)(H,104,119)(H4,79,80,88)(H4,81,82,89)(H4,83,84,90)(H4,85,86,91)/t39-,46+,47+,48-,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,60-/m0/s1
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35n/an/an/an/an/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Displacement of Cy5-[K4]hPP from human Y4 receptor expressed in CHO cells after 90 to 120 mins by flow cytometry


J Med Chem 56: 8422-31 (2013)


Article DOI: 10.1021/jm4008505
BindingDB Entry DOI: 10.7270/Q25X2BC9
More data for this
Ligand-Target Pair
PPYR1


(Homo sapiens (Human))
BDBM50441967
PNG
(CHEMBL2440190)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCN=C(N)N)NC(C)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@H]1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H]1CCC[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/C78H123N25O16/c1-8-41(5)62(74(118)94-52-18-11-16-50(52)66(110)95-54(20-13-31-89-77(83)84)68(112)93-51-17-10-15-49(51)65(109)96-55(21-14-32-90-78(85)86)69(113)97-56(64(80)108)34-44-22-26-47(105)27-23-44)102-72(116)57(33-40(3)4)98-71(115)60(37-61(79)107)101-75(119)63(42(6)9-2)103-73(117)58(35-45-24-28-48(106)29-25-45)99-70(114)59(36-46-38-87-39-91-46)100-67(111)53(92-43(7)104)19-12-30-88-76(81)82/h22-29,38-42,49-60,62-63,105-106H,8-21,30-37H2,1-7H3,(H2,79,107)(H2,80,108)(H,87,91)(H,92,104)(H,93,112)(H,94,118)(H,95,110)(H,96,109)(H,97,113)(H,98,115)(H,99,114)(H,100,111)(H,101,119)(H,102,116)(H,103,117)(H4,81,82,88)(H4,83,84,89)(H4,85,86,90)/t41-,42-,49+,50+,51-,52-,53-,54-,55-,56-,57-,58-,59-,60-,62-,63-/m0/s1
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37n/an/an/an/an/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Displacement of Cy5-[K4]hPP from human Y4 receptor expressed in CHO cells after 90 to 120 mins by flow cytometry


J Med Chem 56: 8422-31 (2013)


Article DOI: 10.1021/jm4008505
BindingDB Entry DOI: 10.7270/Q25X2BC9
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(Homo sapiens (Human))
BDBM50441970
PNG
(CHEMBL2440182)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCN=C(N)N)NC(C)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H]1[C@@H]([C@H]1C(=O)OC)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H]1[C@@H]([C@H]1C(=O)OC)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O
Show InChI InChI=1S/C78H120N28O20/c1-8-37(4)58(104-69(119)50(31-40-19-23-43(109)24-20-40)101-67(117)51(32-41-34-89-35-94-41)102-62(112)44(95-38(5)107)13-9-25-90-75(81)82)72(122)103-52(33-53(79)110)68(118)100-49(29-36(2)3)66(116)96-46(15-11-27-92-77(85)86)64(114)105-59-55(57(59)74(124)126-7)71(121)98-47(16-12-28-93-78(87)88)65(115)106-60-54(56(60)73(123)125-6)70(120)97-45(14-10-26-91-76(83)84)63(113)99-48(61(80)111)30-39-17-21-42(108)22-18-39/h17-24,34-37,44-52,54-60,108-109H,8-16,25-33H2,1-7H3,(H2,79,110)(H2,80,111)(H,89,94)(H,95,107)(H,96,116)(H,97,120)(H,98,121)(H,99,113)(H,100,118)(H,101,117)(H,102,112)(H,103,122)(H,104,119)(H,105,114)(H,106,115)(H4,81,82,90)(H4,83,84,91)(H4,85,86,92)(H4,87,88,93)/t37-,44-,45-,46-,47-,48-,49-,50-,51-,52-,54+,55+,56+,57+,58-,59+,60+/m0/s1
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50n/an/an/an/an/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Binding affinity to Y1 receptor (unknown origin)


J Med Chem 56: 8422-31 (2013)


Article DOI: 10.1021/jm4008505
BindingDB Entry DOI: 10.7270/Q25X2BC9
More data for this
Ligand-Target Pair
PPYR1


(Homo sapiens (Human))
BDBM50441957
PNG
(CHEMBL2440199)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(C)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O
Show InChI InChI=1S/C38H58N12O8/c1-21(2)18-30(35(57)47-27(6-4-16-44-37(40)41)33(55)49-29(32(39)54)19-23-8-12-25(52)13-9-23)50-34(56)28(7-5-17-45-38(42)43)48-36(58)31(46-22(3)51)20-24-10-14-26(53)15-11-24/h8-15,21,27-31,52-53H,4-7,16-20H2,1-3H3,(H2,39,54)(H,46,51)(H,47,57)(H,48,58)(H,49,55)(H,50,56)(H4,40,41,44)(H4,42,43,45)/t27-,28-,29-,30-,31-/m0/s1
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50n/an/an/an/an/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Displacement of Cy5-[K4]hPP from human Y4 receptor expressed in CHO cells after 90 to 120 mins by flow cytometry


J Med Chem 56: 8422-31 (2013)


Article DOI: 10.1021/jm4008505
BindingDB Entry DOI: 10.7270/Q25X2BC9
More data for this
Ligand-Target Pair
PPYR1


(Homo sapiens (Human))
BDBM50441960
PNG
(CHEMBL2440197)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCN=C(N)N)NC(C)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(N)=O)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)N[C@H]1CC[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/C73H119N27O18/c1-7-36(4)56(99-67(116)51(32-40-18-22-42(104)23-19-40)96-63(112)47(14-10-28-87-72(81)82)92-60(109)45(89-38(6)102)12-8-26-85-70(77)78)68(117)98-53(34-55(75)106)65(114)97-52(33-54(74)105)64(113)95-50(30-35(2)3)66(115)100-57(37(5)101)69(118)93-48(15-11-29-88-73(83)84)61(110)90-44-25-24-43(44)59(108)91-46(13-9-27-86-71(79)80)62(111)94-49(58(76)107)31-39-16-20-41(103)21-17-39/h16-23,35-37,43-53,56-57,101,103-104H,7-15,24-34H2,1-6H3,(H2,74,105)(H2,75,106)(H2,76,107)(H,89,102)(H,90,110)(H,91,108)(H,92,109)(H,93,118)(H,94,111)(H,95,113)(H,96,112)(H,97,114)(H,98,117)(H,99,116)(H,100,115)(H4,77,78,85)(H4,79,80,86)(H4,81,82,87)(H4,83,84,88)/t36-,37+,43+,44-,45-,46-,47-,48-,49-,50-,51-,52-,53-,56-,57-/m0/s1
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70n/an/an/an/an/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Displacement of Cy5-[K4]hPP from human Y4 receptor expressed in CHO cells after 90 to 120 mins by flow cytometry


J Med Chem 56: 8422-31 (2013)


Article DOI: 10.1021/jm4008505
BindingDB Entry DOI: 10.7270/Q25X2BC9
More data for this
Ligand-Target Pair
PPYR1


(Homo sapiens (Human))
BDBM50441969
PNG
(CHEMBL2440188)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCN=C(N)N)NC(C)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H]1CC[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/C75H119N25O17/c1-9-38(5)58(98-69(114)54(32-43-19-23-46(104)24-20-43)95-66(111)55(33-44-35-84-36-88-44)96-63(108)49(89-41(8)102)14-11-27-85-73(78)79)70(115)97-56(34-57(76)105)67(112)94-53(30-37(3)4)68(113)99-59(39(6)10-2)71(116)100-60(40(7)101)72(117)92-51(16-13-29-87-75(82)83)64(109)90-48-26-25-47(48)62(107)91-50(15-12-28-86-74(80)81)65(110)93-52(61(77)106)31-42-17-21-45(103)22-18-42/h17-24,35-40,47-56,58-60,101,103-104H,9-16,25-34H2,1-8H3,(H2,76,105)(H2,77,106)(H,84,88)(H,89,102)(H,90,109)(H,91,107)(H,92,117)(H,93,110)(H,94,112)(H,95,111)(H,96,108)(H,97,115)(H,98,114)(H,99,113)(H,100,116)(H4,78,79,85)(H4,80,81,86)(H4,82,83,87)/t38-,39-,40+,47+,48-,49-,50-,51-,52-,53-,54-,55-,56-,58-,59-,60-/m0/s1
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72n/an/an/an/an/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Displacement of Cy5-[K4]hPP from human Y4 receptor expressed in CHO cells after 90 to 120 mins by flow cytometry


