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Compile Data Set for Download or QSAR

Found 360 hits with Last Name = 'bourg' and Initial = 's'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Pituitary adenylate cyclase-activating polypeptide type I receptor


(Homo sapiens (Human))
BDBM50250033
PNG
(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 |r|
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
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 4n/an/an/an/an/an/a



Institut National de la Recherche Scientifique

Curated by ChEMBL


Assay Description
Displacement of [125I]Ac-PACAP27 from human recombinant PAC1 receptor expressed in CHO cells by gamma- counter


J Med Chem 52: 3308-16 (2009)


Article DOI: 10.1021/jm900291j
BindingDB Entry DOI: 10.7270/Q29023PC
More data for this
Ligand-Target Pair
Pituitary adenylate cyclase-activating polypeptide type I receptor


(Homo sapiens (Human))
BDBM50250074
PNG
(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 |r,wU:26.26,12.16,4.4,54.56,55.59,69.71,87.90,104.107,127.131,145.149,158.162,174.178,195.200,208.214,220.225,wD:20.22,2.2,37.37,61.63,75.77,93.96,116.120,136.140,153.158,165.169,183.187,203.209,213.218,(4.93,2.23,;4.93,.69,;6.26,-.08,;7.6,.69,;6.26,-1.62,;4.93,-2.39,;3.6,-1.62,;3.6,-.08,;2.26,-2.39,;.93,-1.62,;-.4,-2.39,;-.4,-3.93,;-1.74,-1.62,;-1.74,-.08,;-.4,.69,;.93,-.08,;-.4,2.23,;-3.07,-2.39,;-4.4,-1.62,;-4.4,-.08,;-5.74,-2.39,;-5.74,-3.93,;-4.4,-4.7,;-7.07,-1.62,;-8.41,-2.39,;-8.41,-3.93,;-9.74,-1.62,;-11.07,-2.39,;-9.74,-.08,;-8.41,.69,;-6.99,.06,;-5.96,1.21,;-6.73,2.55,;-8.24,2.23,;7.6,-2.39,;7.6,-3.93,;8.93,-1.62,;10.27,-2.39,;10.27,-3.93,;11.6,-4.7,;11.6,-6.25,;12.94,-7.02,;14.28,-6.25,;14.28,-4.7,;12.94,-3.93,;15.61,-7.01,;15.61,-8.56,;16.95,-9.33,;18.29,-8.56,;18.28,-7,;16.94,-6.24,;11.6,-1.62,;11.6,-.08,;12.93,-2.39,;14.27,-1.62,;14.27,-.08,;12.93,.69,;15.6,.69,;15.6,-2.39,;15.6,-3.93,;16.93,-1.62,;18.27,-2.39,;18.27,-3.93,;19.6,-4.7,;20.93,-3.93,;19.6,-6.24,;19.6,-1.62,;19.6,-.08,;20.93,-2.39,;22.27,-1.62,;22.27,-.08,;23.6,.69,;23.6,-2.39,;23.6,-3.93,;24.94,-1.62,;26.27,-2.39,;26.27,-3.93,;27.6,-4.7,;28.94,-3.93,;30.28,-4.7,;30.28,-6.25,;31.61,-7.02,;28.94,-7.02,;27.6,-6.25,;27.6,-1.62,;27.6,-.08,;28.94,-2.39,;30.27,-1.62,;30.27,-.08,;31.6,.69,;31.6,-2.39,;31.6,-3.93,;32.94,-1.62,;34.27,-2.39,;34.27,-3.93,;35.61,-4.7,;35.61,-6.24,;36.94,-7.01,;36.94,-8.55,;35.61,-9.32,;38.27,-9.32,;35.61,-1.62,;35.61,-.08,;36.94,-2.39,;38.27,-1.62,;38.27,-.08,;39.61,.69,;40.94,-.08,;42.28,.69,;42.28,2.24,;43.62,3.01,;40.94,3.01,;39.61,2.24,;39.61,-2.39,;39.61,-3.93,;40.94,-1.62,;42.27,-2.39,;42.27,-3.93,;43.61,-4.7,;43.61,-6.24,;44.94,-7.01,;44.94,-8.55,;43.61,-9.32,;46.27,-9.32,;43.61,-1.62,;43.61,-.08,;44.94,-2.39,;46.27,-1.62,;46.27,-.08,;47.61,.69,;47.61,2.23,;48.94,3,;48.94,4.54,;47.61,-2.39,;47.61,-3.93,;48.94,-1.62,;50.28,-2.39,;50.28,-3.93,;51.61,-4.7,;51.61,-6.24,;50.28,-7.01,;52.94,-7.01,;51.61,-1.62,;51.61,-.08,;52.94,-2.39,;54.28,-1.62,;54.28,-.08,;55.61,.69,;55.61,2.23,;56.94,3,;55.61,-2.39,;55.61,-3.93,;56.94,-1.62,;58.28,-2.39,;58.28,-3.93,;59.61,-1.62,;59.61,-.08,;60.94,-2.39,;62.28,-1.62,;62.28,-.08,;63.61,.69,;60.94,.69,;63.61,-2.39,;63.61,-3.93,;64.95,-1.62,;66.28,-2.39,;66.28,-3.93,;67.61,-4.7,;67.61,-6.24,;68.95,-7.01,;68.95,-8.55,;67.61,-1.62,;67.61,-.08,;68.95,-2.39,;70.28,-1.62,;70.28,-.08,;71.61,.69,;71.61,2.23,;72.95,3,;72.95,4.54,;71.61,-2.39,;71.61,-3.93,;72.95,-1.62,;74.28,-2.39,;74.28,-3.93,;75.61,-4.7,;76.95,-3.93,;78.29,-4.7,;78.29,-6.25,;79.63,-7.02,;76.95,-7.02,;75.61,-6.25,;75.61,-1.62,;75.61,-.08,;76.95,-2.39,;78.28,-1.62,;78.28,-.08,;79.62,.69,;79.62,2.23,;80.95,-.08,;79.62,-2.39,;79.62,-3.93,;80.95,-1.62,;82.28,-2.39,;82.28,-3.93,;83.62,-1.62,;83.62,-.08,;84.95,-2.39,;86.28,-1.62,;86.28,-.08,;87.62,-2.39,;87.62,-3.93,;88.95,-1.62,;90.29,-2.39,;90.29,-3.93,;91.62,-4.7,;88.95,-4.7,;91.62,-1.62,;91.62,-.08,;92.95,-2.39,;94.29,-1.62,;94.29,-.08,;95.62,.69,;95.62,2.23,;96.95,-.08,;95.62,-2.39,;96.95,-1.62,;95.62,-3.93,)|
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
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 4.5n/an/an/an/an/an/a



Institut National de la Recherche Scientifique

Curated by ChEMBL


Assay Description
Displacement of [125I]Ac-PACAP27 from human recombinant PAC1 receptor expressed in CHO cells by gamma- counter


J Med Chem 52: 3308-16 (2009)


Article DOI: 10.1021/jm900291j
BindingDB Entry DOI: 10.7270/Q29023PC
More data for this
Ligand-Target Pair
Pituitary adenylate cyclase-activating polypeptide type I receptor


(Homo sapiens (Human))
BDBM50250034
PNG
(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 |r,wU:12.16,4.4,48.49,49.52,63.64,81.83,98.100,121.124,139.142,152.155,168.171,189.193,202.207,214.218,wD:26.26,20.22,2.2,37.37,55.56,69.70,87.89,110.113,130.133,147.151,159.162,177.180,197.202,207.211,(7.72,-56.18,;7.72,-57.72,;9.06,-58.49,;10.39,-57.72,;9.06,-60.03,;7.72,-60.8,;6.39,-60.03,;6.39,-58.49,;5.05,-60.8,;3.72,-60.03,;2.39,-60.8,;2.39,-62.34,;1.05,-60.03,;1.05,-58.49,;2.39,-57.72,;3.72,-58.49,;2.39,-56.18,;-.28,-60.8,;-1.61,-60.03,;-1.61,-58.49,;-2.95,-60.8,;-2.95,-62.34,;-1.61,-63.11,;-4.28,-60.03,;-5.62,-60.8,;-5.62,-62.34,;-6.95,-60.03,;-8.28,-60.8,;-6.95,-58.49,;-5.62,-57.72,;-4.2,-58.35,;-3.17,-57.2,;-3.94,-55.86,;-5.45,-56.18,;10.39,-60.8,;10.39,-62.34,;11.72,-60.03,;13.06,-60.8,;13.06,-62.34,;14.39,-63.11,;15.73,-62.34,;17.07,-63.11,;17.07,-64.66,;15.73,-65.43,;14.39,-64.66,;14.39,-60.03,;14.39,-58.49,;15.72,-60.8,;17.06,-60.03,;17.06,-58.49,;15.72,-57.72,;18.39,-57.72,;18.39,-60.8,;18.39,-62.34,;19.72,-60.03,;21.06,-60.8,;21.06,-62.34,;22.39,-63.11,;23.73,-62.34,;22.39,-64.65,;22.39,-60.03,;22.39,-58.49,;23.73,-60.8,;25.06,-60.03,;25.06,-58.49,;26.39,-57.72,;26.39,-60.8,;26.39,-62.34,;27.73,-60.03,;29.06,-60.8,;29.06,-62.34,;30.39,-63.11,;31.73,-62.34,;33.07,-63.11,;33.07,-64.66,;34.4,-65.43,;31.73,-65.43,;30.39,-64.66,;30.39,-60.03,;30.39,-58.49,;31.73,-60.8,;33.06,-60.03,;33.06,-58.49,;34.39,-57.72,;34.39,-60.8,;34.39,-62.34,;35.73,-60.03,;37.06,-60.8,;37.06,-62.34,;38.4,-63.11,;38.4,-64.65,;39.73,-65.42,;39.73,-66.96,;38.4,-67.73,;41.06,-67.73,;38.4,-60.03,;38.4,-58.49,;39.73,-60.8,;41.06,-60.03,;41.06,-58.49,;42.4,-57.72,;43.73,-58.49,;45.07,-57.72,;45.07,-56.18,;46.41,-55.41,;43.73,-55.4,;42.4,-56.18,;42.4,-60.8,;42.4,-62.34,;43.73,-60.03,;45.06,-60.8,;45.06,-62.34,;46.4,-63.11,;46.4,-64.65,;47.73,-65.42,;47.73,-66.96,;46.4,-67.73,;49.06,-67.73,;46.4,-60.03,;46.4,-58.49,;47.73,-60.8,;49.06,-60.03,;49.06,-58.49,;50.4,-57.72,;50.4,-56.18,;51.73,-55.41,;51.73,-53.87,;50.4,-60.8,;50.4,-62.34,;51.73,-60.03,;53.07,-60.8,;53.07,-62.34,;54.4,-63.11,;54.4,-64.65,;53.07,-65.42,;55.73,-65.42,;54.4,-60.03,;54.4,-58.49,;55.73,-60.8,;57.07,-60.03,;57.07,-58.49,;58.4,-57.72,;58.4,-56.18,;59.73,-55.41,;58.4,-60.8,;58.4,-62.34,;59.73,-60.03,;61.07,-60.8,;61.07,-62.34,;62.4,-60.03,;62.4,-58.49,;63.73,-60.8,;65.07,-60.03,;65.07,-58.49,;66.4,-57.72,;63.73,-57.72,;66.4,-60.8,;66.4,-62.34,;67.74,-60.03,;69.07,-60.8,;69.07,-62.34,;70.4,-63.11,;70.4,-64.65,;71.74,-65.42,;71.74,-66.96,;70.4,-60.03,;70.4,-58.49,;71.74,-60.8,;73.07,-60.03,;73.07,-58.49,;74.4,-57.72,;74.4,-56.18,;75.74,-55.41,;75.74,-53.87,;74.4,-60.8,;74.4,-62.34,;75.74,-60.03,;77.07,-60.8,;77.07,-62.34,;78.41,-63.11,;79.74,-62.34,;81.08,-63.11,;81.08,-64.66,;82.42,-65.43,;79.74,-65.43,;78.41,-64.66,;78.41,-60.03,;78.41,-58.49,;79.74,-60.8,;81.07,-60.03,;81.07,-58.49,;82.41,-57.72,;82.41,-56.18,;83.74,-58.49,;82.41,-60.8,;82.41,-62.34,;83.74,-60.03,;85.07,-60.8,;85.07,-62.34,;86.41,-60.03,;86.41,-58.49,;87.74,-60.8,;89.07,-60.03,;89.07,-58.49,;90.41,-60.8,;90.41,-62.34,;91.74,-60.03,;93.08,-60.8,;93.08,-62.34,;94.41,-63.11,;91.74,-63.11,;94.41,-60.03,;94.41,-58.49,;95.74,-60.8,;97.08,-60.03,;97.08,-58.49,;98.41,-57.72,;98.41,-56.18,;99.74,-58.49,;98.41,-60.8,;99.74,-60.03,;98.41,-62.34,)|
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
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 4.90n/an/an/an/an/an/a



Institut National de la Recherche Scientifique

Curated by ChEMBL


Assay Description
Displacement of [125I]Ac-PACAP27 from human recombinant PAC1 receptor expressed in CHO cells by gamma- counter


J Med Chem 52: 3308-16 (2009)


Article DOI: 10.1021/jm900291j
BindingDB Entry DOI: 10.7270/Q29023PC
More data for this
Ligand-Target Pair
Pituitary adenylate cyclase-activating polypeptide type I receptor


(Homo sapiens (Human))
BDBM50250077
PNG
(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 |r|
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
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 5n/an/an/an/an/an/a



Institut National de la Recherche Scientifique

Curated by ChEMBL


Assay Description
Displacement of [125I]Ac-PACAP27 from human recombinant PAC1 receptor expressed in CHO cells by gamma- counter


J Med Chem 52: 3308-16 (2009)


Article DOI: 10.1021/jm900291j
BindingDB Entry DOI: 10.7270/Q29023PC
More data for this
Ligand-Target Pair
Pituitary adenylate cyclase-activating polypeptide type I receptor


