Compile Data Set for Download or QSAR
Found 177 Enz. Inhib. hit(s) with Target = 'Pituitary adenylate cyclase-activating polypeptide type I receptor'
TargetPituitary adenylate cyclase-activating polypeptide type I receptor(Homo sapiens (Human))
Abbott Laboratories

Curated by ChEMBL
LigandPNGBDBM50110068(3-Chloro-4-hydroxy-benzoic acid [1-[4-(4-isopropyl...)
Show SMILES COc1cc(\C=N\NC(=O)c2ccc(O)c(Cl)c2)cc(OC)c1OCc1ccc(cc1)C(C)C
Show InChI InChI=1S/C26H27ClN2O5/c1-16(2)19-7-5-17(6-8-19)15-34-25-23(32-3)11-18(12-24(25)33-4)14-28-29-26(31)20-9-10-22(30)21(27)13-20/h5-14,16,30H,15H2,1-4H3,(H,29,31)/b28-14+
Affinity DataKi:  56nMAssay Description:Displacement of [125I]PACAP27 from PAC1R expressed in HEK293f cellsMore data for this Ligand-Target Pair
TargetPituitary adenylate cyclase-activating polypeptide type I receptor(Homo sapiens (Human))
Abbott Laboratories

Curated by ChEMBL
LigandPNGBDBM50122102(3-Cyano-4-hydroxy-benzoic acid [1-(2,3,5,6-tetrame...)
Show SMILES Cc1cc(C)c(C)c(Cn2ccc3c(\C=N\NC(=O)c4ccc(O)c(c4)C#N)cccc23)c1C
Show InChI InChI=1S/C28H26N4O2/c1-17-12-18(2)20(4)25(19(17)3)16-32-11-10-24-22(6-5-7-26(24)32)15-30-31-28(34)21-8-9-27(33)23(13-21)14-29/h5-13,15,33H,16H2,1-4H3,(H,31,34)/b30-15+
Affinity DataKi:  72nMAssay Description:Displacement of [125I]PACAP27 from PAC1R expressed in HEK293f cellsMore data for this Ligand-Target Pair
TargetPituitary adenylate cyclase-activating polypeptide type I receptor(Homo sapiens (Human))
Abbott Laboratories

Curated by ChEMBL
LigandPNGBDBM50374178(CHEMBL411120)
Show SMILES Oc1ccc(cc1Cl)C(=O)N\N=C\c1cccc2n(Cc3cccc(c3)C(F)(F)F)ccc12
Show InChI InChI=1S/C24H17ClF3N3O2/c25-20-12-16(7-8-22(20)32)23(33)30-29-13-17-4-2-6-21-19(17)9-10-31(21)14-15-3-1-5-18(11-15)24(26,27)28/h1-13,32H,14H2,(H,30,33)/b29-13+
Affinity DataKi:  85nMAssay Description:Displacement of [125I]PACAP27 from PAC1R expressed in HEK293f cellsMore data for this Ligand-Target Pair
TargetPituitary adenylate cyclase-activating polypeptide type I receptor(Homo sapiens (Human))
Abbott Laboratories

Curated by ChEMBL
LigandPNGBDBM50374184(CHEMBL270677)
Show SMILES COc1cc(\C=N\NC(=O)c2ccc(O)c(Cl)c2)cc(OC)c1OCc1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C24H20ClF3N2O5/c1-33-20-9-15(12-29-30-23(32)16-5-8-19(31)18(25)11-16)10-21(34-2)22(20)35-13-14-3-6-17(7-4-14)24(26,27)28/h3-12,31H,13H2,1-2H3,(H,30,32)/b29-12+
Affinity DataKi:  140nMAssay Description:Displacement of [125I]PACAP27 from PAC1R expressed in HEK293f cellsMore data for this Ligand-Target Pair
TargetPituitary adenylate cyclase-activating polypeptide type I receptor(Homo sapiens (Human))
Abbott Laboratories

Curated by ChEMBL
LigandPNGBDBM50374179(CHEMBL409325)
Show SMILES COc1cc(\C=N\NC(=O)c2ccc(O)c(Cl)c2)cc(OCc2ccc(cc2)C(C)C)c1OC
Show InChI InChI=1S/C26H27ClN2O5/c1-16(2)19-7-5-17(6-8-19)15-34-24-12-18(11-23(32-3)25(24)33-4)14-28-29-26(31)20-9-10-22(30)21(27)13-20/h5-14,16,30H,15H2,1-4H3,(H,29,31)/b28-14+
Affinity DataKi:  152nMAssay Description:Displacement of [125I]PACAP27 from PAC1R expressed in HEK293f cellsMore data for this Ligand-Target Pair
TargetPituitary adenylate cyclase-activating polypeptide type I receptor(Homo sapiens (Human))
Abbott Laboratories

Curated by ChEMBL
LigandPNGBDBM50374188(CHEMBL270226)
Show SMILES COc1cc(\C=N\NC(=O)c2ccc(O)c(Cl)c2)cc(OCc2c(C)c(C)cc(C)c2C)c1OC
Show InChI InChI=1S/C27H29ClN2O5/c1-15-9-16(2)18(4)21(17(15)3)14-35-25-11-19(10-24(33-5)26(25)34-6)13-29-30-27(32)20-7-8-23(31)22(28)12-20/h7-13,31H,14H2,1-6H3,(H,30,32)/b29-13+
Affinity DataKi:  167nMAssay Description:Displacement of [125I]PACAP27 from PAC1R expressed in HEK293f cellsMore data for this Ligand-Target Pair
TargetPituitary adenylate cyclase-activating polypeptide type I receptor(Homo sapiens (Human))
Abbott Laboratories

Curated by ChEMBL
LigandPNGBDBM50374187(CHEMBL256379)
Show SMILES COc1cc(\C=N\NC(=O)c2ccc(O)c(Cl)c2)cc(OC)c1OCc1ccccc1
Show InChI InChI=1S/C23H21ClN2O5/c1-29-20-10-16(13-25-26-23(28)17-8-9-19(27)18(24)12-17)11-21(30-2)22(20)31-14-15-6-4-3-5-7-15/h3-13,27H,14H2,1-2H3,(H,26,28)/b25-13+
Affinity DataKi:  185nMAssay Description:Displacement of [125I]PACAP27 from PAC1R expressed in HEK293f cellsMore data for this Ligand-Target Pair
TargetPituitary adenylate cyclase-activating polypeptide type I receptor(Homo sapiens (Human))
Abbott Laboratories

Curated by ChEMBL
LigandPNGBDBM50374177(CHEMBL409729)
Show SMILES COc1cc(\C=N\NC(=O)c2ccc(O)c(Cl)c2)cc(OC)c1OCc1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C24H20ClF3N2O5/c1-33-20-9-15(12-29-30-23(32)16-6-7-19(31)18(25)11-16)10-21(34-2)22(20)35-13-14-4-3-5-17(8-14)24(26,27)28/h3-12,31H,13H2,1-2H3,(H,30,32)/b29-12+
Affinity DataKi:  204nMAssay Description:Displacement of [125I]PACAP27 from PAC1R expressed in HEK293f cellsMore data for this Ligand-Target Pair
TargetPituitary adenylate cyclase-activating polypeptide type I receptor(Homo sapiens (Human))
Abbott Laboratories

Curated by ChEMBL
LigandPNGBDBM50374180(CHEMBL404071)
Show SMILES Oc1ccc(cc1Cl)C(=O)N\N=C\c1cccc(COc2ccc(cc2)C(F)(F)F)c1
Show InChI InChI=1S/C22H16ClF3N2O3/c23-19-11-16(4-9-20(19)29)21(30)28-27-12-14-2-1-3-15(10-14)13-31-18-7-5-17(6-8-18)22(24,25)26/h1-12,29H,13H2,(H,28,30)/b27-12+
Affinity DataKi:  241nMAssay Description:Displacement of [125I]PACAP27 from PAC1R expressed in HEK293f cellsMore data for this Ligand-Target Pair
TargetPituitary adenylate cyclase-activating polypeptide type I receptor(Homo sapiens (Human))
Abbott Laboratories

Curated by ChEMBL
LigandPNGBDBM50374186(CHEMBL272122)
Show SMILES Oc1ccc(cc1Cl)C(=O)N\N=C\c1cccc(COc2cccc(c2)C(F)(F)F)c1
Show InChI InChI=1S/C22H16ClF3N2O3/c23-19-10-16(7-8-20(19)29)21(30)28-27-12-14-3-1-4-15(9-14)13-31-18-6-2-5-17(11-18)22(24,25)26/h1-12,29H,13H2,(H,28,30)/b27-12+
Affinity DataKi:  274nMAssay Description:Displacement of [125I]PACAP27 from PAC1R expressed in HEK293f cellsMore data for this Ligand-Target Pair
TargetPituitary adenylate cyclase-activating polypeptide type I receptor(Homo sapiens (Human))
Abbott Laboratories

Curated by ChEMBL
LigandPNGBDBM50374183(CHEMBL269990)
Show SMILES COc1cc(\C=N\NC(=O)c2ccc(O)c(Cl)c2)ccc1OCc1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C23H18ClF3N2O4/c1-32-21-10-14(12-28-29-22(31)16-6-7-19(30)18(24)11-16)5-8-20(21)33-13-15-3-2-4-17(9-15)23(25,26)27/h2-12,30H,13H2,1H3,(H,29,31)/b28-12+
Affinity DataKi:  404nMAssay Description:Displacement of [125I]PACAP27 from PAC1R expressed in HEK293f cellsMore data for this Ligand-Target Pair
TargetPituitary adenylate cyclase-activating polypeptide type I receptor(Homo sapiens (Human))
Abbott Laboratories

Curated by ChEMBL
LigandPNGBDBM50374182(CHEMBL272118)
Show SMILES Oc1ccc(cc1Cl)C(=O)N\N=C\c1ccc(OCc2ccccc2)cc1
Show InChI InChI=1S/C21H17ClN2O3/c22-19-12-17(8-11-20(19)25)21(26)24-23-13-15-6-9-18(10-7-15)27-14-16-4-2-1-3-5-16/h1-13,25H,14H2,(H,24,26)/b23-13+
Affinity DataKi:  522nMAssay Description:Displacement of [125I]PACAP27 from PAC1R expressed in HEK293f cellsMore data for this Ligand-Target Pair
TargetPituitary adenylate cyclase-activating polypeptide type I receptor(Homo sapiens (Human))
Abbott Laboratories

Curated by ChEMBL
LigandPNGBDBM50374181(CHEMBL256837)
Show SMILES Oc1ccc(cc1Cl)C(=O)N\N=C\c1ccc(OCc2cccc(c2)C(F)(F)F)cc1
Show InChI InChI=1S/C22H16ClF3N2O3/c23-19-11-16(6-9-20(19)29)21(30)28-27-12-14-4-7-18(8-5-14)31-13-15-2-1-3-17(10-15)22(24,25)26/h1-12,29H,13H2,(H,28,30)/b27-12+
Affinity DataKi:  537nMAssay Description:Displacement of [125I]PACAP27 from PAC1R expressed in HEK293f cellsMore data for this Ligand-Target Pair
TargetPituitary adenylate cyclase-activating polypeptide type I receptor(Homo sapiens (Human))
Abbott Laboratories

Curated by ChEMBL
LigandPNGBDBM50374185(CHEMBL255824)
Show SMILES Oc1ccc(cc1Cl)C(=O)N\N=C\c1cccc(OCc2cccc(c2)C(F)(F)F)c1
Show InChI InChI=1S/C22H16ClF3N2O3/c23-19-11-16(7-8-20(19)29)21(30)28-27-12-14-3-2-6-18(10-14)31-13-15-4-1-5-17(9-15)22(24,25)26/h1-12,29H,13H2,(H,28,30)/b27-12+
Affinity DataKi:  554nMAssay Description:Displacement of [125I]PACAP27 from PAC1R expressed in HEK293f cellsMore data for this Ligand-Target Pair
TargetPituitary adenylate cyclase-activating polypeptide type I receptor(Homo sapiens (Human))
Abbott Laboratories

Curated by ChEMBL
LigandPNGBDBM50110055(3-Chloro-4-hydroxy-benzoic acid [1-(4-isopropyl-be...)
Show SMILES CC(C)c1ccc(Cn2ccc3c(\C=N\NC(=O)c4ccc(O)c(Cl)c4)cccc23)cc1
Show InChI InChI=1S/C26H24ClN3O2/c1-17(2)19-8-6-18(7-9-19)16-30-13-12-22-21(4-3-5-24(22)30)15-28-29-26(32)20-10-11-25(31)23(27)14-20/h3-15,17,31H,16H2,1-2H3,(H,29,32)/b28-15+
Affinity DataKi:  604nMAssay Description:Displacement of [125I]PACAP27 from PAC1R expressed in HEK293f cellsMore data for this Ligand-Target Pair
TargetPituitary adenylate cyclase-activating polypeptide type I receptor(Homo sapiens (Human))
Abbott Laboratories

Curated by ChEMBL
LigandPNGBDBM50200209((2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2...)
Show SMILES CC[C@H](C)[C@H](NC(=O)CNC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)C(O)=O
Show InChI InChI=1S/C142H223N39O40S/c1-16-75(10)113(178-108(190)66-155-119(199)101(63-109(191)192)171-134(214)104(67-182)175-118(198)88(146)62-84-65-152-70-156-84)138(218)172-100(58-80-28-18-17-19-29-80)132(212)181-114(79(14)185)139(219)173-102(64-110(193)194)131(211)177-106(69-184)135(215)170-99(61-83-39-45-87(188)46-40-83)130(210)176-105(68-183)133(213)163-93(34-27-54-154-142(150)151)125(205)168-97(59-81-35-41-85(186)42-36-81)128(208)162-92(33-26-53-153-141(148)149)123(203)160-89(30-20-23-50-143)121(201)164-94(47-48-107(147)189)126(206)165-95(49-55-222-15)120(200)158-78(13)117(197)179-111(73(6)7)136(216)166-91(32-22-25-52-145)122(202)161-90(31-21-24-51-144)124(204)169-98(60-82-37-43-86(187)44-38-82)129(209)167-96(56-71(2)3)127(207)159-76(11)115(195)157-77(12)116(196)180-112(74(8)9)137(217)174-103(140(220)221)57-72(4)5/h17-19,28-29,35-46,65,70-79,88-106,111-114,182-188H,16,20-27,30-34,47-64,66-69,143-146H2,1-15H3,(H2,147,189)(H,152,156)(H,155,199)(H,157,195)(H,158,200)(H,159,207)(H,160,203)(H,161,202)(H,162,208)(H,163,213)(H,164,201)(H,165,206)(H,166,216)(H,167,209)(H,168,205)(H,169,204)(H,170,215)(H,171,214)(H,172,218)(H,173,219)(H,174,217)(H,175,198)(H,176,210)(H,177,211)(H,178,190)(H,179,197)(H,180,196)(H,181,212)(H,191,192)(H,193,194)(H,220,221)(H4,148,149,153)(H4,150,151,154)/t75-,76-,77-,78-,79+,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,111-,112-,113-,114-/m0/s1
Affinity DataIC50: 3nMAssay Description:Displacement of [125I]PACAP27 from human PAC1 receptor expressed in CHO cellsMore data for this Ligand-Target Pair
TargetPituitary adenylate cyclase-activating polypeptide type I receptor(Homo sapiens (Human))
Abbott Laboratories