J Med Chem 56: 8422-31 (2013)


Article DOI: 10.1021/jm4008505
BindingDB Entry DOI: 10.7270/Q25X2BC9
More data for this
Ligand-Target Pair
PPYR1


(Homo sapiens (Human))
BDBM50441963
PNG
(CHEMBL2440194)
Show SMILES CCCC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCN=C(N)N)NC(C)=O)[C@@H](C)CC)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O
Show InChI InChI=1S/C75H124N26O17/c1-8-10-16-48(92-65(112)55(38-57(76)106)98-69(116)58(40(5)9-2)99-67(114)54(37-44-24-28-46(105)29-25-44)97-64(111)49(18-12-31-87-73(80)81)91-61(108)47(90-42(7)103)17-11-30-86-72(78)79)63(110)96-53(35-39(3)4)66(113)100-59(41(6)102)70(117)94-51(20-14-33-89-75(84)85)71(118)101-34-15-21-56(101)68(115)93-50(19-13-32-88-74(82)83)62(109)95-52(60(77)107)36-43-22-26-45(104)27-23-43/h22-29,39-41,47-56,58-59,102,104-105H,8-21,30-38H2,1-7H3,(H2,76,106)(H2,77,107)(H,90,103)(H,91,108)(H,92,112)(H,93,115)(H,94,117)(H,95,109)(H,96,110)(H,97,111)(H,98,116)(H,99,114)(H,100,113)(H4,78,79,86)(H4,80,81,87)(H4,82,83,88)(H4,84,85,89)/t40-,41+,47-,48-,49-,50-,51-,52-,53-,54-,55-,56-,58-,59-/m0/s1
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75n/an/an/an/an/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Displacement of Cy5-[K4]hPP from human Y4 receptor expressed in CHO cells after 90 to 120 mins by flow cytometry


J Med Chem 56: 8422-31 (2013)


Article DOI: 10.1021/jm4008505
BindingDB Entry DOI: 10.7270/Q25X2BC9
More data for this
Ligand-Target Pair
PPYR1


(Homo sapiens (Human))
BDBM50441961
PNG
(CHEMBL2440196)
Show SMILES CCCC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCN=C(N)N)NC(C)=O)[C@@H](C)CC)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)N[C@H]1CC[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/C75H124N26O17/c1-8-10-15-49(94-67(114)56(37-57(76)106)99-70(117)58(39(5)9-2)100-69(116)55(36-43-22-26-45(105)27-23-43)98-66(113)51(18-13-32-88-74(82)83)93-62(109)48(90-41(7)103)16-11-30-86-72(78)79)65(112)97-54(34-38(3)4)68(115)101-59(40(6)102)71(118)95-52(19-14-33-89-75(84)85)63(110)91-47-29-28-46(47)61(108)92-50(17-12-31-87-73(80)81)64(111)96-53(60(77)107)35-42-20-24-44(104)25-21-42/h20-27,38-40,46-56,58-59,102,104-105H,8-19,28-37H2,1-7H3,(H2,76,106)(H2,77,107)(H,90,103)(H,91,110)(H,92,108)(H,93,109)(H,94,114)(H,95,118)(H,96,111)(H,97,112)(H,98,113)(H,99,117)(H,100,116)(H,101,115)(H4,78,79,86)(H4,80,81,87)(H4,82,83,88)(H4,84,85,89)/t39-,40+,46+,47-,48-,49-,50-,51-,52-,53-,54-,55-,56-,58-,59-/m0/s1
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93n/an/an/an/an/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Displacement of Cy5-[K4]hPP from human Y4 receptor expressed in CHO cells after 90 to 120 mins by flow cytometry


J Med Chem 56: 8422-31 (2013)


Article DOI: 10.1021/jm4008505
BindingDB Entry DOI: 10.7270/Q25X2BC9
More data for this
Ligand-Target Pair
PPYR1


(Homo sapiens (Human))
BDBM50441956
PNG
(CHEMBL2440200)
Show SMILES CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H]1CCC[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/C38H56N12O8/c1-21(51)46-31(20-23-11-15-25(53)16-12-23)36(58)49-29(8-4-18-45-38(42)43)34(56)47-27-6-2-5-26(27)33(55)48-28(7-3-17-44-37(40)41)35(57)50-30(32(39)54)19-22-9-13-24(52)14-10-22/h9-16,26-31,52-53H,2-8,17-20H2,1H3,(H2,39,54)(H,46,51)(H,47,56)(H,48,55)(H,49,58)(H,50,57)(H4,40,41,44)(H4,42,43,45)/t26-,27+,28+,29+,30+,31+/m1/s1
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105n/an/an/an/an/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Displacement of Cy5-[K4]hPP from human Y4 receptor expressed in CHO cells after 90 to 120 mins by flow cytometry


J Med Chem 56: 8422-31 (2013)


Article DOI: 10.1021/jm4008505
BindingDB Entry DOI: 10.7270/Q25X2BC9
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5 ( NPY Y5)


(Homo sapiens (Human))
BDBM50441971
PNG
(CHEMBL2440183)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCN=C(N)N)NC(C)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H]1[C@@H]([C@H]1C(=O)OC)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O
Show InChI InChI=1S/C76H119N25O19/c1-10-37(5)57(98-68(114)51(31-42-20-24-45(105)25-21-42)95-65(111)52(32-43-34-85-35-89-43)96-62(108)46(90-40(8)103)15-12-26-86-74(79)80)70(116)97-53(33-54(77)106)66(112)94-50(29-36(3)4)67(113)99-58(38(6)11-2)71(117)100-59(39(7)102)72(118)92-48(17-14-28-88-76(83)84)64(110)101-60-55(56(60)73(119)120-9)69(115)91-47(16-13-27-87-75(81)82)63(109)93-49(61(78)107)30-41-18-22-44(104)23-19-41/h18-25,34-39,46-53,55-60,102,104-105H,10-17,26-33H2,1-9H3,(H2,77,106)(H2,78,107)(H,85,89)(H,90,103)(H,91,115)(H,92,118)(H,93,109)(H,94,112)(H,95,111)(H,96,108)(H,97,116)(H,98,114)(H,99,113)(H,100,117)(H,101,110)(H4,79,80,86)(H4,81,82,87)(H4,83,84,88)/t37-,38-,39+,46-,47-,48-,49-,50-,51-,52-,53-,55+,56+,57-,58-,59-,60+/m0/s1
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118n/an/an/an/an/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Binding affinity to Y5 receptor (unknown origin)


J Med Chem 56: 8422-31 (2013)


Article DOI: 10.1021/jm4008505
BindingDB Entry DOI: 10.7270/Q25X2BC9
More data for this
Ligand-Target Pair
PPYR1


(Homo sapiens (Human))
BDBM50441954
PNG
(CHEMBL2440186)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCN=C(N)N)NC(C)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O
Show InChI InChI=1S/C76H123N25O17/c1-11-40(7)59(99-70(115)55(33-45-21-25-48(105)26-22-45)96-67(112)56(34-46-36-85-37-89-46)97-63(108)49(90-43(10)103)16-13-27-86-74(79)80)71(116)98-57(35-58(77)106)68(113)95-54(31-39(5)6)69(114)100-60(41(8)12-2)72(117)101-61(42(9)102)73(118)92-51(18-15-29-88-76(83)84)65(110)94-53(30-38(3)4)66(111)91-50(17-14-28-87-75(81)82)64(109)93-52(62(78)107)32-44-19-23-47(104)24-20-44/h19-26,36-42,49-57,59-61,102,104-105H,11-18,27-35H2,1-10H3,(H2,77,106)(H2,78,107)(H,85,89)(H,90,103)(H,91,111)(H,92,118)(H,93,109)(H,94,110)(H,95,113)(H,96,112)(H,97,108)(H,98,116)(H,99,115)(H,100,114)(H,101,117)(H4,79,80,86)(H4,81,82,87)(H4,83,84,88)/t40-,41-,42+,49-,50-,51-,52-,53-,54-,55-,56-,57-,59-,60-,61-/m0/s1
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157n/an/an/an/an/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Displacement of Cy5-[K4]hPP from human Y4 receptor expressed in CHO cells after 90 to 120 mins by flow cytometry


J Med Chem 56: 8422-31 (2013)


Article DOI: 10.1021/jm4008505
BindingDB Entry DOI: 10.7270/Q25X2BC9
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 2