(Homo sapiens (Human))
BDBM50250022
PNG
(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 |r,wU:25.25,12.16,4.4,47.48,48.51,62.63,80.82,97.99,120.123,138.141,151.154,167.170,188.192,201.206,213.217,wD:20.20,2.2,36.36,54.55,68.69,86.88,109.112,129.132,146.150,158.161,176.179,196.201,206.210,(4.02,-45.96,;4.02,-47.5,;5.35,-48.27,;6.69,-47.5,;5.35,-49.81,;4.02,-50.58,;2.69,-49.81,;2.69,-48.27,;1.35,-50.58,;.02,-49.81,;-1.32,-50.58,;-1.32,-52.12,;-2.65,-49.81,;-2.65,-48.27,;-1.32,-47.5,;.02,-48.27,;-1.32,-45.96,;-3.98,-50.58,;-5.32,-49.81,;-5.32,-48.27,;-6.65,-50.58,;-6.65,-52.12,;-7.98,-49.81,;-9.32,-50.58,;-9.32,-52.12,;-10.65,-49.81,;-11.99,-50.58,;-10.65,-48.27,;-9.32,-47.5,;-7.91,-48.13,;-6.87,-46.98,;-7.64,-45.64,;-9.16,-45.96,;6.69,-50.58,;6.69,-52.12,;8.02,-49.81,;9.35,-50.58,;9.35,-52.12,;10.69,-52.89,;12.03,-52.11,;13.36,-52.89,;13.36,-54.43,;12.03,-55.2,;10.69,-54.43,;10.69,-49.81,;10.69,-48.27,;12.02,-50.58,;13.36,-49.81,;13.36,-48.27,;12.02,-47.5,;14.69,-47.5,;14.69,-50.58,;14.69,-52.12,;16.02,-49.81,;17.36,-50.58,;17.36,-52.12,;18.69,-52.89,;20.02,-52.12,;18.69,-54.43,;18.69,-49.81,;18.69,-48.27,;20.02,-50.58,;21.36,-49.81,;21.36,-48.27,;22.69,-47.5,;22.69,-50.58,;22.69,-52.12,;24.02,-49.81,;25.36,-50.58,;25.36,-52.12,;26.69,-52.89,;28.03,-52.11,;29.37,-52.89,;29.37,-54.43,;30.7,-55.2,;28.03,-55.2,;26.69,-54.43,;26.69,-49.81,;26.69,-48.27,;28.03,-50.58,;29.36,-49.81,;29.36,-48.27,;30.69,-47.5,;30.69,-50.58,;30.69,-52.12,;32.03,-49.81,;33.36,-50.58,;33.36,-52.12,;34.69,-52.89,;34.69,-54.43,;36.03,-55.2,;36.03,-56.74,;34.69,-57.51,;37.36,-57.51,;34.69,-49.81,;34.69,-48.27,;36.03,-50.58,;37.36,-49.81,;37.36,-48.27,;38.7,-47.5,;40.03,-48.27,;41.37,-47.5,;41.37,-45.95,;42.71,-45.18,;40.03,-45.18,;38.7,-45.95,;38.7,-50.58,;38.7,-52.12,;40.03,-49.81,;41.36,-50.58,;41.36,-52.12,;42.7,-52.89,;42.7,-54.43,;44.03,-55.2,;44.03,-56.74,;42.7,-57.51,;45.36,-57.51,;42.7,-49.81,;42.7,-48.27,;44.03,-50.58,;45.36,-49.81,;45.36,-48.27,;46.7,-47.5,;46.7,-45.96,;48.03,-45.19,;48.03,-43.65,;46.7,-50.58,;46.7,-52.12,;48.03,-49.81,;49.37,-50.58,;49.37,-52.12,;50.7,-52.89,;50.7,-54.43,;49.37,-55.2,;52.03,-55.2,;50.7,-49.81,;50.7,-48.27,;52.03,-50.58,;53.37,-49.81,;53.37,-48.27,;54.7,-47.5,;54.7,-45.96,;56.03,-45.19,;54.7,-50.58,;54.7,-52.12,;56.03,-49.81,;57.37,-50.58,;57.37,-52.12,;58.7,-49.81,;58.7,-48.27,;60.04,-50.58,;61.37,-49.81,;61.37,-48.27,;62.7,-47.5,;60.04,-47.5,;62.7,-50.58,;62.7,-52.12,;64.04,-49.81,;65.37,-50.58,;65.37,-52.12,;66.7,-52.89,;66.7,-54.43,;68.04,-55.2,;68.04,-56.74,;66.7,-49.81,;66.7,-48.27,;68.04,-50.58,;69.37,-49.81,;69.37,-48.27,;70.71,-47.5,;70.71,-45.96,;72.04,-45.19,;72.04,-43.65,;70.71,-50.58,;70.71,-52.12,;72.04,-49.81,;73.37,-50.58,;73.37,-52.12,;74.71,-52.89,;76.04,-52.11,;77.38,-52.89,;77.38,-54.43,;78.72,-55.2,;76.04,-55.2,;74.71,-54.43,;74.71,-49.81,;74.71,-48.27,;76.04,-50.58,;77.37,-49.81,;77.37,-48.27,;78.71,-47.5,;78.71,-45.96,;80.04,-48.27,;78.71,-50.58,;78.71,-52.12,;80.04,-49.81,;81.37,-50.58,;81.37,-52.12,;82.71,-49.81,;82.71,-48.27,;84.04,-50.58,;85.38,-49.81,;85.38,-48.27,;86.71,-50.58,;86.71,-52.12,;88.04,-49.81,;89.38,-50.58,;89.38,-52.12,;90.71,-52.89,;88.04,-52.89,;90.71,-49.81,;90.71,-48.27,;92.04,-50.58,;93.38,-49.81,;93.38,-48.27,;94.71,-47.5,;94.71,-45.96,;96.05,-48.27,;94.71,-50.58,;96.05,-49.81,;94.71,-52.12,)|
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
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 5.10n/an/an/an/an/an/a



Institut National de la Recherche Scientifique

Curated by ChEMBL


Assay Description
Displacement of [125I]Ac-PACAP27 from human recombinant PAC1 receptor expressed in CHO cells by gamma- counter


J Med Chem 52: 3308-16 (2009)


Article DOI: 10.1021/jm900291j
BindingDB Entry DOI: 10.7270/Q29023PC
More data for this
Ligand-Target Pair
Pituitary adenylate cyclase-activating polypeptide type I receptor


(Homo sapiens (Human))
BDBM50250035
PNG
(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 |r|
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
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 5.30n/an/an/an/an/an/a



Institut National de la Recherche Scientifique

Curated by ChEMBL


Assay Description
Displacement of [125I]Ac-PACAP27 from human recombinant PAC1 receptor expressed in CHO cells by gamma- counter


J Med Chem 52: 3308-16 (2009)


Article DOI: 10.1021/jm900291j
BindingDB Entry DOI: 10.7270/Q29023PC
More data for this
Ligand-Target Pair
Pituitary adenylate cyclase-activating polypeptide type I receptor


(Homo sapiens (Human))
BDBM50250075
PNG
(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 |r|
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
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 5.40n/an/an/an/an/an/a



Institut National de la Recherche Scientifique

Curated by ChEMBL


Assay Description
Displacement of [125I]Ac-PACAP27 from human recombinant PAC1 receptor expressed in CHO cells by gamma- counter


J Med Chem 52: 3308-16 (2009)


Article DOI: 10.1021/jm900291j
BindingDB Entry DOI: 10.7270/Q29023PC
More data for this
Ligand-Target Pair
Pituitary adenylate cyclase-activating polypeptide type I receptor


(Homo sapiens (Human))
BDBM50250059
PNG
(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 |r|
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
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 5.70n/an/an/an/an/an/a



Institut National de la Recherche Scientifique

Curated by ChEMBL


Assay Description
Displacement of [125I]Ac-PACAP27 from human recombinant PAC1 receptor expressed in CHO cells by gamma- counter


J Med Chem 52: 3308-16 (2009)


Article DOI: 10.1021/jm900291j
BindingDB Entry DOI: 10.7270/Q29023PC
More data for this
Ligand-Target Pair
Pituitary adenylate cyclase-activating polypeptide type I receptor


(Homo sapiens (Human))
BDBM50250019
PNG
(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 |r|
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
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 6.10n/an/an/an/an/an/a



Institut National de la Recherche Scientifique

Curated by ChEMBL


Assay Description
Displacement of [125I]Ac-PACAP27 from human recombinant PAC1 receptor expressed in CHO cells by gamma- counter


J Med Chem 52: 3308-16 (2009)


Article DOI: 10.1021/jm900291j
BindingDB Entry DOI: 10.7270/Q29023PC
More data for this
Ligand-Target Pair
Pituitary adenylate cyclase-activating polypeptide type I receptor


(Homo sapiens (Human))
BDBM50250076
PNG
(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 |r,wU:26.26,12.16,4.4,52.54,53.57,67.69,85.88,102.105,125.129,143.147,156.160,172.176,193.198,206.212,218.223,wD:20.22,2.2,37.37,59.61,73.75,91.94,114.118,134.138,151.156,163.167,181.185,201.207,211.216,(3.18,-47.37,;3.18,-48.91,;4.52,-49.68,;5.85,-48.91,;4.52,-51.22,;3.18,-51.99,;1.85,-51.22,;1.85,-49.68,;.51,-51.99,;-.82,-51.22,;-2.15,-51.99,;-2.15,-53.53,;-3.49,-51.22,;-3.49,-49.68,;-2.15,-48.91,;-.82,-49.68,;-2.15,-47.37,;-4.82,-51.99,;-6.15,-51.22,;-6.15,-49.68,;-7.49,-51.99,;-7.49,-53.53,;-6.15,-54.3,;-8.82,-51.22,;-10.16,-51.99,;-10.16,-53.53,;-11.49,-51.22,;-12.82,-51.99,;-11.49,-49.68,;-10.16,-48.91,;-8.74,-49.54,;-7.71,-48.39,;-8.48,-47.05,;-9.99,-47.38,;5.85,-51.99,;5.85,-53.53,;7.18,-51.22,;8.52,-51.99,;8.52,-53.53,;9.85,-54.3,;11.19,-53.53,;12.53,-54.3,;12.53,-55.85,;11.2,-56.62,;11.21,-58.16,;9.88,-58.95,;8.52,-58.18,;8.51,-56.63,;9.85,-55.85,;9.85,-51.22,;9.85,-49.68,;11.18,-51.99,;12.52,-51.22,;12.52,-49.68,;11.18,-48.91,;13.85,-48.91,;13.85,-51.99,;13.85,-53.53,;15.19,-51.22,;16.52,-51.99,;16.52,-53.53,;17.85,-54.3,;19.19,-53.53,;17.85,-55.84,;17.85,-51.22,;17.85,-49.68,;19.19,-51.99,;20.52,-51.22,;20.52,-49.68,;21.85,-48.91,;21.85,-51.99,;21.85,-53.53,;23.19,-51.22,;24.52,-51.99,;24.52,-53.53,;25.86,-54.3,;27.19,-53.53,;28.53,-54.3,;28.53,-55.85,;29.87,-56.62,;27.19,-56.62,;25.86,-55.85,;25.86,-51.22,;25.86,-49.68,;27.19,-51.99,;28.52,-51.22,;28.52,-49.68,;29.86,-48.91,;29.86,-51.99,;29.86,-53.53,;31.19,-51.22,;32.52,-51.99,;32.52,-53.53,;33.86,-54.3,;33.86,-55.84,;35.19,-56.61,;35.19,-58.15,;33.86,-58.92,;36.52,-58.92,;33.86,-51.22,;33.86,-49.68,;35.19,-51.99,;36.52,-51.22,;36.52,-49.68,;37.86,-48.91,;39.2,-49.69,;40.54,-48.91,;40.54,-47.37,;41.87,-46.6,;39.2,-46.6,;37.86,-47.37,;37.86,-51.99,;37.86,-53.53,;39.19,-51.22,;40.53,-51.99,;40.53,-53.53,;41.86,-54.3,;41.86,-55.84,;43.19,-56.61,;43.19,-58.15,;41.86,-58.92,;44.53,-58.92,;41.86,-51.22,;41.86,-49.68,;43.19,-51.99,;44.53,-51.22,;44.53,-49.68,;45.86,-48.91,;45.86,-47.37,;47.19,-46.6,;47.19,-45.06,;45.86,-51.99,;45.86,-53.53,;47.19,-51.22,;48.53,-51.99,;48.53,-53.53,;49.86,-54.3,;49.86,-55.84,;48.53,-56.61,;51.2,-56.61,;49.86,-51.22,;49.86,-49.68,;51.2,-51.99,;52.53,-51.22,;52.53,-49.68,;53.86,-48.91,;53.86,-47.37,;55.2,-46.6,;53.86,-51.99,;53.86,-53.53,;55.2,-51.22,;56.53,-51.99,;56.53,-53.53,;57.86,-51.22,;57.86,-49.68,;59.2,-51.99,;60.53,-51.22,;60.53,-49.68,;61.87,-48.91,;59.2,-48.91,;61.87,-51.99,;61.87,-53.53,;63.2,-51.22,;64.53,-51.99,;64.53,-53.53,;65.87,-54.3,;65.87,-55.84,;67.2,-56.61,;67.2,-58.15,;65.87,-51.22,;65.87,-49.68,;67.2,-51.99,;68.53,-51.22,;68.53,-49.68,;69.87,-48.91,;69.87,-47.37,;71.2,-46.6,;71.2,-45.06,;69.87,-51.99,;69.87,-53.53,;71.2,-51.22,;72.54,-51.99,;72.54,-53.53,;73.87,-54.3,;75.21,-53.53,;76.55,-54.3,;76.55,-55.85,;77.88,-56.62,;75.21,-56.62,;73.87,-55.85,;73.87,-51.22,;73.87,-49.68,;75.2,-51.99,;76.54,-51.22,;76.54,-49.68,;77.87,-48.91,;77.87,-47.37,;79.2,-49.68,;77.87,-51.99,;77.87,-53.53,;79.2,-51.22,;80.54,-51.99,;80.54,-53.53,;81.87,-51.22,;81.87,-49.68,;83.2,-51.99,;84.54,-51.22,;84.54,-49.68,;85.87,-51.99,;85.87,-53.53,;87.21,-51.22,;88.54,-51.99,;88.54,-53.53,;89.87,-54.3,;87.21,-54.3,;89.87,-51.22,;89.87,-49.68,;91.21,-51.99,;92.54,-51.22,;92.54,-49.68,;93.87,-48.91,;93.87,-47.37,;95.21,-49.68,;93.87,-51.99,;95.21,-51.22,;93.87,-53.53,)|
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
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 6.5n/an/an/an/an/an/a



Institut National de la Recherche Scientifique

Curated by ChEMBL


Assay Description
Displacement of [125I]Ac-PACAP27 from human recombinant PAC1 receptor expressed in CHO cells by gamma- counter


J Med Chem 52: 3308-16 (2009)


Article DOI: 10.1021/jm900291j
BindingDB Entry DOI: 10.7270/Q29023PC
More data for this
Ligand-Target Pair
Pituitary adenylate cyclase-activating polypeptide type I receptor


(Homo sapiens (Human))
BDBM50250037
PNG
(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 |r|
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
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 6.60n/an/an/an/an/an/a



Institut National de la Recherche Scientifique

Curated by ChEMBL


Assay Description
Displacement of [125I]Ac-PACAP27 from human recombinant PAC1 receptor expressed in CHO cells by gamma- counter


J Med Chem 52: 3308-16 (2009)


Article DOI: 10.1021/jm900291j
BindingDB Entry DOI: 10.7270/Q29023PC
More data for this
Ligand-Target Pair
Pituitary adenylate cyclase-activating polypeptide type I receptor


(Homo sapiens (Human))
BDBM50250071
PNG
(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 |r|
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
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 6.60n/an/an/an/an/an/a