Curated by ChEMBL
LigandPNGBDBM50250033(CHEMBL525419 | [Ala7]PACAP38)
Show SMILES CC[C@H](C)[C@H](NC(=O)CNC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCCN)C(N)=O
Show InChI InChI=1S/C202H329N63O52S/c1-18-109(12)162(262-156(277)99-229-170(289)147(95-157(278)279)256-193(312)149(100-266)259-168(287)124(210)93-119-97-223-103-230-119)198(317)258-141(88-114-40-20-19-21-41-114)185(304)234-111(14)165(284)249-148(96-158(280)281)191(310)261-151(102-268)194(313)254-145(92-118-59-67-123(272)68-60-118)189(308)260-150(101-267)192(311)243-134(51-38-83-226-201(219)220)180(299)252-143(90-116-55-63-121(270)64-56-116)187(306)242-132(49-36-81-224-199(215)216)176(295)237-127(44-24-31-76-205)173(292)245-137(70-72-153(212)274)182(301)246-138(73-85-318-17)171(290)232-113(16)167(286)263-159(106(6)7)195(314)247-130(47-27-34-79-208)175(294)238-129(46-26-33-78-207)177(296)253-144(91-117-57-65-122(271)66-58-117)188(307)250-140(87-105(4)5)184(303)233-110(13)164(283)231-112(15)166(285)264-160(107(8)9)197(316)257-139(86-104(2)3)169(288)228-98-155(276)235-126(43-23-30-75-204)172(291)239-133(50-37-82-225-200(217)218)179(298)251-142(89-115-53-61-120(269)62-54-115)186(305)241-128(45-25-32-77-206)174(293)244-136(69-71-152(211)273)181(300)240-135(52-39-84-227-202(221)222)183(302)265-161(108(10)11)196(315)248-131(48-28-35-80-209)178(297)255-146(94-154(213)275)190(309)236-125(163(214)282)42-22-29-74-203/h19-21,40-41,53-68,97,103-113,124-151,159-162,266-272H,18,22-39,42-52,69-96,98-102,203-210H2,1-17H3,(H2,211,273)(H2,212,274)(H2,213,275)(H2,214,282)(H,223,230)(H,228,288)(H,229,289)(H,231,283)(H,232,290)(H,233,303)(H,234,304)(H,235,276)(H,236,309)(H,237,295)(H,238,294)(H,239,291)(H,240,300)(H,241,305)(H,242,306)(H,243,311)(H,244,293)(H,245,292)(H,246,301)(H,247,314)(H,248,315)(H,249,284)(H,250,307)(H,251,298)(H,252,299)(H,253,296)(H,254,313)(H,255,297)(H,256,312)(H,257,316)(H,258,317)(H,259,287)(H,260,308)(H,261,310)(H,262,277)(H,263,286)(H,264,285)(H,265,302)(H,278,279)(H,280,281)(H4,215,216,224)(H4,217,218,225)(H4,219,220,226)(H4,221,222,227)/t109-,110-,111-,112-,113-,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,135-,136-,137-,138-,139-,140-,141-,142-,143-,144-,145-,146-,147-,148-,149-,150-,151-,159-,160-,161-,162-/m0/s1
Affinity DataIC50: 4nMAssay Description:Displacement of [125I]Ac-PACAP27 from human recombinant PAC1 receptor expressed in CHO cells by gamma- counterMore data for this Ligand-Target Pair
TargetPituitary adenylate cyclase-activating polypeptide type I receptor(Homo sapiens (Human))
Abbott Laboratories

Curated by ChEMBL
LigandPNGBDBM50250074(CHEMBL507480 | [Bip6]PACAP27)
Show SMILES CC[C@H](C)[C@H](NC(=O)CNC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(cc1)-c1ccccc1)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)C(N)=O
Show InChI InChI=1S/C148H228N40O39S/c1-16-79(10)119(185-114(197)70-162-126(207)108(67-115(198)199)179-141(222)110(71-189)182-125(206)94(152)66-90-69-159-74-163-90)145(226)180-107(62-84-35-43-89(44-36-84)88-28-18-17-19-29-88)139(220)188-120(83(14)192)146(227)181-109(68-116(200)201)138(219)184-112(73-191)142(223)178-106(65-87-41-49-93(195)50-42-87)137(218)183-111(72-190)140(221)170-99(34-27-58-161-148(157)158)132(213)176-104(63-85-37-45-91(193)46-38-85)135(216)169-98(33-26-57-160-147(155)156)130(211)167-95(30-20-23-54-149)128(209)171-100(51-52-113(153)196)133(214)172-101(53-59-228-15)127(208)165-82(13)124(205)186-117(77(6)7)143(224)173-97(32-22-25-56-151)129(210)168-96(31-21-24-55-150)131(212)177-105(64-86-39-47-92(194)48-40-86)136(217)175-103(61-76(4)5)134(215)166-80(11)122(203)164-81(12)123(204)187-118(78(8)9)144(225)174-102(121(154)202)60-75(2)3/h17-19,28-29,35-50,69,74-83,94-112,117-120,189-195H,16,20-27,30-34,51-68,70-73,149-152H2,1-15H3,(H2,153,196)(H2,154,202)(H,159,163)(H,162,207)(H,164,203)(H,165,208)(H,166,215)(H,167,211)(H,168,210)(H,169,216)(H,170,221)(H,171,209)(H,172,214)(H,173,224)(H,174,225)(H,175,217)(H,176,213)(H,177,212)(H,178,223)(H,179,222)(H,180,226)(H,181,227)(H,182,206)(H,183,218)(H,184,219)(H,185,197)(H,186,205)(H,187,204)(H,188,220)(H,198,199)(H,200,201)(H4,155,156,160)(H4,157,158,161)/t79-,80-,81-,82-,83+,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,117-,118-,119-,120-/m0/s1
Affinity DataIC50: 4.5nMAssay Description:Displacement of [125I]Ac-PACAP27 from human recombinant PAC1 receptor expressed in CHO cells by gamma- counterMore data for this Ligand-Target Pair
TargetPituitary adenylate cyclase-activating polypeptide type I receptor(Homo sapiens (Human))
Abbott Laboratories

Curated by ChEMBL
LigandPNGBDBM50250018(CHEMBL524852 | PACAP27)
Show SMILES CC[C@H](C)[C@H](NC(=O)CNC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)C(N)=O
Show InChI InChI=1S/C142H224N40O39S/c1-16-75(10)113(179-108(191)66-156-120(201)102(63-109(192)193)173-135(216)104(67-183)176-119(200)88(146)62-84-65-153-70-157-84)139(220)174-101(58-80-28-18-17-19-29-80)133(214)182-114(79(14)186)140(221)175-103(64-110(194)195)132(213)178-106(69-185)136(217)172-100(61-83-39-45-87(189)46-40-83)131(212)177-105(68-184)134(215)164-93(34-27-54-155-142(151)152)126(207)170-98(59-81-35-41-85(187)42-36-81)129(210)163-92(33-26-53-154-141(149)150)124(205)161-89(30-20-23-50-143)122(203)165-94(47-48-107(147)190)127(208)166-95(49-55-222-15)121(202)159-78(13)118(199)180-111(73(6)7)137(218)167-91(32-22-25-52-145)123(204)162-90(31-21-24-51-144)125(206)171-99(60-82-37-43-86(188)44-38-82)130(211)169-97(57-72(4)5)128(209)160-76(11)116(197)158-77(12)117(198)181-112(74(8)9)138(219)168-96(115(148)196)56-71(2)3/h17-19,28-29,35-46,65,70-79,88-106,111-114,183-189H,16,20-27,30-34,47-64,66-69,143-146H2,1-15H3,(H2,147,190)(H2,148,196)(H,153,157)(H,156,201)(H,158,197)(H,159,202)(H,160,209)(H,161,205)(H,162,204)(H,163,210)(H,164,215)(H,165,203)(H,166,208)(H,167,218)(H,168,219)(H,169,211)(H,170,207)(H,171,206)(H,172,217)(H,173,216)(H,174,220)(H,175,221)(H,176,200)(H,177,212)(H,178,213)(H,179,191)(H,180,199)(H,181,198)(H,182,214)(H,192,193)(H,194,195)(H4,149,150,154)(H4,151,152,155)/t75-,76-,77-,78-,79+,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,111-,112-,113-,114-/m0/s1
Affinity DataIC50: 4.60nMAssay Description:Displacement of Ac-[125I]-PACAP27 from recombinant human PAC1 expressed in CHO cells after 90 mins by gamma counting analysisMore data for this Ligand-Target Pair
TargetPituitary adenylate cyclase-activating polypeptide type I receptor(Homo sapiens (Human))
Abbott Laboratories

Curated by ChEMBL
LigandPNGBDBM50250034(CHEMBL499781 | [D-His1]PACAP27)
Show SMILES CC[C@H](C)[C@H](NC(=O)CNC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@H](N)Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)C(N)=O
Show InChI InChI=1S/C142H224N40O39S/c1-16-75(10)113(179-108(191)66-156-120(201)102(63-109(192)193)173-135(216)104(67-183)176-119(200)88(146)62-84-65-153-70-157-84)139(220)174-101(58-80-28-18-17-19-29-80)133(214)182-114(79(14)186)140(221)175-103(64-110(194)195)132(213)178-106(69-185)136(217)172-100(61-83-39-45-87(189)46-40-83)131(212)177-105(68-184)134(215)164-93(34-27-54-155-142(151)152)126(207)170-98(59-81-35-41-85(187)42-36-81)129(210)163-92(33-26-53-154-141(149)150)124(205)161-89(30-20-23-50-143)122(203)165-94(47-48-107(147)190)127(208)166-95(49-55-222-15)121(202)159-78(13)118(199)180-111(73(6)7)137(218)167-91(32-22-25-52-145)123(204)162-90(31-21-24-51-144)125(206)171-99(60-82-37-43-86(188)44-38-82)130(211)169-97(57-72(4)5)128(209)160-76(11)116(197)158-77(12)117(198)181-112(74(8)9)138(219)168-96(115(148)196)56-71(2)3/h17-19,28-29,35-46,65,70-79,88-106,111-114,183-189H,16,20-27,30-34,47-64,66-69,143-146H2,1-15H3,(H2,147,190)(H2,148,196)(H,153,157)(H,156,201)(H,158,197)(H,159,202)(H,160,209)(H,161,205)(H,162,204)(H,163,210)(H,164,215)(H,165,203)(H,166,208)(H,167,218)(H,168,219)(H,169,211)(H,170,207)(H,171,206)(H,172,217)(H,173,216)(H,174,220)(H,175,221)(H,176,200)(H,177,212)(H,178,213)(H,179,191)(H,180,199)(H,181,198)(H,182,214)(H,192,193)(H,194,195)(H4,149,150,154)(H4,151,152,155)/t75-,76-,77-,78-,79+,88+,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,111-,112-,113-,114-/m0/s1
Affinity DataIC50: 4.90nMAssay Description:Displacement of [125I]Ac-PACAP27 from human recombinant PAC1 receptor expressed in CHO cells by gamma- counterMore data for this Ligand-Target Pair
TargetPituitary adenylate cyclase-activating polypeptide type I receptor(Homo sapiens (Human))
Abbott Laboratories

Curated by ChEMBL
LigandPNGBDBM50250077(CHEMBL503123 | [Nal6]PACAP38)
Show SMILES CC[C@H](C)[C@H](NC(=O)CNC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)N[C@@H](Cc1cccc2ccccc12)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCCN)C(N)=O
Show InChI InChI=1S/C207H333N63O53S/c1-18-111(12)166(266-160(283)101-234-174(294)151(97-161(284)285)259-197(317)153(102-271)263-172(292)128(215)95-122-99-228-105-235-122)202(322)261-149(94-121-42-35-41-120-40-19-20-43-127(120)121)195(315)270-167(115(16)274)203(323)262-152(98-162(286)287)194(314)265-155(104-273)198(318)257-148(93-119-61-69-126(278)70-62-119)192(312)264-154(103-272)196(316)247-138(53-38-85-231-206(224)225)184(304)255-146(91-117-57-65-124(276)66-58-117)190(310)246-136(51-36-83-229-204(220)221)180(300)241-131(46-23-30-78-210)177(297)249-141(72-74-157(217)280)186(306)250-142(75-87-324-17)175(295)237-114(15)171(291)267-163(108(6)7)199(319)251-134(49-26-33-81-213)179(299)242-133(48-25-32-80-212)181(301)256-147(92-118-59-67-125(277)68-60-118)191(311)253-144(89-107(4)5)188(308)238-112(13)169(289)236-113(14)170(290)268-164(109(8)9)201(321)260-143(88-106(2)3)173(293)233-100-159(282)239-130(45-22-29-77-209)176(296)243-137(52-37-84-230-205(222)223)183(303)254-145(90-116-55-63-123(275)64-56-116)189(309)245-132(47-24-31-79-211)178(298)248-140(71-73-156(216)279)185(305)244-139(54-39-86-232-207(226)227)187(307)269-165(110(10)11)200(320)252-135(50-27-34-82-214)182(302)258-150(96-158(218)281)193(313)240-129(168(219)288)44-21-28-76-208/h19-20,35,40-43,55-70,99,105-115,128-155,163-167,271-278H,18,21-34,36-39,44-54,71-98,100-104,208-215H2,1-17H3,(H2,216,279)(H2,217,280)(H2,218,281)(H2,219,288)(H,228,235)(H,233,293)(H,234,294)(H,236,289)(H,237,295)(H,238,308)(H,239,282)(H,240,313)(H,241,300)(H,242,299)(H,243,296)(H,244,305)(H,245,309)(H,246,310)(H,247,316)(H,248,298)(H,249,297)(H,250,306)(H,251,319)(H,252,320)(H,253,311)(H,254,303)(H,255,304)(H,256,301)(H,257,318)(H,258,302)(H,259,317)(H,260,321)(H,261,322)(H,262,323)(H,263,292)(H,264,312)(H,265,314)(H,266,283)(H,267,291)(H,268,290)(H,269,307)(H,270,315)(H,284,285)(H,286,287)(H4,220,221,229)(H4,222,223,230)(H4,224,225,231)(H4,226,227,232)/t111-,112-,113-,114-,115+,128-,129-,130-,131-,132-,133-,134-,135-,136-,137-,138-,139-,140-,141-,142-,143-,144-,145-,146-,147-,148-,149-,150-,151-,152-,153-,154-,155-,163-,164-,165-,166-,167-/m0/s1
Affinity DataIC50: 5nMAssay Description:Displacement of [125I]Ac-PACAP27 from human recombinant PAC1 receptor expressed in CHO cells by gamma- counterMore data for this Ligand-Target Pair
TargetPituitary adenylate cyclase-activating polypeptide type I receptor(Homo sapiens (Human))
Abbott Laboratories