(Homo sapiens (Human))
BDBM50441962
PNG
(CHEMBL2440195)
Show SMILES CCCC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCN=C(N)N)NC(C)=O)[C@@H](C)CC)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)N[C@H]1CCC[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/C76H126N26O17/c1-8-10-17-50(95-68(115)57(38-58(77)107)100-71(118)59(40(5)9-2)101-70(117)56(37-44-25-29-46(106)30-26-44)99-67(114)52(21-14-33-89-75(83)84)94-63(110)49(91-42(7)104)19-12-31-87-73(79)80)66(113)98-55(35-39(3)4)69(116)102-60(41(6)103)72(119)96-53(22-15-34-90-76(85)86)64(111)92-48-18-11-16-47(48)62(109)93-51(20-13-32-88-74(81)82)65(112)97-54(61(78)108)36-43-23-27-45(105)28-24-43/h23-30,39-41,47-57,59-60,103,105-106H,8-22,31-38H2,1-7H3,(H2,77,107)(H2,78,108)(H,91,104)(H,92,111)(H,93,109)(H,94,110)(H,95,115)(H,96,119)(H,97,112)(H,98,113)(H,99,114)(H,100,118)(H,101,117)(H,102,116)(H4,79,80,87)(H4,81,82,88)(H4,83,84,89)(H4,85,86,90)/t40-,41+,47+,48-,49-,50-,51-,52-,53-,54-,55-,56-,57-,59-,60-/m0/s1
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217n/an/an/an/an/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Displacement of Cy5-pNPY from human Y2 receptor expressed in CHO cells after 90 to 120 mins by flow cytometry


J Med Chem 56: 8422-31 (2013)


Article DOI: 10.1021/jm4008505
BindingDB Entry DOI: 10.7270/Q25X2BC9
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(Homo sapiens (Human))
BDBM50441963
PNG
(CHEMBL2440194)
Show SMILES CCCC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCN=C(N)N)NC(C)=O)[C@@H](C)CC)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O
Show InChI InChI=1S/C75H124N26O17/c1-8-10-16-48(92-65(112)55(38-57(76)106)98-69(116)58(40(5)9-2)99-67(114)54(37-44-24-28-46(105)29-25-44)97-64(111)49(18-12-31-87-73(80)81)91-61(108)47(90-42(7)103)17-11-30-86-72(78)79)63(110)96-53(35-39(3)4)66(113)100-59(41(6)102)70(117)94-51(20-14-33-89-75(84)85)71(118)101-34-15-21-56(101)68(115)93-50(19-13-32-88-74(82)83)62(109)95-52(60(77)107)36-43-22-26-45(104)27-23-43/h22-29,39-41,47-56,58-59,102,104-105H,8-21,30-38H2,1-7H3,(H2,76,106)(H2,77,107)(H,90,103)(H,91,108)(H,92,112)(H,93,115)(H,94,117)(H,95,109)(H,96,110)(H,97,111)(H,98,116)(H,99,114)(H,100,113)(H4,78,79,86)(H4,80,81,87)(H4,82,83,88)(H4,84,85,89)/t40-,41+,47-,48-,49-,50-,51-,52-,53-,54-,55-,56-,58-,59-/m0/s1
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281n/an/an/an/an/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Displacement of Cy5-pNPY from human Y1 receptor expressed in HEL cells after 90 to 120 mins by flow cytometry


J Med Chem 56: 8422-31 (2013)


Article DOI: 10.1021/jm4008505
BindingDB Entry DOI: 10.7270/Q25X2BC9
More data for this
Ligand-Target Pair
PPYR1


(Homo sapiens (Human))
BDBM50015490
PNG
(CHEMBL438945 | H-YPSKPDNPGEDAPAEDMARYYSALRHYINLITR...)
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](CCSC)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]([C@@H](C)CC)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O
Show InChI InChI=1S/C189H285N55O57S/c1-15-93(7)148(179(295)234-128(81-140(193)254)168(284)226-123(74-92(5)6)171(287)239-149(94(8)16-2)180(296)240-150(99(13)247)181(297)222-115(31-22-67-208-189(202)203)156(272)220-117(56-59-139(192)253)161(277)218-113(29-20-65-206-187(198)199)157(273)224-121(151(195)267)76-101-38-48-107(249)49-39-101)238-172(288)126(79-104-44-54-110(252)55-45-104)229-167(283)127(80-105-86-204-90-210-105)230-159(275)114(30-21-66-207-188(200)201)219-164(280)122(73-91(3)4)225-154(270)96(10)212-173(289)133(88-245)236-166(282)125(78-103-42-52-109(251)53-43-103)228-165(281)124(77-102-40-50-108(250)51-41-102)227-158(274)112(28-19-64-205-186(196)197)216-152(268)95(9)211-155(271)119(62-72-302-14)221-169(285)130(84-146(263)264)232-162(278)118(58-61-144(259)260)217-153(269)97(11)213-176(292)136-33-24-68-241(136)182(298)98(12)214-163(279)129(83-145(261)262)231-160(276)116(57-60-143(257)258)215-142(256)87-209-175(291)135-32-23-70-243(135)185(301)132(82-141(194)255)235-170(286)131(85-147(265)266)233-177(293)138-35-26-71-244(138)184(300)120(27-17-18-63-190)223-174(290)134(89-246)237-178(294)137-34-25-69-242(137)183(299)111(191)75-100-36-46-106(248)47-37-100/h36-55,86,90-99,111-138,148-150,245-252H,15-35,56-85,87-89,190-191H2,1-14H3,(H2,192,253)(H2,193,254)(H2,194,255)(H2,195,267)(H,204,210)(H,209,291)(H,211,271)(H,212,289)(H,213,292)(H,214,279)(H,215,256)(H,216,268)(H,217,269)(H,218,277)(H,219,280)(H,220,272)(H,221,285)(H,222,297)(H,223,290)(H,224,273)(H,225,270)(H,226,284)(H,227,274)(H,228,281)(H,229,283)(H,230,275)(H,231,276)(H,232,278)(H,233,293)(H,234,295)(H,235,286)(H,236,282)(H,237,294)(H,238,288)(H,239,287)(H,240,296)(H,257,258)(H,259,260)(H,261,262)(H,263,264)(H,265,266)(H4,196,197,205)(H4,198,199,206)(H4,200,201,207)(H4,202,203,208)/t93-,94-,95-,96-,97-,98-,99+,111-,112-,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-,148-,149-,150-/m0/s1
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282n/an/an/an/an/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Displacement of Cy5-[K4]hPP from human Y4 receptor expressed in CHO cells after 90 to 120 mins by flow cytometry


J Med Chem 56: 8422-31 (2013)


Article DOI: 10.1021/jm4008505
BindingDB Entry DOI: 10.7270/Q25X2BC9
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(Homo sapiens (Human))
BDBM50441965
PNG
(CHEMBL2440192)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCSC)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)N)C(C)C)[C@@H](C)O)[C@@H](C)O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H](N)Cc1ccc(O)cc1
Show InChI InChI=1S/C184H287N53O53S2/c1-20-92(10)144(174(284)218-116(33-24-68-202-184(197)198)177(287)235-71-27-36-130(235)169(279)215-110(32-23-67-201-183(195)196)158(268)228-133(186)82-103-45-53-107(243)54-46-103)230-166(276)120(78-90(6)7)220-157(267)115(64-75-292-19)214-163(273)124(84-137(190)247)226-175(285)145(98(16)238)231-167(277)122(80-101-41-49-105(241)50-42-101)223-153(263)109(31-22-66-200-182(193)194)210-152(262)108(30-21-65-199-181(191)192)211-161(271)118(76-88(2)3)221-165(275)126(86-142(255)256)219-149(259)95(13)204-147(257)94(12)206-159(269)121(79-100-39-47-104(240)48-40-100)222-156(266)111(55-59-134(187)244)209-148(258)96(14)205-151(261)114(63-74-291-18)213-154(264)112(56-60-135(188)245)212-155(265)113(57-61-139(249)250)216-170(280)131-37-29-73-237(131)180(290)146(99(17)239)232-150(260)97(15)207-160(270)123(83-136(189)246)224-164(274)125(85-141(253)254)208-138(248)87-203-168(278)128-34-25-70-234(128)179(289)127(81-102-43-51-106(242)52-44-102)227-173(283)143(91(8)9)229-172(282)132-38-28-72-236(132)178(288)117(58-62-140(251)252)217-162(272)119(77-89(4)5)225-171(281)129-35-26-69-233(129)176(286)93(11)185/h39-54,88-99,108-133,143-146,238-243H,20-38,55-87,185-186H2,1-19H3,(H2,187,244)(H2,188,245)(H2,189,246)(H2,190,247)(H,203,278)(H,204,257)(H,205,261)(H,206,269)(H,207,270)(H,208,248)(H,209,258)(H,210,262)(H,211,271)(H,212,265)(H,213,264)(H,214,273)(H,215,279)(H,216,280)(H,217,272)(H,218,284)(H,219,259)(H,220,267)(H,221,275)(H,222,266)(H,223,263)(H,224,274)(H,225,281)(H,226,285)(H,227,283)(H,228,268)(H,229,282)(H,230,276)(H,231,277)(H,232,260)(H,249,250)(H,251,252)(H,253,254)(H,255,256)(H4,191,192,199)(H4,193,194,200)(H4,195,196,201)(H4,197,198,202)/t92-,93-,94-,95-,96-,97-,98+,99+,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,143-,144-,145-,146-/m0/s1
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440n/an/an/an/an/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Displacement of Cy5-pNPY from human Y1 receptor expressed in HEL cells after 90 to 120 mins by flow cytometry


