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Compile Data Set for Download or QSAR

Found 204 hits with Last Name = 'reiser' and Initial = 'o'   
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
Calcitonin gene-related peptide type 1 receptor/Receptor activity-modifying protein 1


(Homo sapiens (Human))
BDBM50180775
PNG
(CHEMBL386763 | FV-Aib-TDVGPFAF | [Aib29,Asp31,Pro3...)
Show SMILES CC(C)[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](NC(=O)C(C)(C)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccccc1)C(C)C)[C@@H](C)O)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(O)=O |r|
Show InChI InChI=1S/C59H81N11O15/c1-32(2)46(67-52(78)41(30-45(73)74)64-55(81)48(35(6)71)68-58(85)59(7,8)69-56(82)47(33(3)4)66-50(76)39(60)27-36-19-12-9-13-20-36)54(80)61-31-44(72)70-26-18-25-43(70)53(79)63-40(28-37-21-14-10-15-22-37)51(77)62-34(5)49(75)65-42(57(83)84)29-38-23-16-11-17-24-38/h9-17,19-24,32-35,39-43,46-48,71H,18,25-31,60H2,1-8H3,(H,61,80)(H,62,77)(H,63,79)(H,64,81)(H,65,75)(H,66,76)(H,67,78)(H,68,85)(H,69,82)(H,73,74)(H,83,84)/t34-,35+,39-,40-,41-,42-,43-,46-,47-,48-/m0/s1
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Article
PubMed
0.00200n/an/an/an/an/an/an/an/a



University of Leipzig

Curated by ChEMBL


Assay Description
Displacement of [3H-propionyl-K24] from halphaCGRP expressed in human neuroblastoma SK-N-MC cells


J Med Chem 49: 616-24 (2006)


Article DOI: 10.1021/jm050613s
BindingDB Entry DOI: 10.7270/Q280526H
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor/Receptor activity-modifying protein 1


(Homo sapiens (Human))
BDBM50180778
PNG
(CHEMBL2371891 | FV-Hyp-TDVGPFAF)
Show SMILES CC(C)[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccccc1)C(C)C)[C@@H](C)O)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C60H81N11O16/c1-32(2)48(57(83)62-30-46(74)70-24-16-23-44(70)55(81)64-41(26-37-19-12-8-13-20-37)53(79)63-34(5)51(77)66-43(60(86)87)27-38-21-14-9-15-22-38)67-54(80)42(29-47(75)76)65-58(84)50(35(6)72)69-56(82)45-28-39(73)31-71(45)59(85)49(33(3)4)68-52(78)40(61)25-36-17-10-7-11-18-36/h7-15,17-22,32-35,39-45,48-50,72-73H,16,23-31,61H2,1-6H3,(H,62,83)(H,63,79)(H,64,81)(H,65,84)(H,66,77)(H,67,80)(H,68,78)(H,69,82)(H,75,76)(H,86,87)/t34-,35+,39+,40-,41-,42-,43-,44-,45-,48-,49-,50-/m0/s1
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PubMed
0.00600n/an/an/an/an/an/an/an/a



University of Leipzig

Curated by ChEMBL


Assay Description
Displacement of [3H-propionyl-K24] from halphaCGRP expressed in human neuroblastoma SK-N-MC cells


J Med Chem 49: 616-24 (2006)


Article DOI: 10.1021/jm050613s
BindingDB Entry DOI: 10.7270/Q280526H
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor/Receptor activity-modifying protein 1


(Homo sapiens (Human))
BDBM50062162
PNG
(CHEMBL264010 | FVPTDVGPFAF)
Show SMILES CC(C)[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccccc1)C(C)C)[C@@H](C)O)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C60H81N11O15/c1-33(2)48(67-54(79)42(31-47(74)75)65-58(83)50(36(6)72)69-56(81)45-25-17-27-71(45)59(84)49(34(3)4)68-52(77)40(61)28-37-18-10-7-11-19-37)57(82)62-32-46(73)70-26-16-24-44(70)55(80)64-41(29-38-20-12-8-13-21-38)53(78)63-35(5)51(76)66-43(60(85)86)30-39-22-14-9-15-23-39/h7-15,18-23,33-36,40-45,48-50,72H,16-17,24-32,61H2,1-6H3,(H,62,82)(H,63,78)(H,64,80)(H,65,83)(H,66,76)(H,67,79)(H,68,77)(H,69,81)(H,74,75)(H,85,86)/t35-,36+,40-,41-,42-,43-,44-,45-,48-,49-,50-/m0/s1
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0.0200n/an/an/an/an/an/an/an/a



University of Leipzig

Curated by ChEMBL


Assay Description
Displacement of [3H-propionyl-K24] from halphaCGRP expressed in human neuroblastoma SK-N-MC cells


J Med Chem 49: 616-24 (2006)


Article DOI: 10.1021/jm050613s
BindingDB Entry DOI: 10.7270/Q280526H
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor/Receptor activity-modifying protein 1


(Homo sapiens (Human))
BDBM50180781
PNG
(CHEMBL2371890 | FV-Tic-TDVGPFAF)
Show SMILES CC(C)[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccccc1)C(C)C)[C@@H](C)O)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C65H83N11O15/c1-36(2)53(62(87)67-34-51(78)75-28-18-27-49(75)60(85)69-46(30-41-21-12-8-13-22-41)58(83)68-38(5)56(81)71-48(65(90)91)31-42-23-14-9-15-24-42)72-59(84)47(33-52(79)80)70-63(88)55(39(6)77)74-61(86)50-32-43-25-16-17-26-44(43)35-76(50)64(89)54(37(3)4)73-57(82)45(66)29-40-19-10-7-11-20-40/h7-17,19-26,36-39,45-50,53-55,77H,18,27-35,66H2,1-6H3,(H,67,87)(H,68,83)(H,69,85)(H,70,88)(H,71,81)(H,72,84)(H,73,82)(H,74,86)(H,79,80)(H,90,91)/t38-,39+,45-,46-,47-,48-,49-,50-,53-,54-,55-/m0/s1
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Article
PubMed
0.0200n/an/an/an/an/an/an/an/a



University of Leipzig

Curated by ChEMBL


Assay Description
Displacement of [3H-propionyl-K24] from halphaCGRP expressed in human neuroblastoma SK-N-MC cells


J Med Chem 49: 616-24 (2006)


Article DOI: 10.1021/jm050613s
BindingDB Entry DOI: 10.7270/Q280526H
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 4


(Homo sapiens (Human))
BDBM50532410
PNG
(CHEMBL4456247)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](N)CCCC[C@@H](N)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)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O |r|
Show InChI InChI=1S/C80H124N26O16/c1-43(2)37-61(73(119)97-55(13-7-33-93-77(85)86)69(115)101-59(65(83)111)39-45-17-25-49(107)26-18-45)105-71(117)57(15-9-35-95-79(89)90)99-75(121)63(41-47-21-29-51(109)30-22-47)103-67(113)53(81)11-5-6-12-54(82)68(114)104-64(42-48-23-31-52(110)32-24-48)76(122)100-58(16-10-36-96-80(91)92)72(118)106-62(38-44(3)4)74(120)98-56(14-8-34-94-78(87)88)70(116)102-60(66(84)112)40-46-19-27-50(108)28-20-46/h17-32,43-44,53-64,107-110H,5-16,33-42,81-82H2,1-4H3,(H2,83,111)(H2,84,112)(H,97,119)(H,98,120)(H,99,121)(H,100,122)(H,101,115)(H,102,116)(H,103,113)(H,104,114)(H,105,117)(H,106,118)(H4,85,86,93)(H4,87,88,94)(H4,89,90,95)(H4,91,92,96)/t53-,54-,55+,56+,57+,58+,59+,60+,61+,62+,63+,64+/m1/s1
PDB

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0.180n/an/an/an/an/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Displacement of [3H]18 from human NPY Y4 receptor expressed in CHO cells co-expressing Gqi5-mtAEQ after 90 mins by liquid scintillation counting


J Med Chem 59: 6045-58 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00309
BindingDB Entry DOI: 10.7270/Q25T3Q08
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 4


(Homo sapiens (Human))
BDBM50535849
PNG
(CHEMBL4522438)
Show SMILES CCC(=O)N[C@@H](CCCC[C@H](N)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)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 |r|
Show InChI InChI=1S/C83H128N26O17/c1-6-67(114)99-56(71(118)109-66(44-50-25-33-54(113)34-26-50)79(126)103-60(18-12-38-98-83(93)94)75(122)108-64(40-46(4)5)77(124)101-58(16-10-36-96-81(89)90)73(120)105-62(69(86)116)42-48-21-29-52(111)30-22-48)14-8-7-13-55(84)70(117)106-65(43-49-23-31-53(112)32-24-49)78(125)102-59(17-11-37-97-82(91)92)74(121)107-63(39-45(2)3)76(123)100-57(15-9-35-95-80(87)88)72(119)104-61(68(85)115)41-47-19-27-51(110)28-20-47/h19-34,45-46,55-66,110-113H,6-18,35-44,84H2,1-5H3,(H2,85,115)(H2,86,116)(H,99,114)(H,100,123)(H,101,124)(H,102,125)(H,103,126)(H,104,119)(H,105,120)(H,106,117)(H,107,121)(H,108,122)(H,109,118)(H4,87,88,95)(H4,89,90,96)(H4,91,92,97)(H4,93,94,98)/t55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-/m0/s1
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0.320n/an/an/an/an/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Displacement of [3H]18 from human NPY Y4 receptor expressed in CHO cells co-expressing Gqi5-mtAEQ after 90 mins by liquid scintillation counting