Curated by ChEMBL
LigandPNGBDBM50250022(CHEMBL525392 | [Ala2]PACAP27)
Show SMILES CC[C@H](C)[C@H](NC(=O)CNC(=O)[C@H](CC(O)=O)NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)C(N)=O
Show InChI InChI=1S/C142H224N40O38S/c1-17-75(10)113(179-108(190)67-156-121(201)103(64-109(191)192)170-117(197)77(12)159-120(200)89(146)63-85-66-153-70-157-85)139(219)175-102(59-81-29-19-18-20-30-81)134(214)182-114(80(15)185)140(220)176-104(65-110(193)194)133(213)178-106(69-184)136(216)174-101(62-84-40-46-88(188)47-41-84)132(212)177-105(68-183)135(215)165-94(35-28-55-155-142(151)152)127(207)172-99(60-82-36-42-86(186)43-37-82)130(210)164-93(34-27-54-154-141(149)150)125(205)162-90(31-21-24-51-143)123(203)166-95(48-49-107(147)189)128(208)167-96(50-56-221-16)122(202)160-79(14)119(199)180-111(73(6)7)137(217)168-92(33-23-26-53-145)124(204)163-91(32-22-25-52-144)126(206)173-100(61-83-38-44-87(187)45-39-83)131(211)171-98(58-72(4)5)129(209)161-76(11)116(196)158-78(13)118(198)181-112(74(8)9)138(218)169-97(115(148)195)57-71(2)3/h18-20,29-30,36-47,66,70-80,89-106,111-114,183-188H,17,21-28,31-35,48-65,67-69,143-146H2,1-16H3,(H2,147,189)(H2,148,195)(H,153,157)(H,156,201)(H,158,196)(H,159,200)(H,160,202)(H,161,209)(H,162,205)(H,163,204)(H,164,210)(H,165,215)(H,166,203)(H,167,208)(H,168,217)(H,169,218)(H,170,197)(H,171,211)(H,172,207)(H,173,206)(H,174,216)(H,175,219)(H,176,220)(H,177,212)(H,178,213)(H,179,190)(H,180,199)(H,181,198)(H,182,214)(H,191,192)(H,193,194)(H4,149,150,154)(H4,151,152,155)/t75-,76-,77-,78-,79-,80+,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,111-,112-,113-,114-/m0/s1
Affinity DataIC50: 5.10nMAssay Description:Displacement of [125I]Ac-PACAP27 from human recombinant PAC1 receptor expressed in CHO cells by gamma- counterMore data for this Ligand-Target Pair
TargetPituitary adenylate cyclase-activating polypeptide type I receptor(Homo sapiens (Human))
Abbott Laboratories

Curated by ChEMBL
LigandPNGBDBM50250035(CHEMBL525073 | [D-His1]PACAP38)
Show SMILES CC[C@H](C)[C@H](NC(=O)CNC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@H](N)Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCCN)C(N)=O
Show InChI InChI=1S/C203H331N63O53S/c1-18-109(12)162(262-156(279)99-230-170(290)147(95-157(280)281)255-193(313)149(100-267)259-168(288)124(211)93-119-97-224-103-231-119)198(318)257-145(88-114-40-20-19-21-41-114)191(311)266-163(113(16)270)199(319)258-148(96-158(282)283)190(310)261-151(102-269)194(314)253-144(92-118-59-67-123(274)68-60-118)188(308)260-150(101-268)192(312)243-134(51-38-83-227-202(220)221)180(300)251-142(90-116-55-63-121(272)64-56-116)186(306)242-132(49-36-81-225-200(216)217)176(296)237-127(44-24-31-76-206)173(293)245-137(70-72-153(213)276)182(302)246-138(73-85-320-17)171(291)233-112(15)167(287)263-159(106(6)7)195(315)247-130(47-27-34-79-209)175(295)238-129(46-26-33-78-208)177(297)252-143(91-117-57-65-122(273)66-58-117)187(307)249-140(87-105(4)5)184(304)234-110(13)165(285)232-111(14)166(286)264-160(107(8)9)197(317)256-139(86-104(2)3)169(289)229-98-155(278)235-126(43-23-30-75-205)172(292)239-133(50-37-82-226-201(218)219)179(299)250-141(89-115-53-61-120(271)62-54-115)185(305)241-128(45-25-32-77-207)174(294)244-136(69-71-152(212)275)181(301)240-135(52-39-84-228-203(222)223)183(303)265-161(108(10)11)196(316)248-131(48-28-35-80-210)178(298)254-146(94-154(214)277)189(309)236-125(164(215)284)42-22-29-74-204/h19-21,40-41,53-68,97,103-113,124-151,159-163,267-274H,18,22-39,42-52,69-96,98-102,204-211H2,1-17H3,(H2,212,275)(H2,213,276)(H2,214,277)(H2,215,284)(H,224,231)(H,229,289)(H,230,290)(H,232,285)(H,233,291)(H,234,304)(H,235,278)(H,236,309)(H,237,296)(H,238,295)(H,239,292)(H,240,301)(H,241,305)(H,242,306)(H,243,312)(H,244,294)(H,245,293)(H,246,302)(H,247,315)(H,248,316)(H,249,307)(H,250,299)(H,251,300)(H,252,297)(H,253,314)(H,254,298)(H,255,313)(H,256,317)(H,257,318)(H,258,319)(H,259,288)(H,260,308)(H,261,310)(H,262,279)(H,263,287)(H,264,286)(H,265,303)(H,266,311)(H,280,281)(H,282,283)(H4,216,217,225)(H4,218,219,226)(H4,220,221,227)(H4,222,223,228)/t109-,110-,111-,112-,113+,124+,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,135-,136-,137-,138-,139-,140-,141-,142-,143-,144-,145-,146-,147-,148-,149-,150-,151-,159-,160-,161-,162-,163-/m0/s1
Affinity DataIC50: 5.30nMAssay Description:Displacement of [125I]Ac-PACAP27 from human recombinant PAC1 receptor expressed in CHO cells by gamma- counterMore data for this Ligand-Target Pair
TargetPituitary adenylate cyclase-activating polypeptide type I receptor(Homo sapiens (Human))
Abbott Laboratories

Curated by ChEMBL
LigandPNGBDBM50250075(CHEMBL526315 | [Bip6]PACAP38)
Show SMILES CC[C@H](C)[C@H](NC(=O)CNC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(cc1)-c1ccccc1)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCCN)C(N)=O
Show InChI InChI=1S/C209H335N63O53S/c1-18-113(12)168(268-162(285)103-236-176(296)153(99-163(286)287)261-199(319)155(104-273)265-174(294)130(217)97-125-101-230-107-237-125)204(324)263-151(92-118-53-63-124(64-54-118)123-40-20-19-21-41-123)197(317)272-169(117(16)276)205(325)264-154(100-164(288)289)196(316)267-157(106-275)200(320)259-150(96-122-61-71-129(280)72-62-122)194(314)266-156(105-274)198(318)249-140(51-38-87-233-208(226)227)186(306)257-148(94-120-57-67-127(278)68-58-120)192(312)248-138(49-36-85-231-206(222)223)182(302)243-133(44-24-31-80-212)179(299)251-143(74-76-159(219)282)188(308)252-144(77-89-326-17)177(297)239-116(15)173(293)269-165(110(6)7)201(321)253-136(47-27-34-83-215)181(301)244-135(46-26-33-82-214)183(303)258-149(95-121-59-69-128(279)70-60-121)193(313)255-146(91-109(4)5)190(310)240-114(13)171(291)238-115(14)172(292)270-166(111(8)9)203(323)262-145(90-108(2)3)175(295)235-102-161(284)241-132(43-23-30-79-211)178(298)245-139(50-37-86-232-207(224)225)185(305)256-147(93-119-55-65-126(277)66-56-119)191(311)247-134(45-25-32-81-213)180(300)250-142(73-75-158(218)281)187(307)246-141(52-39-88-234-209(228)229)189(309)271-167(112(10)11)202(322)254-137(48-28-35-84-216)184(304)260-152(98-160(220)283)195(315)242-131(170(221)290)42-22-29-78-210/h19-21,40-41,53-72,101,107-117,130-157,165-169,273-280H,18,22-39,42-52,73-100,102-106,210-217H2,1-17H3,(H2,218,281)(H2,219,282)(H2,220,283)(H2,221,290)(H,230,237)(H,235,295)(H,236,296)(H,238,291)(H,239,297)(H,240,310)(H,241,284)(H,242,315)(H,243,302)(H,244,301)(H,245,298)(H,246,307)(H,247,311)(H,248,312)(H,249,318)(H,250,300)(H,251,299)(H,252,308)(H,253,321)(H,254,322)(H,255,313)(H,256,305)(H,257,306)(H,258,303)(H,259,320)(H,260,304)(H,261,319)(H,262,323)(H,263,324)(H,264,325)(H,265,294)(H,266,314)(H,267,316)(H,268,285)(H,269,293)(H,270,292)(H,271,309)(H,272,317)(H,286,287)(H,288,289)(H4,222,223,231)(H4,224,225,232)(H4,226,227,233)(H4,228,229,234)/t113-,114-,115-,116-,117+,130-,131-,132-,133-,134-,135-,136-,137-,138-,139-,140-,141-,142-,143-,144-,145-,146-,147-,148-,149-,150-,151-,152-,153-,154-,155-,156-,157-,165-,166-,167-,168-,169-/m0/s1
Affinity DataIC50: 5.40nMAssay Description:Displacement of [125I]Ac-PACAP27 from human recombinant PAC1 receptor expressed in CHO cells by gamma- counterMore data for this Ligand-Target Pair
TargetPituitary adenylate cyclase-activating polypeptide type I receptor(Homo sapiens (Human))
Abbott Laboratories

Curated by ChEMBL
LigandPNGBDBM50250059(Ac-PACAP38 | CHEMBL530563)
Show SMILES CC[C@H](C)[C@H](NC(=O)CNC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1cnc[nH]1)NC(C)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCCN)C(N)=O
Show InChI InChI=1S/C205H333N63O54S/c1-19-110(12)164(264-158(282)100-231-171(292)149(96-159(283)284)257-196(317)153(103-271)262-190(311)147(236-115(17)273)94-121-98-225-104-232-121)200(321)259-146(89-116-41-21-20-22-42-116)193(314)268-165(114(16)272)201(322)260-150(97-160(285)286)192(313)263-152(102-270)195(316)255-145(93-120-60-68-125(277)69-61-120)189(310)261-151(101-269)194(315)245-135(52-39-84-228-204(221)222)181(302)253-143(91-118-56-64-123(275)65-57-118)187(308)244-133(50-37-82-226-202(217)218)177(298)239-128(45-25-32-77-208)174(295)247-138(71-73-155(214)279)183(304)248-139(74-86-323-18)172(293)234-113(15)169(290)265-161(107(6)7)197(318)249-131(48-28-35-80-211)176(297)240-130(47-27-34-79-210)178(299)254-144(92-119-58-66-124(276)67-59-119)188(309)251-141(88-106(4)5)185(306)235-111(13)167(288)233-112(14)168(289)266-162(108(8)9)199(320)258-140(87-105(2)3)170(291)230-99-157(281)237-127(44-24-31-76-207)173(294)241-134(51-38-83-227-203(219)220)180(301)252-142(90-117-54-62-122(274)63-55-117)186(307)243-129(46-26-33-78-209)175(296)246-137(70-72-154(213)278)182(303)242-136(53-40-85-229-205(223)224)184(305)267-163(109(10)11)198(319)250-132(49-29-36-81-212)179(300)256-148(95-156(215)280)191(312)238-126(166(216)287)43-23-30-75-206/h20-22,41-42,54-69,98,104-114,126-153,161-165,269-272,274-277H,19,23-40,43-53,70-97,99-103,206-212H2,1-18H3,(H2,213,278)(H2,214,279)(H2,215,280)(H2,216,287)(H,225,232)(H,230,291)(H,231,292)(H,233,288)(H,234,293)(H,235,306)(H,236,273)(H,237,281)(H,238,312)(H,239,298)(H,240,297)(H,241,294)(H,242,303)(H,243,307)(H,244,308)(H,245,315)(H,246,296)(H,247,295)(H,248,304)(H,249,318)(H,250,319)(H,251,309)(H,252,301)(H,253,302)(H,254,299)(H,255,316)(H,256,300)(H,257,317)(H,258,320)(H,259,321)(H,260,322)(H,261,310)(H,262,311)(H,263,313)(H,264,282)(H,265,290)(H,266,289)(H,267,305)(H,268,314)(H,283,284)(H,285,286)(H4,217,218,226)(H4,219,220,227)(H4,221,222,228)(H4,223,224,229)/t110-,111-,112-,113-,114+,126-,127-,128-,129-,130-,131-,132-,133-,134-,135-,136-,137-,138-,139-,140-,141-,142-,143-,144-,145-,146-,147-,148-,149-,150-,151-,152-,153-,161-,162-,163-,164-,165-/m0/s1
Affinity DataIC50: 5.70nMAssay Description:Displacement of [125I]Ac-PACAP27 from human recombinant PAC1 receptor expressed in CHO cells by gamma- counterMore data for this Ligand-Target Pair
TargetPituitary adenylate cyclase-activating polypeptide type I receptor(Homo sapiens (Human))
Abbott Laboratories

Curated by ChEMBL
LigandPNGBDBM50250019(CHEMBL524658 | PACAP | PACAP(1-38) | PACAP-38 | PA...)
Show SMILES CC[C@H](C)[C@H](NC(=O)CNC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCCN)C(N)=O
Show InChI InChI=1S/C203H331N63O53S/c1-18-109(12)162(262-156(279)99-230-170(290)147(95-157(280)281)255-193(313)149(100-267)259-168(288)124(211)93-119-97-224-103-231-119)198(318)257-145(88-114-40-20-19-21-41-114)191(311)266-163(113(16)270)199(319)258-148(96-158(282)283)190(310)261-151(102-269)194(314)253-144(92-118-59-67-123(274)68-60-118)188(308)260-150(101-268)192(312)243-134(51-38-83-227-202(220)221)180(300)251-142(90-116-55-63-121(272)64-56-116)186(306)242-132(49-36-81-225-200(216)217)176(296)237-127(44-24-31-76-206)173(293)245-137(70-72-153(213)276)182(302)246-138(73-85-320-17)171(291)233-112(15)167(287)263-159(106(6)7)195(315)247-130(47-27-34-79-209)175(295)238-129(46-26-33-78-208)177(297)252-143(91-117-57-65-122(273)66-58-117)187(307)249-140(87-105(4)5)184(304)234-110(13)165(285)232-111(14)166(286)264-160(107(8)9)197(317)256-139(86-104(2)3)169(289)229-98-155(278)235-126(43-23-30-75-205)172(292)239-133(50-37-82-226-201(218)219)179(299)250-141(89-115-53-61-120(271)62-54-115)185(305)241-128(45-25-32-77-207)174(294)244-136(69-71-152(212)275)181(301)240-135(52-39-84-228-203(222)223)183(303)265-161(108(10)11)196(316)248-131(48-28-35-80-210)178(298)254-146(94-154(214)277)189(309)236-125(164(215)284)42-22-29-74-204/h19-21,40-41,53-68,97,103-113,124-151,159-163,267-274H,18,22-39,42-52,69-96,98-102,204-211H2,1-17H3,(H2,212,275)(H2,213,276)(H2,214,277)(H2,215,284)(H,224,231)(H,229,289)(H,230,290)(H,232,285)(H,233,291)(H,234,304)(H,235,278)(H,236,309)(H,237,296)(H,238,295)(H,239,292)(H,240,301)(H,241,305)(H,242,306)(H,243,312)(H,244,294)(H,245,293)(H,246,302)(H,247,315)(H,248,316)(H,249,307)(H,250,299)(H,251,300)(H,252,297)(H,253,314)(H,254,298)(H,255,313)(H,256,317)(H,257,318)(H,258,319)(H,259,288)(H,260,308)(H,261,310)(H,262,279)(H,263,287)(H,264,286)(H,265,303)(H,266,311)(H,280,281)(H,282,283)(H4,216,217,225)(H4,218,219,226)(H4,220,221,227)(H4,222,223,228)/t109-,110-,111-,112-,113+,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,135-,136-,137-,138-,139-,140-,141-,142-,143-,144-,145-,146-,147-,148-,149-,150-,151-,159-,160-,161-,162-,163-/m0/s1
Affinity DataIC50: 6.10nMAssay Description:Displacement of [125I]Ac-PACAP27 from human recombinant PAC1 receptor expressed in CHO cells by gamma- counterMore data for this Ligand-Target Pair
TargetPituitary adenylate cyclase-activating polypeptide type I receptor(Homo sapiens (Human))
Abbott Laboratories