J Med Chem 56: 8422-31 (2013)


Article DOI: 10.1021/jm4008505
BindingDB Entry DOI: 10.7270/Q25X2BC9
More data for this
Ligand-Target Pair
PPYR1


(Homo sapiens (Human))
BDBM50441959
PNG
(CHEMBL2440198)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](NC(C)=O)[C@@H](C)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O
Show InChI InChI=1S/C33H56N12O8/c1-17(2)15-25(45-29(51)23(8-6-14-40-33(37)38)43-31(53)26(18(3)46)41-19(4)47)30(52)42-22(7-5-13-39-32(35)36)28(50)44-24(27(34)49)16-20-9-11-21(48)12-10-20/h9-12,17-18,22-26,46,48H,5-8,13-16H2,1-4H3,(H2,34,49)(H,41,47)(H,42,52)(H,43,53)(H,44,50)(H,45,51)(H4,35,36,39)(H4,37,38,40)/t18-,22+,23+,24+,25+,26+/m1/s1
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490n/an/an/an/an/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Displacement of Cy5-[K4]hPP from human Y4 receptor expressed in CHO cells after 90 to 120 mins by flow cytometry


J Med Chem 56: 8422-31 (2013)


Article DOI: 10.1021/jm4008505
BindingDB Entry DOI: 10.7270/Q25X2BC9
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5 ( NPY Y5)


(Homo sapiens (Human))
BDBM50441967
PNG
(CHEMBL2440190)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCN=C(N)N)NC(C)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@H]1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H]1CCC[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/C78H123N25O16/c1-8-41(5)62(74(118)94-52-18-11-16-50(52)66(110)95-54(20-13-31-89-77(83)84)68(112)93-51-17-10-15-49(51)65(109)96-55(21-14-32-90-78(85)86)69(113)97-56(64(80)108)34-44-22-26-47(105)27-23-44)102-72(116)57(33-40(3)4)98-71(115)60(37-61(79)107)101-75(119)63(42(6)9-2)103-73(117)58(35-45-24-28-48(106)29-25-45)99-70(114)59(36-46-38-87-39-91-46)100-67(111)53(92-43(7)104)19-12-30-88-76(81)82/h22-29,38-42,49-60,62-63,105-106H,8-21,30-37H2,1-7H3,(H2,79,107)(H2,80,108)(H,87,91)(H,92,104)(H,93,112)(H,94,118)(H,95,110)(H,96,109)(H,97,113)(H,98,115)(H,99,114)(H,100,111)(H,101,119)(H,102,116)(H,103,117)(H4,81,82,88)(H4,83,84,89)(H4,85,86,90)/t41-,42-,49+,50+,51-,52-,53-,54-,55-,56-,57-,58-,59-,60-,62-,63-/m0/s1
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>500n/an/an/an/an/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Displacement of Cy5-pNPY from human Y5 receptor expressed in human HEC-1B cells after 90 to 120 mins by flow cytometry


J Med Chem 56: 8422-31 (2013)


Article DOI: 10.1021/jm4008505
BindingDB Entry DOI: 10.7270/Q25X2BC9
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5 ( NPY Y5)


(Homo sapiens (Human))
BDBM50441962
PNG
(CHEMBL2440195)
Show SMILES CCCC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCN=C(N)N)NC(C)=O)[C@@H](C)CC)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)N[C@H]1CCC[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/C76H126N26O17/c1-8-10-17-50(95-68(115)57(38-58(77)107)100-71(118)59(40(5)9-2)101-70(117)56(37-44-25-29-46(106)30-26-44)99-67(114)52(21-14-33-89-75(83)84)94-63(110)49(91-42(7)104)19-12-31-87-73(79)80)66(113)98-55(35-39(3)4)69(116)102-60(41(6)103)72(119)96-53(22-15-34-90-76(85)86)64(111)92-48-18-11-16-47(48)62(109)93-51(20-13-32-88-74(81)82)65(112)97-54(61(78)108)36-43-23-27-45(105)28-24-43/h23-30,39-41,47-57,59-60,103,105-106H,8-22,31-38H2,1-7H3,(H2,77,107)(H2,78,108)(H,91,104)(H,92,111)(H,93,109)(H,94,110)(H,95,115)(H,96,119)(H,97,112)(H,98,113)(H,99,114)(H,100,118)(H,101,117)(H,102,116)(H4,79,80,87)(H4,81,82,88)(H4,83,84,89)(H4,85,86,90)/t40-,41+,47+,48-,49-,50-,51-,52-,53-,54-,55-,56-,57-,59-,60-/m0/s1
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>500n/an/an/an/an/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Displacement of Cy5-pNPY from human Y5 receptor expressed in human HEC-1B cells after 90 to 120 mins by flow cytometry


J Med Chem 56: 8422-31 (2013)


Article DOI: 10.1021/jm4008505
BindingDB Entry DOI: 10.7270/Q25X2BC9
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5 ( NPY Y5)


(Homo sapiens (Human))
BDBM50441953
PNG
(CHEMBL2440187)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCN=C(N)N)NC(C)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H]1CCC[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/C76H121N25O17/c1-9-39(5)59(99-70(115)55(33-44-22-26-47(105)27-23-44)96-67(112)56(34-45-36-85-37-89-45)97-64(109)50(90-42(8)103)17-12-28-86-74(79)80)71(116)98-57(35-58(77)106)68(113)95-54(31-38(3)4)69(114)100-60(40(6)10-2)72(117)101-61(41(7)102)73(118)93-52(19-14-30-88-76(83)84)65(110)91-49-16-11-15-48(49)63(108)92-51(18-13-29-87-75(81)82)66(111)94-53(62(78)107)32-43-20-24-46(104)25-21-43/h20-27,36-41,48-57,59-61,102,104-105H,9-19,28-35H2,1-8H3,(H2,77,106)(H2,78,107)(H,85,89)(H,90,103)(H,91,110)(H,92,108)(H,93,118)(H,94,111)(H,95,113)(H,96,112)(H,97,109)(H,98,116)(H,99,115)(H,100,114)(H,101,117)(H4,79,80,86)(H4,81,82,87)(H4,83,84,88)/t39-,40-,41+,48+,49-,50-,51-,52-,53-,54-,55-,56-,57-,59-,60-,61-/m0/s1
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>500n/an/an/an/an/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Displacement of Cy5-pNPY from human Y5 receptor expressed in human HEC-1B cells after 90 to 120 mins by flow cytometry


J Med Chem 56: 8422-31 (2013)


Article DOI: 10.1021/jm4008505
BindingDB Entry DOI: 10.7270/Q25X2BC9
More data for this
Ligand-Target Pair
PPYR1


(Homo sapiens (Human))
BDBM50441958
PNG
(CHEMBL2440119)
Show SMILES C[C@@H](O)[C@H](NC(C)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H]1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O
Show InChI InChI=1S/C33H54N12O8/c1-17(46)26(41-18(2)47)31(53)44-24(9-5-15-40-33(37)38)29(51)42-22-7-3-6-21(22)28(50)43-23(8-4-14-39-32(35)36)30(52)45-25(27(34)49)16-19-10-12-20(48)13-11-19/h10-13,17,21-26,46,48H,3-9,14-16H2,1-2H3,(H2,34,49)(H,41,47)(H,42,51)(H,43,50)(H,44,53)(H,45,52)(H4,35,36,39)(H4,37,38,40)/t17-,21-,22+,23+,24+,25+,26+/m1/s1
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509n/an/an/an/an/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Displacement of Cy5-[K4]hPP from human Y4 receptor expressed in CHO cells after 90 to 120 mins by flow cytometry