J Med Chem 59: 6045-58 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00309
BindingDB Entry DOI: 10.7270/Q25T3Q08
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 4


(Homo sapiens (Human))
BDBM50528183
PNG
(CHEMBL4540843)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(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(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCSC)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 |r|
Show InChI InChI=1S/C185H287N53O54S2/c1-20-92(10)144(175(286)228-125(84-137(190)248)164(275)215-115(64-75-294-19)159(270)222-121(78-90(6)7)167(278)232-145(98(16)239)176(287)219-116(33-24-68-203-185(198)199)178(289)236-71-27-36-131(236)170(281)216-110(32-23-67-202-184(196)197)154(265)220-118(147(191)258)79-100-39-47-104(241)48-40-100)231-168(279)123(81-102-43-51-106(243)52-44-102)225-155(266)109(31-22-66-201-183(194)195)211-153(264)108(30-21-65-200-182(192)193)212-162(273)119(76-88(2)3)223-166(277)127(86-142(256)257)221-150(261)95(13)205-148(259)94(12)207-160(271)122(80-101-41-49-105(242)50-42-101)224-158(269)111(55-59-134(187)245)210-149(260)96(14)206-152(263)114(63-74-293-18)214-156(267)112(56-60-135(188)246)213-157(268)113(57-61-139(250)251)217-171(282)132-37-29-73-238(132)181(292)146(99(17)240)233-151(262)97(15)208-161(272)124(83-136(189)247)226-165(276)126(85-141(254)255)209-138(249)87-204-169(280)129-34-25-70-235(129)180(291)128(82-103-45-53-107(244)54-46-103)229-174(285)143(91(8)9)230-173(284)133-38-28-72-237(133)179(290)117(58-62-140(252)253)218-163(274)120(77-89(4)5)227-172(283)130-35-26-69-234(130)177(288)93(11)186/h39-54,88-99,108-133,143-146,239-244H,20-38,55-87,186H2,1-19H3,(H2,187,245)(H2,188,246)(H2,189,247)(H2,190,248)(H2,191,258)(H,204,280)(H,205,259)(H,206,263)(H,207,271)(H,208,272)(H,209,249)(H,210,260)(H,211,264)(H,212,273)(H,213,268)(H,214,267)(H,215,275)(H,216,281)(H,217,282)(H,218,274)(H,219,287)(H,220,265)(H,221,261)(H,222,270)(H,223,277)(H,224,269)(H,225,266)(H,226,276)(H,227,283)(H,228,286)(H,229,285)(H,230,284)(H,231,279)(H,232,278)(H,233,262)(H,250,251)(H,252,253)(H,254,255)(H,256,257)(H4,192,193,200)(H4,194,195,201)(H4,196,197,202)(H4,198,199,203)/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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0.370n/an/an/an/an/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Displacement of [3H]18 from human NPY Y4 receptor expressed in CHO cells co-expressing Gqi5-mtAEQ after 90 mins by liquid scintillation counting


J Med Chem 59: 6045-58 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00309
BindingDB Entry DOI: 10.7270/Q25T3Q08
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 4


(Homo sapiens (Human))
BDBM50532410
PNG
(CHEMBL4456247)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](N)CCCC[C@@H](N)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)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O |r|
Show InChI InChI=1S/C80H124N26O16/c1-43(2)37-61(73(119)97-55(13-7-33-93-77(85)86)69(115)101-59(65(83)111)39-45-17-25-49(107)26-18-45)105-71(117)57(15-9-35-95-79(89)90)99-75(121)63(41-47-21-29-51(109)30-22-47)103-67(113)53(81)11-5-6-12-54(82)68(114)104-64(42-48-23-31-52(110)32-24-48)76(122)100-58(16-10-36-96-80(91)92)72(118)106-62(38-44(3)4)74(120)98-56(14-8-34-94-78(87)88)70(116)102-60(66(84)112)40-46-19-27-50(108)28-20-46/h17-32,43-44,53-64,107-110H,5-16,33-42,81-82H2,1-4H3,(H2,83,111)(H2,84,112)(H,97,119)(H,98,120)(H,99,121)(H,100,122)(H,101,115)(H,102,116)(H,103,113)(H,104,114)(H,105,117)(H,106,118)(H4,85,86,93)(H4,87,88,94)(H4,89,90,95)(H4,91,92,96)/t53-,54-,55+,56+,57+,58+,59+,60+,61+,62+,63+,64+/m1/s1
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0.450n/an/an/an/an/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Displacement of [3H](2R,7R)-10 from human NPY Y4 receptor expressed in CHO cells co-expressing Gqi5-mtAEQ after 90 mins in presence of sodium-free HE...


J Med Chem 59: 6045-58 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00309
BindingDB Entry DOI: 10.7270/Q25T3Q08
More data for this
Ligand-Target Pair
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
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
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
Neuropeptide Y receptor type 4


(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 |r,wU:4.4,30.39,86.87,88.90,61.62,71.73,69.70,53.54,8.17,wD:62.64,103.104,20.28,2.2,75.76,45.46,92.93,(28.14,3.58,;26.8,2.79,;26.8,1.28,;28.14,.5,;25.45,.5,;24.13,1.26,;22.82,.5,;22.82,-1.03,;21.47,1.28,;21.47,2.84,;22.82,3.61,;24.15,2.81,;25.51,3.55,;25.52,5.11,;26.85,5.87,;24.18,5.88,;22.83,5.12,;20.15,.52,;18.81,1.29,;18.81,2.85,;17.49,.53,;17.49,-1,;16.14,-1.78,;15.96,-3.29,;14.44,-3.6,;13.68,-2.26,;14.73,-1.12,;16.14,1.3,;16.14,2.86,;17.49,3.64,;14.83,3.62,;14.83,5.18,;13.51,5.94,;13.51,7.49,;12.19,8.26,;12.19,9.8,;13.53,10.59,;10.87,10.56,;13.51,2.86,;12.17,3.63,;10.84,2.86,;12.17,5.18,;25.45,-1.03,;26.8,-1.81,;24.11,-1.81,;24.11,-3.36,;22.79,-4.13,;21.44,-3.35,;20.13,-4.11,;21.44,-1.79,;25.45,-4.14,;25.45,-5.66,;26.77,-3.38,;28.1,-4.14,;29.44,-3.37,;30.78,-4.15,;30.78,-5.7,;32.1,-3.38,;28.1,-5.68,;26.76,-6.45,;29.43,-6.45,;29.43,-8,;30.75,-8.76,;30.75,-10.31,;32.07,-8,;32.07,-6.48,;28.09,-8.77,;26.74,-8,;28.09,-10.3,;26.74,-11.07,;25.33,-10.68,;24.82,-12.11,;23.43,-12.78,;22.15,-11.92,;23.32,-14.31,;21.94,-14.99,;20.66,-14.13,;20.77,-12.59,;19.5,-11.73,;19.6,-10.2,;18.33,-9.34,;18.43,-7.8,;16.95,-10.01,;21.83,-16.52,;23.11,-17.38,;20.45,-17.2,;20.34,-18.73,;19.17,-19.74,;20.1,-20.9,;19.9,-22.42,;18.53,-23.1,;21.18,-23.28,;21.07,-24.82,;19.69,-25.49,;18.41,-24.63,;17.04,-25.31,;16.93,-26.84,;15.55,-27.52,;14.27,-26.65,;15.44,-29.05,;22.35,-25.68,;22.24,-27.21,;23.73,-25,;25.01,-25.86,;24.9,-27.4,;26.18,-28.25,;26.07,-29.79,;27.34,-30.65,;28.73,-29.99,;30,-30.86,;28.84,-28.45,;27.56,-27.59,;26.39,-25.19,;27.67,-26.05,;26.5,-23.65,;21.37,-19.92,;22.55,-18.93,;22.33,-21.11,;26.3,-12.64,;25.82,-14.1,;27.77,-13.09,)|
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
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
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 4


(Homo sapiens (Human))
BDBM50441965
PNG
(CHEMBL2440192)
Show SMILES [#6]-[#6]-[#6@H](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#16]-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#7]-[#6](-[#7])=[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#16]-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6@H](-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6@H](-[#6]-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6@H](-[#6])-[#7])-[#6](-[#6])-[#6])-[#6@@H](-[#6])-[#8])-[#6@@H](-[#6])-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#7]-[#6](-[#7])=[#7])-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#7]-[#6](-[#7])=[#7])-[#6](=O)-[#7]-[#6@H](-[#7])-[#6]-c1ccc(-[#8])cc1 |r|
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
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
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
Neuropeptide Y receptor type 4