Curated by ChEMBL
LigandPNGBDBM50250076(CHEMBL525613 | [Nal6]PACAP27)
Show SMILES CC[C@H](C)[C@H](NC(=O)CNC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)N[C@@H](Cc1cccc2ccccc12)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)C(N)=O
Show InChI InChI=1S/C146H226N40O39S/c1-16-77(10)117(183-112(195)68-160-124(205)106(65-113(196)197)177-139(220)108(69-187)180-123(204)92(150)64-87-67-157-72-161-87)143(224)178-105(63-86-30-25-29-85-28-17-18-31-91(85)86)137(218)186-118(81(14)190)144(225)179-107(66-114(198)199)136(217)182-110(71-189)140(221)176-104(62-84-41-47-90(193)48-42-84)135(216)181-109(70-188)138(219)168-97(36-27-56-159-146(155)156)130(211)174-102(60-82-37-43-88(191)44-38-82)133(214)167-96(35-26-55-158-145(153)154)128(209)165-93(32-19-22-52-147)126(207)169-98(49-50-111(151)194)131(212)170-99(51-57-226-15)125(206)163-80(13)122(203)184-115(75(6)7)141(222)171-95(34-21-24-54-149)127(208)166-94(33-20-23-53-148)129(210)175-103(61-83-39-45-89(192)46-40-83)134(215)173-101(59-74(4)5)132(213)164-78(11)120(201)162-79(12)121(202)185-116(76(8)9)142(223)172-100(119(152)200)58-73(2)3/h17-18,25,28-31,37-48,67,72-81,92-110,115-118,187-193H,16,19-24,26-27,32-36,49-66,68-71,147-150H2,1-15H3,(H2,151,194)(H2,152,200)(H,157,161)(H,160,205)(H,162,201)(H,163,206)(H,164,213)(H,165,209)(H,166,208)(H,167,214)(H,168,219)(H,169,207)(H,170,212)(H,171,222)(H,172,223)(H,173,215)(H,174,211)(H,175,210)(H,176,221)(H,177,220)(H,178,224)(H,179,225)(H,180,204)(H,181,216)(H,182,217)(H,183,195)(H,184,203)(H,185,202)(H,186,218)(H,196,197)(H,198,199)(H4,153,154,158)(H4,155,156,159)/t77-,78-,79-,80-,81+,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,115-,116-,117-,118-/m0/s1
Affinity DataIC50: 6.5nMAssay Description:Displacement of [125I]Ac-PACAP27 from human recombinant PAC1 receptor expressed in CHO cells by gamma- counterMore data for this Ligand-Target Pair
TargetPituitary adenylate cyclase-activating polypeptide type I receptor(Homo sapiens (Human))
Abbott Laboratories

Curated by ChEMBL
LigandPNGBDBM50250071(CHEMBL524683 | [Cha6]PACAP38)
Show SMILES CC[C@H](C)[C@H](NC(=O)CNC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCCN)C(N)=O
Show InChI InChI=1S/C203H337N63O53S/c1-18-109(12)162(262-156(279)99-230-170(290)147(95-157(280)281)255-193(313)149(100-267)259-168(288)124(211)93-119-97-224-103-231-119)198(318)257-145(88-114-40-20-19-21-41-114)191(311)266-163(113(16)270)199(319)258-148(96-158(282)283)190(310)261-151(102-269)194(314)253-144(92-118-59-67-123(274)68-60-118)188(308)260-150(101-268)192(312)243-134(51-38-83-227-202(220)221)180(300)251-142(90-116-55-63-121(272)64-56-116)186(306)242-132(49-36-81-225-200(216)217)176(296)237-127(44-24-31-76-206)173(293)245-137(70-72-153(213)276)182(302)246-138(73-85-320-17)171(291)233-112(15)167(287)263-159(106(6)7)195(315)247-130(47-27-34-79-209)175(295)238-129(46-26-33-78-208)177(297)252-143(91-117-57-65-122(273)66-58-117)187(307)249-140(87-105(4)5)184(304)234-110(13)165(285)232-111(14)166(286)264-160(107(8)9)197(317)256-139(86-104(2)3)169(289)229-98-155(278)235-126(43-23-30-75-205)172(292)239-133(50-37-82-226-201(218)219)179(299)250-141(89-115-53-61-120(271)62-54-115)185(305)241-128(45-25-32-77-207)174(294)244-136(69-71-152(212)275)181(301)240-135(52-39-84-228-203(222)223)183(303)265-161(108(10)11)196(316)248-131(48-28-35-80-210)178(298)254-146(94-154(214)277)189(309)236-125(164(215)284)42-22-29-74-204/h53-68,97,103-114,124-151,159-163,267-274H,18-52,69-96,98-102,204-211H2,1-17H3,(H2,212,275)(H2,213,276)(H2,214,277)(H2,215,284)(H,224,231)(H,229,289)(H,230,290)(H,232,285)(H,233,291)(H,234,304)(H,235,278)(H,236,309)(H,237,296)(H,238,295)(H,239,292)(H,240,301)(H,241,305)(H,242,306)(H,243,312)(H,244,294)(H,245,293)(H,246,302)(H,247,315)(H,248,316)(H,249,307)(H,250,299)(H,251,300)(H,252,297)(H,253,314)(H,254,298)(H,255,313)(H,256,317)(H,257,318)(H,258,319)(H,259,288)(H,260,308)(H,261,310)(H,262,279)(H,263,287)(H,264,286)(H,265,303)(H,266,311)(H,280,281)(H,282,283)(H4,216,217,225)(H4,218,219,226)(H4,220,221,227)(H4,222,223,228)/t109-,110-,111-,112-,113+,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,135-,136-,137-,138-,139-,140-,141-,142-,143-,144-,145-,146-,147-,148-,149-,150-,151-,159-,160-,161-,162-,163-/m0/s1
Affinity DataIC50: 6.60nMAssay Description:Displacement of [125I]Ac-PACAP27 from human recombinant PAC1 receptor expressed in CHO cells by gamma- counterMore data for this Ligand-Target Pair
TargetPituitary adenylate cyclase-activating polypeptide type I receptor(Homo sapiens (Human))
Abbott Laboratories

Curated by ChEMBL
LigandPNGBDBM50250037(CHEMBL524894 | [D-Ser2]PACAP38)
Show SMILES CC[C@H](C)[C@H](NC(=O)CNC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](CO)NC(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCCN)C(N)=O
Show InChI InChI=1S/C203H331N63O53S/c1-18-109(12)162(262-156(279)99-230-170(290)147(95-157(280)281)255-193(313)149(100-267)259-168(288)124(211)93-119-97-224-103-231-119)198(318)257-145(88-114-40-20-19-21-41-114)191(311)266-163(113(16)270)199(319)258-148(96-158(282)283)190(310)261-151(102-269)194(314)253-144(92-118-59-67-123(274)68-60-118)188(308)260-150(101-268)192(312)243-134(51-38-83-227-202(220)221)180(300)251-142(90-116-55-63-121(272)64-56-116)186(306)242-132(49-36-81-225-200(216)217)176(296)237-127(44-24-31-76-206)173(293)245-137(70-72-153(213)276)182(302)246-138(73-85-320-17)171(291)233-112(15)167(287)263-159(106(6)7)195(315)247-130(47-27-34-79-209)175(295)238-129(46-26-33-78-208)177(297)252-143(91-117-57-65-122(273)66-58-117)187(307)249-140(87-105(4)5)184(304)234-110(13)165(285)232-111(14)166(286)264-160(107(8)9)197(317)256-139(86-104(2)3)169(289)229-98-155(278)235-126(43-23-30-75-205)172(292)239-133(50-37-82-226-201(218)219)179(299)250-141(89-115-53-61-120(271)62-54-115)185(305)241-128(45-25-32-77-207)174(294)244-136(69-71-152(212)275)181(301)240-135(52-39-84-228-203(222)223)183(303)265-161(108(10)11)196(316)248-131(48-28-35-80-210)178(298)254-146(94-154(214)277)189(309)236-125(164(215)284)42-22-29-74-204/h19-21,40-41,53-68,97,103-113,124-151,159-163,267-274H,18,22-39,42-52,69-96,98-102,204-211H2,1-17H3,(H2,212,275)(H2,213,276)(H2,214,277)(H2,215,284)(H,224,231)(H,229,289)(H,230,290)(H,232,285)(H,233,291)(H,234,304)(H,235,278)(H,236,309)(H,237,296)(H,238,295)(H,239,292)(H,240,301)(H,241,305)(H,242,306)(H,243,312)(H,244,294)(H,245,293)(H,246,302)(H,247,315)(H,248,316)(H,249,307)(H,250,299)(H,251,300)(H,252,297)(H,253,314)(H,254,298)(H,255,313)(H,256,317)(H,257,318)(H,258,319)(H,259,288)(H,260,308)(H,261,310)(H,262,279)(H,263,287)(H,264,286)(H,265,303)(H,266,311)(H,280,281)(H,282,283)(H4,216,217,225)(H4,218,219,226)(H4,220,221,227)(H4,222,223,228)/t109-,110-,111-,112-,113+,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,135-,136-,137-,138-,139-,140-,141-,142-,143-,144-,145-,146-,147-,148-,149+,150-,151-,159-,160-,161-,162-,163-/m0/s1
Affinity DataIC50: 6.60nMAssay Description:Displacement of [125I]Ac-PACAP27 from human recombinant PAC1 receptor expressed in CHO cells by gamma- counterMore data for this Ligand-Target Pair
TargetPituitary adenylate cyclase-activating polypeptide type I receptor(Homo sapiens (Human))
Abbott Laboratories

Curated by ChEMBL
LigandPNGBDBM50250073(CHEMBL526360 | [Tyr6]PACAP38)
Show SMILES CC[C@H](C)[C@H](NC(=O)CNC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCCN)C(N)=O
Show InChI InChI=1S/C203H331N63O54S/c1-18-108(12)162(262-156(280)98-230-170(291)147(94-157(281)282)255-193(314)149(99-267)259-168(289)124(211)92-118-96-224-102-231-118)198(319)257-145(91-117-56-66-123(275)67-57-117)191(312)266-163(112(16)270)199(320)258-148(95-158(283)284)190(311)261-151(101-269)194(315)253-144(90-116-54-64-122(274)65-55-116)188(309)260-150(100-268)192(313)243-134(46-35-82-227-202(220)221)180(301)251-142(88-114-50-60-120(272)61-51-114)186(307)242-132(44-33-80-225-200(216)217)176(297)237-127(39-21-28-75-206)173(294)245-137(69-71-153(213)277)182(303)246-138(72-84-321-17)171(292)233-111(15)167(288)263-159(105(6)7)195(316)247-130(42-24-31-78-209)175(296)238-129(41-23-30-77-208)177(298)252-143(89-115-52-62-121(273)63-53-115)187(308)249-140(86-104(4)5)184(305)234-109(13)165(286)232-110(14)166(287)264-160(106(8)9)197(318)256-139(85-103(2)3)169(290)229-97-155(279)235-126(38-20-27-74-205)172(293)239-133(45-34-81-226-201(218)219)179(300)250-141(87-113-48-58-119(271)59-49-113)185(306)241-128(40-22-29-76-207)174(295)244-136(68-70-152(212)276)181(302)240-135(47-36-83-228-203(222)223)183(304)265-161(107(10)11)196(317)248-131(43-25-32-79-210)178(299)254-146(93-154(214)278)189(310)236-125(164(215)285)37-19-26-73-204/h48-67,96,102-112,124-151,159-163,267-275H,18-47,68-95,97-101,204-211H2,1-17H3,(H2,212,276)(H2,213,277)(H2,214,278)(H2,215,285)(H,224,231)(H,229,290)(H,230,291)(H,232,286)(H,233,292)(H,234,305)(H,235,279)(H,236,310)(H,237,297)(H,238,296)(H,239,293)(H,240,302)(H,241,306)(H,242,307)(H,243,313)(H,244,295)(H,245,294)(H,246,303)(H,247,316)(H,248,317)(H,249,308)(H,250,300)(H,251,301)(H,252,298)(H,253,315)(H,254,299)(H,255,314)(H,256,318)(H,257,319)(H,258,320)(H,259,289)(H,260,309)(H,261,311)(H,262,280)(H,263,288)(H,264,287)(H,265,304)(H,266,312)(H,281,282)(H,283,284)(H4,216,217,225)(H4,218,219,226)(H4,220,221,227)(H4,222,223,228)/t108-,109-,110-,111-,112+,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,135-,136-,137-,138-,139-,140-,141-,142-,143-,144-,145-,146-,147-,148-,149-,150-,151-,159-,160-,161-,162-,163-/m0/s1
Affinity DataIC50: 6.70nMAssay Description:Displacement of [125I]Ac-PACAP27 from human recombinant PAC1 receptor expressed in CHO cells by gamma- counterMore data for this Ligand-Target Pair
TargetPituitary adenylate cyclase-activating polypeptide type I receptor(Homo sapiens (Human))
Abbott Laboratories