J Med Chem 56: 8422-31 (2013)


Article DOI: 10.1021/jm4008505
BindingDB Entry DOI: 10.7270/Q25X2BC9
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5 ( NPY Y5)


(Homo sapiens (Human))
BDBM50441970
PNG
(CHEMBL2440182)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCN=C(N)N)NC(C)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H]1[C@@H]([C@H]1C(=O)OC)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H]1[C@@H]([C@H]1C(=O)OC)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O
Show InChI InChI=1S/C78H120N28O20/c1-8-37(4)58(104-69(119)50(31-40-19-23-43(109)24-20-40)101-67(117)51(32-41-34-89-35-94-41)102-62(112)44(95-38(5)107)13-9-25-90-75(81)82)72(122)103-52(33-53(79)110)68(118)100-49(29-36(2)3)66(116)96-46(15-11-27-92-77(85)86)64(114)105-59-55(57(59)74(124)126-7)71(121)98-47(16-12-28-93-78(87)88)65(115)106-60-54(56(60)73(123)125-6)70(120)97-45(14-10-26-91-76(83)84)63(113)99-48(61(80)111)30-39-17-21-42(108)22-18-39/h17-24,34-37,44-52,54-60,108-109H,8-16,25-33H2,1-7H3,(H2,79,110)(H2,80,111)(H,89,94)(H,95,107)(H,96,116)(H,97,120)(H,98,121)(H,99,113)(H,100,118)(H,101,117)(H,102,112)(H,103,122)(H,104,119)(H,105,114)(H,106,115)(H4,81,82,90)(H4,83,84,91)(H4,85,86,92)(H4,87,88,93)/t37-,44-,45-,46-,47-,48-,49-,50-,51-,52-,54+,55+,56+,57+,58-,59+,60+/m0/s1
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617n/an/an/an/an/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Binding affinity to Y5 receptor (unknown origin)


J Med Chem 56: 8422-31 (2013)


Article DOI: 10.1021/jm4008505
BindingDB Entry DOI: 10.7270/Q25X2BC9
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 2


(Homo sapiens (Human))
BDBM50441961
PNG
(CHEMBL2440196)
Show SMILES CCCC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCN=C(N)N)NC(C)=O)[C@@H](C)CC)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)N[C@H]1CC[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/C75H124N26O17/c1-8-10-15-49(94-67(114)56(37-57(76)106)99-70(117)58(39(5)9-2)100-69(116)55(36-43-22-26-45(105)27-23-43)98-66(113)51(18-13-32-88-74(82)83)93-62(109)48(90-41(7)103)16-11-30-86-72(78)79)65(112)97-54(34-38(3)4)68(115)101-59(40(6)102)71(118)95-52(19-14-33-89-75(84)85)63(110)91-47-29-28-46(47)61(108)92-50(17-12-31-87-73(80)81)64(111)96-53(60(77)107)35-42-20-24-44(104)25-21-42/h20-27,38-40,46-56,58-59,102,104-105H,8-19,28-37H2,1-7H3,(H2,76,106)(H2,77,107)(H,90,103)(H,91,110)(H,92,108)(H,93,109)(H,94,114)(H,95,118)(H,96,111)(H,97,112)(H,98,113)(H,99,117)(H,100,116)(H,101,115)(H4,78,79,86)(H4,80,81,87)(H4,82,83,88)(H4,84,85,89)/t39-,40+,46+,47-,48-,49-,50-,51-,52-,53-,54-,55-,56-,58-,59-/m0/s1
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708n/an/an/an/an/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Displacement of Cy5-pNPY from human Y2 receptor expressed in CHO cells after 90 to 120 mins by flow cytometry


J Med Chem 56: 8422-31 (2013)


Article DOI: 10.1021/jm4008505
BindingDB Entry DOI: 10.7270/Q25X2BC9
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(Homo sapiens (Human))
BDBM50441961
PNG
(CHEMBL2440196)
Show SMILES CCCC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCN=C(N)N)NC(C)=O)[C@@H](C)CC)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)N[C@H]1CC[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/C75H124N26O17/c1-8-10-15-49(94-67(114)56(37-57(76)106)99-70(117)58(39(5)9-2)100-69(116)55(36-43-22-26-45(105)27-23-43)98-66(113)51(18-13-32-88-74(82)83)93-62(109)48(90-41(7)103)16-11-30-86-72(78)79)65(112)97-54(34-38(3)4)68(115)101-59(40(6)102)71(118)95-52(19-14-33-89-75(84)85)63(110)91-47-29-28-46(47)61(108)92-50(17-12-31-87-73(80)81)64(111)96-53(60(77)107)35-42-20-24-44(104)25-21-42/h20-27,38-40,46-56,58-59,102,104-105H,8-19,28-37H2,1-7H3,(H2,76,106)(H2,77,107)(H,90,103)(H,91,110)(H,92,108)(H,93,109)(H,94,114)(H,95,118)(H,96,111)(H,97,112)(H,98,113)(H,99,117)(H,100,116)(H,101,115)(H4,78,79,86)(H4,80,81,87)(H4,82,83,88)(H4,84,85,89)/t39-,40+,46+,47-,48-,49-,50-,51-,52-,53-,54-,55-,56-,58-,59-/m0/s1
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>1.00E+3n/an/an/an/an/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Displacement of Cy5-pNPY from human Y1 receptor expressed in HEL cells after 90 to 120 mins by flow cytometry


J Med Chem 56: 8422-31 (2013)


Article DOI: 10.1021/jm4008505
BindingDB Entry DOI: 10.7270/Q25X2BC9
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(Homo sapiens (Human))
BDBM50441962
PNG
(CHEMBL2440195)
Show SMILES CCCC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCN=C(N)N)NC(C)=O)[C@@H](C)CC)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)N[C@H]1CCC[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/C76H126N26O17/c1-8-10-17-50(95-68(115)57(38-58(77)107)100-71(118)59(40(5)9-2)101-70(117)56(37-44-25-29-46(106)30-26-44)99-67(114)52(21-14-33-89-75(83)84)94-63(110)49(91-42(7)104)19-12-31-87-73(79)80)66(113)98-55(35-39(3)4)69(116)102-60(41(6)103)72(119)96-53(22-15-34-90-76(85)86)64(111)92-48-18-11-16-47(48)62(109)93-51(20-13-32-88-74(81)82)65(112)97-54(61(78)108)36-43-23-27-45(105)28-24-43/h23-30,39-41,47-57,59-60,103,105-106H,8-22,31-38H2,1-7H3,(H2,77,107)(H2,78,108)(H,91,104)(H,92,111)(H,93,109)(H,94,110)(H,95,115)(H,96,119)(H,97,112)(H,98,113)(H,99,114)(H,100,118)(H,101,117)(H,102,116)(H4,79,80,87)(H4,81,82,88)(H4,83,84,89)(H4,85,86,90)/t40-,41+,47+,48-,49-,50-,51-,52-,53-,54-,55-,56-,57-,59-,60-/m0/s1
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>1.00E+3n/an/an/an/an/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Displacement of Cy5-pNPY from human Y1 receptor expressed in HEL cells after 90 to 120 mins by flow cytometry


J Med Chem 56: 8422-31 (2013)


Article DOI: 10.1021/jm4008505
BindingDB Entry DOI: 10.7270/Q25X2BC9
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(Homo sapiens (Human))
BDBM50441964
PNG
(CHEMBL2440193)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCN=C(N)N)NC(C)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H]1C[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H]2C[C@H](C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc3ccc(O)cc3)C(N)=O)C2(C)C)C1(C)C
Show InChI InChI=1S/C80H127N25O16/c1-12-41(5)62(104-73(119)56(33-45-22-26-48(108)27-23-45)99-70(116)57(34-46-38-89-39-93-46)100-67(113)51(94-43(7)106)17-14-28-90-76(83)84)74(120)101-58(37-61(81)109)71(117)98-55(31-40(3)4)72(118)105-63(42(6)13-2)75(121)103-60-36-50(80(60,10)11)66(112)96-53(19-16-30-92-78(87)88)69(115)102-59-35-49(79(59,8)9)65(111)95-52(18-15-29-91-77(85)86)68(114)97-54(64(82)110)32-44-20-24-47(107)25-21-44/h20-27,38-42,49-60,62-63,107-108H,12-19,28-37H2,1-11H3,(H2,81,109)(H2,82,110)(H,89,93)(H,94,106)(H,95,111)(H,96,112)(H,97,114)(H,98,117)(H,99,116)(H,100,113)(H,101,120)(H,102,115)(H,103,121)(H,104,119)(H,105,118)(H4,83,84,90)(H4,85,86,91)(H4,87,88,92)/t41-,42-,49+,50+,51-,52-,53-,54-,55-,56-,57-,58-,59+,60+,62-,63-/m0/s1
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>1.00E+3n/an/an/an/an/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Displacement of Cy5-pNPY from human Y1 receptor expressed in HEL cells after 90 to 120 mins by flow cytometry