(Homo sapiens (Human))
BDBM50528183
PNG
(CHEMBL4540843)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(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(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCSC)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 |r|
Show InChI InChI=1S/C185H287N53O54S2/c1-20-92(10)144(175(286)228-125(84-137(190)248)164(275)215-115(64-75-294-19)159(270)222-121(78-90(6)7)167(278)232-145(98(16)239)176(287)219-116(33-24-68-203-185(198)199)178(289)236-71-27-36-131(236)170(281)216-110(32-23-67-202-184(196)197)154(265)220-118(147(191)258)79-100-39-47-104(241)48-40-100)231-168(279)123(81-102-43-51-106(243)52-44-102)225-155(266)109(31-22-66-201-183(194)195)211-153(264)108(30-21-65-200-182(192)193)212-162(273)119(76-88(2)3)223-166(277)127(86-142(256)257)221-150(261)95(13)205-148(259)94(12)207-160(271)122(80-101-41-49-105(242)50-42-101)224-158(269)111(55-59-134(187)245)210-149(260)96(14)206-152(263)114(63-74-293-18)214-156(267)112(56-60-135(188)246)213-157(268)113(57-61-139(250)251)217-171(282)132-37-29-73-238(132)181(292)146(99(17)240)233-151(262)97(15)208-161(272)124(83-136(189)247)226-165(276)126(85-141(254)255)209-138(249)87-204-169(280)129-34-25-70-235(129)180(291)128(82-103-45-53-107(244)54-46-103)229-174(285)143(91(8)9)230-173(284)133-38-28-72-237(133)179(290)117(58-62-140(252)253)218-163(274)120(77-89(4)5)227-172(283)130-35-26-69-234(130)177(288)93(11)186/h39-54,88-99,108-133,143-146,239-244H,20-38,55-87,186H2,1-19H3,(H2,187,245)(H2,188,246)(H2,189,247)(H2,190,248)(H2,191,258)(H,204,280)(H,205,259)(H,206,263)(H,207,271)(H,208,272)(H,209,249)(H,210,260)(H,211,264)(H,212,273)(H,213,268)(H,214,267)(H,215,275)(H,216,281)(H,217,282)(H,218,274)(H,219,287)(H,220,265)(H,221,261)(H,222,270)(H,223,277)(H,224,269)(H,225,266)(H,226,276)(H,227,283)(H,228,286)(H,229,285)(H,230,284)(H,231,279)(H,232,278)(H,233,262)(H,250,251)(H,252,253)(H,254,255)(H,256,257)(H4,192,193,200)(H4,194,195,201)(H4,196,197,202)(H4,198,199,203)/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
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
Article
PubMed
0.650n/an/an/an/an/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Displacement of [3H](2R,7R)-10 from human NPY Y4 receptor expressed in CHO cells co-expressing Gqi5-mtAEQ after 90 mins in presence of sodium-free HE...


J Med Chem 59: 6045-58 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00309
BindingDB Entry DOI: 10.7270/Q25T3Q08
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 4


(Homo sapiens (Human))
BDBM50535853
PNG
(CHEMBL3787713)
Show SMILES CCC(=O)NCCCCNC(=O)\N=C(/N)NCCC[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CCCCCCC(=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)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 |r|
Show InChI InChI=1S/C88H136N26O18/c1-6-71(119)98-39-11-12-40-103-88(132)114-87(97)102-44-16-20-64(79(127)113-68(46-52(4)5)81(129)107-62(18-14-42-100-85(93)94)77(125)111-66(75(90)123)48-54-25-33-58(116)34-26-54)109-83(131)70(50-56-29-37-60(118)38-30-56)105-73(121)22-10-8-7-9-21-72(120)104-69(49-55-27-35-59(117)36-28-55)82(130)108-63(19-15-43-101-86(95)96)78(126)112-67(45-51(2)3)80(128)106-61(17-13-41-99-84(91)92)76(124)110-65(74(89)122)47-53-23-31-57(115)32-24-53/h23-38,51-52,61-70,115-118H,6-22,39-50H2,1-5H3,(H2,89,122)(H2,90,123)(H,98,119)(H,104,120)(H,105,121)(H,106,128)(H,107,129)(H,108,130)(H,109,131)(H,110,124)(H,111,125)(H,112,126)(H,113,127)(H4,91,92,99)(H4,93,94,100)(H4,95,96,101)(H4,97,102,103,114,132)/t61-,62-,63-,64-,65-,66-,67-,68-,69-,70-/m0/s1
PDB

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KEGG

UniProtKB/SwissProt

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UniChem
Article
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0.660n/an/an/an/an/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Displacement of [3H]18 from human NPY Y4 receptor expressed in CHO cells co-expressing Gqi5-mtAEQ after 90 mins by liquid scintillation counting


J Med Chem 59: 6045-58 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00309
BindingDB Entry DOI: 10.7270/Q25T3Q08
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor/Receptor activity-modifying protein 1


(Homo sapiens (Human))
BDBM50180777
PNG
(CHEMBL427759 | FV((1R,2R,3R)-beta-aminocyclopropan...)
Show SMILES COC(=O)[C@H]1[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccccc2)C(C)C)[C@@H]1C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C(C)C)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C61H81N11O17/c1-31(2)47(57(83)63-30-43(74)72-25-17-24-42(72)55(81)65-39(27-36-20-13-9-14-21-36)53(79)64-33(5)51(77)67-41(60(86)87)28-37-22-15-10-16-23-37)69-54(80)40(29-44(75)76)66-59(85)49(34(6)73)70-56(82)45-46(61(88)89-7)50(45)71-58(84)48(32(3)4)68-52(78)38(62)26-35-18-11-8-12-19-35/h8-16,18-23,31-34,38-42,45-50,73H,17,24-30,62H2,1-7H3,(H,63,83)(H,64,79)(H,65,81)(H,66,85)(H,67,77)(H,68,78)(H,69,80)(H,70,82)(H,71,84)(H,75,76)(H,86,87)/t33-,34+,38-,39-,40-,41-,42-,45+,46+,47-,48-,49-,50+/m0/s1
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
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Article
PubMed
0.700n/an/an/an/an/an/an/an/a



University of Leipzig

Curated by ChEMBL


Assay Description
Displacement of [3H-propionyl-K24] from halphaCGRP expressed in human neuroblastoma SK-N-MC cells


J Med Chem 49: 616-24 (2006)


Article DOI: 10.1021/jm050613s
BindingDB Entry DOI: 10.7270/Q280526H
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
PDB

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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 4


(Homo sapiens (Human))
BDBM50535849
PNG
(CHEMBL4522438)
Show SMILES CCC(=O)N[C@@H](CCCC[C@H](N)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)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 |r|
Show InChI InChI=1S/C83H128N26O17/c1-6-67(114)99-56(71(118)109-66(44-50-25-33-54(113)34-26-50)79(126)103-60(18-12-38-98-83(93)94)75(122)108-64(40-46(4)5)77(124)101-58(16-10-36-96-81(89)90)73(120)105-62(69(86)116)42-48-21-29-52(111)30-22-48)14-8-7-13-55(84)70(117)106-65(43-49-23-31-53(112)32-24-49)78(125)102-59(17-11-37-97-82(91)92)74(121)107-63(39-45(2)3)76(123)100-57(15-9-35-95-80(87)88)72(119)104-61(68(85)115)41-47-19-27-51(110)28-20-47/h19-34,45-46,55-66,110-113H,6-18,35-44,84H2,1-5H3,(H2,85,115)(H2,86,116)(H,99,114)(H,100,123)(H,101,124)(H,102,125)(H,103,126)(H,104,119)(H,105,120)(H,106,117)(H,107,121)(H,108,122)(H,109,118)(H4,87,88,95)(H4,89,90,96)(H4,91,92,97)(H4,93,94,98)/t55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-/m0/s1
PDB

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0.870n/an/an/an/an/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Displacement of [3H](2R,7R)-10 from human NPY Y4 receptor expressed in CHO cells co-expressing Gqi5-mtAEQ after 90 mins in presence of sodium-free HE...


J Med Chem 59: 6045-58 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00309
BindingDB Entry DOI: 10.7270/Q25T3Q08
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 4


(Homo sapiens (Human))
BDBM50535858
PNG
(CHEMBL4577373)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)C(N)CCCCC(N)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)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O |r|
Show InChI InChI=1S/C80H124N26O16/c1-43(2)37-61(73(119)97-55(13-7-33-93-77(85)86)69(115)101-59(65(83)111)39-45-17-25-49(107)26-18-45)105-71(117)57(15-9-35-95-79(89)90)99-75(121)63(41-47-21-29-51(109)30-22-47)103-67(113)53(81)11-5-6-12-54(82)68(114)104-64(42-48-23-31-52(110)32-24-48)76(122)100-58(16-10-36-96-80(91)92)72(118)106-62(38-44(3)4)74(120)98-56(14-8-34-94-78(87)88)70(116)102-60(66(84)112)40-46-19-27-50(108)28-20-46/h17-32,43-44,53-64,107-110H,5-16,33-42,81-82H2,1-4H3,(H2,83,111)(H2,84,112)(H,97,119)(H,98,120)(H,99,121)(H,100,122)(H,101,115)(H,102,116)(H,103,113)(H,104,114)(H,105,117)(H,106,118)(H4,85,86,93)(H4,87,88,94)(H4,89,90,95)(H4,91,92,96)/t53?,54?,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-/m0/s1
PDB

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1.10n/an/an/an/an/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Displacement of [3H](2R,7R)-10 from human NPY Y4 receptor expressed in CHO cells co-expressing Gqi5-mtAEQ after 90 mins in presence of sodium-free HE...


J Med Chem 59: 6045-58 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00309
BindingDB Entry DOI: 10.7270/Q25T3Q08
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 4


(Homo sapiens (Human))
BDBM50535853
PNG
(CHEMBL3787713)
Show SMILES CCC(=O)NCCCCNC(=O)\N=C(/N)NCCC[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CCCCCCC(=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)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 |r|
Show InChI InChI=1S/C88H136N26O18/c1-6-71(119)98-39-11-12-40-103-88(132)114-87(97)102-44-16-20-64(79(127)113-68(46-52(4)5)81(129)107-62(18-14-42-100-85(93)94)77(125)111-66(75(90)123)48-54-25-33-58(116)34-26-54)109-83(131)70(50-56-29-37-60(118)38-30-56)105-73(121)22-10-8-7-9-21-72(120)104-69(49-55-27-35-59(117)36-28-55)82(130)108-63(19-15-43-101-86(95)96)78(126)112-67(45-51(2)3)80(128)106-61(17-13-41-99-84(91)92)76(124)110-65(74(89)122)47-53-23-31-57(115)32-24-53/h23-38,51-52,61-70,115-118H,6-22,39-50H2,1-5H3,(H2,89,122)(H2,90,123)(H,98,119)(H,104,120)(H,105,121)(H,106,128)(H,107,129)(H,108,130)(H,109,131)(H,110,124)(H,111,125)(H,112,126)(H,113,127)(H4,91,92,99)(H4,93,94,100)(H4,95,96,101)(H4,97,102,103,114,132)/t61-,62-,63-,64-,65-,66-,67-,68-,69-,70-/m0/s1
PDB

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1.20n/an/an/an/an/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Displacement of [3H](2R,7R)-10 from human NPY Y4 receptor expressed in CHO cells co-expressing Gqi5-mtAEQ after 90 mins in presence of sodium-free HE...