Curated by ChEMBL
LigandPNGBDBM50250069(CHEMBL524494 | [Glu3]PACAP38)
Show SMILES CC[C@H](C)[C@H](NC(=O)CNC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCCN)C(N)=O
Show InChI InChI=1S/C204H333N63O53S/c1-18-110(12)163(263-157(280)100-230-170(290)137(71-74-158(281)282)245-193(313)150(101-268)260-169(289)125(212)95-120-98-225-104-232-120)199(319)258-147(90-115-40-20-19-21-41-115)192(312)267-164(114(16)271)200(320)259-149(97-159(283)284)191(311)262-152(103-270)195(315)255-146(94-119-59-67-124(275)68-60-119)189(309)261-151(102-269)194(314)244-135(51-38-85-228-203(221)222)181(301)253-144(92-117-55-63-122(273)64-56-117)187(307)243-133(49-36-83-226-201(217)218)177(297)238-128(44-24-31-78-207)174(294)247-139(70-73-154(214)277)183(303)248-140(75-87-321-17)172(292)234-113(15)168(288)264-160(107(6)7)196(316)249-131(47-27-34-81-210)176(296)239-130(46-26-33-80-209)178(298)254-145(93-118-57-65-123(274)66-58-118)188(308)251-142(89-106(4)5)185(305)235-111(13)166(286)233-112(14)167(287)265-161(108(8)9)198(318)257-141(88-105(2)3)171(291)231-99-156(279)236-127(43-23-30-77-206)173(293)240-134(50-37-84-227-202(219)220)180(300)252-143(91-116-53-61-121(272)62-54-116)186(306)242-129(45-25-32-79-208)175(295)246-138(69-72-153(213)276)182(302)241-136(52-39-86-229-204(223)224)184(304)266-162(109(10)11)197(317)250-132(48-28-35-82-211)179(299)256-148(96-155(215)278)190(310)237-126(165(216)285)42-22-29-76-205/h19-21,40-41,53-68,98,104-114,125-152,160-164,268-275H,18,22-39,42-52,69-97,99-103,205-212H2,1-17H3,(H2,213,276)(H2,214,277)(H2,215,278)(H2,216,285)(H,225,232)(H,230,290)(H,231,291)(H,233,286)(H,234,292)(H,235,305)(H,236,279)(H,237,310)(H,238,297)(H,239,296)(H,240,293)(H,241,302)(H,242,306)(H,243,307)(H,244,314)(H,245,313)(H,246,295)(H,247,294)(H,248,303)(H,249,316)(H,250,317)(H,251,308)(H,252,300)(H,253,301)(H,254,298)(H,255,315)(H,256,299)(H,257,318)(H,258,319)(H,259,320)(H,260,289)(H,261,309)(H,262,311)(H,263,280)(H,264,288)(H,265,287)(H,266,304)(H,267,312)(H,281,282)(H,283,284)(H4,217,218,226)(H4,219,220,227)(H4,221,222,228)(H4,223,224,229)/t110-,111-,112-,113-,114+,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,135-,136-,137-,138-,139-,140-,141-,142-,143-,144-,145-,146-,147-,148-,149-,150-,151-,152-,160-,161-,162-,163-,164-/m0/s1
Affinity DataIC50: 7nMAssay Description:Displacement of [125I]Ac-PACAP27 from human recombinant PAC1 receptor expressed in CHO cells by gamma- counterMore data for this Ligand-Target Pair
TargetPituitary adenylate cyclase-activating polypeptide type I receptor(Homo sapiens (Human))
Abbott Laboratories

Curated by ChEMBL
LigandPNGBDBM50250085(CHEMBL506517 | [Aib2]PACAP38)
Show SMILES CC[C@H](C)[C@H](NC(=O)CNC(=O)[C@H](CC(O)=O)NC(=O)C(C)(C)NC(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCCN)C(N)=O
Show InChI InChI=1S/C204H333N63O52S/c1-20-110(12)162(262-156(279)101-231-170(290)148(97-157(280)281)261-199(319)204(17,18)267-168(288)125(212)95-120-99-225-104-232-120)197(317)257-146(90-115-42-22-21-23-43-115)191(311)266-163(114(16)270)198(318)258-149(98-158(282)283)190(310)260-151(103-269)193(313)254-145(94-119-61-69-124(274)70-62-119)188(308)259-150(102-268)192(312)244-135(53-40-85-228-202(221)222)180(300)252-143(92-117-57-65-122(272)66-58-117)186(306)243-133(51-38-83-226-200(217)218)176(296)238-128(46-26-33-78-207)173(293)246-138(72-74-153(214)276)182(302)247-139(75-87-320-19)171(291)234-113(15)167(287)263-159(107(6)7)194(314)248-131(49-29-36-81-210)175(295)239-130(48-28-35-80-209)177(297)253-144(93-118-59-67-123(273)68-60-118)187(307)250-141(89-106(4)5)184(304)235-111(13)165(285)233-112(14)166(286)264-160(108(8)9)196(316)256-140(88-105(2)3)169(289)230-100-155(278)236-127(45-25-32-77-206)172(292)240-134(52-39-84-227-201(219)220)179(299)251-142(91-116-55-63-121(271)64-56-116)185(305)242-129(47-27-34-79-208)174(294)245-137(71-73-152(213)275)181(301)241-136(54-41-86-229-203(223)224)183(303)265-161(109(10)11)195(315)249-132(50-30-37-82-211)178(298)255-147(96-154(215)277)189(309)237-126(164(216)284)44-24-31-76-205/h21-23,42-43,55-70,99,104-114,125-151,159-163,268-274H,20,24-41,44-54,71-98,100-103,205-212H2,1-19H3,(H2,213,275)(H2,214,276)(H2,215,277)(H2,216,284)(H,225,232)(H,230,289)(H,231,290)(H,233,285)(H,234,291)(H,235,304)(H,236,278)(H,237,309)(H,238,296)(H,239,295)(H,240,292)(H,241,301)(H,242,305)(H,243,306)(H,244,312)(H,245,294)(H,246,293)(H,247,302)(H,248,314)(H,249,315)(H,250,307)(H,251,299)(H,252,300)(H,253,297)(H,254,313)(H,255,298)(H,256,316)(H,257,317)(H,258,318)(H,259,308)(H,260,310)(H,261,319)(H,262,279)(H,263,287)(H,264,286)(H,265,303)(H,266,311)(H,267,288)(H,280,281)(H,282,283)(H4,217,218,226)(H4,219,220,227)(H4,221,222,228)(H4,223,224,229)/t110-,111-,112-,113-,114+,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,135-,136-,137-,138-,139-,140-,141-,142-,143-,144-,145-,146-,147-,148-,149-,150-,151-,159-,160-,161-,162-,163-/m0/s1
Affinity DataIC50: 7.20nMAssay Description:Displacement of [125I]Ac-PACAP27 from human recombinant PAC1 receptor expressed in CHO cells by gamma- counterMore data for this Ligand-Target Pair
TargetPituitary adenylate cyclase-activating polypeptide type I receptor(Homo sapiens (Human))
Abbott Laboratories

Curated by ChEMBL
LigandPNGBDBM50250039(CHEMBL524334 | [D-Asp3]PACAP38)
Show SMILES CC[C@H](C)[C@H](NC(=O)CNC(=O)[C@@H](CC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCCN)C(N)=O
Show InChI InChI=1S/C203H331N63O53S/c1-18-109(12)162(262-156(279)99-230-170(290)147(95-157(280)281)255-193(313)149(100-267)259-168(288)124(211)93-119-97-224-103-231-119)198(318)257-145(88-114-40-20-19-21-41-114)191(311)266-163(113(16)270)199(319)258-148(96-158(282)283)190(310)261-151(102-269)194(314)253-144(92-118-59-67-123(274)68-60-118)188(308)260-150(101-268)192(312)243-134(51-38-83-227-202(220)221)180(300)251-142(90-116-55-63-121(272)64-56-116)186(306)242-132(49-36-81-225-200(216)217)176(296)237-127(44-24-31-76-206)173(293)245-137(70-72-153(213)276)182(302)246-138(73-85-320-17)171(291)233-112(15)167(287)263-159(106(6)7)195(315)247-130(47-27-34-79-209)175(295)238-129(46-26-33-78-208)177(297)252-143(91-117-57-65-122(273)66-58-117)187(307)249-140(87-105(4)5)184(304)234-110(13)165(285)232-111(14)166(286)264-160(107(8)9)197(317)256-139(86-104(2)3)169(289)229-98-155(278)235-126(43-23-30-75-205)172(292)239-133(50-37-82-226-201(218)219)179(299)250-141(89-115-53-61-120(271)62-54-115)185(305)241-128(45-25-32-77-207)174(294)244-136(69-71-152(212)275)181(301)240-135(52-39-84-228-203(222)223)183(303)265-161(108(10)11)196(316)248-131(48-28-35-80-210)178(298)254-146(94-154(214)277)189(309)236-125(164(215)284)42-22-29-74-204/h19-21,40-41,53-68,97,103-113,124-151,159-163,267-274H,18,22-39,42-52,69-96,98-102,204-211H2,1-17H3,(H2,212,275)(H2,213,276)(H2,214,277)(H2,215,284)(H,224,231)(H,229,289)(H,230,290)(H,232,285)(H,233,291)(H,234,304)(H,235,278)(H,236,309)(H,237,296)(H,238,295)(H,239,292)(H,240,301)(H,241,305)(H,242,306)(H,243,312)(H,244,294)(H,245,293)(H,246,302)(H,247,315)(H,248,316)(H,249,307)(H,250,299)(H,251,300)(H,252,297)(H,253,314)(H,254,298)(H,255,313)(H,256,317)(H,257,318)(H,258,319)(H,259,288)(H,260,308)(H,261,310)(H,262,279)(H,263,287)(H,264,286)(H,265,303)(H,266,311)(H,280,281)(H,282,283)(H4,216,217,225)(H4,218,219,226)(H4,220,221,227)(H4,222,223,228)/t109-,110-,111-,112-,113+,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,135-,136-,137-,138-,139-,140-,141-,142-,143-,144-,145-,146-,147+,148-,149-,150-,151-,159-,160-,161-,162-,163-/m0/s1
Affinity DataIC50: 7.20nMAssay Description:Displacement of [125I]Ac-PACAP27 from human recombinant PAC1 receptor expressed in CHO cells by gamma- counterMore data for this Ligand-Target Pair
TargetPituitary adenylate cyclase-activating polypeptide type I receptor(Homo sapiens (Human))
Abbott Laboratories

Curated by ChEMBL
LigandPNGBDBM50250036(CHEMBL506133 | [D-Ser2]PACAP27)
Show SMILES CC[C@H](C)[C@H](NC(=O)CNC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](CO)NC(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)C(N)=O
Show InChI InChI=1S/C142H224N40O39S/c1-16-75(10)113(179-108(191)66-156-120(201)102(63-109(192)193)173-135(216)104(67-183)176-119(200)88(146)62-84-65-153-70-157-84)139(220)174-101(58-80-28-18-17-19-29-80)133(214)182-114(79(14)186)140(221)175-103(64-110(194)195)132(213)178-106(69-185)136(217)172-100(61-83-39-45-87(189)46-40-83)131(212)177-105(68-184)134(215)164-93(34-27-54-155-142(151)152)126(207)170-98(59-81-35-41-85(187)42-36-81)129(210)163-92(33-26-53-154-141(149)150)124(205)161-89(30-20-23-50-143)122(203)165-94(47-48-107(147)190)127(208)166-95(49-55-222-15)121(202)159-78(13)118(199)180-111(73(6)7)137(218)167-91(32-22-25-52-145)123(204)162-90(31-21-24-51-144)125(206)171-99(60-82-37-43-86(188)44-38-82)130(211)169-97(57-72(4)5)128(209)160-76(11)116(197)158-77(12)117(198)181-112(74(8)9)138(219)168-96(115(148)196)56-71(2)3/h17-19,28-29,35-46,65,70-79,88-106,111-114,183-189H,16,20-27,30-34,47-64,66-69,143-146H2,1-15H3,(H2,147,190)(H2,148,196)(H,153,157)(H,156,201)(H,158,197)(H,159,202)(H,160,209)(H,161,205)(H,162,204)(H,163,210)(H,164,215)(H,165,203)(H,166,208)(H,167,218)(H,168,219)(H,169,211)(H,170,207)(H,171,206)(H,172,217)(H,173,216)(H,174,220)(H,175,221)(H,176,200)(H,177,212)(H,178,213)(H,179,191)(H,180,199)(H,181,198)(H,182,214)(H,192,193)(H,194,195)(H4,149,150,154)(H4,151,152,155)/t75-,76-,77-,78-,79+,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104+,105-,106-,111-,112-,113-,114-/m0/s1
Affinity DataIC50: 7.30nMAssay Description:Displacement of [125I]Ac-PACAP27 from human recombinant PAC1 receptor expressed in CHO cells by gamma- counterMore data for this Ligand-Target Pair
TargetPituitary adenylate cyclase-activating polypeptide type I receptor(Homo sapiens (Human))
Abbott Laboratories

Curated by ChEMBL
LigandPNGBDBM50250061(CHEMBL498948 | [His(1-Me)1]PACAP38)
Show SMILES CC[C@H](C)[C@H](NC(=O)CNC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1cncn1C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCCN)C(N)=O
Show InChI InChI=1S/C204H333N63O53S/c1-19-110(12)163(262-157(280)100-231-171(291)148(96-158(281)282)255-194(314)150(101-268)259-169(289)125(212)94-120-98-225-104-267(120)17)199(319)257-146(89-115-41-21-20-22-42-115)192(312)266-164(114(16)271)200(320)258-149(97-159(283)284)191(311)261-152(103-270)195(315)253-145(93-119-60-68-124(275)69-61-119)189(309)260-151(102-269)193(313)243-135(52-39-84-228-203(221)222)181(301)251-143(91-117-56-64-122(273)65-57-117)187(307)242-133(50-37-82-226-201(217)218)177(297)237-128(45-25-32-77-207)174(294)245-138(71-73-154(214)277)183(303)246-139(74-86-321-18)172(292)233-113(15)168(288)263-160(107(6)7)196(316)247-131(48-28-35-80-210)176(296)238-130(47-27-34-79-209)178(298)252-144(92-118-58-66-123(274)67-59-118)188(308)249-141(88-106(4)5)185(305)234-111(13)166(286)232-112(14)167(287)264-161(108(8)9)198(318)256-140(87-105(2)3)170(290)230-99-156(279)235-127(44-24-31-76-206)173(293)239-134(51-38-83-227-202(219)220)180(300)250-142(90-116-54-62-121(272)63-55-116)186(306)241-129(46-26-33-78-208)175(295)244-137(70-72-153(213)276)182(302)240-136(53-40-85-229-204(223)224)184(304)265-162(109(10)11)197(317)248-132(49-29-36-81-211)179(299)254-147(95-155(215)278)190(310)236-126(165(216)285)43-23-30-75-205/h20-22,41-42,54-69,98,104-114,125-152,160-164,268-275H,19,23-40,43-53,70-97,99-103,205-212H2,1-18H3,(H2,213,276)(H2,214,277)(H2,215,278)(H2,216,285)(H,230,290)(H,231,291)(H,232,286)(H,233,292)(H,234,305)(H,235,279)(H,236,310)(H,237,297)(H,238,296)(H,239,293)(H,240,302)(H,241,306)(H,242,307)(H,243,313)(H,244,295)(H,245,294)(H,246,303)(H,247,316)(H,248,317)(H,249,308)(H,250,300)(H,251,301)(H,252,298)(H,253,315)(H,254,299)(H,255,314)(H,256,318)(H,257,319)(H,258,320)(H,259,289)(H,260,309)(H,261,311)(H,262,280)(H,263,288)(H,264,287)(H,265,304)(H,266,312)(H,281,282)(H,283,284)(H4,217,218,226)(H4,219,220,227)(H4,221,222,228)(H4,223,224,229)/t110-,111-,112-,113-,114+,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,135-,136-,137-,138-,139-,140-,141-,142-,143-,144-,145-,146-,147-,148-,149-,150-,151-,152-,160-,161-,162-,163-,164-/m0/s1
Affinity DataIC50: 7.5nMAssay Description:Displacement of [125I]Ac-PACAP27 from human recombinant PAC1 receptor expressed in CHO cells by gamma- counterMore data for this Ligand-Target Pair
TargetPituitary adenylate cyclase-activating polypeptide type I receptor(Homo sapiens (Human))
Abbott Laboratories