Institut National de la Recherche Scientifique

Curated by ChEMBL


Assay Description
Displacement of [125I]Ac-PACAP27 from human recombinant PAC1 receptor expressed in CHO cells by gamma- counter


J Med Chem 52: 3308-16 (2009)


Article DOI: 10.1021/jm900291j
BindingDB Entry DOI: 10.7270/Q29023PC
More data for this
Ligand-Target Pair
Pituitary adenylate cyclase-activating polypeptide type I receptor


(Homo sapiens (Human))
BDBM50250073
PNG
(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 |r|
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
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 6.70n/an/an/an/an/an/a



Institut National de la Recherche Scientifique

Curated by ChEMBL


Assay Description
Displacement of [125I]Ac-PACAP27 from human recombinant PAC1 receptor expressed in CHO cells by gamma- counter


J Med Chem 52: 3308-16 (2009)


Article DOI: 10.1021/jm900291j
BindingDB Entry DOI: 10.7270/Q29023PC
More data for this
Ligand-Target Pair
Pituitary adenylate cyclase-activating polypeptide type I receptor


(Homo sapiens (Human))
BDBM50250069
PNG
(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 |r|
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
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 7n/an/an/an/an/an/a



Institut National de la Recherche Scientifique

Curated by ChEMBL


Assay Description
Displacement of [125I]Ac-PACAP27 from human recombinant PAC1 receptor expressed in CHO cells by gamma- counter


J Med Chem 52: 3308-16 (2009)


Article DOI: 10.1021/jm900291j
BindingDB Entry DOI: 10.7270/Q29023PC
More data for this
Ligand-Target Pair
Pituitary adenylate cyclase-activating polypeptide type I receptor


(Homo sapiens (Human))
BDBM50250085
PNG
(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 |r|
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
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 7.20n/an/an/an/an/an/a



Institut National de la Recherche Scientifique

Curated by ChEMBL


Assay Description
Displacement of [125I]Ac-PACAP27 from human recombinant PAC1 receptor expressed in CHO cells by gamma- counter


J Med Chem 52: 3308-16 (2009)


Article DOI: 10.1021/jm900291j
BindingDB Entry DOI: 10.7270/Q29023PC
More data for this
Ligand-Target Pair
Pituitary adenylate cyclase-activating polypeptide type I receptor


(Homo sapiens (Human))
BDBM50250039
PNG
(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 |r|
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
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 7.20n/an/an/an/an/an/a



Institut National de la Recherche Scientifique

Curated by ChEMBL


Assay Description
Displacement of [125I]Ac-PACAP27 from human recombinant PAC1 receptor expressed in CHO cells by gamma- counter


J Med Chem 52: 3308-16 (2009)


Article DOI: 10.1021/jm900291j
BindingDB Entry DOI: 10.7270/Q29023PC
More data for this
Ligand-Target Pair
Pituitary adenylate cyclase-activating polypeptide type I receptor


(Homo sapiens (Human))
BDBM50250036
PNG
(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 |r,wU:26.26,20.22,12.16,4.4,48.49,49.52,63.64,81.83,98.100,121.124,139.142,152.155,168.171,189.193,202.207,214.218,wD:2.2,37.37,55.56,69.70,87.89,110.113,130.133,147.151,159.162,177.180,197.202,207.211,(2.8,-22.25,;2.8,-23.79,;4.13,-24.56,;5.46,-23.79,;4.13,-26.1,;2.8,-26.87,;1.46,-26.1,;1.46,-24.56,;.13,-26.87,;-1.21,-26.1,;-2.54,-26.87,;-2.54,-28.41,;-3.87,-26.1,;-3.87,-24.56,;-2.54,-23.79,;-1.21,-24.56,;-2.54,-22.25,;-5.21,-26.87,;-6.54,-26.1,;-6.54,-24.56,;-7.87,-26.87,;-7.87,-28.41,;-6.54,-29.18,;-9.21,-26.1,;-10.54,-26.87,;-10.54,-28.41,;-11.87,-26.1,;-13.21,-26.87,;-11.87,-24.56,;-10.54,-23.79,;-9.13,-24.42,;-8.1,-23.27,;-8.87,-21.93,;-10.38,-22.25,;5.46,-26.87,;5.46,-28.41,;6.8,-26.1,;8.13,-26.87,;8.13,-28.41,;9.46,-29.18,;10.8,-28.41,;12.14,-29.18,;12.14,-30.72,;10.8,-31.5,;9.46,-30.72,;9.46,-26.1,;9.46,-24.56,;10.8,-26.87,;12.13,-26.1,;12.13,-24.56,;10.8,-23.79,;13.46,-23.79,;13.46,-26.87,;13.46,-28.41,;14.8,-26.1,;16.13,-26.87,;16.13,-28.41,;17.47,-29.18,;18.8,-28.41,;17.47,-30.72,;17.47,-26.1,;17.47,-24.56,;18.8,-26.87,;20.13,-26.1,;20.13,-24.56,;21.47,-23.79,;21.47,-26.87,;21.47,-28.41,;22.8,-26.1,;24.13,-26.87,;24.13,-28.41,;25.47,-29.18,;26.81,-28.41,;28.14,-29.18,;28.14,-30.72,;29.48,-31.49,;26.81,-31.5,;25.47,-30.72,;25.47,-26.1,;25.47,-24.56,;26.8,-26.87,;28.14,-26.1,;28.14,-24.56,;29.47,-23.79,;29.47,-26.87,;29.47,-28.41,;30.8,-26.1,;32.14,-26.87,;32.14,-28.41,;33.47,-29.18,;33.47,-30.72,;34.8,-31.49,;34.8,-33.03,;33.47,-33.8,;36.14,-33.8,;33.47,-26.1,;33.47,-24.56,;34.8,-26.87,;36.14,-26.1,;36.14,-24.56,;37.47,-23.79,;38.81,-24.56,;40.15,-23.79,;40.15,-22.24,;41.48,-21.47,;38.81,-21.47,;37.47,-22.24,;37.47,-26.87,;37.47,-28.41,;38.8,-26.1,;40.14,-26.87,;40.14,-28.41,;41.47,-29.18,;41.47,-30.72,;42.81,-31.49,;42.81,-33.03,;41.47,-33.8,;44.14,-33.8,;41.47,-26.1,;41.47,-24.56,;42.81,-26.87,;44.14,-26.1,;44.14,-24.56,;45.47,-23.79,;45.47,-22.25,;46.81,-21.48,;46.81,-19.94,;45.47,-26.87,;45.47,-28.41,;46.81,-26.1,;48.14,-26.87,;48.14,-28.41,;49.47,-29.18,;49.47,-30.72,;48.14,-31.49,;50.81,-31.49,;49.47,-26.1,;49.47,-24.56,;50.81,-26.87,;52.14,-26.1,;52.14,-24.56,;53.47,-23.79,;53.47,-22.25,;54.81,-21.48,;53.47,-26.87,;53.47,-28.41,;54.81,-26.1,;56.14,-26.87,;56.14,-28.41,;57.48,-26.1,;57.48,-24.56,;58.81,-26.87,;60.14,-26.1,;60.14,-24.56,;61.48,-23.79,;58.81,-23.79,;61.48,-26.87,;61.48,-28.41,;62.81,-26.1,;64.14,-26.87,;64.14,-28.41,;65.48,-29.18,;65.48,-30.72,;66.81,-31.49,;66.81,-33.03,;65.48,-26.1,;65.48,-24.56,;66.81,-26.87,;68.14,-26.1,;68.14,-24.56,;69.48,-23.79,;69.48,-22.25,;70.81,-21.48,;70.81,-19.94,;69.48,-26.87,;69.48,-28.41,;70.81,-26.1,;72.15,-26.87,;72.15,-28.41,;73.48,-29.18,;74.82,-28.41,;76.16,-29.18,;76.16,-30.72,;77.49,-31.49,;74.82,-31.5,;73.48,-30.72,;73.48,-26.1,;73.48,-24.56,;74.81,-26.87,;76.15,-26.1,;76.15,-24.56,;77.48,-23.79,;77.48,-22.25,;78.81,-24.56,;77.48,-26.87,;77.48,-28.41,;78.81,-26.1,;80.15,-26.87,;80.15,-28.41,;81.48,-26.1,;81.48,-24.56,;82.81,-26.87,;84.15,-26.1,;84.15,-24.56,;85.48,-26.87,;85.48,-28.41,;86.82,-26.1,;88.15,-26.87,;88.15,-28.41,;89.48,-29.18,;86.82,-29.18,;89.48,-26.1,;89.48,-24.56,;90.82,-26.87,;92.15,-26.1,;92.15,-24.56,;93.48,-23.79,;93.48,-22.25,;94.82,-24.56,;93.48,-26.87,;94.82,-26.1,;93.48,-28.41,)|
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
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 7.30n/an/an/an/an/an/a



Institut National de la Recherche Scientifique

Curated by ChEMBL


Assay Description
Displacement of [125I]Ac-PACAP27 from human recombinant PAC1 receptor expressed in CHO cells by gamma- counter


J Med Chem 52: 3308-16 (2009)


Article DOI: 10.1021/jm900291j
BindingDB Entry DOI: 10.7270/Q29023PC
More data for this
Ligand-Target Pair
Pituitary adenylate cyclase-activating polypeptide type I receptor


(Homo sapiens (Human))
BDBM50250061
PNG
(CHEMBL498948 | [His(1-Me)1]PACAP38)
Show SMILES [#6]-[#6]-[#6@H](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#8])-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-c1cncn1-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6@@H](-[#6])-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#8])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccc(-[#8])cc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccc(-[#8])cc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#16]-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccc(-[#8])cc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccc(-[#8])cc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](-[#7])=O |r|
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
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 7.5n/an/an/an/an/an/a



Institut National de la Recherche Scientifique

Curated by ChEMBL


Assay Description
Displacement of [125I]Ac-PACAP27 from human recombinant PAC1 receptor expressed in CHO cells by gamma- counter


J Med Chem 52: 3308-16 (2009)


Article DOI: 10.1021/jm900291j
BindingDB Entry DOI: 10.7270/Q29023PC
More data for this
Ligand-Target Pair
Pituitary adenylate cyclase-activating polypeptide type I receptor


(Homo sapiens (Human))
BDBM50250078
PNG
(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 |r,wU:20.19,12.16,4.4,49.51,50.54,64.66,82.85,99.102,122.126,140.144,153.157,169.173,190.195,203.209,215.220,wD:2.2,38.39,56.58,70.72,88.91,111.115,131.135,148.153,160.164,178.182,198.204,208.213,27.28,(.78,-21.73,;.78,-23.27,;2.12,-24.04,;3.45,-23.27,;2.12,-25.58,;.78,-26.35,;-.55,-25.58,;-.55,-24.04,;-1.89,-26.35,;-3.22,-25.58,;-4.55,-26.35,;-4.55,-27.89,;-5.89,-25.58,;-5.89,-24.04,;-4.55,-23.27,;-3.22,-24.04,;-4.55,-21.73,;-7.22,-26.35,;-8.55,-25.58,;-8.55,-24.04,;-10.04,-25.99,;-11.25,-25.03,;-12.54,-25.88,;-12.13,-27.36,;-10.59,-27.43,;-9.74,-28.72,;-8.21,-28.63,;-10.44,-30.09,;-11.97,-30.18,;-9.59,-31.38,;-10.28,-32.76,;-9.58,-34.13,;-10.66,-35.23,;-12.04,-34.54,;-11.8,-33.02,;3.45,-26.35,;3.45,-27.89,;4.78,-25.58,;6.12,-26.35,;6.12,-27.89,;7.45,-28.66,;8.79,-27.89,;10.13,-28.66,;10.13,-30.2,;8.79,-30.98,;7.45,-30.2,;7.45,-25.58,;7.45,-24.04,;8.78,-26.35,;10.12,-25.58,;10.12,-24.04,;8.78,-23.27,;11.45,-23.27,;11.45,-26.35,;11.45,-27.89,;12.78,-25.58,;14.12,-26.35,;14.12,-27.89,;15.45,-28.66,;16.79,-27.89,;15.45,-30.2,;15.45,-25.58,;15.45,-24.04,;16.79,-26.35,;18.12,-25.58,;18.12,-24.04,;19.45,-23.27,;19.45,-26.35,;19.45,-27.89,;20.79,-25.58,;22.12,-26.35,;22.12,-27.89,;23.45,-28.66,;24.79,-27.89,;26.13,-28.66,;26.13,-30.2,;27.46,-30.97,;24.79,-30.98,;23.45,-30.2,;23.45,-25.58,;23.45,-24.04,;24.79,-26.35,;26.12,-25.58,;26.12,-24.04,;27.46,-23.27,;27.46,-26.35,;27.46,-27.89,;28.79,-25.58,;30.12,-26.35,;30.12,-27.89,;31.46,-28.66,;31.46,-30.2,;32.79,-30.97,;32.79,-32.51,;31.46,-33.28,;34.12,-33.28,;31.46,-25.58,;31.46,-24.04,;32.79,-26.35,;34.12,-25.58,;34.12,-24.04,;35.46,-23.27,;36.8,-24.04,;38.13,-23.27,;38.13,-21.72,;39.47,-20.95,;36.8,-20.95,;35.46,-21.72,;35.46,-26.35,;35.46,-27.89,;36.79,-25.58,;38.12,-26.35,;38.12,-27.89,;39.46,-28.66,;39.46,-30.2,;40.79,-30.97,;40.79,-32.51,;39.46,-33.28,;42.13,-33.28,;39.46,-25.58,;39.46,-24.04,;40.79,-26.35,;42.13,-25.58,;42.13,-24.04,;43.46,-23.27,;43.46,-21.73,;44.79,-20.96,;44.79,-19.42,;43.46,-26.35,;43.46,-27.89,;44.79,-25.58,;46.13,-26.35,;46.13,-27.89,;47.46,-28.66,;47.46,-30.2,;46.13,-30.97,;48.79,-30.97,;47.46,-25.58,;47.46,-24.04,;48.79,-26.35,;50.13,-25.58,;50.13,-24.04,;51.46,-23.27,;51.46,-21.73,;52.8,-20.96,;51.46,-26.35,;51.46,-27.89,;52.8,-25.58,;54.13,-26.35,;54.13,-27.89,;55.46,-25.58,;55.46,-24.04,;56.8,-26.35,;58.13,-25.58,;58.13,-24.04,;59.46,-23.27,;56.8,-23.27,;59.46,-26.35,;59.46,-27.89,;60.8,-25.58,;62.13,-26.35,;62.13,-27.89,;63.46,-28.66,;63.46,-30.2,;64.8,-30.97,;64.8,-32.51,;63.46,-25.58,;63.46,-24.04,;64.8,-26.35,;66.13,-25.58,;66.13,-24.04,;67.47,-23.27,;67.47,-21.73,;68.8,-20.96,;68.8,-19.42,;67.47,-26.35,;67.47,-27.89,;68.8,-25.58,;70.13,-26.35,;70.13,-27.89,;71.47,-28.66,;72.81,-27.89,;74.14,-28.66,;74.14,-30.2,;75.48,-30.97,;72.81,-30.98,;71.47,-30.2,;71.47,-25.58,;71.47,-24.04,;72.8,-26.35,;74.13,-25.58,;74.13,-24.04,;75.47,-23.27,;75.47,-21.73,;76.8,-24.04,;75.47,-26.35,;75.47,-27.89,;76.8,-25.58,;78.14,-26.35,;78.14,-27.89,;79.47,-25.58,;79.47,-24.04,;80.8,-26.35,;82.14,-25.58,;82.14,-24.04,;83.47,-26.35,;83.47,-27.89,;84.8,-25.58,;86.14,-26.35,;86.14,-27.89,;87.47,-28.66,;84.8,-28.66,;87.47,-25.58,;87.47,-24.04,;88.8,-26.35,;90.14,-25.58,;90.14,-24.04,;91.47,-23.27,;91.47,-21.73,;92.81,-24.04,;91.47,-26.35,;92.81,-25.58,;91.47,-27.89,)|
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
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 7.80n/an/an/an/an/an/a