J Med Chem 56: 8422-31 (2013)


Article DOI: 10.1021/jm4008505
BindingDB Entry DOI: 10.7270/Q25X2BC9
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(Homo sapiens (Human))
BDBM50441966
PNG
(CHEMBL2440191)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(N)=N)NC(C)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H]1CC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H]1CC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O
Show InChI InChI=1S/C76H120N28O16/c1-6-39(4)60(104-71(119)56(33-42-17-21-45(107)22-18-42)101-69(117)57(34-43-36-87-37-92-43)102-64(112)50(93-40(5)105)11-7-27-88-73(79)80)72(120)103-58(35-59(77)108)70(118)100-55(31-38(2)3)68(116)98-53(14-10-30-91-76(85)86)66(114)95-49-26-24-47(49)62(110)96-51(12-8-28-89-74(81)82)65(113)94-48-25-23-46(48)63(111)97-52(13-9-29-90-75(83)84)67(115)99-54(61(78)109)32-41-15-19-44(106)20-16-41/h15-22,36-39,46-58,60,106-107H,6-14,23-35H2,1-5H3,(H2,77,108)(H2,78,109)(H,87,92)(H,93,105)(H,94,113)(H,95,114)(H,96,110)(H,97,111)(H,98,116)(H,99,115)(H,100,118)(H,101,117)(H,102,112)(H,103,120)(H,104,119)(H4,79,80,88)(H4,81,82,89)(H4,83,84,90)(H4,85,86,91)/t39-,46+,47+,48-,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,60-/m0/s1
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>1.00E+3n/an/an/an/an/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Displacement of Cy5-pNPY from human Y1 receptor expressed in HEL cells after 90 to 120 mins by flow cytometry


J Med Chem 56: 8422-31 (2013)


Article DOI: 10.1021/jm4008505
BindingDB Entry DOI: 10.7270/Q25X2BC9
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(Homo sapiens (Human))
BDBM50441967
PNG
(CHEMBL2440190)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCN=C(N)N)NC(C)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@H]1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H]1CCC[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/C78H123N25O16/c1-8-41(5)62(74(118)94-52-18-11-16-50(52)66(110)95-54(20-13-31-89-77(83)84)68(112)93-51-17-10-15-49(51)65(109)96-55(21-14-32-90-78(85)86)69(113)97-56(64(80)108)34-44-22-26-47(105)27-23-44)102-72(116)57(33-40(3)4)98-71(115)60(37-61(79)107)101-75(119)63(42(6)9-2)103-73(117)58(35-45-24-28-48(106)29-25-45)99-70(114)59(36-46-38-87-39-91-46)100-67(111)53(92-43(7)104)19-12-30-88-76(81)82/h22-29,38-42,49-60,62-63,105-106H,8-21,30-37H2,1-7H3,(H2,79,107)(H2,80,108)(H,87,91)(H,92,104)(H,93,112)(H,94,118)(H,95,110)(H,96,109)(H,97,113)(H,98,115)(H,99,114)(H,100,111)(H,101,119)(H,102,116)(H,103,117)(H4,81,82,88)(H4,83,84,89)(H4,85,86,90)/t41-,42-,49+,50+,51-,52-,53-,54-,55-,56-,57-,58-,59-,60-,62-,63-/m0/s1
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>1.00E+3n/an/an/an/an/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Displacement of Cy5-pNPY from human Y1 receptor expressed in HEL cells after 90 to 120 mins by flow cytometry


J Med Chem 56: 8422-31 (2013)


Article DOI: 10.1021/jm4008505
BindingDB Entry DOI: 10.7270/Q25X2BC9
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(Homo sapiens (Human))
BDBM50441968
PNG
(CHEMBL2440189)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCN=C(N)N)NC(C)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H]1C[C@@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)C1(C)C
Show InChI InChI=1S/C77H123N25O17/c1-11-39(5)59(100-70(116)54(32-44-21-25-47(106)26-22-44)96-67(113)55(33-45-36-86-37-90-45)97-64(110)49(91-42(8)104)16-13-27-87-74(80)81)71(117)98-56(35-58(78)107)68(114)95-53(30-38(3)4)69(115)101-60(40(6)12-2)72(118)102-61(41(7)103)73(119)93-51(18-15-29-89-76(84)85)66(112)99-57-34-48(77(57,9)10)63(109)92-50(17-14-28-88-75(82)83)65(111)94-52(62(79)108)31-43-19-23-46(105)24-20-43/h19-26,36-41,48-57,59-61,103,105-106H,11-18,27-35H2,1-10H3,(H2,78,107)(H2,79,108)(H,86,90)(H,91,104)(H,92,109)(H,93,119)(H,94,111)(H,95,114)(H,96,113)(H,97,110)(H,98,117)(H,99,112)(H,100,116)(H,101,115)(H,102,118)(H4,80,81,87)(H4,82,83,88)(H4,84,85,89)/t39-,40-,41+,48-,49-,50-,51-,52-,53-,54-,55-,56-,57-,59-,60-,61-/m0/s1
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>1.00E+3n/an/an/an/an/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Displacement of Cy5-pNPY from human Y1 receptor expressed in HEL cells after 90 to 120 mins by flow cytometry


J Med Chem 56: 8422-31 (2013)


Article DOI: 10.1021/jm4008505
BindingDB Entry DOI: 10.7270/Q25X2BC9
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(Homo sapiens (Human))
BDBM50441969
PNG
(CHEMBL2440188)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCN=C(N)N)NC(C)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H]1CC[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/C75H119N25O17/c1-9-38(5)58(98-69(114)54(32-43-19-23-46(104)24-20-43)95-66(111)55(33-44-35-84-36-88-44)96-63(108)49(89-41(8)102)14-11-27-85-73(78)79)70(115)97-56(34-57(76)105)67(112)94-53(30-37(3)4)68(113)99-59(39(6)10-2)71(116)100-60(40(7)101)72(117)92-51(16-13-29-87-75(82)83)64(109)90-48-26-25-47(48)62(107)91-50(15-12-28-86-74(80)81)65(110)93-52(61(77)106)31-42-17-21-45(103)22-18-42/h17-24,35-40,47-56,58-60,101,103-104H,9-16,25-34H2,1-8H3,(H2,76,105)(H2,77,106)(H,84,88)(H,89,102)(H,90,109)(H,91,107)(H,92,117)(H,93,110)(H,94,112)(H,95,111)(H,96,108)(H,97,115)(H,98,114)(H,99,113)(H,100,116)(H4,78,79,85)(H4,80,81,86)(H4,82,83,87)/t38-,39-,40+,47+,48-,49-,50-,51-,52-,53-,54-,55-,56-,58-,59-,60-/m0/s1
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>1.00E+3n/an/an/an/an/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Displacement of Cy5-pNPY from human Y1 receptor expressed in HEL cells after 90 to 120 mins by flow cytometry


J Med Chem 56: 8422-31 (2013)


Article DOI: 10.1021/jm4008505
BindingDB Entry DOI: 10.7270/Q25X2BC9
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(Homo sapiens (Human))
BDBM50441953
PNG
(CHEMBL2440187)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCN=C(N)N)NC(C)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H]1CCC[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/C76H121N25O17/c1-9-39(5)59(99-70(115)55(33-44-22-26-47(105)27-23-44)96-67(112)56(34-45-36-85-37-89-45)97-64(109)50(90-42(8)103)17-12-28-86-74(79)80)71(116)98-57(35-58(77)106)68(113)95-54(31-38(3)4)69(114)100-60(40(6)10-2)72(117)101-61(41(7)102)73(118)93-52(19-14-30-88-76(83)84)65(110)91-49-16-11-15-48(49)63(108)92-51(18-13-29-87-75(81)82)66(111)94-53(62(78)107)32-43-20-24-46(104)25-21-43/h20-27,36-41,48-57,59-61,102,104-105H,9-19,28-35H2,1-8H3,(H2,77,106)(H2,78,107)(H,85,89)(H,90,103)(H,91,110)(H,92,108)(H,93,118)(H,94,111)(H,95,113)(H,96,112)(H,97,109)(H,98,116)(H,99,115)(H,100,114)(H,101,117)(H4,79,80,86)(H4,81,82,87)(H4,83,84,88)/t39-,40-,41+,48+,49-,50-,51-,52-,53-,54-,55-,56-,57-,59-,60-,61-/m0/s1
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>1.00E+3n/an/an/an/an/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Displacement of Cy5-pNPY from human Y1 receptor expressed in HEL cells after 90 to 120 mins by flow cytometry