Curated by ChEMBL
LigandPNGBDBM50250078(CHEMBL524672 | [Pro2]PACAP27)
Show SMILES CC[C@H](C)[C@H](NC(=O)CNC(=O)[C@H](CC(O)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)C(N)=O
Show InChI InChI=1S/C144H226N40O38S/c1-16-77(10)115(180-110(192)69-158-121(201)104(66-111(193)194)175-137(217)108-36-28-57-184(108)142(222)90(148)65-86-68-155-72-159-86)140(220)176-103(61-82-29-18-17-19-30-82)134(214)183-116(81(14)187)141(221)177-105(67-112(195)196)133(213)179-107(71-186)136(216)174-102(64-85-41-47-89(190)48-42-85)132(212)178-106(70-185)135(215)166-95(35-27-56-157-144(153)154)127(207)172-100(62-83-37-43-87(188)44-38-83)130(210)165-94(34-26-55-156-143(151)152)125(205)163-91(31-20-23-52-145)123(203)167-96(49-50-109(149)191)128(208)168-97(51-58-223-15)122(202)161-80(13)120(200)181-113(75(6)7)138(218)169-93(33-22-25-54-147)124(204)164-92(32-21-24-53-146)126(206)173-101(63-84-39-45-88(189)46-40-84)131(211)171-99(60-74(4)5)129(209)162-78(11)118(198)160-79(12)119(199)182-114(76(8)9)139(219)170-98(117(150)197)59-73(2)3/h17-19,29-30,37-48,68,72-81,90-108,113-116,185-190H,16,20-28,31-36,49-67,69-71,145-148H2,1-15H3,(H2,149,191)(H2,150,197)(H,155,159)(H,158,201)(H,160,198)(H,161,202)(H,162,209)(H,163,205)(H,164,204)(H,165,210)(H,166,215)(H,167,203)(H,168,208)(H,169,218)(H,170,219)(H,171,211)(H,172,207)(H,173,206)(H,174,216)(H,175,217)(H,176,220)(H,177,221)(H,178,212)(H,179,213)(H,180,192)(H,181,200)(H,182,199)(H,183,214)(H,193,194)(H,195,196)(H4,151,152,156)(H4,153,154,157)/t77-,78-,79-,80-,81+,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,113-,114-,115-,116-/m0/s1
Affinity DataIC50: 7.80nMAssay Description:Displacement of [125I]Ac-PACAP27 from human recombinant PAC1 receptor expressed in CHO cells by gamma- counterMore data for this Ligand-Target Pair
TargetPituitary adenylate cyclase-activating polypeptide type I receptor(Homo sapiens (Human))
Abbott Laboratories

Curated by ChEMBL
LigandPNGBDBM50250023(CHEMBL500280 | [Ala2]PACAP(1-38) | [Ala2]PACAP38)
Show SMILES CC[C@H](C)[C@H](NC(=O)CNC(=O)[C@H](CC(O)=O)NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCCN)C(N)=O
Show InChI InChI=1S/C203H331N63O52S/c1-19-109(12)162(262-156(278)100-230-171(290)148(96-157(279)280)250-166(285)111(14)233-169(288)125(211)94-120-98-224-103-231-120)198(317)258-146(89-115-41-21-20-22-42-115)192(311)266-163(114(17)269)199(318)259-149(97-158(281)282)191(310)261-151(102-268)194(313)255-145(93-119-60-68-124(273)69-61-119)189(308)260-150(101-267)193(312)244-135(52-39-84-227-202(220)221)181(300)253-143(91-117-56-64-122(271)65-57-117)187(306)243-133(50-37-82-225-200(216)217)177(296)238-128(45-25-32-77-206)174(293)246-138(71-73-153(213)275)183(302)247-139(74-86-319-18)172(291)234-113(16)168(287)263-159(106(6)7)195(314)248-131(48-28-35-80-209)176(295)239-130(47-27-34-79-208)178(297)254-144(92-118-58-66-123(272)67-59-118)188(307)251-141(88-105(4)5)185(304)235-110(13)165(284)232-112(15)167(286)264-160(107(8)9)197(316)257-140(87-104(2)3)170(289)229-99-155(277)236-127(44-24-31-76-205)173(292)240-134(51-38-83-226-201(218)219)180(299)252-142(90-116-54-62-121(270)63-55-116)186(305)242-129(46-26-33-78-207)175(294)245-137(70-72-152(212)274)182(301)241-136(53-40-85-228-203(222)223)184(303)265-161(108(10)11)196(315)249-132(49-29-36-81-210)179(298)256-147(95-154(214)276)190(309)237-126(164(215)283)43-23-30-75-204/h20-22,41-42,54-69,98,103-114,125-151,159-163,267-273H,19,23-40,43-53,70-97,99-102,204-211H2,1-18H3,(H2,212,274)(H2,213,275)(H2,214,276)(H2,215,283)(H,224,231)(H,229,289)(H,230,290)(H,232,284)(H,233,288)(H,234,291)(H,235,304)(H,236,277)(H,237,309)(H,238,296)(H,239,295)(H,240,292)(H,241,301)(H,242,305)(H,243,306)(H,244,312)(H,245,294)(H,246,293)(H,247,302)(H,248,314)(H,249,315)(H,250,285)(H,251,307)(H,252,299)(H,253,300)(H,254,297)(H,255,313)(H,256,298)(H,257,316)(H,258,317)(H,259,318)(H,260,308)(H,261,310)(H,262,278)(H,263,287)(H,264,286)(H,265,303)(H,266,311)(H,279,280)(H,281,282)(H4,216,217,225)(H4,218,219,226)(H4,220,221,227)(H4,222,223,228)/t109-,110-,111-,112-,113-,114+,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,135-,136-,137-,138-,139-,140-,141-,142-,143-,144-,145-,146-,147-,148-,149-,150-,151-,159-,160-,161-,162-,163-/m0/s1
Affinity DataIC50: 7.90nMAssay Description:Displacement of [125I]Ac-PACAP27 from human recombinant PAC1 receptor expressed in CHO cells by gamma- counterMore data for this Ligand-Target Pair
TargetPituitary adenylate cyclase-activating polypeptide type I receptor(Homo sapiens (Human))
Abbott Laboratories

Curated by ChEMBL
LigandPNGBDBM50250072(CHEMBL498867 | [Tyr6]PACAP27)
Show SMILES CC[C@H](C)[C@H](NC(=O)CNC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)C(N)=O
Show InChI InChI=1S/C142H224N40O40S/c1-16-74(10)113(179-108(192)65-156-120(202)102(62-109(193)194)173-135(217)104(66-183)176-119(201)88(146)61-83-64-153-69-157-83)139(221)174-101(60-82-36-44-87(190)45-37-82)133(215)182-114(78(14)186)140(222)175-103(63-110(195)196)132(214)178-106(68-185)136(218)172-100(59-81-34-42-86(189)43-35-81)131(213)177-105(67-184)134(216)164-93(29-24-53-155-142(151)152)126(208)170-98(57-79-30-38-84(187)39-31-79)129(211)163-92(28-23-52-154-141(149)150)124(206)161-89(25-17-20-49-143)122(204)165-94(46-47-107(147)191)127(209)166-95(48-54-223-15)121(203)159-77(13)118(200)180-111(72(6)7)137(219)167-91(27-19-22-51-145)123(205)162-90(26-18-21-50-144)125(207)171-99(58-80-32-40-85(188)41-33-80)130(212)169-97(56-71(4)5)128(210)160-75(11)116(198)158-76(12)117(199)181-112(73(8)9)138(220)168-96(115(148)197)55-70(2)3/h30-45,64,69-78,88-106,111-114,183-190H,16-29,46-63,65-68,143-146H2,1-15H3,(H2,147,191)(H2,148,197)(H,153,157)(H,156,202)(H,158,198)(H,159,203)(H,160,210)(H,161,206)(H,162,205)(H,163,211)(H,164,216)(H,165,204)(H,166,209)(H,167,219)(H,168,220)(H,169,212)(H,170,208)(H,171,207)(H,172,218)(H,173,217)(H,174,221)(H,175,222)(H,176,201)(H,177,213)(H,178,214)(H,179,192)(H,180,200)(H,181,199)(H,182,215)(H,193,194)(H,195,196)(H4,149,150,154)(H4,151,152,155)/t74-,75-,76-,77-,78+,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,111-,112-,113-,114-/m0/s1
Affinity DataIC50: 7.90nMAssay Description:Displacement of [125I]Ac-PACAP27 from human recombinant PAC1 receptor expressed in CHO cells by gamma- counterMore data for this Ligand-Target Pair
TargetPituitary adenylate cyclase-activating polypeptide type I receptor(Homo sapiens (Human))
Abbott Laboratories

Curated by ChEMBL
LigandPNGBDBM50250058(Ac-PACAP27 | CHEMBL505046)
Show SMILES CC[C@H](C)[C@H](NC(=O)CNC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1cnc[nH]1)NC(C)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)C(N)=O
Show InChI InChI=1S/C144H226N40O40S/c1-17-76(10)115(181-110(194)67-157-121(203)104(64-111(195)196)175-138(220)108(70-187)179-133(215)103(162-81(15)189)63-86-66-154-71-158-86)141(223)176-102(59-82-29-19-18-20-30-82)135(217)184-116(80(14)188)142(224)177-105(65-112(197)198)134(216)180-107(69-186)137(219)174-101(62-85-40-46-89(192)47-41-85)132(214)178-106(68-185)136(218)166-94(35-28-55-156-144(152)153)127(209)172-99(60-83-36-42-87(190)43-37-83)130(212)165-93(34-27-54-155-143(150)151)125(207)163-90(31-21-24-51-145)123(205)167-95(48-49-109(148)193)128(210)168-96(50-56-225-16)122(204)160-79(13)120(202)182-113(74(6)7)139(221)169-92(33-23-26-53-147)124(206)164-91(32-22-25-52-146)126(208)173-100(61-84-38-44-88(191)45-39-84)131(213)171-98(58-73(4)5)129(211)161-77(11)118(200)159-78(12)119(201)183-114(75(8)9)140(222)170-97(117(149)199)57-72(2)3/h18-20,29-30,36-47,66,71-80,90-108,113-116,185-188,190-192H,17,21-28,31-35,48-65,67-70,145-147H2,1-16H3,(H2,148,193)(H2,149,199)(H,154,158)(H,157,203)(H,159,200)(H,160,204)(H,161,211)(H,162,189)(H,163,207)(H,164,206)(H,165,212)(H,166,218)(H,167,205)(H,168,210)(H,169,221)(H,170,222)(H,171,213)(H,172,209)(H,173,208)(H,174,219)(H,175,220)(H,176,223)(H,177,224)(H,178,214)(H,179,215)(H,180,216)(H,181,194)(H,182,202)(H,183,201)(H,184,217)(H,195,196)(H,197,198)(H4,150,151,155)(H4,152,153,156)/t76-,77-,78-,79-,80+,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,113-,114-,115-,116-/m0/s1
Affinity DataIC50: 8.20nMAssay Description:Displacement of [125I]Ac-PACAP27 from human recombinant PAC1 receptor expressed in CHO cells by gamma- counterMore data for this Ligand-Target Pair
TargetPituitary adenylate cyclase-activating polypeptide type I receptor(Homo sapiens (Human))
Abbott Laboratories

Curated by ChEMBL
LigandPNGBDBM50250018(CHEMBL524852 | PACAP27)
Show SMILES CC[C@H](C)[C@H](NC(=O)CNC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)C(N)=O
Show InChI InChI=1S/C142H224N40O39S/c1-16-75(10)113(179-108(191)66-156-120(201)102(63-109(192)193)173-135(216)104(67-183)176-119(200)88(146)62-84-65-153-70-157-84)139(220)174-101(58-80-28-18-17-19-29-80)133(214)182-114(79(14)186)140(221)175-103(64-110(194)195)132(213)178-106(69-185)136(217)172-100(61-83-39-45-87(189)46-40-83)131(212)177-105(68-184)134(215)164-93(34-27-54-155-142(151)152)126(207)170-98(59-81-35-41-85(187)42-36-81)129(210)163-92(33-26-53-154-141(149)150)124(205)161-89(30-20-23-50-143)122(203)165-94(47-48-107(147)190)127(208)166-95(49-55-222-15)121(202)159-78(13)118(199)180-111(73(6)7)137(218)167-91(32-22-25-52-145)123(204)162-90(31-21-24-51-144)125(206)171-99(60-82-37-43-86(188)44-38-82)130(211)169-97(57-72(4)5)128(209)160-76(11)116(197)158-77(12)117(198)181-112(74(8)9)138(219)168-96(115(148)196)56-71(2)3/h17-19,28-29,35-46,65,70-79,88-106,111-114,183-189H,16,20-27,30-34,47-64,66-69,143-146H2,1-15H3,(H2,147,190)(H2,148,196)(H,153,157)(H,156,201)(H,158,197)(H,159,202)(H,160,209)(H,161,205)(H,162,204)(H,163,210)(H,164,215)(H,165,203)(H,166,208)(H,167,218)(H,168,219)(H,169,211)(H,170,207)(H,171,206)(H,172,217)(H,173,216)(H,174,220)(H,175,221)(H,176,200)(H,177,212)(H,178,213)(H,179,191)(H,180,199)(H,181,198)(H,182,214)(H,192,193)(H,194,195)(H4,149,150,154)(H4,151,152,155)/t75-,76-,77-,78-,79+,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,111-,112-,113-,114-/m0/s1
Affinity DataIC50: 8.30nMAssay Description:Displacement of [125I]Ac-PACAP27 from human recombinant PAC1 receptor expressed in CHO cells by gamma- counterMore data for this Ligand-Target Pair
TargetPituitary adenylate cyclase-activating polypeptide type I receptor(Homo sapiens (Human))
Abbott Laboratories