J Med Chem 59: 6045-58 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00309
BindingDB Entry DOI: 10.7270/Q25T3Q08
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 4


(Homo sapiens (Human))
BDBM50535854
PNG
(CHEMBL3787712)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CCCCCCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCN\C(N)=N\C(=O)NCCCCN)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)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O |r|
Show InChI InChI=1S/C85H132N26O17/c1-49(2)43-65(77(124)103-59(15-11-39-96-81(89)90)73(120)107-63(71(87)118)45-51-21-29-55(112)30-22-51)109-75(122)61(17-13-41-98-83(93)94)105-79(126)67(47-53-25-33-57(114)34-26-53)101-69(116)19-7-5-6-8-20-70(117)102-68(48-54-27-35-58(115)36-28-54)80(127)106-62(18-14-42-99-84(95)111-85(128)100-38-10-9-37-86)76(123)110-66(44-50(3)4)78(125)104-60(16-12-40-97-82(91)92)74(121)108-64(72(88)119)46-52-23-31-56(113)32-24-52/h21-36,49-50,59-68,112-115H,5-20,37-48,86H2,1-4H3,(H2,87,118)(H2,88,119)(H,101,116)(H,102,117)(H,103,124)(H,104,125)(H,105,126)(H,106,127)(H,107,120)(H,108,121)(H,109,122)(H,110,123)(H4,89,90,96)(H4,91,92,97)(H4,93,94,98)(H4,95,99,100,111,128)/t59-,60-,61-,62-,63-,64-,65-,66-,67-,68-/m0/s1
PDB

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1.20n/an/an/an/an/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Displacement of [3H](2R,7R)-10 from human NPY Y4 receptor expressed in CHO cells co-expressing Gqi5-mtAEQ after 90 mins in presence of sodium-free HE...


J Med Chem 59: 6045-58 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00309
BindingDB Entry DOI: 10.7270/Q25T3Q08
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 4


(Homo sapiens (Human))
BDBM50099204
PNG
(1229U91 | CHEMBL409762 | GR-231118 | Ile-Glu-Pro-D...)
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

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PubMed
1.30n/an/an/an/an/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Displacement of [3H]18 from human NPY Y4 receptor expressed in CHO cells co-expressing Gqi5-mtAEQ after 90 mins by liquid scintillation counting


J Med Chem 59: 6045-58 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00309
BindingDB Entry DOI: 10.7270/Q25T3Q08
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 4


(Homo sapiens (Human))
BDBM50099204
PNG
(1229U91 | CHEMBL409762 | GR-231118 | Ile-Glu-Pro-D...)
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
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1.60n/an/an/an/an/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Displacement of [3H](2R,7R)-10 from human NPY Y4 receptor expressed in CHO cells co-expressing Gqi5-mtAEQ after 90 mins in presence of sodium-free HE...


J Med Chem 59: 6045-58 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00309
BindingDB Entry DOI: 10.7270/Q25T3Q08
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor/Receptor activity-modifying protein 1


(Homo sapiens (Human))
BDBM50180776
PNG
(CHEMBL2371892 | FVPTDVG-Tic-FAF-Tic)
Show SMILES CC(C)[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccccc1)C(C)C)[C@@H](C)O)C(=O)NCC(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1Cc2ccccc2C[C@H]1C(O)=O
Show InChI InChI=1S/C75H92N12O16/c1-42(2)62(82-68(95)55(38-61(90)91)80-72(99)64(45(6)88)84-69(96)57-31-20-32-85(57)74(101)63(43(3)4)83-66(93)53(76)33-46-21-10-7-11-22-46)71(98)77-39-60(89)86-40-51-29-18-16-27-49(51)36-58(86)70(97)79-54(34-47-23-12-8-13-24-47)67(94)78-44(5)65(92)81-56(35-48-25-14-9-15-26-48)73(100)87-41-52-30-19-17-28-50(52)37-59(87)75(102)103/h7-19,21-30,42-45,53-59,62-64,88H,20,31-41,76H2,1-6H3,(H,77,98)(H,78,94)(H,79,97)(H,80,99)(H,81,92)(H,82,95)(H,83,93)(H,84,96)(H,90,91)(H,102,103)/t44-,45+,53-,54-,55-,56-,57-,58-,59-,62-,63-,64-/m0/s1
PDB

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UniProtKB/SwissProt

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1.80n/an/an/an/an/an/an/an/a



University of Leipzig

Curated by ChEMBL


Assay Description
Displacement of [3H-propionyl-K24] from halphaCGRP expressed in human neuroblastoma SK-N-MC cells


J Med Chem 49: 616-24 (2006)


Article DOI: 10.1021/jm050613s
BindingDB Entry DOI: 10.7270/Q280526H
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor/Receptor activity-modifying protein 1


(Homo sapiens (Human))
BDBM50180776
PNG
(CHEMBL2371892 | FVPTDVG-Tic-FAF-Tic)
Show SMILES CC(C)[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccccc1)C(C)C)[C@@H](C)O)C(=O)NCC(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1Cc2ccccc2C[C@H]1C(O)=O
Show InChI InChI=1S/C75H92N12O16/c1-42(2)62(82-68(95)55(38-61(90)91)80-72(99)64(45(6)88)84-69(96)57-31-20-32-85(57)74(101)63(43(3)4)83-66(93)53(76)33-46-21-10-7-11-22-46)71(98)77-39-60(89)86-40-51-29-18-16-27-49(51)36-58(86)70(97)79-54(34-47-23-12-8-13-24-47)67(94)78-44(5)65(92)81-56(35-48-25-14-9-15-26-48)73(100)87-41-52-30-19-17-28-50(52)37-59(87)75(102)103/h7-19,21-30,42-45,53-59,62-64,88H,20,31-41,76H2,1-6H3,(H,77,98)(H,78,94)(H,79,97)(H,80,99)(H,81,92)(H,82,95)(H,83,93)(H,84,96)(H,90,91)(H,102,103)/t44-,45+,53-,54-,55-,56-,57-,58-,59-,62-,63-,64-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

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1.80n/an/an/an/an/an/an/an/a



University of Leipzig

Curated by ChEMBL


Assay Description
Displacement of [125I-Tyr10] from halphaCGRP expressed in human neuroblastoma SK-N-MC cells


J Med Chem 49: 616-24 (2006)


Article DOI: 10.1021/jm050613s
BindingDB Entry DOI: 10.7270/Q280526H
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 4


(Homo sapiens (Human))
BDBM50532410
PNG
(CHEMBL4456247)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](N)CCCC[C@@H](N)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)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O |r|
Show InChI InChI=1S/C80H124N26O16/c1-43(2)37-61(73(119)97-55(13-7-33-93-77(85)86)69(115)101-59(65(83)111)39-45-17-25-49(107)26-18-45)105-71(117)57(15-9-35-95-79(89)90)99-75(121)63(41-47-21-29-51(109)30-22-47)103-67(113)53(81)11-5-6-12-54(82)68(114)104-64(42-48-23-31-52(110)32-24-48)76(122)100-58(16-10-36-96-80(91)92)72(118)106-62(38-44(3)4)74(120)98-56(14-8-34-94-78(87)88)70(116)102-60(66(84)112)40-46-19-27-50(108)28-20-46/h17-32,43-44,53-64,107-110H,5-16,33-42,81-82H2,1-4H3,(H2,83,111)(H2,84,112)(H,97,119)(H,98,120)(H,99,121)(H,100,122)(H,101,115)(H,102,116)(H,103,113)(H,104,114)(H,105,117)(H,106,118)(H4,85,86,93)(H4,87,88,94)(H4,89,90,95)(H4,91,92,96)/t53-,54-,55+,56+,57+,58+,59+,60+,61+,62+,63+,64+/m1/s1
PDB

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KEGG

UniProtKB/SwissProt

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2n/an/an/an/an/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Displacement of [3H](2R,7R)-10 from human NPY Y4 receptor expressed in CHO cells co-expressing Gqi5-mtAEQ after 90 mins in presence of L-15 medium by...