Institut National de la Recherche Scientifique

Curated by ChEMBL


Assay Description
Displacement of [125I]Ac-PACAP27 from human recombinant PAC1 receptor expressed in CHO cells by gamma- counter


J Med Chem 52: 3308-16 (2009)


Article DOI: 10.1021/jm900291j
BindingDB Entry DOI: 10.7270/Q29023PC
More data for this
Ligand-Target Pair
Pituitary adenylate cyclase-activating polypeptide type I receptor


(Homo sapiens (Human))
BDBM50250023
PNG
(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 |r|
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
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 7.90n/an/an/an/an/an/a



Institut National de la Recherche Scientifique

Curated by ChEMBL


Assay Description
Displacement of [125I]Ac-PACAP27 from human recombinant PAC1 receptor expressed in CHO cells by gamma- counter


J Med Chem 52: 3308-16 (2009)


Article DOI: 10.1021/jm900291j
BindingDB Entry DOI: 10.7270/Q29023PC
More data for this
Ligand-Target Pair
Pituitary adenylate cyclase-activating polypeptide type I receptor


(Homo sapiens (Human))
BDBM50250072
PNG
(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 |r,wU:26.26,12.16,4.4,49.50,50.53,64.65,82.84,99.101,122.125,140.143,153.156,169.172,190.194,203.208,215.219,wD:20.22,2.2,37.37,56.57,70.71,88.90,111.114,131.134,148.152,160.163,178.181,198.203,208.212,(2.88,-21.44,;2.88,-22.98,;4.22,-23.75,;5.55,-22.98,;4.22,-25.29,;2.88,-26.06,;1.55,-25.29,;1.55,-23.75,;.21,-26.06,;-1.12,-25.29,;-2.45,-26.06,;-2.45,-27.6,;-3.79,-25.29,;-3.79,-23.75,;-2.45,-22.98,;-1.12,-23.75,;-2.45,-21.44,;-5.12,-26.06,;-6.45,-25.29,;-6.45,-23.75,;-7.79,-26.06,;-7.79,-27.6,;-6.45,-28.37,;-9.12,-25.29,;-10.46,-26.06,;-10.46,-27.6,;-11.79,-25.29,;-13.12,-26.06,;-11.79,-23.75,;-10.46,-22.98,;-9.04,-23.61,;-8.01,-22.46,;-8.78,-21.13,;-10.29,-21.45,;5.55,-26.06,;5.55,-27.6,;6.88,-25.29,;8.22,-26.06,;8.22,-27.6,;9.55,-28.37,;10.89,-27.6,;12.23,-28.37,;12.23,-29.92,;13.56,-30.69,;10.89,-30.69,;9.55,-29.92,;9.55,-25.29,;9.55,-23.75,;10.88,-26.06,;12.22,-25.29,;12.22,-23.75,;10.88,-22.98,;13.55,-22.98,;13.55,-26.06,;13.55,-27.6,;14.88,-25.29,;16.22,-26.06,;16.22,-27.6,;17.55,-28.37,;18.89,-27.6,;17.55,-29.91,;17.55,-25.29,;17.55,-23.75,;18.89,-26.06,;20.22,-25.29,;20.22,-23.75,;21.55,-22.98,;21.55,-26.06,;21.55,-27.6,;22.89,-25.29,;24.22,-26.06,;24.22,-27.6,;25.55,-28.37,;26.89,-27.6,;28.23,-28.37,;28.23,-29.92,;29.56,-30.69,;26.89,-30.69,;25.55,-29.92,;25.55,-25.29,;25.55,-23.75,;26.89,-26.06,;28.22,-25.29,;28.22,-23.75,;29.55,-22.98,;29.55,-26.06,;29.55,-27.6,;30.89,-25.29,;32.22,-26.06,;32.22,-27.6,;33.56,-28.37,;33.56,-29.91,;34.89,-30.68,;34.89,-32.22,;33.56,-32.99,;36.22,-32.99,;33.56,-25.29,;33.56,-23.75,;34.89,-26.06,;36.22,-25.29,;36.22,-23.75,;37.56,-22.98,;38.89,-23.76,;40.23,-22.98,;40.23,-21.44,;41.57,-20.67,;38.89,-20.67,;37.56,-21.44,;37.56,-26.06,;37.56,-27.6,;38.89,-25.29,;40.22,-26.06,;40.22,-27.6,;41.56,-28.37,;41.56,-29.91,;42.89,-30.68,;42.89,-32.22,;41.56,-32.99,;44.22,-32.99,;41.56,-25.29,;41.56,-23.75,;42.89,-26.06,;44.22,-25.29,;44.22,-23.75,;45.56,-22.98,;45.56,-21.44,;46.89,-20.67,;46.89,-19.13,;45.56,-26.06,;45.56,-27.6,;46.89,-25.29,;48.23,-26.06,;48.23,-27.6,;49.56,-28.37,;49.56,-29.91,;48.23,-30.68,;50.89,-30.68,;49.56,-25.29,;49.56,-23.75,;50.89,-26.06,;52.23,-25.29,;52.23,-23.75,;53.56,-22.98,;53.56,-21.44,;54.89,-20.67,;53.56,-26.06,;53.56,-27.6,;54.89,-25.29,;56.23,-26.06,;56.23,-27.6,;57.56,-25.29,;57.56,-23.75,;58.89,-26.06,;60.23,-25.29,;60.23,-23.75,;61.56,-22.98,;58.89,-22.98,;61.56,-26.06,;61.56,-27.6,;62.9,-25.29,;64.23,-26.06,;64.23,-27.6,;65.56,-28.37,;65.56,-29.91,;66.9,-30.68,;66.9,-32.22,;65.56,-25.29,;65.56,-23.75,;66.9,-26.06,;68.23,-25.29,;68.23,-23.75,;69.56,-22.98,;69.56,-21.44,;70.9,-20.67,;70.9,-19.13,;69.56,-26.06,;69.56,-27.6,;70.9,-25.29,;72.23,-26.06,;72.23,-27.6,;73.57,-28.37,;74.9,-27.6,;76.24,-28.37,;76.24,-29.92,;77.58,-30.69,;74.9,-30.69,;73.57,-29.92,;73.57,-25.29,;73.57,-23.75,;74.9,-26.06,;76.23,-25.29,;76.23,-23.75,;77.57,-22.98,;77.57,-21.44,;78.9,-23.75,;77.57,-26.06,;77.57,-27.6,;78.9,-25.29,;80.23,-26.06,;80.23,-27.6,;81.57,-25.29,;81.57,-23.75,;82.9,-26.06,;84.23,-25.29,;84.23,-23.75,;85.57,-26.06,;85.57,-27.6,;86.9,-25.29,;88.24,-26.06,;88.24,-27.6,;89.57,-28.37,;86.9,-28.37,;89.57,-25.29,;89.57,-23.75,;90.9,-26.06,;92.24,-25.29,;92.24,-23.75,;93.57,-22.98,;93.57,-21.44,;94.9,-23.75,;93.57,-26.06,;94.9,-25.29,;93.57,-27.6,)|
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
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 7.90n/an/an/an/an/an/a



Institut National de la Recherche Scientifique

Curated by ChEMBL


Assay Description
Displacement of [125I]Ac-PACAP27 from human recombinant PAC1 receptor expressed in CHO cells by gamma- counter


J Med Chem 52: 3308-16 (2009)


Article DOI: 10.1021/jm900291j
BindingDB Entry DOI: 10.7270/Q29023PC
More data for this
Ligand-Target Pair
Pituitary adenylate cyclase-activating polypeptide type I receptor


(Homo sapiens (Human))
BDBM50250058
PNG
(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 |r,wU:26.33,12.16,4.4,51.52,52.55,66.67,84.86,101.103,124.127,142.145,155.158,171.174,192.196,205.210,217.221,wD:20.22,2.2,40.40,58.59,72.73,90.92,113.116,133.136,150.154,162.165,180.183,200.205,210.214,(4.87,-49.9,;4.87,-51.44,;6.2,-52.21,;7.53,-51.44,;6.2,-53.75,;4.87,-54.52,;3.53,-53.75,;3.53,-52.21,;2.2,-54.52,;.87,-53.75,;-.47,-54.52,;-.47,-56.06,;-1.8,-53.75,;-1.8,-52.21,;-.47,-51.44,;.87,-52.21,;-.47,-49.9,;-3.14,-54.52,;-4.47,-53.75,;-4.47,-52.21,;-5.8,-54.52,;-5.8,-56.06,;-4.47,-56.83,;-7.14,-53.75,;-8.47,-54.52,;-8.47,-56.06,;-9.8,-53.75,;-9.8,-52.21,;-8.47,-51.44,;-7.06,-52.07,;-6.02,-50.92,;-6.8,-49.59,;-8.31,-49.91,;-11.14,-54.52,;-12.47,-53.75,;-12.47,-52.21,;-13.8,-54.52,;7.53,-54.52,;7.53,-56.06,;8.87,-53.75,;10.2,-54.52,;10.2,-56.06,;11.54,-56.83,;12.87,-56.06,;14.21,-56.83,;14.21,-58.38,;12.87,-59.15,;11.54,-58.38,;11.54,-53.75,;11.54,-52.21,;12.87,-54.52,;14.2,-53.75,;14.2,-52.21,;12.87,-51.44,;15.54,-51.44,;15.54,-54.52,;15.54,-56.06,;16.87,-53.75,;18.2,-54.52,;18.2,-56.06,;19.54,-56.83,;20.87,-56.06,;19.54,-58.37,;19.54,-53.75,;19.54,-52.21,;20.87,-54.52,;22.2,-53.75,;22.2,-52.21,;23.54,-51.44,;23.54,-54.52,;23.54,-56.06,;24.87,-53.75,;26.21,-54.52,;26.21,-56.06,;27.54,-56.83,;28.88,-56.06,;30.22,-56.83,;30.22,-58.38,;31.55,-59.15,;28.88,-59.15,;27.54,-58.38,;27.54,-53.75,;27.54,-52.21,;28.87,-54.52,;30.21,-53.75,;30.21,-52.21,;31.54,-51.44,;31.54,-54.52,;31.54,-56.06,;32.87,-53.75,;34.21,-54.52,;34.21,-56.06,;35.54,-56.83,;35.54,-58.37,;36.87,-59.14,;36.87,-60.68,;35.54,-61.45,;38.21,-61.45,;35.54,-53.75,;35.54,-52.21,;36.87,-54.52,;38.21,-53.75,;38.21,-52.21,;39.54,-51.44,;40.88,-52.22,;42.22,-51.44,;42.22,-49.9,;43.55,-49.13,;40.88,-49.13,;39.54,-49.9,;39.54,-54.52,;39.54,-56.06,;40.88,-53.75,;42.21,-54.52,;42.21,-56.06,;43.54,-56.83,;43.54,-58.37,;44.88,-59.14,;44.88,-60.68,;43.54,-61.45,;46.21,-61.45,;43.54,-53.75,;43.54,-52.21,;44.88,-54.52,;46.21,-53.75,;46.21,-52.21,;47.54,-51.44,;47.54,-49.9,;48.88,-49.13,;48.88,-47.59,;47.54,-54.52,;47.54,-56.06,;48.88,-53.75,;50.21,-54.52,;50.21,-56.06,;51.54,-56.83,;51.54,-58.37,;50.21,-59.14,;52.88,-59.14,;51.54,-53.75,;51.54,-52.21,;52.88,-54.52,;54.21,-53.75,;54.21,-52.21,;55.55,-51.44,;55.55,-49.9,;56.88,-49.13,;55.55,-54.52,;55.55,-56.06,;56.88,-53.75,;58.21,-54.52,;58.21,-56.06,;59.55,-53.75,;59.55,-52.21,;60.88,-54.52,;62.21,-53.75,;62.21,-52.21,;63.55,-51.44,;60.88,-51.44,;63.55,-54.52,;63.55,-56.06,;64.88,-53.75,;66.21,-54.52,;66.21,-56.06,;67.55,-56.83,;67.55,-58.37,;68.88,-59.14,;68.88,-60.68,;67.55,-53.75,;67.55,-52.21,;68.88,-54.52,;70.22,-53.75,;70.22,-52.21,;71.55,-51.44,;71.55,-49.9,;72.88,-49.13,;72.88,-47.59,;71.55,-54.52,;71.55,-56.06,;72.88,-53.75,;74.22,-54.52,;74.22,-56.06,;75.55,-56.83,;76.89,-56.06,;78.23,-56.83,;78.23,-58.38,;79.56,-59.15,;76.89,-59.15,;75.55,-58.38,;75.55,-53.75,;75.55,-52.21,;76.88,-54.52,;78.22,-53.75,;78.22,-52.21,;79.55,-51.44,;79.55,-49.9,;80.88,-52.21,;79.55,-54.52,;79.55,-56.06,;80.88,-53.75,;82.22,-54.52,;82.22,-56.06,;83.55,-53.75,;83.55,-52.21,;84.89,-54.52,;86.22,-53.75,;86.22,-52.21,;87.55,-54.52,;87.55,-56.06,;88.89,-53.75,;90.22,-54.52,;90.22,-56.06,;91.55,-56.83,;88.89,-56.83,;91.55,-53.75,;91.55,-52.21,;92.89,-54.52,;94.22,-53.75,;94.22,-52.21,;95.56,-51.44,;95.56,-49.9,;96.89,-52.21,;95.56,-54.52,;96.89,-53.75,;95.56,-56.06,)|
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
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 8.20n/an/an/an/an/an/a



Institut National de la Recherche Scientifique

Curated by ChEMBL


Assay Description
Displacement of [125I]Ac-PACAP27 from human recombinant PAC1 receptor expressed in CHO cells by gamma- counter


J Med Chem 52: 3308-16 (2009)