Curated by ChEMBL
LigandPNGBDBM50250080(CHEMBL524495 | [Hyp2]PACAP27)
Show SMILES CC[C@H](C)[C@H](NC(=O)CNC(=O)[C@H](CC(O)=O)NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)C(N)=O
Show InChI InChI=1S/C144H226N40O39S/c1-16-76(10)115(180-110(193)67-158-121(202)104(64-111(194)195)175-137(218)108-63-89(191)68-184(108)142(223)90(148)62-85-66-155-71-159-85)140(221)176-103(58-81-28-18-17-19-29-81)134(215)183-116(80(14)187)141(222)177-105(65-112(196)197)133(214)179-107(70-186)136(217)174-102(61-84-39-45-88(190)46-40-84)132(213)178-106(69-185)135(216)166-95(34-27-54-157-144(153)154)127(208)172-100(59-82-35-41-86(188)42-36-82)130(211)165-94(33-26-53-156-143(151)152)125(206)163-91(30-20-23-50-145)123(204)167-96(47-48-109(149)192)128(209)168-97(49-55-224-15)122(203)161-79(13)120(201)181-113(74(6)7)138(219)169-93(32-22-25-52-147)124(205)164-92(31-21-24-51-146)126(207)173-101(60-83-37-43-87(189)44-38-83)131(212)171-99(57-73(4)5)129(210)162-77(11)118(199)160-78(12)119(200)182-114(75(8)9)139(220)170-98(117(150)198)56-72(2)3/h17-19,28-29,35-46,66,71-80,89-108,113-116,185-191H,16,20-27,30-34,47-65,67-70,145-148H2,1-15H3,(H2,149,192)(H2,150,198)(H,155,159)(H,158,202)(H,160,199)(H,161,203)(H,162,210)(H,163,206)(H,164,205)(H,165,211)(H,166,216)(H,167,204)(H,168,209)(H,169,219)(H,170,220)(H,171,212)(H,172,208)(H,173,207)(H,174,217)(H,175,218)(H,176,221)(H,177,222)(H,178,213)(H,179,214)(H,180,193)(H,181,201)(H,182,200)(H,183,215)(H,194,195)(H,196,197)(H4,151,152,156)(H4,153,154,157)/t76-,77-,78-,79-,80+,89+,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,113-,114-,115-,116-/m0/s1
Affinity DataIC50: 8.5nMAssay Description:Displacement of [125I]Ac-PACAP27 from human recombinant PAC1 receptor expressed in CHO cells by gamma- counterMore data for this Ligand-Target Pair
TargetPituitary adenylate cyclase-activating polypeptide type I receptor(Homo sapiens (Human))
Abbott Laboratories

Curated by ChEMBL
LigandPNGBDBM50250079(CHEMBL506840 | [Pro2]PACAP38)
Show SMILES CC[C@H](C)[C@H](NC(=O)CNC(=O)[C@H](CC(O)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCCN)C(N)=O
Show InChI InChI=1S/C205H333N63O52S/c1-18-111(12)164(263-158(280)102-232-171(290)149(98-159(281)282)257-195(314)153-54-40-87-268(153)201(320)126(213)96-121-100-226-105-233-121)199(318)259-147(91-116-41-20-19-21-42-116)192(311)267-165(115(16)271)200(319)260-150(99-160(283)284)191(310)262-152(104-270)194(313)255-146(95-120-61-69-125(275)70-62-120)189(308)261-151(103-269)193(312)245-136(52-38-85-229-204(222)223)181(300)253-144(93-118-57-65-123(273)66-58-118)187(306)244-134(50-36-83-227-202(218)219)177(296)239-129(45-24-31-78-208)174(293)247-139(72-74-155(215)277)183(302)248-140(75-88-321-17)172(291)235-114(15)169(288)264-161(108(6)7)196(315)249-132(48-27-34-81-211)176(295)240-131(47-26-33-80-210)178(297)254-145(94-119-59-67-124(274)68-60-119)188(307)251-142(90-107(4)5)185(304)236-112(13)167(286)234-113(14)168(287)265-162(109(8)9)198(317)258-141(89-106(2)3)170(289)231-101-157(279)237-128(44-23-30-77-207)173(292)241-135(51-37-84-228-203(220)221)180(299)252-143(92-117-55-63-122(272)64-56-117)186(305)243-130(46-25-32-79-209)175(294)246-138(71-73-154(214)276)182(301)242-137(53-39-86-230-205(224)225)184(303)266-163(110(10)11)197(316)250-133(49-28-35-82-212)179(298)256-148(97-156(216)278)190(309)238-127(166(217)285)43-22-29-76-206/h19-21,41-42,55-70,100,105-115,126-153,161-165,269-275H,18,22-40,43-54,71-99,101-104,206-213H2,1-17H3,(H2,214,276)(H2,215,277)(H2,216,278)(H2,217,285)(H,226,233)(H,231,289)(H,232,290)(H,234,286)(H,235,291)(H,236,304)(H,237,279)(H,238,309)(H,239,296)(H,240,295)(H,241,292)(H,242,301)(H,243,305)(H,244,306)(H,245,312)(H,246,294)(H,247,293)(H,248,302)(H,249,315)(H,250,316)(H,251,307)(H,252,299)(H,253,300)(H,254,297)(H,255,313)(H,256,298)(H,257,314)(H,258,317)(H,259,318)(H,260,319)(H,261,308)(H,262,310)(H,263,280)(H,264,288)(H,265,287)(H,266,303)(H,267,311)(H,281,282)(H,283,284)(H4,218,219,227)(H4,220,221,228)(H4,222,223,229)(H4,224,225,230)/t111-,112-,113-,114-,115+,126-,127-,128-,129-,130-,131-,132-,133-,134-,135-,136-,137-,138-,139-,140-,141-,142-,143-,144-,145-,146-,147-,148-,149-,150-,151-,152-,153-,161-,162-,163-,164-,165-/m0/s1
Affinity DataIC50: 8.5nMAssay Description:Displacement of [125I]Ac-PACAP27 from human recombinant PAC1 receptor expressed in CHO cells by gamma- counterMore data for this Ligand-Target Pair
TargetPituitary adenylate cyclase-activating polypeptide type I receptor(Homo sapiens (Human))
Abbott Laboratories

Curated by ChEMBL
LigandPNGBDBM50250081(CHEMBL499507 | [Hyp2]PACAP38)
Show SMILES CC[C@H](C)[C@H](NC(=O)CNC(=O)[C@H](CC(O)=O)NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCCN)C(N)=O
Show InChI InChI=1S/C205H333N63O53S/c1-18-110(12)164(263-158(281)100-232-171(291)149(96-159(282)283)257-195(315)153-94-125(276)101-268(153)201(321)126(213)93-120-98-226-104-233-120)199(319)259-147(88-115-40-20-19-21-41-115)192(312)267-165(114(16)271)200(320)260-150(97-160(284)285)191(311)262-152(103-270)194(314)255-146(92-119-59-67-124(275)68-60-119)189(309)261-151(102-269)193(313)245-136(51-38-83-229-204(222)223)181(301)253-144(90-117-55-63-122(273)64-56-117)187(307)244-134(49-36-81-227-202(218)219)177(297)239-129(44-24-31-76-208)174(294)247-139(70-72-155(215)278)183(303)248-140(73-85-322-17)172(292)235-113(15)169(289)264-161(107(6)7)196(316)249-132(47-27-34-79-211)176(296)240-131(46-26-33-78-210)178(298)254-145(91-118-57-65-123(274)66-58-118)188(308)251-142(87-106(4)5)185(305)236-111(13)167(287)234-112(14)168(288)265-162(108(8)9)198(318)258-141(86-105(2)3)170(290)231-99-157(280)237-128(43-23-30-75-207)173(293)241-135(50-37-82-228-203(220)221)180(300)252-143(89-116-53-61-121(272)62-54-116)186(306)243-130(45-25-32-77-209)175(295)246-138(69-71-154(214)277)182(302)242-137(52-39-84-230-205(224)225)184(304)266-163(109(10)11)197(317)250-133(48-28-35-80-212)179(299)256-148(95-156(216)279)190(310)238-127(166(217)286)42-22-29-74-206/h19-21,40-41,53-68,98,104-114,125-153,161-165,269-276H,18,22-39,42-52,69-97,99-103,206-213H2,1-17H3,(H2,214,277)(H2,215,278)(H2,216,279)(H2,217,286)(H,226,233)(H,231,290)(H,232,291)(H,234,287)(H,235,292)(H,236,305)(H,237,280)(H,238,310)(H,239,297)(H,240,296)(H,241,293)(H,242,302)(H,243,306)(H,244,307)(H,245,313)(H,246,295)(H,247,294)(H,248,303)(H,249,316)(H,250,317)(H,251,308)(H,252,300)(H,253,301)(H,254,298)(H,255,314)(H,256,299)(H,257,315)(H,258,318)(H,259,319)(H,260,320)(H,261,309)(H,262,311)(H,263,281)(H,264,289)(H,265,288)(H,266,304)(H,267,312)(H,282,283)(H,284,285)(H4,218,219,227)(H4,220,221,228)(H4,222,223,229)(H4,224,225,230)/t110-,111-,112-,113-,114+,125+,126-,127-,128-,129-,130-,131-,132-,133-,134-,135-,136-,137-,138-,139-,140-,141-,142-,143-,144-,145-,146-,147-,148-,149-,150-,151-,152-,153-,161-,162-,163-,164-,165-/m0/s1
Affinity DataIC50: 8.60nMAssay Description:Displacement of [125I]Ac-PACAP27 from human recombinant PAC1 receptor expressed in CHO cells by gamma- counterMore data for this Ligand-Target Pair
TargetPituitary adenylate cyclase-activating polypeptide type I receptor(Homo sapiens (Human))
Abbott Laboratories

Curated by ChEMBL
LigandPNGBDBM50250026(CHEMBL526899 | [Ala4]PACAP27)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)C(N)=O
Show InChI InChI=1S/C143H226N40O39S/c1-17-75(10)113(182-119(200)79(14)161-129(210)103(64-109(192)193)174-136(217)105(67-184)177-120(201)89(147)63-85-66-154-70-157-85)140(221)175-102(59-81-29-19-18-20-30-81)134(215)183-114(80(15)187)141(222)176-104(65-110(194)195)133(214)179-107(69-186)137(218)173-101(62-84-40-46-88(190)47-41-84)132(213)178-106(68-185)135(216)165-94(35-28-55-156-143(152)153)126(207)171-99(60-82-36-42-86(188)43-37-82)130(211)164-93(34-27-54-155-142(150)151)124(205)162-90(31-21-24-51-144)122(203)166-95(48-49-108(148)191)127(208)167-96(50-56-223-16)121(202)159-78(13)118(199)180-111(73(6)7)138(219)168-92(33-23-26-53-146)123(204)163-91(32-22-25-52-145)125(206)172-100(61-83-38-44-87(189)45-39-83)131(212)170-98(58-72(4)5)128(209)160-76(11)116(197)158-77(12)117(198)181-112(74(8)9)139(220)169-97(115(149)196)57-71(2)3/h18-20,29-30,36-47,66,70-80,89-107,111-114,184-190H,17,21-28,31-35,48-65,67-69,144-147H2,1-16H3,(H2,148,191)(H2,149,196)(H,154,157)(H,158,197)(H,159,202)(H,160,209)(H,161,210)(H,162,205)(H,163,204)(H,164,211)(H,165,216)(H,166,203)(H,167,208)(H,168,219)(H,169,220)(H,170,212)(H,171,207)(H,172,206)(H,173,218)(H,174,217)(H,175,221)(H,176,222)(H,177,201)(H,178,213)(H,179,214)(H,180,199)(H,181,198)(H,182,200)(H,183,215)(H,192,193)(H,194,195)(H4,150,151,155)(H4,152,153,156)/t75-,76-,77-,78-,79-,80+,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,111-,112-,113-,114-/m0/s1
Affinity DataIC50: 9.10nMAssay Description:Displacement of [125I]Ac-PACAP27 from human recombinant PAC1 receptor expressed in CHO cells by gamma- counterMore data for this Ligand-Target Pair
TargetPituitary adenylate cyclase-activating polypeptide type I receptor(Homo sapiens (Human))
Abbott Laboratories

Curated by ChEMBL
LigandPNGBDBM50250047(CHEMBL525591 | [N-Me-Ser2]PACAP38)
Show SMILES CC[C@H](C)[C@H](NC(=O)CNC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CO)N(C)C(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCCN)C(N)=O
Show InChI InChI=1S/C204H333N63O53S/c1-19-110(12)163(262-157(280)100-231-170(290)148(96-158(281)282)256-194(314)152(103-270)267(17)200(320)125(212)94-120-98-225-104-232-120)198(318)258-146(89-115-41-21-20-22-42-115)191(311)266-164(114(16)271)199(319)259-149(97-159(283)284)190(310)261-151(102-269)193(313)254-145(93-119-60-68-124(275)69-61-119)188(308)260-150(101-268)192(312)244-135(52-39-84-228-203(221)222)180(300)252-143(91-117-56-64-122(273)65-57-117)186(306)243-133(50-37-82-226-201(217)218)176(296)238-128(45-25-32-77-207)173(293)246-138(71-73-154(214)277)182(302)247-139(74-86-321-18)171(291)234-113(15)168(288)263-160(107(6)7)195(315)248-131(48-28-35-80-210)175(295)239-130(47-27-34-79-209)177(297)253-144(92-118-58-66-123(274)67-59-118)187(307)250-141(88-106(4)5)184(304)235-111(13)166(286)233-112(14)167(287)264-161(108(8)9)197(317)257-140(87-105(2)3)169(289)230-99-156(279)236-127(44-24-31-76-206)172(292)240-134(51-38-83-227-202(219)220)179(299)251-142(90-116-54-62-121(272)63-55-116)185(305)242-129(46-26-33-78-208)174(294)245-137(70-72-153(213)276)181(301)241-136(53-40-85-229-204(223)224)183(303)265-162(109(10)11)196(316)249-132(49-29-36-81-211)178(298)255-147(95-155(215)278)189(309)237-126(165(216)285)43-23-30-75-205/h20-22,41-42,54-69,98,104-114,125-152,160-164,268-275H,19,23-40,43-53,70-97,99-103,205-212H2,1-18H3,(H2,213,276)(H2,214,277)(H2,215,278)(H2,216,285)(H,225,232)(H,230,289)(H,231,290)(H,233,286)(H,234,291)(H,235,304)(H,236,279)(H,237,309)(H,238,296)(H,239,295)(H,240,292)(H,241,301)(H,242,305)(H,243,306)(H,244,312)(H,245,294)(H,246,293)(H,247,302)(H,248,315)(H,249,316)(H,250,307)(H,251,299)(H,252,300)(H,253,297)(H,254,313)(H,255,298)(H,256,314)(H,257,317)(H,258,318)(H,259,319)(H,260,308)(H,261,310)(H,262,280)(H,263,288)(H,264,287)(H,265,303)(H,266,311)(H,281,282)(H,283,284)(H4,217,218,226)(H4,219,220,227)(H4,221,222,228)(H4,223,224,229)/t110-,111-,112-,113-,114+,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,135-,136-,137-,138-,139-,140-,141-,142-,143-,144-,145-,146-,147-,148-,149-,150-,151-,152-,160-,161-,162-,163-,164-/m0/s1
Affinity DataIC50: 9.10nMAssay Description:Displacement of [125I]Ac-PACAP27 from human recombinant PAC1 receptor expressed in CHO cells by gamma- counterMore data for this Ligand-Target Pair
TargetPituitary adenylate cyclase-activating polypeptide type I receptor(Homo sapiens (Human))
Abbott Laboratories