J Med Chem 59: 6045-58 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00309
BindingDB Entry DOI: 10.7270/Q25T3Q08
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(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
KEGG

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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 4


(Homo sapiens (Human))
BDBM50532420
PNG
(CHEMBL4475071)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CCCC[C@H](N)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)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O |r|
Show InChI InChI=1S/C80H124N26O16/c1-43(2)37-61(73(119)97-55(13-7-33-93-77(85)86)69(115)101-59(65(83)111)39-45-17-25-49(107)26-18-45)105-71(117)57(15-9-35-95-79(89)90)99-75(121)63(41-47-21-29-51(109)30-22-47)103-67(113)53(81)11-5-6-12-54(82)68(114)104-64(42-48-23-31-52(110)32-24-48)76(122)100-58(16-10-36-96-80(91)92)72(118)106-62(38-44(3)4)74(120)98-56(14-8-34-94-78(87)88)70(116)102-60(66(84)112)40-46-19-27-50(108)28-20-46/h17-32,43-44,53-64,107-110H,5-16,33-42,81-82H2,1-4H3,(H2,83,111)(H2,84,112)(H,97,119)(H,98,120)(H,99,121)(H,100,122)(H,101,115)(H,102,116)(H,103,113)(H,104,114)(H,105,117)(H,106,118)(H4,85,86,93)(H4,87,88,94)(H4,89,90,95)(H4,91,92,96)/t53-,54-,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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2.30n/an/an/an/an/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Displacement of [3H](2R,7R)-10 from human NPY Y4 receptor expressed in CHO cells co-expressing Gqi5-mtAEQ after 90 mins in presence of sodium-free HE...


J Med Chem 59: 6045-58 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00309
BindingDB Entry DOI: 10.7270/Q25T3Q08
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 4


(Homo sapiens (Human))
BDBM50535855
PNG
(CHEMBL4549208)
Show SMILES CCC(=O)N[C@H](CCCC[C@@H](N)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)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 |r|
Show InChI InChI=1S/C83H128N26O17/c1-6-67(114)99-56(71(118)109-66(44-50-25-33-54(113)34-26-50)79(126)103-60(18-12-38-98-83(93)94)75(122)108-64(40-46(4)5)77(124)101-58(16-10-36-96-81(89)90)73(120)105-62(69(86)116)42-48-21-29-52(111)30-22-48)14-8-7-13-55(84)70(117)106-65(43-49-23-31-53(112)32-24-49)78(125)102-59(17-11-37-97-82(91)92)74(121)107-63(39-45(2)3)76(123)100-57(15-9-35-95-80(87)88)72(119)104-61(68(85)115)41-47-19-27-51(110)28-20-47/h19-34,45-46,55-66,110-113H,6-18,35-44,84H2,1-5H3,(H2,85,115)(H2,86,116)(H,99,114)(H,100,123)(H,101,124)(H,102,125)(H,103,126)(H,104,119)(H,105,120)(H,106,117)(H,107,121)(H,108,122)(H,109,118)(H4,87,88,95)(H4,89,90,96)(H4,91,92,97)(H4,93,94,98)/t55-,56-,57-,58+,59-,60+,61-,62+,63-,64+,65-,66+/m1/s1
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2.80n/an/an/an/an/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Displacement of [3H](2R,7R)-10 from human NPY Y4 receptor expressed in CHO cells co-expressing Gqi5-mtAEQ after 90 mins in presence of sodium-free HE...


J Med Chem 59: 6045-58 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00309
BindingDB Entry DOI: 10.7270/Q25T3Q08
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 4


(Homo sapiens (Human))
BDBM50535850
PNG
(CHEMBL3787766)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CCCCCCC(=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)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O |r|
Show InChI InChI=1S/C80H122N24O16/c1-45(2)39-61(73(117)97-55(13-9-35-91-77(83)84)69(113)101-59(67(81)111)41-47-19-27-51(105)28-20-47)103-71(115)57(15-11-37-93-79(87)88)99-75(119)63(43-49-23-31-53(107)32-24-49)95-65(109)17-7-5-6-8-18-66(110)96-64(44-50-25-33-54(108)34-26-50)76(120)100-58(16-12-38-94-80(89)90)72(116)104-62(40-46(3)4)74(118)98-56(14-10-36-92-78(85)86)70(114)102-60(68(82)112)42-48-21-29-52(106)30-22-48/h19-34,45-46,55-64,105-108H,5-18,35-44H2,1-4H3,(H2,81,111)(H2,82,112)(H,95,109)(H,96,110)(H,97,117)(H,98,118)(H,99,119)(H,100,120)(H,101,113)(H,102,114)(H,103,115)(H,104,116)(H4,83,84,91)(H4,85,86,92)(H4,87,88,93)(H4,89,90,94)/t55-,56-,57-,58-,59-,60-,61-,62-,63-,64-/m0/s1
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3.5n/an/an/an/an/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Displacement of [3H](2R,7R)-10 from human NPY Y4 receptor expressed in CHO cells co-expressing Gqi5-mtAEQ after 90 mins in presence of sodium-free HE...


J Med Chem 59: 6045-58 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00309
BindingDB Entry DOI: 10.7270/Q25T3Q08
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 4


(Homo sapiens (Human))
BDBM50535849
PNG
(CHEMBL4522438)
Show SMILES CCC(=O)N[C@@H](CCCC[C@H](N)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)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 |r|
Show InChI InChI=1S/C83H128N26O17/c1-6-67(114)99-56(71(118)109-66(44-50-25-33-54(113)34-26-50)79(126)103-60(18-12-38-98-83(93)94)75(122)108-64(40-46(4)5)77(124)101-58(16-10-36-96-81(89)90)73(120)105-62(69(86)116)42-48-21-29-52(111)30-22-48)14-8-7-13-55(84)70(117)106-65(43-49-23-31-53(112)32-24-49)78(125)102-59(17-11-37-97-82(91)92)74(121)107-63(39-45(2)3)76(123)100-57(15-9-35-95-80(87)88)72(119)104-61(68(85)115)41-47-19-27-51(110)28-20-47/h19-34,45-46,55-66,110-113H,6-18,35-44,84H2,1-5H3,(H2,85,115)(H2,86,116)(H,99,114)(H,100,123)(H,101,124)(H,102,125)(H,103,126)(H,104,119)(H,105,120)(H,106,117)(H,107,121)(H,108,122)(H,109,118)(H4,87,88,95)(H4,89,90,96)(H4,91,92,97)(H4,93,94,98)/t55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-/m0/s1
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6.30n/an/an/an/an/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Displacement of [3H](2R,7R)-10 from human NPY Y4 receptor expressed in CHO cells co-expressing Gqi5-mtAEQ after 90 mins in presence of L-15 medium by...


J Med Chem 59: 6045-58 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00309
BindingDB Entry DOI: 10.7270/Q25T3Q08
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 |r,wU:30.39,8.17,2.2,45.46,61.62,76.77,96.97,wD:20.28,4.4,53.54,62.64,69.70,70.73,87.88,107.108,(19.2,-17.88,;19.2,-16.34,;20.54,-15.57,;21.87,-16.34,;20.54,-14.03,;19.2,-13.26,;17.86,-14.03,;17.86,-15.57,;16.54,-13.26,;16.54,-11.72,;17.86,-10.95,;19.2,-11.72,;20.54,-10.95,;20.54,-9.41,;21.87,-8.64,;19.2,-8.64,;17.86,-9.41,;15.2,-14.03,;13.87,-13.26,;13.87,-11.72,;12.53,-14.03,;12.53,-15.57,;13.87,-16.34,;15.27,-15.72,;16.3,-16.86,;15.53,-18.2,;14.03,-17.88,;11.2,-13.26,;9.87,-14.03,;9.87,-15.57,;8.53,-13.26,;8.53,-11.72,;9.87,-10.95,;9.87,-9.41,;11.2,-8.64,;11.2,-7.1,;9.87,-6.33,;12.53,-6.33,;7.2,-14.03,;5.87,-13.27,;4.53,-14.04,;5.86,-11.73,;21.87,-13.26,;21.87,-11.72,;23.2,-14.03,;24.53,-13.26,;24.53,-11.72,;25.87,-10.95,;27.21,-11.72,;25.87,-9.41,;25.87,-14.03,;25.87,-15.57,;27.21,-13.26,;28.54,-14.03,;28.54,-15.57,;29.87,-16.34,;29.87,-17.88,;31.2,-15.57,;29.87,-13.26,;29.87,-11.72,;31.2,-14.03,;32.54,-13.26,;32.54,-11.72,;33.88,-10.95,;31.2,-10.95,;31.2,-9.41,;33.88,-14.03,;33.88,-15.57,;35.2,-13.26,;36.54,-14.03,;36.54,-15.57,;35.2,-16.34,;37.87,-16.34,;37.87,-13.26,;37.87,-11.72,;39.21,-14.03,;40.54,-13.26,;40.54,-11.72,;41.87,-10.95,;41.87,-9.41,;43.21,-8.64,;43.21,-7.1,;41.87,-6.33,;44.54,-6.33,;41.87,-14.03,;41.87,-15.57,;43.21,-13.26,;44.54,-14.03,;44.54,-15.57,;45.88,-16.34,;45.88,-17.88,;44.54,-18.65,;47.21,-18.65,;45.88,-13.26,;45.88,-11.72,;47.21,-14.03,;48.54,-13.26,;48.54,-11.72,;49.88,-10.95,;49.88,-9.41,;51.21,-8.64,;51.21,-7.1,;49.88,-6.33,;52.54,-6.33,;49.88,-14.03,;49.88,-15.57,;51.21,-13.26,;52.54,-14.03,;52.54,-15.57,;53.87,-16.34,;55.21,-15.57,;56.55,-16.34,;56.55,-17.88,;57.88,-18.65,;55.21,-18.65,;53.87,-17.88,;53.88,-13.26,;55.21,-14.03,;53.88,-11.72,)|
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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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
Calcitonin gene-related peptide type 1 receptor/Receptor activity-modifying protein 1