Article DOI: 10.1021/jm900291j
BindingDB Entry DOI: 10.7270/Q29023PC
More data for this
Ligand-Target Pair
Pituitary adenylate cyclase-activating polypeptide type I receptor


(Homo sapiens (Human))
BDBM50250018
PNG
(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 |r,wU:26.26,12.16,4.4,48.49,49.52,63.64,81.83,98.100,121.124,139.142,152.155,168.171,189.193,202.207,214.218,wD:20.22,2.2,37.37,55.56,69.70,87.89,110.113,130.133,147.151,159.162,177.180,197.202,207.211,(2.22,-11.33,;2.22,-12.87,;3.55,-13.64,;4.88,-12.87,;3.55,-15.18,;2.22,-15.95,;.88,-15.18,;.88,-13.64,;-.45,-15.95,;-1.79,-15.18,;-3.12,-15.95,;-3.12,-17.49,;-4.45,-15.18,;-4.45,-13.64,;-3.12,-12.87,;-1.79,-13.64,;-3.12,-11.33,;-5.79,-15.95,;-7.12,-15.18,;-7.12,-13.64,;-8.45,-15.95,;-8.45,-17.49,;-7.12,-18.26,;-9.79,-15.18,;-11.12,-15.95,;-11.12,-17.49,;-12.45,-15.18,;-13.79,-15.95,;-12.45,-13.64,;-11.12,-12.87,;-9.71,-13.5,;-8.68,-12.35,;-9.45,-11.01,;-10.96,-11.33,;4.88,-15.95,;4.88,-17.49,;6.22,-15.18,;7.55,-15.95,;7.55,-17.49,;8.88,-18.26,;10.22,-17.49,;11.56,-18.26,;11.56,-19.8,;10.22,-20.58,;8.88,-19.8,;8.88,-15.18,;8.88,-13.64,;10.22,-15.95,;11.55,-15.18,;11.55,-13.64,;10.22,-12.87,;12.89,-12.87,;12.89,-15.95,;12.89,-17.49,;14.22,-15.18,;15.55,-15.95,;15.55,-17.49,;16.89,-18.26,;18.22,-17.49,;16.89,-19.8,;16.89,-15.18,;16.89,-13.64,;18.22,-15.95,;19.55,-15.18,;19.55,-13.64,;20.89,-12.87,;20.89,-15.95,;20.89,-17.49,;22.22,-15.18,;23.55,-15.95,;23.55,-17.49,;24.89,-18.26,;26.23,-17.49,;27.57,-18.26,;27.57,-19.8,;28.9,-20.57,;26.23,-20.58,;24.89,-19.8,;24.89,-15.18,;24.89,-13.64,;26.22,-15.95,;27.56,-15.18,;27.56,-13.64,;28.89,-12.87,;28.89,-15.95,;28.89,-17.49,;30.22,-15.18,;31.56,-15.95,;31.56,-17.49,;32.89,-18.26,;32.89,-19.8,;34.22,-20.57,;34.22,-22.11,;32.89,-22.88,;35.56,-22.88,;32.89,-15.18,;32.89,-13.64,;34.22,-15.95,;35.56,-15.18,;35.56,-13.64,;36.89,-12.87,;38.23,-13.64,;39.57,-12.87,;39.57,-11.32,;40.9,-10.55,;38.23,-10.55,;36.89,-11.32,;36.89,-15.95,;36.89,-17.49,;38.23,-15.18,;39.56,-15.95,;39.56,-17.49,;40.89,-18.26,;40.89,-19.8,;42.23,-20.57,;42.23,-22.11,;40.89,-22.88,;43.56,-22.88,;40.89,-15.18,;40.89,-13.64,;42.23,-15.95,;43.56,-15.18,;43.56,-13.64,;44.89,-12.87,;44.89,-11.33,;46.23,-10.56,;46.23,-9.02,;44.89,-15.95,;44.89,-17.49,;46.23,-15.18,;47.56,-15.95,;47.56,-17.49,;48.89,-18.26,;48.89,-19.8,;47.56,-20.57,;50.23,-20.57,;48.89,-15.18,;48.89,-13.64,;50.23,-15.95,;51.56,-15.18,;51.56,-13.64,;52.9,-12.87,;52.9,-11.33,;54.23,-10.56,;52.9,-15.95,;52.9,-17.49,;54.23,-15.18,;55.56,-15.95,;55.56,-17.49,;56.9,-15.18,;56.9,-13.64,;58.23,-15.95,;59.56,-15.18,;59.56,-13.64,;60.9,-12.87,;58.23,-12.87,;60.9,-15.95,;60.9,-17.49,;62.23,-15.18,;63.57,-15.95,;63.57,-17.49,;64.9,-18.26,;64.9,-19.8,;66.23,-20.57,;66.23,-22.11,;64.9,-15.18,;64.9,-13.64,;66.23,-15.95,;67.57,-15.18,;67.57,-13.64,;68.9,-12.87,;68.9,-11.33,;70.23,-10.56,;70.23,-9.02,;68.9,-15.95,;68.9,-17.49,;70.23,-15.18,;71.57,-15.95,;71.57,-17.49,;72.9,-18.26,;74.24,-17.49,;75.58,-18.26,;75.58,-19.8,;76.91,-20.57,;74.24,-20.58,;72.9,-19.8,;72.9,-15.18,;72.9,-13.64,;74.23,-15.95,;75.57,-15.18,;75.57,-13.64,;76.9,-12.87,;76.9,-11.33,;78.24,-13.64,;76.9,-15.95,;76.9,-17.49,;78.24,-15.18,;79.57,-15.95,;79.57,-17.49,;80.9,-15.18,;80.9,-13.64,;82.24,-15.95,;83.57,-15.18,;83.57,-13.64,;84.9,-15.95,;84.9,-17.49,;86.24,-15.18,;87.57,-15.95,;87.57,-17.49,;88.91,-18.26,;86.24,-18.26,;88.91,-15.18,;88.91,-13.64,;90.24,-15.95,;91.57,-15.18,;91.57,-13.64,;92.91,-12.87,;92.91,-11.33,;94.24,-13.64,;92.91,-15.95,;94.24,-15.18,;92.91,-17.49,)|
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
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 8.30n/an/an/an/an/an/a



Institut National de la Recherche Scientifique

Curated by ChEMBL


Assay Description
Displacement of [125I]Ac-PACAP27 from human recombinant PAC1 receptor expressed in CHO cells by gamma- counter


J Med Chem 52: 3308-16 (2009)


Article DOI: 10.1021/jm900291j
BindingDB Entry DOI: 10.7270/Q29023PC
More data for this
Ligand-Target Pair
Pituitary adenylate cyclase-activating polypeptide type I receptor


(Homo sapiens (Human))
BDBM50250080
PNG
(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 |r,wU:20.19,12.16,4.4,50.52,51.55,65.67,83.86,100.103,123.127,141.145,154.158,170.174,191.196,204.210,216.221,wD:2.2,39.40,57.59,71.73,89.92,112.116,132.136,149.154,161.165,179.183,199.205,209.214,22.22,28.29,(.66,6.05,;.66,4.51,;1.99,3.74,;3.32,4.51,;1.99,2.2,;.66,1.43,;-.68,2.2,;-.68,3.74,;-2.01,1.43,;-3.35,2.2,;-4.68,1.43,;-4.68,-.11,;-6.01,2.2,;-6.01,3.74,;-4.68,4.51,;-3.35,3.74,;-4.68,6.05,;-7.35,1.43,;-8.68,2.2,;-8.68,3.74,;-10.01,1.43,;-11.43,2.06,;-12.46,.91,;-13.99,1.07,;-11.69,-.42,;-10.18,-.1,;-9.04,-1.13,;-7.58,-.66,;-9.36,-2.64,;-10.83,-3.11,;-8.22,-3.67,;-8.55,-5.18,;-9.96,-5.81,;-9.8,-7.34,;-8.3,-7.67,;-7.53,-6.33,;3.32,1.43,;3.32,-.11,;4.66,2.2,;5.99,1.43,;5.99,-.11,;7.32,-.88,;8.66,-.1,;10,-.88,;10,-2.42,;8.66,-3.19,;7.32,-2.42,;7.32,2.2,;7.32,3.74,;8.66,1.43,;9.99,2.2,;9.99,3.74,;8.66,4.51,;11.32,4.51,;11.32,1.43,;11.32,-.11,;12.66,2.2,;13.99,1.43,;13.99,-.11,;15.33,-.88,;16.66,-.11,;15.33,-2.42,;15.33,2.2,;15.33,3.74,;16.66,1.43,;17.99,2.2,;17.99,3.74,;19.33,4.51,;19.33,1.43,;19.33,-.11,;20.66,2.2,;21.99,1.43,;21.99,-.11,;23.33,-.88,;24.67,-.1,;26,-.88,;26,-2.42,;27.34,-3.19,;24.67,-3.19,;23.33,-2.42,;23.33,2.2,;23.33,3.74,;24.66,1.43,;26,2.2,;26,3.74,;27.33,4.51,;27.33,1.43,;27.33,-.11,;28.66,2.2,;30,1.43,;30,-.11,;31.33,-.88,;31.33,-2.42,;32.66,-3.19,;32.66,-4.73,;31.33,-5.5,;34,-5.5,;31.33,2.2,;31.33,3.74,;32.66,1.43,;34,2.2,;34,3.74,;35.33,4.51,;36.67,3.74,;38.01,4.51,;38.01,6.06,;39.34,6.83,;36.67,6.83,;35.33,6.06,;35.33,1.43,;35.33,-.11,;36.66,2.2,;38,1.43,;38,-.11,;39.33,-.88,;39.33,-2.42,;40.67,-3.19,;40.67,-4.73,;39.33,-5.5,;42,-5.5,;39.33,2.2,;39.33,3.74,;40.67,1.43,;42,2.2,;42,3.74,;43.33,4.51,;43.33,6.05,;44.67,6.82,;44.67,8.36,;43.33,1.43,;43.33,-.11,;44.67,2.2,;46,1.43,;46,-.11,;47.33,-.88,;47.33,-2.42,;46,-3.19,;48.67,-3.19,;47.33,2.2,;47.33,3.74,;48.67,1.43,;50,2.2,;50,3.74,;51.34,4.51,;51.34,6.05,;52.67,6.82,;51.34,1.43,;51.34,-.11,;52.67,2.2,;54,1.43,;54,-.11,;55.34,2.2,;55.34,3.74,;56.67,1.43,;58,2.2,;58,3.74,;59.34,4.51,;56.67,4.51,;59.34,1.43,;59.34,-.11,;60.67,2.2,;62,1.43,;62,-.11,;63.34,-.88,;63.34,-2.42,;64.67,-3.19,;64.67,-4.73,;63.34,2.2,;63.34,3.74,;64.67,1.43,;66.01,2.2,;66.01,3.74,;67.34,4.51,;67.34,6.05,;68.67,6.82,;68.67,8.36,;67.34,1.43,;67.34,-.11,;68.67,2.2,;70.01,1.43,;70.01,-.11,;71.34,-.88,;72.68,-.1,;74.02,-.88,;74.02,-2.42,;75.35,-3.19,;72.68,-3.19,;71.34,-2.42,;71.34,2.2,;71.34,3.74,;72.67,1.43,;74.01,2.2,;74.01,3.74,;75.34,4.51,;75.34,6.05,;76.67,3.74,;75.34,1.43,;75.34,-.11,;76.67,2.2,;78.01,1.43,;78.01,-.11,;79.34,2.2,;79.34,3.74,;80.68,1.43,;82.01,2.2,;82.01,3.74,;83.34,1.43,;83.34,-.11,;84.68,2.2,;86.01,1.43,;86.01,-.11,;87.34,-.88,;84.68,-.88,;87.34,2.2,;87.34,3.74,;88.68,1.43,;90.01,2.2,;90.01,3.74,;91.35,4.51,;91.35,6.05,;92.68,3.74,;91.35,1.43,;92.68,2.2,;91.35,-.11,)|
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
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 8.5n/an/an/an/an/an/a



Institut National de la Recherche Scientifique

Curated by ChEMBL


Assay Description
Displacement of [125I]Ac-PACAP27 from human recombinant PAC1 receptor expressed in CHO cells by gamma- counter


J Med Chem 52: 3308-16 (2009)


Article DOI: 10.1021/jm900291j
BindingDB Entry DOI: 10.7270/Q29023PC
More data for this
Ligand-Target Pair
Pituitary adenylate cyclase-activating polypeptide type I receptor


(Homo sapiens (Human))
BDBM50250079
PNG
(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 |r|
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
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 8.5n/an/an/an/an/an/a



Institut National de la Recherche Scientifique

Curated by ChEMBL


Assay Description
Displacement of [125I]Ac-PACAP27 from human recombinant PAC1 receptor expressed in CHO cells by gamma- counter


J Med Chem 52: 3308-16 (2009)


Article DOI: 10.1021/jm900291j
BindingDB Entry DOI: 10.7270/Q29023PC
More data for this
Ligand-Target Pair
Pituitary adenylate cyclase-activating polypeptide type I receptor


(Homo sapiens (Human))
BDBM50250081
PNG
(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 |r|
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
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 8.60n/an/an/an/an/an/a



Institut National de la Recherche Scientifique

Curated by ChEMBL


Assay Description
Displacement of [125I]Ac-PACAP27 from human recombinant PAC1 receptor expressed in CHO cells by gamma- counter


J Med Chem 52: 3308-16 (2009)


Article DOI: 10.1021/jm900291j
BindingDB Entry DOI: 10.7270/Q29023PC
More data for this
Ligand-Target Pair
Pituitary adenylate cyclase-activating polypeptide type I receptor


(Homo sapiens (Human))
BDBM50250047
PNG
(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 |r|
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
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 9.10n/an/an/an/an/an/a



Institut National de la Recherche Scientifique

Curated by ChEMBL


Assay Description
Displacement of [125I]Ac-PACAP27 from human recombinant PAC1 receptor expressed in CHO cells by gamma- counter


J Med Chem 52: 3308-16 (2009)


Article DOI: 10.1021/jm900291j
BindingDB Entry DOI: 10.7270/Q29023PC
More data for this
Ligand-Target Pair
Pituitary adenylate cyclase-activating polypeptide type I receptor