J Med Chem 56: 8422-31 (2013)


Article DOI: 10.1021/jm4008505
BindingDB Entry DOI: 10.7270/Q25X2BC9
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(Homo sapiens (Human))
BDBM50441954
PNG
(CHEMBL2440186)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCN=C(N)N)NC(C)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O
Show InChI InChI=1S/C76H123N25O17/c1-11-40(7)59(99-70(115)55(33-45-21-25-48(105)26-22-45)96-67(112)56(34-46-36-85-37-89-46)97-63(108)49(90-43(10)103)16-13-27-86-74(79)80)71(116)98-57(35-58(77)106)68(113)95-54(31-39(5)6)69(114)100-60(41(8)12-2)72(117)101-61(42(9)102)73(118)92-51(18-15-29-88-76(83)84)65(110)94-53(30-38(3)4)66(111)91-50(17-14-28-87-75(81)82)64(109)93-52(62(78)107)32-44-19-23-47(104)24-20-44/h19-26,36-42,49-57,59-61,102,104-105H,11-18,27-35H2,1-10H3,(H2,77,106)(H2,78,107)(H,85,89)(H,90,103)(H,91,111)(H,92,118)(H,93,109)(H,94,110)(H,95,113)(H,96,112)(H,97,108)(H,98,116)(H,99,115)(H,100,114)(H,101,117)(H4,79,80,86)(H4,81,82,87)(H4,83,84,88)/t40-,41-,42+,49-,50-,51-,52-,53-,54-,55-,56-,57-,59-,60-,61-/m0/s1
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>1.00E+3n/an/an/an/an/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Displacement of Cy5-pNPY from human Y1 receptor expressed in HEL cells after 90 to 120 mins by flow cytometry


J Med Chem 56: 8422-31 (2013)


Article DOI: 10.1021/jm4008505
BindingDB Entry DOI: 10.7270/Q25X2BC9
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(Homo sapiens (Human))
BDBM50441955
PNG
(CHEMBL2440185)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCN=C(N)N)NC(C)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O
Show InChI InChI=1S/C75H120N26O18/c1-9-38(5)58(99-69(116)53(32-43-19-23-46(105)24-20-43)96-66(113)54(33-44-35-85-36-89-44)97-62(109)47(90-41(8)103)14-11-27-86-73(79)80)70(117)98-55(34-57(77)107)67(114)95-52(30-37(3)4)68(115)100-59(39(6)10-2)71(118)101-60(40(7)102)72(119)93-49(16-13-29-88-75(83)84)63(110)92-50(25-26-56(76)106)65(112)91-48(15-12-28-87-74(81)82)64(111)94-51(61(78)108)31-42-17-21-45(104)22-18-42/h17-24,35-40,47-55,58-60,102,104-105H,9-16,25-34H2,1-8H3,(H2,76,106)(H2,77,107)(H2,78,108)(H,85,89)(H,90,103)(H,91,112)(H,92,110)(H,93,119)(H,94,111)(H,95,114)(H,96,113)(H,97,109)(H,98,117)(H,99,116)(H,100,115)(H,101,118)(H4,79,80,86)(H4,81,82,87)(H4,83,84,88)/t38-,39-,40+,47-,48-,49-,50-,51-,52-,53-,54-,55-,58-,59-,60-/m0/s1
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>1.00E+3n/an/an/an/an/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Displacement of Cy5-pNPY from human Y1 receptor expressed in HEL cells after 90 to 120 mins by flow cytometry


J Med Chem 56: 8422-31 (2013)


Article DOI: 10.1021/jm4008505
BindingDB Entry DOI: 10.7270/Q25X2BC9
More data for this
Ligand-Target Pair
PPYR1


(Homo sapiens (Human))
BDBM50441965
PNG
(CHEMBL2440192)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCSC)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)N)C(C)C)[C@@H](C)O)[C@@H](C)O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H](N)Cc1ccc(O)cc1
Show InChI InChI=1S/C184H287N53O53S2/c1-20-92(10)144(174(284)218-116(33-24-68-202-184(197)198)177(287)235-71-27-36-130(235)169(279)215-110(32-23-67-201-183(195)196)158(268)228-133(186)82-103-45-53-107(243)54-46-103)230-166(276)120(78-90(6)7)220-157(267)115(64-75-292-19)214-163(273)124(84-137(190)247)226-175(285)145(98(16)238)231-167(277)122(80-101-41-49-105(241)50-42-101)223-153(263)109(31-22-66-200-182(193)194)210-152(262)108(30-21-65-199-181(191)192)211-161(271)118(76-88(2)3)221-165(275)126(86-142(255)256)219-149(259)95(13)204-147(257)94(12)206-159(269)121(79-100-39-47-104(240)48-40-100)222-156(266)111(55-59-134(187)244)209-148(258)96(14)205-151(261)114(63-74-291-18)213-154(264)112(56-60-135(188)245)212-155(265)113(57-61-139(249)250)216-170(280)131-37-29-73-237(131)180(290)146(99(17)239)232-150(260)97(15)207-160(270)123(83-136(189)246)224-164(274)125(85-141(253)254)208-138(248)87-203-168(278)128-34-25-70-234(128)179(289)127(81-102-43-51-106(242)52-44-102)227-173(283)143(91(8)9)229-172(282)132-38-28-72-236(132)178(288)117(58-62-140(251)252)217-162(272)119(77-89(4)5)225-171(281)129-35-26-69-233(129)176(286)93(11)185/h39-54,88-99,108-133,143-146,238-243H,20-38,55-87,185-186H2,1-19H3,(H2,187,244)(H2,188,245)(H2,189,246)(H2,190,247)(H,203,278)(H,204,257)(H,205,261)(H,206,269)(H,207,270)(H,208,248)(H,209,258)(H,210,262)(H,211,271)(H,212,265)(H,213,264)(H,214,273)(H,215,279)(H,216,280)(H,217,272)(H,218,284)(H,219,259)(H,220,267)(H,221,275)(H,222,266)(H,223,263)(H,224,274)(H,225,281)(H,226,285)(H,227,283)(H,228,268)(H,229,282)(H,230,276)(H,231,277)(H,232,260)(H,249,250)(H,251,252)(H,253,254)(H,255,256)(H4,191,192,199)(H4,193,194,200)(H4,195,196,201)(H4,197,198,202)/t92-,93-,94-,95-,96-,97-,98+,99+,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,143-,144-,145-,146-/m0/s1
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>1.00E+3n/an/an/an/an/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Displacement of Cy5-[K4]hPP from human Y4 receptor expressed in CHO cells after 90 to 120 mins by flow cytometry


J Med Chem 56: 8422-31 (2013)


Article DOI: 10.1021/jm4008505
BindingDB Entry DOI: 10.7270/Q25X2BC9
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5 ( NPY Y5)


(Homo sapiens (Human))
BDBM50441956
PNG
(CHEMBL2440200)
Show SMILES CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H]1CCC[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/C38H56N12O8/c1-21(51)46-31(20-23-11-15-25(53)16-12-23)36(58)49-29(8-4-18-45-38(42)43)34(56)47-27-6-2-5-26(27)33(55)48-28(7-3-17-44-37(40)41)35(57)50-30(32(39)54)19-22-9-13-24(52)14-10-22/h9-16,26-31,52-53H,2-8,17-20H2,1H3,(H2,39,54)(H,46,51)(H,47,56)(H,48,55)(H,49,58)(H,50,57)(H4,40,41,44)(H4,42,43,45)/t26-,27+,28+,29+,30+,31+/m1/s1
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>1.00E+3n/an/an/an/an/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Displacement of Cy5-pNPY from human Y5 receptor expressed in human HEC-1B cells after 90 to 120 mins by flow cytometry


J Med Chem 56: 8422-31 (2013)


Article DOI: 10.1021/jm4008505
BindingDB Entry DOI: 10.7270/Q25X2BC9
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5 ( NPY Y5)