(Homo sapiens (Human))
BDBM50180783
PNG
(CHEMBL385986 | FVATDVGPFAF)
Show SMILES CC(C)[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccccc1)C(C)C)[C@@H](C)O)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C58H79N11O15/c1-31(2)46(67-53(78)41(29-45(72)73)64-57(82)48(35(7)70)68-50(75)34(6)62-56(81)47(32(3)4)66-51(76)39(59)26-36-18-11-8-12-19-36)55(80)60-30-44(71)69-25-17-24-43(69)54(79)63-40(27-37-20-13-9-14-21-37)52(77)61-33(5)49(74)65-42(58(83)84)28-38-22-15-10-16-23-38/h8-16,18-23,31-35,39-43,46-48,70H,17,24-30,59H2,1-7H3,(H,60,80)(H,61,77)(H,62,81)(H,63,79)(H,64,82)(H,65,74)(H,66,76)(H,67,78)(H,68,75)(H,72,73)(H,83,84)/t33-,34-,35+,39-,40-,41-,42-,43-,46-,47-,48-/m0/s1
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8.40n/an/an/an/an/an/an/an/a



University of Leipzig

Curated by ChEMBL


Assay Description
Displacement of [3H-propionyl-K24] from halphaCGRP expressed in human neuroblastoma SK-N-MC cells


J Med Chem 49: 616-24 (2006)


Article DOI: 10.1021/jm050613s
BindingDB Entry DOI: 10.7270/Q280526H
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 4


(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 |r,wU:91.94,87.88,30.39,8.17,2.2,45.46,53.54,61.62,76.77,wD:95.97,106.108,20.28,4.4,62.64,69.70,70.73,(20.13,-29.15,;20.13,-27.61,;21.47,-26.84,;22.8,-27.61,;21.47,-25.3,;20.13,-24.53,;18.8,-25.3,;18.8,-26.84,;17.47,-24.53,;17.47,-22.98,;18.8,-22.21,;20.12,-22.98,;21.47,-22.21,;21.46,-20.67,;22.8,-19.89,;20.11,-19.9,;18.8,-20.68,;16.13,-25.29,;14.79,-24.53,;14.79,-22.98,;13.46,-25.29,;13.46,-26.83,;14.79,-27.6,;16.21,-26.98,;17.23,-28.12,;16.47,-29.46,;14.96,-29.14,;12.13,-24.51,;10.8,-25.29,;10.8,-26.83,;9.46,-24.51,;9.46,-22.97,;10.8,-22.2,;10.8,-20.67,;12.13,-19.89,;12.13,-18.35,;10.8,-17.58,;13.47,-17.58,;8.12,-25.29,;6.78,-24.51,;5.46,-25.28,;6.78,-22.97,;22.8,-24.54,;22.8,-22.99,;24.14,-25.3,;25.47,-24.54,;25.47,-22.99,;26.81,-22.22,;28.14,-22.99,;26.81,-20.68,;26.81,-25.31,;26.81,-26.85,;28.14,-24.54,;29.47,-25.31,;30.8,-24.54,;30.8,-23,;32.14,-22.22,;29.48,-22.23,;29.47,-26.85,;28.14,-27.62,;30.8,-27.62,;30.8,-29.16,;32.14,-29.93,;32.14,-31.47,;33.47,-29.16,;34.81,-29.93,;29.47,-29.93,;28.13,-29.16,;29.47,-31.93,;27.73,-32.93,;26.47,-32.05,;26.6,-30.51,;25.07,-32.7,;27.38,-34.9,;25.89,-35.3,;28.66,-36.44,;30.18,-36.17,;30.87,-34.29,;32.75,-33.61,;33.93,-34.6,;35.38,-34.08,;36.55,-35.07,;38,-34.55,;36.29,-36.59,;31.17,-37.35,;30.64,-38.8,;32.68,-37.09,;33.98,-38.63,;35.5,-38.53,;36.09,-39.95,;34.91,-40.94,;33.6,-40.12,;32.18,-40.69,;30.96,-39.74,;31.95,-42.22,;30.53,-42.8,;29.31,-41.85,;29.53,-40.32,;28.32,-39.38,;26.89,-39.95,;25.67,-39,;24.25,-39.58,;25.89,-37.48,;30.31,-44.32,;28.88,-44.9,;31.52,-45.27,;31.3,-46.8,;29.88,-47.37,;29.66,-48.9,;28.23,-49.47,;28.02,-51,;29.23,-51.95,;29.01,-53.48,;30.65,-51.38,;30.87,-49.85,;32.52,-47.75,;32.31,-49.27,;33.95,-47.17,)|
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
Neuropeptide Y receptor type 4


(Homo sapiens (Human))
BDBM50535852
PNG
(CHEMBL4533775)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CCCCCCC(=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)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O |r|
Show InChI InChI=1S/C77H115N21O16/c1-43(2)37-59(71(111)89-45(5)67(107)95-57(65(78)105)39-46-18-26-50(99)27-19-46)97-69(109)55(14-11-35-87-76(82)83)93-73(113)61(41-48-22-30-52(101)31-23-48)90-63(103)16-8-6-7-9-17-64(104)91-62(42-49-24-32-53(102)33-25-49)74(114)94-56(15-12-36-88-77(84)85)70(110)98-60(38-44(3)4)72(112)92-54(13-10-34-86-75(80)81)68(108)96-58(66(79)106)40-47-20-28-51(100)29-21-47/h18-33,43-45,54-62,99-102H,6-17,34-42H2,1-5H3,(H2,78,105)(H2,79,106)(H,89,111)(H,90,103)(H,91,104)(H,92,112)(H,93,113)(H,94,114)(H,95,107)(H,96,108)(H,97,109)(H,98,110)(H4,80,81,86)(H4,82,83,87)(H4,84,85,88)/t45-,54-,55-,56-,57-,58-,59-,60-,61-,62-/m0/s1
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11n/an/an/an/an/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Displacement of [3H](2R,7R)-10 from human NPY Y4 receptor expressed in CHO cells co-expressing Gqi5-mtAEQ after 90 mins in presence of sodium-free HE...


J Med Chem 59: 6045-58 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00309
BindingDB Entry DOI: 10.7270/Q25T3Q08
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 4


(Homo sapiens (Human))
BDBM50535857
PNG
(CHEMBL4581256)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CCCCCCC(=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)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O |r|
Show InChI InChI=1S/C77H115N21O16/c1-43(2)37-59(72(112)92-54(13-10-34-86-75(80)81)68(108)95-57(65(78)105)39-46-18-26-50(99)27-19-46)97-67(107)45(5)89-71(111)61(41-48-22-30-52(101)31-23-48)90-63(103)16-8-6-7-9-17-64(104)91-62(42-49-24-32-53(102)33-25-49)74(114)94-56(15-12-36-88-77(84)85)70(110)98-60(38-44(3)4)73(113)93-55(14-11-35-87-76(82)83)69(109)96-58(66(79)106)40-47-20-28-51(100)29-21-47/h18-33,43-45,54-62,99-102H,6-17,34-42H2,1-5H3,(H2,78,105)(H2,79,106)(H,89,111)(H,90,103)(H,91,104)(H,92,112)(H,93,113)(H,94,114)(H,95,108)(H,96,109)(H,97,107)(H,98,110)(H4,80,81,86)(H4,82,83,87)(H4,84,85,88)/t45-,54-,55-,56-,57-,58-,59-,60-,61-,62-/m0/s1
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12n/an/an/an/an/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Displacement of [3H](2R,7R)-10 from human NPY Y4 receptor expressed in CHO cells co-expressing Gqi5-mtAEQ after 90 mins in presence of sodium-free HE...


J Med Chem 59: 6045-58 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00309
BindingDB Entry DOI: 10.7270/Q25T3Q08
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor/Receptor activity-modifying protein 1


(Homo sapiens (Human))
BDBM50062162
PNG
(CHEMBL264010 | FVPTDVGPFAF)
Show SMILES CC(C)[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccccc1)C(C)C)[C@@H](C)O)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C60H81N11O15/c1-33(2)48(67-54(79)42(31-47(74)75)65-58(83)50(36(6)72)69-56(81)45-25-17-27-71(45)59(84)49(34(3)4)68-52(77)40(61)28-37-18-10-7-11-19-37)57(82)62-32-46(73)70-26-16-24-44(70)55(80)64-41(29-38-20-12-8-13-21-38)53(78)63-35(5)51(76)66-43(60(85)86)30-39-22-14-9-15-23-39/h7-15,18-23,33-36,40-45,48-50,72H,16-17,24-32,61H2,1-6H3,(H,62,82)(H,63,78)(H,64,80)(H,65,83)(H,66,76)(H,67,79)(H,68,77)(H,69,81)(H,74,75)(H,85,86)/t35-,36+,40-,41-,42-,43-,44-,45-,48-,49-,50-/m0/s1
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14n/an/an/an/an/an/an/an/a



University of Leipzig

Curated by ChEMBL


Assay Description
Displacement of [125I-Tyr10] from halphaCGRP expressed in human neuroblastoma SK-N-MC cells


J Med Chem 49: 616-24 (2006)


Article DOI: 10.1021/jm050613s
BindingDB Entry DOI: 10.7270/Q280526H
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor/Receptor activity-modifying protein 1


(Homo sapiens (Human))
BDBM50062214
PNG
(CHEMBL406459 | FVPTDVGAFAF)
Show SMILES CC(C)[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccccc1)C(C)C)[C@@H](C)O)C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C58H79N11O15/c1-31(2)46(55(80)60-30-44(71)61-33(5)49(74)63-40(27-37-20-13-9-14-21-37)52(77)62-34(6)50(75)65-42(58(83)84)28-38-22-15-10-16-23-38)66-53(78)41(29-45(72)73)64-56(81)48(35(7)70)68-54(79)43-24-17-25-69(43)57(82)47(32(3)4)67-51(76)39(59)26-36-18-11-8-12-19-36/h8-16,18-23,31-35,39-43,46-48,70H,17,24-30,59H2,1-7H3,(H,60,80)(H,61,71)(H,62,77)(H,63,74)(H,64,81)(H,65,75)(H,66,78)(H,67,76)(H,68,79)(H,72,73)(H,83,84)/t33-,34-,35+,39-,40-,41-,42-,43-,46-,47-,48-/m0/s1
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14n/an/an/an/an/an/an/an/a