(Homo sapiens (Human))
BDBM50250026
PNG
(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 |r,wU:27.27,13.17,4.4,49.50,50.53,64.65,82.84,99.101,122.125,140.143,153.156,169.172,190.194,203.208,215.219,wD:21.23,2.2,38.38,56.57,70.71,88.90,111.114,131.134,148.152,160.163,178.181,198.203,208.212,8.8,(2.3,.71,;2.3,-.83,;3.64,-1.6,;4.97,-.83,;3.64,-3.14,;2.3,-3.91,;.97,-3.14,;.97,-1.6,;-.37,-3.91,;-.37,-5.45,;-1.7,-3.14,;-3.03,-3.91,;-3.03,-5.45,;-4.37,-3.14,;-4.37,-1.6,;-3.03,-.83,;-1.7,-1.6,;-3.03,.71,;-5.7,-3.91,;-7.03,-3.14,;-7.03,-1.6,;-8.37,-3.91,;-8.37,-5.45,;-7.03,-6.22,;-9.7,-3.14,;-11.03,-3.91,;-11.03,-5.45,;-12.37,-3.14,;-13.7,-3.91,;-12.37,-1.6,;-11.03,-.83,;-9.62,-1.46,;-8.59,-.31,;-9.36,1.02,;-10.87,.7,;4.97,-3.91,;4.97,-5.45,;6.3,-3.14,;7.64,-3.91,;7.64,-5.45,;8.97,-6.22,;10.31,-5.45,;11.65,-6.22,;11.65,-7.77,;10.31,-8.54,;8.97,-7.77,;8.97,-3.14,;8.97,-1.6,;10.3,-3.91,;11.64,-3.14,;11.64,-1.6,;10.3,-.83,;12.97,-.83,;12.97,-3.91,;12.97,-5.45,;14.31,-3.14,;15.64,-3.91,;15.64,-5.45,;16.97,-6.22,;18.31,-5.45,;16.97,-7.76,;16.97,-3.14,;16.97,-1.6,;18.31,-3.91,;19.64,-3.14,;19.64,-1.6,;20.97,-.83,;20.97,-3.91,;20.97,-5.45,;22.31,-3.14,;23.64,-3.91,;23.64,-5.45,;24.97,-6.22,;26.31,-5.45,;27.65,-6.22,;27.65,-7.77,;28.98,-8.54,;26.31,-8.54,;24.97,-7.77,;24.97,-3.14,;24.97,-1.6,;26.31,-3.91,;27.64,-3.14,;27.64,-1.6,;28.98,-.83,;28.98,-3.91,;28.98,-5.45,;30.31,-3.14,;31.64,-3.91,;31.64,-5.45,;32.98,-6.22,;32.98,-7.76,;34.31,-8.53,;34.31,-10.07,;32.98,-10.84,;35.64,-10.84,;32.98,-3.14,;32.98,-1.6,;34.31,-3.91,;35.64,-3.14,;35.64,-1.6,;36.98,-.83,;38.32,-1.61,;39.65,-.83,;39.65,.71,;40.99,1.48,;38.32,1.48,;36.98,.71,;36.98,-3.91,;36.98,-5.45,;38.31,-3.14,;39.64,-3.91,;39.64,-5.45,;40.98,-6.22,;40.98,-7.76,;42.31,-8.53,;42.31,-10.07,;40.98,-10.84,;43.65,-10.84,;40.98,-3.14,;40.98,-1.6,;42.31,-3.91,;43.65,-3.14,;43.65,-1.6,;44.98,-.83,;44.98,.71,;46.31,1.48,;46.31,3.02,;44.98,-3.91,;44.98,-5.45,;46.31,-3.14,;47.65,-3.91,;47.65,-5.45,;48.98,-6.22,;48.98,-7.76,;47.65,-8.53,;50.31,-8.53,;48.98,-3.14,;48.98,-1.6,;50.31,-3.91,;51.65,-3.14,;51.65,-1.6,;52.98,-.83,;52.98,.71,;54.31,1.48,;52.98,-3.91,;52.98,-5.45,;54.31,-3.14,;55.65,-3.91,;55.65,-5.45,;56.98,-3.14,;56.98,-1.6,;58.32,-3.91,;59.65,-3.14,;59.65,-1.6,;60.98,-.83,;58.32,-.83,;60.98,-3.91,;60.98,-5.45,;62.32,-3.14,;63.65,-3.91,;63.65,-5.45,;64.98,-6.22,;64.98,-7.76,;66.32,-8.53,;66.32,-10.07,;64.98,-3.14,;64.98,-1.6,;66.32,-3.91,;67.65,-3.14,;67.65,-1.6,;68.98,-.83,;68.98,.71,;70.32,1.48,;70.32,3.02,;68.98,-3.91,;68.98,-5.45,;70.32,-3.14,;71.65,-3.91,;71.65,-5.45,;72.99,-6.22,;74.32,-5.45,;75.66,-6.22,;75.66,-7.77,;77,-8.54,;74.32,-8.54,;72.99,-7.77,;72.99,-3.14,;72.99,-1.6,;74.32,-3.91,;75.65,-3.14,;75.65,-1.6,;76.99,-.83,;76.99,.71,;78.32,-1.6,;76.99,-3.91,;76.99,-5.45,;78.32,-3.14,;79.65,-3.91,;79.65,-5.45,;80.99,-3.14,;80.99,-1.6,;82.32,-3.91,;83.66,-3.14,;83.66,-1.6,;84.99,-3.91,;84.99,-5.45,;86.32,-3.14,;87.66,-3.91,;87.66,-5.45,;88.99,-6.22,;86.32,-6.22,;88.99,-3.14,;88.99,-1.6,;90.32,-3.91,;91.66,-3.14,;91.66,-1.6,;92.99,-.83,;92.99,.71,;94.32,-1.6,;92.99,-3.91,;94.32,-3.14,;92.99,-5.45,)|
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
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 9.10n/an/an/an/an/an/a



Institut National de la Recherche Scientifique

Curated by ChEMBL


Assay Description
Displacement of [125I]Ac-PACAP27 from human recombinant PAC1 receptor expressed in CHO cells by gamma- counter


J Med Chem 52: 3308-16 (2009)


Article DOI: 10.1021/jm900291j
BindingDB Entry DOI: 10.7270/Q29023PC
More data for this
Ligand-Target Pair
Pituitary adenylate cyclase-activating polypeptide type I receptor


(Homo sapiens (Human))
BDBM50250087
PNG
(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 |r|
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
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 9.20n/an/an/an/an/an/a



Institut National de la Recherche Scientifique

Curated by ChEMBL


Assay Description
Displacement of [125I]Ac-PACAP27 from human recombinant PAC1 receptor expressed in CHO cells by gamma- counter


J Med Chem 52: 3308-16 (2009)


Article DOI: 10.1021/jm900291j
BindingDB Entry DOI: 10.7270/Q29023PC
More data for this
Ligand-Target Pair
Pituitary adenylate cyclase-activating polypeptide type I receptor


(Homo sapiens (Human))
BDBM50250065
PNG
(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 |r|
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
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 9.20n/an/an/an/an/an/a



Institut National de la Recherche Scientifique

Curated by ChEMBL


Assay Description
Displacement of [125I]Ac-PACAP27 from human recombinant PAC1 receptor expressed in CHO cells by gamma- counter


J Med Chem 52: 3308-16 (2009)


Article DOI: 10.1021/jm900291j
BindingDB Entry DOI: 10.7270/Q29023PC
More data for this
Ligand-Target Pair
Pituitary adenylate cyclase-activating polypeptide type I receptor


(Homo sapiens (Human))
BDBM50250046
PNG
(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 |r,wU:27.27,12.16,4.4,49.50,50.53,64.65,82.84,99.101,122.125,140.143,153.156,169.172,190.194,203.208,215.219,wD:20.22,2.2,38.38,56.57,70.71,88.90,111.114,131.134,148.152,160.163,178.181,198.203,208.212,(5.91,-52.45,;5.93,-53.99,;7.27,-54.74,;8.6,-53.96,;7.29,-56.28,;5.96,-57.07,;4.62,-56.31,;4.6,-54.77,;3.29,-57.09,;1.95,-56.34,;.63,-57.12,;.64,-58.66,;-.71,-56.36,;-.73,-54.82,;.6,-54.04,;1.94,-54.8,;.58,-52.5,;-2.04,-57.15,;-3.38,-56.39,;-3.4,-54.85,;-4.71,-57.18,;-4.69,-58.72,;-3.35,-59.47,;-6.05,-56.42,;-6.06,-54.88,;-7.37,-57.2,;-7.36,-58.74,;-8.72,-56.45,;-10.04,-57.23,;-8.73,-54.91,;-9.96,-53.97,;-9.93,-52.42,;-11.38,-51.91,;-12.32,-53.14,;-11.44,-54.41,;8.63,-57.04,;8.64,-58.58,;9.95,-56.26,;11.3,-57.01,;11.31,-58.55,;12.65,-59.31,;13.98,-58.52,;15.33,-59.28,;15.34,-60.83,;14.01,-61.61,;12.67,-60.85,;12.62,-56.23,;12.61,-54.69,;13.96,-56.99,;15.29,-56.2,;15.27,-54.66,;13.93,-53.91,;16.6,-53.88,;16.63,-56.96,;16.65,-58.5,;17.96,-56.17,;19.3,-56.93,;19.31,-58.47,;20.65,-59.23,;21.98,-58.44,;20.67,-60.77,;20.62,-56.15,;20.61,-54.61,;21.96,-56.9,;23.29,-56.12,;23.27,-54.58,;24.6,-53.8,;24.63,-56.88,;24.65,-58.42,;25.96,-56.09,;27.3,-56.85,;27.31,-58.39,;28.66,-59.15,;29.99,-58.36,;31.33,-59.12,;31.35,-60.66,;32.69,-61.42,;30.02,-61.45,;28.67,-60.69,;28.62,-56.07,;28.61,-54.53,;29.97,-56.82,;31.29,-56.04,;31.28,-54.5,;32.6,-53.72,;32.63,-56.8,;32.65,-58.34,;33.96,-56.01,;35.3,-56.77,;35.32,-58.31,;36.66,-59.06,;36.67,-60.6,;38.01,-61.36,;38.03,-62.9,;36.7,-63.68,;39.37,-63.66,;36.63,-55.98,;36.61,-54.45,;37.97,-56.74,;39.29,-55.96,;39.28,-54.42,;40.6,-53.63,;41.95,-54.39,;43.28,-53.61,;43.26,-52.06,;44.59,-51.28,;41.92,-51.3,;40.59,-52.09,;40.63,-56.71,;40.65,-58.25,;41.96,-55.93,;43.3,-56.69,;43.32,-58.23,;44.66,-58.98,;44.67,-60.52,;46.02,-61.28,;46.03,-62.82,;44.7,-63.6,;47.37,-63.58,;44.63,-55.9,;44.61,-54.36,;45.97,-56.66,;47.29,-55.88,;47.28,-54.34,;48.6,-53.55,;48.59,-52.01,;49.91,-51.23,;49.9,-49.69,;48.64,-56.63,;48.65,-58.17,;49.96,-55.85,;51.3,-56.61,;51.32,-58.15,;52.66,-58.9,;52.68,-60.44,;51.35,-61.23,;54.02,-61.2,;52.63,-55.82,;52.61,-54.28,;53.97,-56.58,;55.3,-55.8,;55.28,-54.26,;56.61,-53.47,;56.59,-51.93,;57.92,-51.15,;56.64,-56.55,;56.65,-58.09,;57.96,-55.77,;59.3,-56.52,;59.32,-58.06,;60.63,-55.74,;60.61,-54.2,;61.97,-56.5,;63.3,-55.71,;63.28,-54.17,;64.61,-53.39,;61.94,-53.42,;64.64,-56.47,;64.65,-58.01,;65.96,-55.69,;67.31,-56.44,;67.32,-57.98,;68.66,-58.74,;68.68,-60.28,;70.02,-61.04,;70.04,-62.58,;68.63,-55.66,;68.62,-54.12,;69.97,-56.42,;71.3,-55.63,;71.28,-54.09,;72.61,-53.31,;72.59,-51.77,;73.92,-50.99,;73.9,-49.45,;72.64,-56.39,;72.66,-57.93,;73.97,-55.61,;75.31,-56.36,;75.32,-57.9,;76.66,-58.66,;77.99,-57.87,;79.34,-58.63,;79.36,-60.18,;80.7,-60.93,;78.03,-60.96,;76.68,-60.2,;76.63,-55.58,;76.62,-54.04,;77.97,-56.33,;79.3,-55.55,;79.28,-54.01,;80.61,-53.23,;80.59,-51.69,;81.95,-53.98,;80.64,-56.31,;80.66,-57.85,;81.97,-55.52,;83.31,-56.28,;83.32,-57.82,;84.63,-55.5,;84.62,-53.96,;85.98,-56.25,;87.3,-55.47,;87.29,-53.93,;88.64,-56.23,;88.66,-57.77,;89.97,-55.44,;91.31,-56.2,;91.33,-57.74,;92.67,-58.49,;90,-58.52,;92.64,-55.42,;92.62,-53.88,;93.98,-56.17,;95.3,-55.39,;95.29,-53.85,;96.61,-53.06,;96.6,-51.52,;97.95,-53.82,;96.64,-56.14,;97.97,-55.36,;96.66,-57.68,)|
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
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 9.40n/an/an/an/an/an/a



Institut National de la Recherche Scientifique

Curated by ChEMBL


Assay Description
Displacement of [125I]Ac-PACAP27 from human recombinant PAC1 receptor expressed in CHO cells by gamma- counter


J Med Chem 52: 3308-16 (2009)


Article DOI: 10.1021/jm900291j
BindingDB Entry DOI: 10.7270/Q29023PC
More data for this
Ligand-Target Pair
Pituitary adenylate cyclase-activating polypeptide type I receptor