(Homo sapiens (Human))
BDBM50441957
PNG
(CHEMBL2440199)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(C)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O
Show InChI InChI=1S/C38H58N12O8/c1-21(2)18-30(35(57)47-27(6-4-16-44-37(40)41)33(55)49-29(32(39)54)19-23-8-12-25(52)13-9-23)50-34(56)28(7-5-17-45-38(42)43)48-36(58)31(46-22(3)51)20-24-10-14-26(53)15-11-24/h8-15,21,27-31,52-53H,4-7,16-20H2,1-3H3,(H2,39,54)(H,46,51)(H,47,57)(H,48,58)(H,49,55)(H,50,56)(H4,40,41,44)(H4,42,43,45)/t27-,28-,29-,30-,31-/m0/s1
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>1.00E+3n/an/an/an/an/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Displacement of Cy5-pNPY from human Y5 receptor expressed in human HEC-1B cells after 90 to 120 mins by flow cytometry


J Med Chem 56: 8422-31 (2013)


Article DOI: 10.1021/jm4008505
BindingDB Entry DOI: 10.7270/Q25X2BC9
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5 ( NPY Y5)


(Homo sapiens (Human))
BDBM50441958
PNG
(CHEMBL2440119)
Show SMILES C[C@@H](O)[C@H](NC(C)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H]1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O
Show InChI InChI=1S/C33H54N12O8/c1-17(46)26(41-18(2)47)31(53)44-24(9-5-15-40-33(37)38)29(51)42-22-7-3-6-21(22)28(50)43-23(8-4-14-39-32(35)36)30(52)45-25(27(34)49)16-19-10-12-20(48)13-11-19/h10-13,17,21-26,46,48H,3-9,14-16H2,1-2H3,(H2,34,49)(H,41,47)(H,42,51)(H,43,50)(H,44,53)(H,45,52)(H4,35,36,39)(H4,37,38,40)/t17-,21-,22+,23+,24+,25+,26+/m1/s1
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>1.00E+3n/an/an/an/an/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Displacement of Cy5-pNPY from human Y5 receptor expressed in human HEC-1B cells after 90 to 120 mins by flow cytometry


J Med Chem 56: 8422-31 (2013)


Article DOI: 10.1021/jm4008505
BindingDB Entry DOI: 10.7270/Q25X2BC9
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5 ( NPY Y5)


(Homo sapiens (Human))
BDBM50441959
PNG
(CHEMBL2440198)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](NC(C)=O)[C@@H](C)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O
Show InChI InChI=1S/C33H56N12O8/c1-17(2)15-25(45-29(51)23(8-6-14-40-33(37)38)43-31(53)26(18(3)46)41-19(4)47)30(52)42-22(7-5-13-39-32(35)36)28(50)44-24(27(34)49)16-20-9-11-21(48)12-10-20/h9-12,17-18,22-26,46,48H,5-8,13-16H2,1-4H3,(H2,34,49)(H,41,47)(H,42,52)(H,43,53)(H,44,50)(H,45,51)(H4,35,36,39)(H4,37,38,40)/t18-,22+,23+,24+,25+,26+/m1/s1
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>1.00E+3n/an/an/an/an/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Displacement of Cy5-pNPY from human Y5 receptor expressed in human HEC-1B cells after 90 to 120 mins by flow cytometry


J Med Chem 56: 8422-31 (2013)


Article DOI: 10.1021/jm4008505
BindingDB Entry DOI: 10.7270/Q25X2BC9
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5 ( NPY Y5)


(Homo sapiens (Human))
BDBM50441960
PNG
(CHEMBL2440197)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCN=C(N)N)NC(C)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(N)=O)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)N[C@H]1CC[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/C73H119N27O18/c1-7-36(4)56(99-67(116)51(32-40-18-22-42(104)23-19-40)96-63(112)47(14-10-28-87-72(81)82)92-60(109)45(89-38(6)102)12-8-26-85-70(77)78)68(117)98-53(34-55(75)106)65(114)97-52(33-54(74)105)64(113)95-50(30-35(2)3)66(115)100-57(37(5)101)69(118)93-48(15-11-29-88-73(83)84)61(110)90-44-25-24-43(44)59(108)91-46(13-9-27-86-71(79)80)62(111)94-49(58(76)107)31-39-16-20-41(103)21-17-39/h16-23,35-37,43-53,56-57,101,103-104H,7-15,24-34H2,1-6H3,(H2,74,105)(H2,75,106)(H2,76,107)(H,89,102)(H,90,110)(H,91,108)(H,92,109)(H,93,118)(H,94,111)(H,95,113)(H,96,112)(H,97,114)(H,98,117)(H,99,116)(H,100,115)(H4,77,78,85)(H4,79,80,86)(H4,81,82,87)(H4,83,84,88)/t36-,37+,43+,44-,45-,46-,47-,48-,49-,50-,51-,52-,53-,56-,57-/m0/s1
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>1.00E+3n/an/an/an/an/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Displacement of Cy5-pNPY from human Y5 receptor expressed in human HEC-1B cells after 90 to 120 mins by flow cytometry


J Med Chem 56: 8422-31 (2013)


Article DOI: 10.1021/jm4008505
BindingDB Entry DOI: 10.7270/Q25X2BC9
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5 ( NPY Y5)


(Homo sapiens (Human))
BDBM50441961
PNG
(CHEMBL2440196)
Show SMILES CCCC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCN=C(N)N)NC(C)=O)[C@@H](C)CC)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)N[C@H]1CC[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/C75H124N26O17/c1-8-10-15-49(94-67(114)56(37-57(76)106)99-70(117)58(39(5)9-2)100-69(116)55(36-43-22-26-45(105)27-23-43)98-66(113)51(18-13-32-88-74(82)83)93-62(109)48(90-41(7)103)16-11-30-86-72(78)79)65(112)97-54(34-38(3)4)68(115)101-59(40(6)102)71(118)95-52(19-14-33-89-75(84)85)63(110)91-47-29-28-46(47)61(108)92-50(17-12-31-87-73(80)81)64(111)96-53(60(77)107)35-42-20-24-44(104)25-21-42/h20-27,38-40,46-56,58-59,102,104-105H,8-19,28-37H2,1-7H3,(H2,76,106)(H2,77,107)(H,90,103)(H,91,110)(H,92,108)(H,93,109)(H,94,114)(H,95,118)(H,96,111)(H,97,112)(H,98,113)(H,99,117)(H,100,116)(H,101,115)(H4,78,79,86)(H4,80,81,87)(H4,82,83,88)(H4,84,85,89)/t39-,40+,46+,47-,48-,49-,50-,51-,52-,53-,54-,55-,56-,58-,59-/m0/s1
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>1.00E+3n/an/an/an/an/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Displacement of Cy5-pNPY from human Y5 receptor expressed in human HEC-1B cells after 90 to 120 mins by flow cytometry


J Med Chem 56: 8422-31 (2013)


Article DOI: 10.1021/jm4008505
BindingDB Entry DOI: 10.7270/Q25X2BC9
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5 ( NPY Y5)


(Homo sapiens (Human))
BDBM50441963
PNG
(CHEMBL2440194)
Show SMILES CCCC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCN=C(N)N)NC(C)=O)[C@@H](C)CC)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O
Show InChI InChI=1S/C75H124N26O17/c1-8-10-16-48(92-65(112)55(38-57(76)106)98-69(116)58(40(5)9-2)99-67(114)54(37-44-24-28-46(105)29-25-44)97-64(111)49(18-12-31-87-73(80)81)91-61(108)47(90-42(7)103)17-11-30-86-72(78)79)63(110)96-53(35-39(3)4)66(113)100-59(41(6)102)70(117)94-51(20-14-33-89-75(84)85)71(118)101-34-15-21-56(101)68(115)93-50(19-13-32-88-74(82)83)62(109)95-52(60(77)107)36-43-22-26-45(104)27-23-43/h22-29,39-41,47-56,58-59,102,104-105H,8-21,30-38H2,1-7H3,(H2,76,106)(H2,77,107)(H,90,103)(H,91,108)(H,92,112)(H,93,115)(H,94,117)(H,95,109)(H,96,110)(H,97,111)(H,98,116)(H,99,114)(H,100,113)(H4,78,79,86)(H4,80,81,87)(H4,82,83,88)(H4,84,85,89)/t40-,41+,47-,48-,49-,50-,51-,52-,53-,54-,55-,56-,58-,59-/m0/s1
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>1.00E+3n/an/an/an/an/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Displacement of Cy5-pNPY from human Y5 receptor expressed in human HEC-1B cells after 90 to 120 mins by flow cytometry


J Med Chem 56: 8422-31 (2013)


Article DOI: 10.1021/jm4008505
BindingDB Entry DOI: 10.7270/Q25X2BC9
More data for this
Ligand-Target Pair
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