University of Leipzig

Curated by ChEMBL


Assay Description
Displacement of [3H-propionyl-K24] from halphaCGRP expressed in human neuroblastoma SK-N-MC cells


J Med Chem 49: 616-24 (2006)


Article DOI: 10.1021/jm050613s
BindingDB Entry DOI: 10.7270/Q280526H
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 4


(Homo sapiens (Human))
BDBM50441962
PNG
(CHEMBL2440195)
Show SMILES [#6]-[#6]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](-[#6])=O)-[#6@@H](-[#6])-[#6]-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6@@H](-[#6])-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@H]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccc(-[#8])cc1)-[#6](-[#7])=O |r|
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 4


(Homo sapiens (Human))
BDBM50532420
PNG
(CHEMBL4475071)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CCCC[C@H](N)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)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O |r|
Show InChI InChI=1S/C80H124N26O16/c1-43(2)37-61(73(119)97-55(13-7-33-93-77(85)86)69(115)101-59(65(83)111)39-45-17-25-49(107)26-18-45)105-71(117)57(15-9-35-95-79(89)90)99-75(121)63(41-47-21-29-51(109)30-22-47)103-67(113)53(81)11-5-6-12-54(82)68(114)104-64(42-48-23-31-52(110)32-24-48)76(122)100-58(16-10-36-96-80(91)92)72(118)106-62(38-44(3)4)74(120)98-56(14-8-34-94-78(87)88)70(116)102-60(66(84)112)40-46-19-27-50(108)28-20-46/h17-32,43-44,53-64,107-110H,5-16,33-42,81-82H2,1-4H3,(H2,83,111)(H2,84,112)(H,97,119)(H,98,120)(H,99,121)(H,100,122)(H,101,115)(H,102,116)(H,103,113)(H,104,114)(H,105,117)(H,106,118)(H4,85,86,93)(H4,87,88,94)(H4,89,90,95)(H4,91,92,96)/t53-,54-,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-/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 [3H](2R,7R)-10 from human NPY Y4 receptor expressed in CHO cells co-expressing Gqi5-mtAEQ after 90 mins in presence of L-15 medium by...


J Med Chem 59: 6045-58 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00309
BindingDB Entry DOI: 10.7270/Q25T3Q08
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Homo sapiens (Human))
BDBM50441965
PNG
(CHEMBL2440192)
Show SMILES [#6]-[#6]-[#6@H](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#16]-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#7]-[#6](-[#7])=[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#16]-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6@H](-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6@H](-[#6]-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6@H](-[#6])-[#7])-[#6](-[#6])-[#6])-[#6@@H](-[#6])-[#8])-[#6@@H](-[#6])-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#7]-[#6](-[#7])=[#7])-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#7]-[#6](-[#7])=[#7])-[#6](=O)-[#7]-[#6@H](-[#7])-[#6]-c1ccc(-[#8])cc1 |r|
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 |r,wU:89.92,108.110,30.39,8.17,2.2,45.46,61.62,76.77,wD:87.88,88.96,97.99,20.28,4.4,53.54,62.64,69.70,70.73,(22.23,-25.52,;22.23,-23.98,;23.57,-23.21,;24.91,-23.98,;23.57,-21.67,;22.23,-20.9,;20.91,-21.67,;20.91,-23.21,;19.57,-20.9,;19.57,-19.36,;18.24,-18.59,;18.24,-17.05,;16.89,-16.28,;15.55,-17.04,;14.22,-16.27,;15.55,-18.59,;16.89,-19.37,;18.24,-21.67,;18.24,-23.21,;19.57,-23.98,;16.9,-23.98,;16.9,-25.52,;18.24,-26.29,;18.4,-27.82,;19.91,-28.14,;20.68,-26.8,;19.64,-25.66,;15.57,-23.21,;14.24,-23.98,;14.24,-25.52,;12.91,-23.21,;12.91,-21.67,;11.57,-20.9,;11.57,-19.36,;10.24,-18.59,;10.24,-17.05,;8.92,-16.28,;11.57,-16.28,;11.57,-23.98,;10.24,-23.21,;8.92,-23.98,;10.24,-21.67,;24.91,-20.9,;24.91,-19.36,;26.23,-21.67,;27.57,-20.9,;27.57,-19.36,;28.9,-18.59,;30.23,-19.36,;28.9,-17.05,;28.9,-21.67,;28.9,-23.21,;30.23,-20.9,;31.57,-21.67,;31.57,-23.21,;32.9,-23.98,;34.23,-23.21,;32.9,-25.52,;32.9,-20.9,;32.9,-19.36,;34.23,-21.67,;35.57,-20.9,;35.57,-19.36,;36.89,-18.59,;34.23,-18.59,;34.23,-17.05,;36.89,-21.67,;36.89,-23.21,;38.23,-20.9,;39.57,-21.67,;39.57,-23.21,;38.23,-23.98,;40.9,-23.98,;40.9,-20.9,;40.9,-19.36,;42.23,-21.67,;43.56,-20.9,;43.56,-19.36,;44.89,-18.59,;44.89,-17.05,;46.23,-16.28,;46.23,-14.74,;44.89,-13.97,;47.56,-13.97,;44.89,-21.67,;44.89,-23.21,;46.23,-20.9,;47.56,-21.67,;49.1,-21.67,;48.33,-23,;48.33,-24.54,;47,-25.31,;49.67,-25.31,;49.67,-26.85,;50.43,-20.9,;50.43,-19.36,;51.76,-21.67,;53.1,-20.9,;54.43,-21.67,;55.77,-20.9,;57.09,-21.67,;58.43,-20.9,;59.76,-21.67,;59.76,-23.2,;61.09,-20.9,;53.1,-19.36,;51.76,-18.59,;54.43,-18.59,;54.43,-17.05,;53.1,-16.28,;53.1,-14.74,;54.43,-13.97,;54.44,-12.43,;53.09,-11.65,;53.09,-10.11,;51.76,-12.43,;51.75,-13.97,;55.77,-16.28,;57.09,-17.05,;55.77,-14.74,)|
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
Neuropeptide Y receptor type 4


(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 |r|
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
Neuropeptide Y receptor type 4