(Homo sapiens (Human))
BDBM50250084
PNG
(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 |r,wU:26.26,12.16,4.4,48.49,49.52,63.64,81.83,98.100,121.124,139.142,152.155,168.171,189.193,202.207,214.218,wD:2.2,37.37,55.56,69.70,87.89,110.113,130.133,147.151,159.162,177.180,197.202,207.211,(3.44,1.23,;3.44,-.31,;4.78,-1.08,;6.11,-.31,;4.78,-2.62,;3.44,-3.39,;2.11,-2.62,;2.11,-1.08,;.78,-3.39,;-.56,-2.62,;-1.89,-3.39,;-1.89,-4.93,;-3.23,-2.62,;-3.23,-1.08,;-1.89,-.31,;-.56,-1.08,;-1.89,1.23,;-4.56,-3.39,;-5.89,-2.62,;-5.89,-1.09,;-7.22,-3.39,;-8.55,-4.15,;-6.45,-4.72,;-7.99,-2.06,;-9.52,-2.06,;-10.29,-3.39,;-10.29,-.73,;-11.83,-.73,;-9.52,.6,;-10.29,1.93,;-9.67,3.33,;-10.81,4.36,;-12.14,3.59,;-11.82,2.09,;6.11,-3.39,;6.11,-4.93,;7.44,-2.62,;8.78,-3.39,;8.78,-4.93,;10.11,-5.7,;11.45,-4.93,;12.79,-5.7,;12.79,-7.25,;11.45,-8.02,;10.11,-7.25,;10.11,-2.62,;10.11,-1.08,;11.44,-3.39,;12.78,-2.62,;12.78,-1.08,;11.44,-.31,;14.11,-.31,;14.11,-3.39,;14.11,-4.93,;15.45,-2.62,;16.78,-3.39,;16.78,-4.93,;18.11,-5.7,;19.45,-4.93,;18.11,-7.24,;18.11,-2.62,;18.11,-1.08,;19.45,-3.39,;20.78,-2.62,;20.78,-1.08,;22.11,-.31,;22.11,-3.39,;22.11,-4.93,;23.45,-2.62,;24.78,-3.39,;24.78,-4.93,;26.12,-5.7,;27.45,-4.93,;28.79,-5.7,;28.79,-7.25,;30.13,-8.02,;27.45,-8.02,;26.12,-7.25,;26.12,-2.62,;26.12,-1.08,;27.45,-3.39,;28.78,-2.62,;28.78,-1.08,;30.12,-.31,;30.12,-3.39,;30.12,-4.93,;31.45,-2.62,;32.78,-3.39,;32.78,-4.93,;34.12,-5.7,;34.12,-7.24,;35.45,-8.01,;35.45,-9.55,;34.12,-10.32,;36.78,-10.32,;34.12,-2.62,;34.12,-1.08,;35.45,-3.39,;36.78,-2.62,;36.78,-1.08,;38.12,-.31,;39.46,-1.08,;40.79,-.31,;40.79,1.24,;42.13,2.01,;39.46,2.01,;38.12,1.24,;38.12,-3.39,;38.12,-4.93,;39.45,-2.62,;40.79,-3.39,;40.79,-4.93,;42.12,-5.7,;42.12,-7.24,;43.45,-8.01,;43.45,-9.55,;42.12,-10.32,;44.79,-10.32,;42.12,-2.62,;42.12,-1.08,;43.45,-3.39,;44.79,-2.62,;44.79,-1.08,;46.12,-.31,;46.12,1.23,;47.45,2,;47.45,3.54,;46.12,-3.39,;46.12,-4.93,;47.45,-2.62,;48.79,-3.39,;48.79,-4.93,;50.12,-5.7,;50.12,-7.24,;48.79,-8.01,;51.46,-8.01,;50.12,-2.62,;50.12,-1.08,;51.46,-3.39,;52.79,-2.62,;52.79,-1.08,;54.12,-.31,;54.12,1.23,;55.46,2,;54.12,-3.39,;54.12,-4.93,;55.46,-2.62,;56.79,-3.39,;56.79,-4.93,;58.12,-2.62,;58.12,-1.08,;59.46,-3.39,;60.79,-2.62,;60.79,-1.08,;62.12,-.31,;59.46,-.31,;62.12,-3.39,;62.12,-4.93,;63.46,-2.62,;64.79,-3.39,;64.79,-4.93,;66.13,-5.7,;66.13,-7.24,;67.46,-8.01,;67.46,-9.55,;66.13,-2.62,;66.13,-1.08,;67.46,-3.39,;68.79,-2.62,;68.79,-1.08,;70.13,-.31,;70.13,1.23,;71.46,2,;71.46,3.54,;70.13,-3.39,;70.13,-4.93,;71.46,-2.62,;72.79,-3.39,;72.79,-4.93,;74.13,-5.7,;75.47,-4.93,;76.8,-5.7,;76.8,-7.25,;78.14,-8.02,;75.47,-8.02,;74.13,-7.25,;74.13,-2.62,;74.13,-1.08,;75.46,-3.39,;76.79,-2.62,;76.79,-1.08,;78.13,-.31,;78.13,1.23,;79.46,-1.08,;78.13,-3.39,;78.13,-4.93,;79.46,-2.62,;80.8,-3.39,;80.8,-4.93,;82.13,-2.62,;82.13,-1.08,;83.46,-3.39,;84.8,-2.62,;84.8,-1.08,;86.13,-3.39,;86.13,-4.93,;87.46,-2.62,;88.8,-3.39,;88.8,-4.93,;90.13,-5.7,;87.46,-5.7,;90.13,-2.62,;90.13,-1.08,;91.47,-3.39,;92.8,-2.62,;92.8,-1.08,;94.13,-.31,;94.13,1.23,;95.47,-1.08,;94.13,-3.39,;95.47,-2.62,;94.13,-4.93,)|
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
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 9.5n/an/an/an/an/an/a



Institut National de la Recherche Scientifique

Curated by ChEMBL


Assay Description
Displacement of [125I]Ac-PACAP27 from human recombinant PAC1 receptor expressed in CHO cells by gamma- counter


J Med Chem 52: 3308-16 (2009)


Article DOI: 10.1021/jm900291j
BindingDB Entry DOI: 10.7270/Q29023PC
More data for this
Ligand-Target Pair
Pituitary adenylate cyclase-activating polypeptide type I receptor


(Homo sapiens (Human))
BDBM50250027
PNG
(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 |r|
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
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 9.84n/an/an/an/an/an/a



Institut National de la Recherche Scientifique

Curated by ChEMBL


Assay Description
Displacement of [125I]Ac-PACAP27 from human recombinant PAC1 receptor expressed in CHO cells by gamma- counter


J Med Chem 52: 3308-16 (2009)


Article DOI: 10.1021/jm900291j
BindingDB Entry DOI: 10.7270/Q29023PC
More data for this
Ligand-Target Pair
Pituitary adenylate cyclase-activating polypeptide type I receptor


(Homo sapiens (Human))
BDBM50250038
PNG
(CHEMBL509368 | [D-Asp3]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 |r,wU:26.26,4.4,48.49,49.52,63.64,81.83,98.100,121.124,139.142,152.155,168.171,189.193,202.207,214.218,wD:20.22,12.16,2.2,37.37,55.56,69.70,87.89,110.113,130.133,147.151,159.162,177.180,197.202,207.211,(4.77,2.47,;4.77,.93,;6.1,.16,;7.44,.93,;6.1,-1.38,;4.77,-2.15,;3.44,-1.38,;3.44,.16,;2.1,-2.15,;.77,-1.38,;-.56,-2.15,;-.56,-3.69,;-1.9,-1.38,;-1.9,.16,;-.56,.93,;.77,.16,;-.56,2.47,;-3.23,-2.15,;-4.57,-1.38,;-4.57,.16,;-5.9,-2.15,;-5.9,-3.69,;-4.57,-4.46,;-7.23,-1.38,;-8.57,-2.15,;-8.57,-3.69,;-9.9,-1.38,;-11.23,-2.15,;-9.9,.16,;-8.57,.93,;-7.15,.3,;-6.12,1.45,;-6.89,2.78,;-8.41,2.46,;7.44,-2.15,;7.44,-3.69,;8.77,-1.38,;10.11,-2.15,;10.11,-3.69,;11.44,-4.46,;12.78,-3.69,;14.12,-4.46,;14.12,-6.01,;12.78,-6.78,;11.44,-6.01,;11.44,-1.38,;11.44,.16,;12.77,-2.15,;14.11,-1.38,;14.11,.16,;12.77,.93,;15.44,.93,;15.44,-2.15,;15.44,-3.69,;16.77,-1.38,;18.11,-2.15,;18.11,-3.69,;19.44,-4.46,;20.77,-3.69,;19.44,-6,;19.44,-1.38,;19.44,.16,;20.77,-2.15,;22.11,-1.38,;22.11,.16,;23.44,.93,;23.44,-2.15,;23.44,-3.69,;24.78,-1.38,;26.11,-2.15,;26.11,-3.69,;27.44,-4.46,;28.78,-3.69,;30.12,-4.46,;30.12,-6.01,;31.45,-6.78,;28.78,-6.78,;27.44,-6.01,;27.44,-1.38,;27.44,.16,;28.78,-2.15,;30.11,-1.38,;30.11,.16,;31.44,.93,;31.44,-2.15,;31.44,-3.69,;32.78,-1.38,;34.11,-2.15,;34.11,-3.69,;35.45,-4.46,;35.45,-6,;36.78,-6.77,;36.78,-8.31,;35.45,-9.08,;38.11,-9.08,;35.45,-1.38,;35.45,.16,;36.78,-2.15,;38.11,-1.38,;38.11,.16,;39.45,.93,;40.79,.15,;42.12,.93,;42.12,2.47,;43.46,3.24,;40.79,3.24,;39.45,2.47,;39.45,-2.15,;39.45,-3.69,;40.78,-1.38,;42.11,-2.15,;42.11,-3.69,;43.45,-4.46,;43.45,-6,;44.78,-6.77,;44.78,-8.31,;43.45,-9.08,;46.12,-9.08,;43.45,-1.38,;43.45,.16,;44.78,-2.15,;46.12,-1.38,;46.12,.16,;47.45,.93,;47.45,2.47,;48.78,3.24,;48.78,4.78,;47.45,-2.15,;47.45,-3.69,;48.78,-1.38,;50.12,-2.15,;50.12,-3.69,;51.45,-4.46,;51.45,-6,;50.12,-6.77,;52.78,-6.77,;51.45,-1.38,;51.45,.16,;52.78,-2.15,;54.12,-1.38,;54.12,.16,;55.45,.93,;55.45,2.47,;56.79,3.24,;55.45,-2.15,;55.45,-3.69,;56.79,-1.38,;58.12,-2.15,;58.12,-3.69,;59.45,-1.38,;59.45,.16,;60.79,-2.15,;62.12,-1.38,;62.12,.16,;63.45,.93,;60.79,.93,;63.45,-2.15,;63.45,-3.69,;64.79,-1.38,;66.12,-2.15,;66.12,-3.69,;67.45,-4.46,;67.45,-6,;68.79,-6.77,;68.79,-8.31,;67.45,-1.38,;67.45,.16,;68.79,-2.15,;70.12,-1.38,;70.12,.16,;71.46,.93,;71.46,2.47,;72.79,3.24,;72.79,4.78,;71.46,-2.15,;71.46,-3.69,;72.79,-1.38,;74.12,-2.15,;74.12,-3.69,;75.46,-4.46,;76.8,-3.69,;78.13,-4.46,;78.13,-6.01,;79.47,-6.78,;76.8,-6.78,;75.46,-6.01,;75.46,-1.38,;75.46,.16,;76.79,-2.15,;78.12,-1.38,;78.12,.16,;79.46,.93,;79.46,2.47,;80.79,.16,;79.46,-2.15,;79.46,-3.69,;80.79,-1.38,;82.13,-2.15,;82.13,-3.69,;83.46,-1.38,;83.46,.16,;84.79,-2.15,;86.13,-1.38,;86.13,.16,;87.46,-2.15,;87.46,-3.69,;88.79,-1.38,;90.13,-2.15,;90.13,-3.69,;91.46,-4.46,;88.79,-4.46,;91.46,-1.38,;91.46,.16,;92.8,-2.15,;94.13,-1.38,;94.13,.16,;95.46,.93,;95.46,2.47,;96.8,.16,;95.46,-2.15,;96.8,-1.38,;95.46,-3.69,)|
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
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 9.90n/an/an/an/an/an/a



Institut National de la Recherche Scientifique

Curated by ChEMBL


Assay Description
Displacement of [125I]Ac-PACAP27 from human recombinant PAC1 receptor expressed in CHO cells by gamma- counter


J Med Chem 52: 3308-16 (2009)


Article DOI: 10.1021/jm900291j
BindingDB Entry DOI: 10.7270/Q29023PC
More data for this
Ligand-Target Pair
Pituitary adenylate cyclase-activating polypeptide type I receptor


(Homo sapiens (Human))
BDBM50250049
PNG
(CHEMBL502619 | [N-Me-Asp3]PACAP38)
Show SMILES CC[C@H](C)[C@H](NC(=O)CNC(=O)[C@H](CC(O)=O)N(C)C(=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 |r|
Show InChI InChI=1S/C204H333N63O53S/c1-19-110(12)163(262-157(280)100-231-194(314)152(97-159(283)284)267(17)200(320)151(103-270)261-169(289)125(212)94-120-98-225-104-232-120)198(318)257-146(89-115-41-21-20-22-42-115)191(311)266-164(114(16)271)199(319)258-148(96-158(281)282)190(310)260-150(102-269)193(313)254-145(93-119-60-68-124(275)69-61-119)188(308)259-149(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)256-140(87-105(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)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,230,290)(H,231,314)(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,256,317)(H,257,318)(H,258,319)(H,259,308)(H,260,310)(H,261,289)(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
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 10.4n/an/an/an/an/an/a



Institut National de la Recherche Scientifique

Curated by ChEMBL


Assay Description
Displacement of [125I]Ac-PACAP27 from human recombinant PAC1 receptor expressed in CHO cells by gamma- counter


J Med Chem 52: 3308-16 (2009)


Article DOI: 10.1021/jm900291j
BindingDB Entry DOI: 10.7270/Q29023PC
More data for this
Ligand-Target Pair
Pituitary adenylate cyclase-activating polypeptide type I receptor