Curated by ChEMBL
LigandPNGBDBM50250087(CHEMBL499665 | [Aib4]PACAP38)
Show SMILES CC[C@H](C)[C@H](NC(=O)C(C)(C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCCN)C(N)=O
Show InChI InChI=1S/C205H335N63O53S/c1-20-110(12)162(267-200(321)205(17,18)268-194(315)149(98-158(283)284)256-192(313)150(101-269)260-168(289)125(213)95-120-99-226-104-232-120)198(319)258-146(90-115-42-22-21-23-43-115)190(311)266-163(114(16)272)199(320)259-148(97-157(281)282)189(310)262-152(103-271)193(314)254-145(94-119-61-69-124(276)70-62-119)187(308)261-151(102-270)191(312)244-135(53-40-85-229-203(222)223)179(300)252-143(92-117-57-65-122(274)66-58-117)185(306)243-133(51-38-83-227-201(218)219)175(296)238-128(46-26-33-78-208)172(293)246-138(72-74-154(215)278)181(302)247-139(75-87-322-19)170(291)234-113(15)167(288)263-159(107(6)7)195(316)248-131(49-29-36-81-211)174(295)239-130(48-28-35-80-210)176(297)253-144(93-118-59-67-123(275)68-60-118)186(307)250-141(89-106(4)5)183(304)235-111(13)165(286)233-112(14)166(287)264-160(108(8)9)197(318)257-140(88-105(2)3)169(290)231-100-156(280)236-127(45-25-32-77-207)171(292)240-134(52-39-84-228-202(220)221)178(299)251-142(91-116-55-63-121(273)64-56-116)184(305)242-129(47-27-34-79-209)173(294)245-137(71-73-153(214)277)180(301)241-136(54-41-86-230-204(224)225)182(303)265-161(109(10)11)196(317)249-132(50-30-37-82-212)177(298)255-147(96-155(216)279)188(309)237-126(164(217)285)44-24-31-76-206/h21-23,42-43,55-70,99,104-114,125-152,159-163,269-276H,20,24-41,44-54,71-98,100-103,206-213H2,1-19H3,(H2,214,277)(H2,215,278)(H2,216,279)(H2,217,285)(H,226,232)(H,231,290)(H,233,286)(H,234,291)(H,235,304)(H,236,280)(H,237,309)(H,238,296)(H,239,295)(H,240,292)(H,241,301)(H,242,305)(H,243,306)(H,244,312)(H,245,294)(H,246,293)(H,247,302)(H,248,316)(H,249,317)(H,250,307)(H,251,299)(H,252,300)(H,253,297)(H,254,314)(H,255,298)(H,256,313)(H,257,318)(H,258,319)(H,259,320)(H,260,289)(H,261,308)(H,262,310)(H,263,288)(H,264,287)(H,265,303)(H,266,311)(H,267,321)(H,268,315)(H,281,282)(H,283,284)(H4,218,219,227)(H4,220,221,228)(H4,222,223,229)(H4,224,225,230)/t110-,111-,112-,113-,114+,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,135-,136-,137-,138-,139-,140-,141-,142-,143-,144-,145-,146-,147-,148-,149-,150-,151-,152-,159-,160-,161-,162-,163-/m0/s1
Affinity DataIC50: 9.20nMAssay Description:Displacement of [125I]Ac-PACAP27 from human recombinant PAC1 receptor expressed in CHO cells by gamma- counterMore data for this Ligand-Target Pair
TargetPituitary adenylate cyclase-activating polypeptide type I receptor(Homo sapiens (Human))
Abbott Laboratories

Curated by ChEMBL
LigandPNGBDBM50250065(CHEMBL502352 | [Asn3]PACAP38)
Show SMILES CC[C@H](C)[C@H](NC(=O)CNC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCCN)C(N)=O
Show InChI InChI=1S/C203H332N64O52S/c1-18-109(12)162(263-157(281)99-231-170(290)146(94-154(214)278)255-193(313)149(100-268)260-168(288)124(211)93-119-97-225-103-232-119)198(318)258-145(88-114-40-20-19-21-41-114)191(311)267-163(113(16)271)199(319)259-148(96-158(282)283)190(310)262-151(102-270)194(314)254-144(92-118-59-67-123(275)68-60-118)188(308)261-150(101-269)192(312)244-134(51-38-83-228-202(221)222)180(300)252-142(90-116-55-63-121(273)64-56-116)186(306)243-132(49-36-81-226-200(217)218)176(296)238-127(44-24-31-76-206)173(293)246-137(70-72-153(213)277)182(302)247-138(73-85-320-17)171(291)234-112(15)167(287)264-159(106(6)7)195(315)248-130(47-27-34-79-209)175(295)239-129(46-26-33-78-208)177(297)253-143(91-117-57-65-122(274)66-58-117)187(307)250-140(87-105(4)5)184(304)235-110(13)165(285)233-111(14)166(286)265-160(107(8)9)197(317)257-139(86-104(2)3)169(289)230-98-156(280)236-126(43-23-30-75-205)172(292)240-133(50-37-82-227-201(219)220)179(299)251-141(89-115-53-61-120(272)62-54-115)185(305)242-128(45-25-32-77-207)174(294)245-136(69-71-152(212)276)181(301)241-135(52-39-84-229-203(223)224)183(303)266-161(108(10)11)196(316)249-131(48-28-35-80-210)178(298)256-147(95-155(215)279)189(309)237-125(164(216)284)42-22-29-74-204/h19-21,40-41,53-68,97,103-113,124-151,159-163,268-275H,18,22-39,42-52,69-96,98-102,204-211H2,1-17H3,(H2,212,276)(H2,213,277)(H2,214,278)(H2,215,279)(H2,216,284)(H,225,232)(H,230,289)(H,231,290)(H,233,285)(H,234,291)(H,235,304)(H,236,280)(H,237,309)(H,238,296)(H,239,295)(H,240,292)(H,241,301)(H,242,305)(H,243,306)(H,244,312)(H,245,294)(H,246,293)(H,247,302)(H,248,315)(H,249,316)(H,250,307)(H,251,299)(H,252,300)(H,253,297)(H,254,314)(H,255,313)(H,256,298)(H,257,317)(H,258,318)(H,259,319)(H,260,288)(H,261,308)(H,262,310)(H,263,281)(H,264,287)(H,265,286)(H,266,303)(H,267,311)(H,282,283)(H4,217,218,226)(H4,219,220,227)(H4,221,222,228)(H4,223,224,229)/t109-,110-,111-,112-,113+,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,135-,136-,137-,138-,139-,140-,141-,142-,143-,144-,145-,146-,147-,148-,149-,150-,151-,159-,160-,161-,162-,163-/m0/s1
Affinity DataIC50: 9.20nMAssay Description:Displacement of [125I]Ac-PACAP27 from human recombinant PAC1 receptor expressed in CHO cells by gamma- counterMore data for this Ligand-Target Pair
TargetPituitary adenylate cyclase-activating polypeptide type I receptor(Homo sapiens (Human))
Abbott Laboratories

Curated by ChEMBL
LigandPNGBDBM50250046(CHEMBL525258 | [N-Me-Ser2]PACAP27)
Show SMILES CC[C@H](C)[C@H](NC(=O)CNC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CO)N(C)C(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)C(N)=O
Show InChI InChI=1S/C143H226N40O39S/c1-17-76(10)114(179-109(192)67-157-120(201)103(64-110(193)194)174-136(217)107(70-186)183(15)141(222)89(147)63-85-66-154-71-158-85)139(220)175-102(59-81-29-19-18-20-30-81)133(214)182-115(80(14)187)140(221)176-104(65-111(195)196)132(213)178-106(69-185)135(216)173-101(62-84-40-46-88(190)47-41-84)131(212)177-105(68-184)134(215)165-94(35-28-55-156-143(152)153)126(207)171-99(60-82-36-42-86(188)43-37-82)129(210)164-93(34-27-54-155-142(150)151)124(205)162-90(31-21-24-51-144)122(203)166-95(48-49-108(148)191)127(208)167-96(50-56-223-16)121(202)160-79(13)119(200)180-112(74(6)7)137(218)168-92(33-23-26-53-146)123(204)163-91(32-22-25-52-145)125(206)172-100(61-83-38-44-87(189)45-39-83)130(211)170-98(58-73(4)5)128(209)161-77(11)117(198)159-78(12)118(199)181-113(75(8)9)138(219)169-97(116(149)197)57-72(2)3/h18-20,29-30,36-47,66,71-80,89-107,112-115,184-190H,17,21-28,31-35,48-65,67-70,144-147H2,1-16H3,(H2,148,191)(H2,149,197)(H,154,158)(H,157,201)(H,159,198)(H,160,202)(H,161,209)(H,162,205)(H,163,204)(H,164,210)(H,165,215)(H,166,203)(H,167,208)(H,168,218)(H,169,219)(H,170,211)(H,171,207)(H,172,206)(H,173,216)(H,174,217)(H,175,220)(H,176,221)(H,177,212)(H,178,213)(H,179,192)(H,180,200)(H,181,199)(H,182,214)(H,193,194)(H,195,196)(H4,150,151,155)(H4,152,153,156)/t76-,77-,78-,79-,80+,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,112-,113-,114-,115-/m0/s1
Affinity DataIC50: 9.40nMAssay Description:Displacement of [125I]Ac-PACAP27 from human recombinant PAC1 receptor expressed in CHO cells by gamma- counterMore data for this Ligand-Target Pair
TargetPituitary adenylate cyclase-activating polypeptide type I receptor(Homo sapiens (Human))
Abbott Laboratories

Curated by ChEMBL
LigandPNGBDBM50250084(CHEMBL500227 | [Aib2]PACAP27)
Show SMILES CC[C@H](C)[C@H](NC(=O)CNC(=O)[C@H](CC(O)=O)NC(=O)C(C)(C)NC(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)C(N)=O
Show InChI InChI=1S/C143H226N40O38S/c1-18-76(10)113(179-108(191)68-157-120(201)103(65-109(192)193)178-140(221)143(15,16)183-119(200)89(147)64-85-67-154-71-158-85)138(219)174-102(60-81-30-20-19-21-31-81)133(214)182-114(80(14)186)139(220)175-104(66-110(194)195)132(213)177-106(70-185)135(216)173-101(63-84-41-47-88(189)48-42-84)131(212)176-105(69-184)134(215)165-94(36-29-56-156-142(152)153)126(207)171-99(61-82-37-43-86(187)44-38-82)129(210)164-93(35-28-55-155-141(150)151)124(205)162-90(32-22-25-52-144)122(203)166-95(49-50-107(148)190)127(208)167-96(51-57-222-17)121(202)160-79(13)118(199)180-111(74(6)7)136(217)168-92(34-24-27-54-146)123(204)163-91(33-23-26-53-145)125(206)172-100(62-83-39-45-87(188)46-40-83)130(211)170-98(59-73(4)5)128(209)161-77(11)116(197)159-78(12)117(198)181-112(75(8)9)137(218)169-97(115(149)196)58-72(2)3/h19-21,30-31,37-48,67,71-80,89-106,111-114,184-189H,18,22-29,32-36,49-66,68-70,144-147H2,1-17H3,(H2,148,190)(H2,149,196)(H,154,158)(H,157,201)(H,159,197)(H,160,202)(H,161,209)(H,162,205)(H,163,204)(H,164,210)(H,165,215)(H,166,203)(H,167,208)(H,168,217)(H,169,218)(H,170,211)(H,171,207)(H,172,206)(H,173,216)(H,174,219)(H,175,220)(H,176,212)(H,177,213)(H,178,221)(H,179,191)(H,180,199)(H,181,198)(H,182,214)(H,183,200)(H,192,193)(H,194,195)(H4,150,151,155)(H4,152,153,156)/t76-,77-,78-,79-,80+,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,111-,112-,113-,114-/m0/s1
Affinity DataIC50: 9.5nMAssay Description:Displacement of [125I]Ac-PACAP27 from human recombinant PAC1 receptor expressed in CHO cells by gamma- counterMore data for this Ligand-Target Pair
TargetPituitary adenylate cyclase-activating polypeptide type I receptor(Homo sapiens (Human))
Abbott Laboratories

Curated by ChEMBL
LigandPNGBDBM50250027(CHEMBL525091 | [Ala4]PACAP38)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCCN)C(N)=O
Show InChI InChI=1S/C204H333N63O53S/c1-19-109(12)162(266-168(288)113(16)235-185(305)148(96-157(280)281)256-194(314)150(100-268)260-169(289)125(212)94-120-98-225-103-231-120)199(319)258-146(89-115-41-21-20-22-42-115)192(312)267-163(114(17)271)200(320)259-149(97-158(282)283)191(311)262-152(102-270)195(315)254-145(93-119-60-68-124(275)69-61-119)189(309)261-151(101-269)193(313)244-135(52-39-84-228-203(221)222)180(300)252-143(91-117-56-64-122(273)65-57-117)187(307)243-133(50-37-82-226-201(217)218)176(296)238-128(45-25-32-77-207)173(293)246-138(71-73-154(214)277)182(302)247-139(74-86-321-18)171(291)233-112(15)167(287)263-159(106(6)7)196(316)248-131(48-28-35-80-210)175(295)239-130(47-27-34-79-209)177(297)253-144(92-118-58-66-123(274)67-59-118)188(308)250-141(88-105(4)5)184(304)234-110(13)165(285)232-111(14)166(286)264-160(107(8)9)198(318)257-140(87-104(2)3)170(290)230-99-156(279)236-127(44-24-31-76-206)172(292)240-134(51-38-83-227-202(219)220)179(299)251-142(90-116-54-62-121(272)63-55-116)186(306)242-129(46-26-33-78-208)174(294)245-137(70-72-153(213)276)181(301)241-136(53-40-85-229-204(223)224)183(303)265-161(108(10)11)197(317)249-132(49-29-36-81-211)178(298)255-147(95-155(215)278)190(310)237-126(164(216)284)43-23-30-75-205/h20-22,41-42,54-69,98,103-114,125-152,159-163,268-275H,19,23-40,43-53,70-97,99-102,205-212H2,1-18H3,(H2,213,276)(H2,214,277)(H2,215,278)(H2,216,284)(H,225,231)(H,230,290)(H,232,285)(H,233,291)(H,234,304)(H,235,305)(H,236,279)(H,237,310)(H,238,296)(H,239,295)(H,240,292)(H,241,301)(H,242,306)(H,243,307)(H,244,313)(H,245,294)(H,246,293)(H,247,302)(H,248,316)(H,249,317)(H,250,308)(H,251,299)(H,252,300)(H,253,297)(H,254,315)(H,255,298)(H,256,314)(H,257,318)(H,258,319)(H,259,320)(H,260,289)(H,261,309)(H,262,311)(H,263,287)(H,264,286)(H,265,303)(H,266,288)(H,267,312)(H,280,281)(H,282,283)(H4,217,218,226)(H4,219,220,227)(H4,221,222,228)(H4,223,224,229)/t109-,110-,111-,112-,113-,114+,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,135-,136-,137-,138-,139-,140-,141-,142-,143-,144-,145-,146-,147-,148-,149-,150-,151-,152-,159-,160-,161-,162-,163-/m0/s1
Affinity DataIC50: 9.84nMAssay Description:Displacement of [125I]Ac-PACAP27 from human recombinant PAC1 receptor expressed in CHO cells by gamma- counterMore data for this Ligand-Target Pair
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