(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 |r,wU:96.99,88.90,92.96,69.70,73.76,30.39,8.17,2.2,45.46,62.64,wD:107.110,77.79,20.28,4.4,53.54,61.62,(15.59,-37.55,;15.59,-36.01,;16.93,-35.24,;18.27,-36.01,;16.93,-33.7,;15.59,-32.93,;14.27,-33.7,;14.27,-35.23,;12.93,-32.93,;12.93,-31.38,;14.27,-30.61,;15.59,-31.38,;16.94,-30.61,;16.93,-29.06,;18.26,-28.29,;15.58,-28.3,;14.27,-29.08,;11.6,-33.69,;10.26,-32.92,;10.26,-31.38,;8.93,-33.69,;8.93,-35.23,;10.26,-36,;11.67,-35.38,;12.7,-36.52,;11.93,-37.86,;10.42,-37.53,;7.59,-32.92,;6.26,-33.69,;6.26,-35.22,;4.93,-32.92,;4.93,-31.37,;6.26,-30.6,;6.26,-29.06,;7.6,-28.29,;7.6,-26.75,;6.26,-25.99,;8.93,-25.98,;3.59,-33.68,;2.25,-32.91,;.93,-33.68,;2.25,-31.37,;18.27,-32.93,;18.27,-31.39,;19.6,-33.7,;20.94,-32.93,;20.94,-31.39,;22.27,-30.62,;23.61,-31.39,;22.27,-29.08,;22.27,-33.71,;22.27,-35.24,;23.6,-32.94,;24.93,-33.71,;24.93,-35.25,;26.27,-36.02,;26.27,-37.56,;27.6,-35.25,;26.27,-32.94,;26.27,-31.4,;27.61,-33.71,;28.94,-32.94,;30.28,-33.71,;31.6,-32.94,;30.28,-35.25,;28.94,-36.02,;28.94,-31.4,;27.61,-30.63,;30.28,-30.63,;30.28,-29.09,;29.03,-28.19,;29.51,-26.72,;31.05,-26.72,;31.52,-28.19,;32.99,-28.66,;33.31,-30.17,;34.13,-27.63,;35.6,-28.12,;35.92,-29.62,;34.77,-30.65,;35.09,-32.16,;33.95,-33.19,;34.26,-34.7,;35.73,-35.17,;33.12,-35.73,;36.74,-27.09,;38.21,-27.56,;36.43,-25.58,;34.96,-25.1,;33.71,-26,;32.46,-25.1,;32.94,-23.63,;34.49,-23.63,;35.4,-22.39,;36.91,-22.63,;34.84,-20.95,;33.32,-20.71,;32.35,-21.9,;30.83,-21.66,;29.86,-22.86,;28.34,-22.63,;27.37,-23.82,;27.92,-25.25,;25.85,-23.58,;32.77,-19.27,;33.73,-18.07,;31.24,-19.03,;30.7,-17.59,;31.66,-16.4,;31.11,-14.96,;29.59,-14.71,;29.03,-13.28,;30.01,-12.08,;29.45,-10.65,;31.52,-12.32,;32.08,-13.76,;29.17,-17.35,;28.62,-15.91,;28.2,-18.55,)|
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 |r,wU:114.117,82.84,72.73,73.81,30.39,8.17,2.2,45.46,61.62,95.99,wD:103.106,74.77,20.28,4.4,53.54,93.95,94.103,(26.03,-19.12,;26.03,-17.58,;27.36,-16.82,;28.7,-17.58,;27.36,-15.28,;26.03,-14.51,;24.7,-15.28,;24.7,-16.82,;23.37,-14.51,;23.37,-12.97,;24.7,-12.2,;26.04,-12.96,;27.37,-12.2,;27.37,-10.66,;28.7,-9.89,;26.04,-9.88,;24.7,-10.66,;22.03,-15.28,;20.7,-14.51,;20.7,-12.97,;19.37,-15.28,;19.37,-16.82,;20.7,-17.58,;22.12,-16.96,;23.15,-18.1,;22.38,-19.44,;20.86,-19.12,;18.03,-14.51,;16.71,-15.28,;16.71,-16.82,;15.37,-14.51,;15.37,-12.97,;16.71,-12.2,;16.71,-10.66,;18.03,-9.89,;18.03,-8.35,;16.71,-7.58,;19.37,-7.58,;14.04,-15.28,;12.71,-14.51,;11.37,-15.28,;12.71,-12.97,;28.7,-14.51,;28.7,-12.97,;30.03,-15.28,;31.36,-14.51,;31.36,-12.97,;32.7,-12.2,;34.02,-12.97,;32.7,-10.66,;32.7,-15.28,;32.7,-16.82,;34.02,-14.51,;35.36,-15.28,;35.36,-16.82,;36.69,-17.58,;36.69,-19.12,;38.03,-16.82,;36.69,-14.51,;36.69,-12.97,;38.03,-15.28,;39.36,-14.51,;39.36,-12.97,;40.69,-12.2,;40.69,-10.66,;42.02,-9.89,;42.02,-8.35,;40.69,-7.58,;43.35,-7.58,;40.69,-15.28,;40.69,-16.82,;42.02,-14.51,;43.35,-15.28,;44.12,-16.61,;44.89,-15.28,;46.23,-14.51,;46.23,-12.97,;47.55,-15.28,;48.88,-14.51,;44.12,-18.15,;45.45,-18.92,;42.79,-18.92,;42.79,-20.45,;44.12,-21.22,;45.45,-20.45,;46.79,-21.22,;48.11,-20.45,;49.45,-21.22,;49.45,-22.76,;50.78,-20.45,;41.45,-21.22,;40.12,-20.45,;41.45,-22.76,;40.12,-23.53,;39.36,-24.86,;38.58,-23.53,;37.26,-22.76,;37.26,-21.22,;35.92,-23.53,;34.59,-22.77,;39.36,-26.4,;38.03,-27.17,;40.69,-27.17,;40.69,-28.71,;39.36,-29.48,;39.36,-31.01,;38.03,-31.78,;38.03,-33.32,;36.69,-34.09,;35.36,-33.32,;36.69,-35.63,;42.02,-29.48,;43.35,-28.71,;42.02,-31.01,;43.35,-31.78,;44.69,-31.01,;46.02,-31.78,;46.01,-33.33,;47.35,-34.1,;48.7,-33.32,;50.03,-34.09,;48.69,-31.77,;47.35,-31.01,;43.35,-33.32,;42.02,-34.09,;44.69,-34.09,)|
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
Neuropeptide Y receptor type 4


(Homo sapiens (Human))
BDBM50441957
PNG
(CHEMBL2440199)
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](-[#6])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccc(-[#8])cc1)-[#6](-[#7])=O |r|
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
Neuropeptide Y receptor type 4


(Homo sapiens (Human))
BDBM50441960
PNG
(CHEMBL2440197)
Show SMILES [#6]-[#6]-[#6@H](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](-[#6])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6@@H](-[#6])-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@H]-1-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccc(-[#8])cc1)-[#6](-[#7])=O |r|
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
Neuropeptide Y receptor type 4


(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 |r,wU:87.88,30.39,8.17,2.2,45.46,61.62,69.70,94.96,90.93,wD:20.28,4.4,53.54,62.64,70.73,76.77,105.107,(16.22,-29.76,;15.45,-28.43,;16.22,-27.09,;17.76,-27.09,;15.45,-25.76,;13.91,-25.76,;13.14,-27.09,;13.91,-28.43,;11.6,-27.09,;10.83,-25.76,;11.6,-24.42,;13.14,-24.42,;13.91,-23.09,;13.14,-21.76,;13.91,-20.42,;11.6,-21.76,;10.83,-23.09,;10.83,-28.43,;9.29,-28.43,;8.52,-27.09,;8.52,-29.76,;9.29,-31.09,;10.83,-31.09,;11.74,-29.84,;13.2,-30.32,;13.2,-31.86,;11.74,-32.34,;6.98,-29.76,;6.21,-31.09,;6.98,-32.43,;4.67,-31.09,;3.9,-29.76,;4.67,-28.43,;3.9,-27.09,;4.67,-25.76,;3.9,-24.42,;2.36,-24.42,;4.67,-23.09,;3.9,-32.43,;2.36,-32.43,;1.59,-33.76,;1.59,-31.09,;16.22,-24.42,;15.45,-23.09,;17.76,-24.42,;18.53,-23.09,;17.76,-21.76,;18.53,-20.42,;20.07,-20.42,;17.76,-19.09,;20.07,-23.09,;20.84,-24.42,;20.84,-21.76,;22.38,-21.76,;23.15,-23.09,;24.69,-23.09,;25.46,-24.42,;25.46,-21.76,;23.15,-20.42,;22.38,-19.09,;24.69,-20.42,;25.46,-19.09,;24.69,-17.76,;25.46,-16.42,;23.15,-17.76,;22.38,-16.42,;27,-19.09,;27.77,-20.42,;27.77,-17.76,;29.31,-17.76,;30.08,-16.42,;31.62,-16.42,;29.31,-15.09,;30.08,-19.09,;29.31,-20.42,;31.62,-19.09,;32.39,-20.42,;31.62,-21.76,;32.39,-23.09,;33.93,-23.09,;34.7,-24.42,;33.93,-25.76,;32.39,-25.76,;34.7,-27.09,;33.93,-20.42,;34.7,-19.09,;34.7,-21.76,;36.24,-21.76,;37.33,-20.67,;38.42,-21.76,;37.33,-22.85,;37.33,-24.39,;36,-25.16,;38.66,-25.16,;39.99,-24.39,;39.99,-22.85,;41.33,-22.07,;41.33,-20.53,;42.67,-19.76,;42.67,-18.22,;41.33,-17.45,;44,-17.45,;41.33,-25.16,;41.33,-26.7,;42.67,-24.39,;44,-25.16,;44,-26.7,;45.33,-27.47,;46.66,-26.7,;48,-27.47,;48,-29.01,;49.34,-29.78,;46.66,-29.78,;45.33,-29.01,;45.33,-24.39,;46.67,-25.16,;45.33,-22.85,)|
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
Neuropeptide Y receptor type 4


(Homo sapiens (Human))
BDBM50441963
PNG
(CHEMBL2440194)
Show SMILES [#6]-[#6]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#7]-[#6](-[#7])=[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](-[#6])=O)-[#6@@H](-[#6])-[#6]-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6@@H](-[#6])-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#7]-[#6](-[#7])=[#7])-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#7]-[#6](-[#7])=[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccc(-[#8])cc1)-[#6](-[#7])=O |r|
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
Calcitonin gene-related peptide type 1 receptor/Receptor activity-modifying protein 1


(Homo sapiens (Human))
BDBM50062214
PNG
(CHEMBL406459 | FVPTDVGAFAF)
Show SMILES CC(C)[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccccc1)C(C)C)[C@@H](C)O)C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C58H79N11O15/c1-31(2)46(55(80)60-30-44(71)61-33(5)49(74)63-40(27-37-20-13-9-14-21-37)52(77)62-34(6)50(75)65-42(58(83)84)28-38-22-15-10-16-23-38)66-53(78)41(29-45(72)73)64-56(81)48(35(7)70)68-54(79)43-24-17-25-69(43)57(82)47(32(3)4)67-51(76)39(59)26-36-18-11-8-12-19-36/h8-16,18-23,31-35,39-43,46-48,70H,17,24-30,59H2,1-7H3,(H,60,80)(H,61,71)(H,62,77)(H,63,74)(H,64,81)(H,65,75)(H,66,78)(H,67,76)(H,68,79)(H,72,73)(H,83,84)/t33-,34-,35+,39-,40-,41-,42-,43-,46-,47-,48-/m0/s1
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77n/an/an/an/an/an/an/an/a



University of Leipzig

Curated by ChEMBL


Assay Description
Displacement of [125I-Tyr10] from halphaCGRP expressed in human neuroblastoma SK-N-MC cells


J Med Chem 49: 616-24 (2006)


Article DOI: 10.1021/jm050613s
BindingDB Entry DOI: 10.7270/Q280526H
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 4


(Homo sapiens (Human))
BDBM50441961
PNG
(CHEMBL2440196)
Show SMILES [#6]-[#6]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](-[#6])=O)-[#6@@H](-[#6])-[#6]-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6@@H](-[#6])-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@H]-1-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccc(-[#8])cc1)-[#6](-[#7])=O |r|
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
Neuropeptide Y receptor type 4


(Homo sapiens (Human))
BDBM50441956
PNG
(CHEMBL2440200)
Show SMILES [#6]-[#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]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccc(-[#8])cc1)-[#6](-[#7])=O |r|
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
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