(Homo sapiens (Human))
BDBM50250068
PNG
(CHEMBL501240 | PACAP(1-27) | PACAP-27 | [Glu3]PACA...)
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](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 |r,wU:27.27,12.17,4.4,49.50,50.53,64.65,82.84,99.101,122.125,140.143,153.156,169.172,190.194,203.208,215.219,wD:21.23,2.2,38.38,56.57,70.71,88.90,111.114,131.134,148.152,160.163,178.181,198.203,208.212,(4.62,.39,;4.62,-1.15,;5.96,-1.91,;7.29,-1.15,;5.96,-3.45,;4.62,-4.22,;3.28,-3.45,;3.28,-1.91,;1.95,-4.22,;.62,-3.45,;-.71,-4.22,;-.71,-5.76,;-2.04,-3.45,;-2.04,-1.91,;-.71,-1.15,;-.71,.39,;-2.04,1.16,;.62,1.16,;-3.38,-4.22,;-4.72,-3.45,;-4.72,-1.91,;-6.05,-4.22,;-6.05,-5.76,;-4.72,-6.54,;-7.38,-3.45,;-8.71,-4.22,;-8.71,-5.76,;-10.04,-3.45,;-11.38,-4.22,;-10.04,-1.91,;-8.71,-1.15,;-7.3,-1.78,;-6.27,-.62,;-7.04,.71,;-8.55,.39,;7.29,-4.22,;7.29,-5.76,;8.62,-3.45,;9.95,-4.22,;9.95,-5.76,;11.28,-6.54,;12.63,-5.76,;13.96,-6.54,;13.96,-8.08,;12.63,-8.85,;11.28,-8.08,;11.28,-3.45,;11.28,-1.91,;12.62,-4.22,;13.95,-3.45,;13.95,-1.91,;12.62,-1.15,;15.29,-1.15,;15.29,-4.22,;15.29,-5.76,;16.62,-3.45,;17.95,-4.22,;17.95,-5.76,;19.28,-6.54,;20.61,-5.76,;19.28,-8.07,;19.28,-3.45,;19.28,-1.91,;20.61,-4.22,;21.95,-3.45,;21.95,-1.91,;23.29,-1.15,;23.29,-4.22,;23.29,-5.76,;24.62,-3.45,;25.95,-4.22,;25.95,-5.76,;27.28,-6.54,;28.62,-5.76,;29.96,-6.54,;29.96,-8.08,;31.29,-8.85,;28.62,-8.85,;27.28,-8.08,;27.28,-3.45,;27.28,-1.91,;28.61,-4.22,;29.95,-3.45,;29.95,-1.91,;31.29,-1.15,;31.29,-4.22,;31.29,-5.76,;32.62,-3.45,;33.95,-4.22,;33.95,-5.76,;35.28,-6.54,;35.28,-8.07,;36.61,-8.85,;36.61,-10.39,;35.28,-11.15,;37.94,-11.15,;35.28,-3.45,;35.28,-1.91,;36.61,-4.22,;37.94,-3.45,;37.94,-1.91,;39.29,-1.15,;40.62,-1.91,;41.96,-1.15,;41.96,.39,;43.29,1.17,;40.62,1.17,;39.29,.39,;39.29,-4.22,;39.29,-5.76,;40.62,-3.45,;41.95,-4.22,;41.95,-5.76,;43.28,-6.54,;43.28,-8.07,;44.61,-8.85,;44.61,-10.39,;43.28,-11.15,;45.94,-11.15,;43.28,-3.45,;43.28,-1.91,;44.61,-4.22,;45.94,-3.45,;45.94,-1.91,;47.28,-1.15,;47.28,.39,;48.62,1.16,;48.62,2.7,;47.28,-4.22,;47.28,-5.76,;48.62,-3.45,;49.95,-4.22,;49.95,-5.76,;51.28,-6.54,;51.28,-8.07,;49.95,-8.85,;52.61,-8.85,;51.28,-3.45,;51.28,-1.91,;52.61,-4.22,;53.94,-3.45,;53.94,-1.91,;55.28,-1.15,;55.28,.39,;56.62,1.16,;55.28,-4.22,;55.28,-5.76,;56.62,-3.45,;57.95,-4.22,;57.95,-5.76,;59.28,-3.45,;59.28,-1.91,;60.61,-4.22,;61.94,-3.45,;61.94,-1.91,;63.27,-1.15,;60.61,-1.15,;63.27,-4.22,;63.27,-5.76,;64.61,-3.45,;65.95,-4.22,;65.95,-5.76,;67.28,-6.54,;67.28,-8.07,;68.61,-8.85,;68.61,-10.39,;67.28,-3.45,;67.28,-1.91,;68.61,-4.22,;69.94,-3.45,;69.94,-1.91,;71.27,-1.15,;71.27,.39,;72.61,1.16,;72.61,2.7,;71.27,-4.22,;71.27,-5.76,;72.61,-3.45,;73.95,-4.22,;73.95,-5.76,;75.28,-6.54,;76.61,-5.76,;77.95,-6.54,;77.95,-8.08,;79.28,-8.85,;76.61,-8.85,;75.28,-8.08,;75.28,-3.45,;75.28,-1.91,;76.61,-4.22,;77.94,-3.45,;77.94,-1.91,;79.27,-1.15,;79.27,.39,;80.61,-1.91,;79.27,-4.22,;79.27,-5.76,;80.61,-3.45,;81.95,-4.22,;81.95,-5.76,;83.28,-3.45,;83.28,-1.91,;84.61,-4.22,;85.94,-3.45,;85.94,-1.91,;87.27,-4.22,;87.27,-5.76,;88.61,-3.45,;89.95,-4.22,;89.95,-5.76,;91.28,-6.54,;88.61,-6.54,;91.28,-3.45,;91.28,-1.91,;92.61,-4.22,;93.94,-3.45,;93.94,-1.91,;95.27,-1.15,;95.27,.39,;96.6,-1.91,;95.27,-4.22,;96.6,-3.45,;95.27,-5.76,)|
Show InChI InChI=1S/C143H226N40O39S/c1-16-76(10)114(180-109(192)67-157-121(202)95(48-50-110(193)194)166-135(216)105(68-184)177-120(201)89(147)64-85-66-154-71-158-85)140(221)175-103(60-81-28-18-17-19-29-81)134(215)183-115(80(14)187)141(222)176-104(65-111(195)196)133(214)179-107(70-186)137(218)174-102(63-84-39-45-88(190)46-40-84)132(213)178-106(69-185)136(217)165-94(34-27-56-156-143(152)153)127(208)172-100(61-82-35-41-86(188)42-36-82)130(211)164-93(33-26-55-155-142(150)151)125(206)162-90(30-20-23-52-144)123(204)167-96(47-49-108(148)191)128(209)168-97(51-57-223-15)122(203)160-79(13)119(200)181-112(74(6)7)138(219)169-92(32-22-25-54-146)124(205)163-91(31-21-24-53-145)126(207)173-101(62-83-37-43-87(189)44-38-83)131(212)171-99(59-73(4)5)129(210)161-77(11)117(198)159-78(12)118(199)182-113(75(8)9)139(220)170-98(116(149)197)58-72(2)3/h17-19,28-29,35-46,66,71-80,89-107,112-115,184-190H,16,20-27,30-34,47-65,67-70,144-147H2,1-15H3,(H2,148,191)(H2,149,197)(H,154,158)(H,157,202)(H,159,198)(H,160,203)(H,161,210)(H,162,206)(H,163,205)(H,164,211)(H,165,217)(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,174,218)(H,175,221)(H,176,222)(H,177,201)(H,178,213)(H,179,214)(H,180,192)(H,181,200)(H,182,199)(H,183,215)(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
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 10.6n/an/an/an/an/an/a



Institut National de la Recherche Scientifique

Curated by ChEMBL


Assay Description
Displacement of [125I]Ac-PACAP27 from human recombinant PAC1 receptor expressed in CHO cells by gamma- counter


J Med Chem 52: 3308-16 (2009)


Article DOI: 10.1021/jm900291j
BindingDB Entry DOI: 10.7270/Q29023PC
More data for this
Ligand-Target Pair
Pituitary adenylate cyclase-activating polypeptide type I receptor


(Homo sapiens (Human))
BDBM50250032
PNG
(CHEMBL445530 | [Ala7]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)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 |r,wU:26.26,12.16,4.4,61.62,79.81,96.98,119.122,137.140,150.153,166.169,187.191,200.205,212.216,48.50,wD:20.22,2.2,37.37,53.54,67.68,85.87,108.111,128.131,145.149,157.160,175.178,195.200,205.209,(2.22,2.85,;2.22,1.31,;3.55,.54,;4.88,1.31,;3.55,-1,;2.22,-1.77,;.88,-1,;.88,.54,;-.45,-1.77,;-1.78,-1,;-3.12,-1.77,;-3.12,-3.31,;-4.45,-1,;-4.45,.54,;-3.12,1.31,;-1.78,.54,;-3.12,2.85,;-5.79,-1.77,;-7.12,-1,;-7.12,.54,;-8.45,-1.77,;-8.45,-3.31,;-7.12,-4.08,;-9.79,-1,;-11.12,-1.77,;-11.12,-3.31,;-12.45,-1,;-13.79,-1.77,;-12.45,.54,;-11.12,1.31,;-9.71,.68,;-8.68,1.83,;-9.45,3.17,;-10.96,2.85,;4.88,-1.77,;4.88,-3.31,;6.22,-1,;7.55,-1.77,;7.55,-3.31,;8.88,-4.08,;10.22,-3.3,;11.56,-4.08,;11.56,-5.62,;10.22,-6.4,;8.88,-5.62,;8.88,-1,;8.88,.54,;10.22,-1.77,;11.55,-1,;11.55,.54,;12.89,-1.77,;12.89,-3.31,;14.22,-1,;15.55,-1.77,;15.55,-3.31,;16.89,-4.08,;18.22,-3.31,;16.89,-5.62,;16.89,-1,;16.89,.54,;18.22,-1.77,;19.55,-1,;19.55,.54,;20.89,1.31,;20.89,-1.77,;20.89,-3.31,;22.22,-1,;23.56,-1.77,;23.56,-3.31,;24.89,-4.08,;26.23,-3.3,;27.57,-4.08,;27.57,-5.62,;28.9,-6.39,;26.23,-6.4,;24.89,-5.62,;24.89,-1,;24.89,.54,;26.22,-1.77,;27.56,-1,;27.56,.54,;28.89,1.31,;28.89,-1.77,;28.89,-3.31,;30.22,-1,;31.56,-1.77,;31.56,-3.31,;32.89,-4.08,;32.89,-5.62,;34.23,-6.39,;34.23,-7.93,;32.89,-8.7,;35.56,-8.7,;32.89,-1,;32.89,.54,;34.23,-1.77,;35.56,-1,;35.56,.54,;36.89,1.31,;38.23,.54,;39.57,1.31,;39.57,2.86,;40.9,3.63,;38.23,3.63,;36.89,2.86,;36.89,-1.77,;36.89,-3.31,;38.23,-1,;39.56,-1.77,;39.56,-3.31,;40.89,-4.08,;40.89,-5.62,;42.23,-6.39,;42.23,-7.93,;40.89,-8.7,;43.56,-8.7,;40.89,-1,;40.89,.54,;42.23,-1.77,;43.56,-1,;43.56,.54,;44.9,1.31,;44.9,2.85,;46.23,3.62,;46.23,5.16,;44.9,-1.77,;44.9,-3.31,;46.23,-1,;47.56,-1.77,;47.56,-3.31,;48.9,-4.08,;48.9,-5.62,;47.56,-6.39,;50.23,-6.39,;48.9,-1,;48.9,.54,;50.23,-1.77,;51.56,-1,;51.56,.54,;52.9,1.31,;52.9,2.85,;54.23,3.62,;52.9,-1.77,;52.9,-3.31,;54.23,-1,;55.56,-1.77,;55.56,-3.31,;56.9,-1,;56.9,.54,;58.23,-1.77,;59.57,-1,;59.57,.54,;60.9,1.31,;58.23,1.31,;60.9,-1.77,;60.9,-3.31,;62.23,-1,;63.57,-1.77,;63.57,-3.31,;64.9,-4.08,;64.9,-5.62,;66.23,-6.39,;66.23,-7.93,;64.9,-1,;64.9,.54,;66.23,-1.77,;67.57,-1,;67.57,.54,;68.9,1.31,;68.9,2.85,;70.24,3.62,;70.24,5.16,;68.9,-1.77,;68.9,-3.31,;70.24,-1,;71.57,-1.77,;71.57,-3.31,;72.9,-4.08,;74.24,-3.3,;75.58,-4.08,;75.58,-5.62,;76.91,-6.39,;74.24,-6.4,;72.9,-5.62,;72.9,-1,;72.9,.54,;74.24,-1.77,;75.57,-1,;75.57,.54,;76.9,1.31,;76.9,2.85,;78.24,.54,;76.9,-1.77,;76.9,-3.31,;78.24,-1,;79.57,-1.77,;79.57,-3.31,;80.91,-1,;80.91,.54,;82.24,-1.77,;83.57,-1,;83.57,.54,;84.91,-1.77,;84.91,-3.31,;86.24,-1,;87.57,-1.77,;87.57,-3.31,;88.91,-4.08,;86.24,-4.08,;88.91,-1,;88.91,.54,;90.24,-1.77,;91.58,-1,;91.58,.54,;92.91,1.31,;92.91,2.85,;94.24,.54,;92.91,-1.77,;94.24,-1,;92.91,-3.31,)|
Show InChI InChI=1S/C141H222N40O38S/c1-16-75(10)113(179-108(189)66-155-120(200)102(63-109(190)191)174-135(215)104(67-182)176-119(199)88(145)62-84-65-152-70-156-84)139(219)175-98(58-80-28-18-17-19-29-80)129(209)160-77(12)116(196)169-103(64-110(192)193)133(213)178-106(69-184)136(216)173-101(61-83-39-45-87(187)46-40-83)132(212)177-105(68-183)134(214)164-93(34-27-54-154-141(150)151)126(206)171-99(59-81-35-41-85(185)42-36-81)130(210)163-92(33-26-53-153-140(148)149)124(204)161-89(30-20-23-50-142)122(202)165-94(47-48-107(146)188)127(207)166-95(49-55-220-15)121(201)158-79(14)118(198)180-111(73(6)7)137(217)167-91(32-22-25-52-144)123(203)162-90(31-21-24-51-143)125(205)172-100(60-82-37-43-86(186)44-38-82)131(211)170-97(57-72(4)5)128(208)159-76(11)115(195)157-78(13)117(197)181-112(74(8)9)138(218)168-96(114(147)194)56-71(2)3/h17-19,28-29,35-46,65,70-79,88-106,111-113,182-187H,16,20-27,30-34,47-64,66-69,142-145H2,1-15H3,(H2,146,188)(H2,147,194)(H,152,156)(H,155,200)(H,157,195)(H,158,201)(H,159,208)(H,160,209)(H,161,204)(H,162,203)(H,163,210)(H,164,214)(H,165,202)(H,166,207)(H,167,217)(H,168,218)(H,169,196)(H,170,211)(H,171,206)(H,172,205)(H,173,216)(H,174,215)(H,175,219)(H,176,199)(H,177,212)(H,178,213)(H,179,189)(H,180,198)(H,181,197)(H,190,191)(H,192,193)(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-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 10.8n/an/an/an/an/an/a



Institut National de la Recherche Scientifique

Curated by ChEMBL


Assay Description
Displacement of [125I]Ac-PACAP27 from human recombinant PAC1 receptor expressed in CHO cells by gamma- counter


J Med Chem 52: 3308-16 (2009)


Article DOI: 10.1021/jm900291j
BindingDB Entry DOI: 10.7270/Q29023PC
More data for this
Ligand-Target Pair
Pituitary adenylate cyclase-activating polypeptide type I receptor


(Homo sapiens (Human))
BDBM50250070
PNG
(CHEMBL524471 | [Cha6]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 |r,wU:26.26,12.16,4.4,48.49,49.52,63.64,81.83,98.100,121.124,139.142,152.155,168.171,189.193,202.207,214.218,wD:20.22,2.2,37.37,55.56,69.70,87.89,110.113,130.133,147.151,159.162,177.180,197.202,207.211,(5.36,-45.78,;5.36,-47.32,;6.7,-48.09,;8.03,-47.32,;6.7,-49.63,;5.36,-50.4,;4.02,-49.63,;4.02,-48.09,;2.69,-50.4,;1.36,-49.63,;.03,-50.4,;.03,-51.94,;-1.3,-49.63,;-1.3,-48.09,;.03,-47.32,;1.36,-48.09,;.03,-45.78,;-2.63,-50.4,;-3.97,-49.63,;-3.97,-48.09,;-5.31,-50.4,;-5.31,-51.94,;-3.97,-52.71,;-6.64,-49.63,;-7.97,-50.4,;-7.97,-51.94,;-9.3,-49.63,;-10.63,-50.4,;-9.3,-48.09,;-7.97,-47.32,;-6.56,-47.95,;-5.53,-46.8,;-6.3,-45.46,;-7.81,-45.79,;8.03,-50.4,;8.03,-51.94,;9.36,-49.63,;10.69,-50.4,;10.69,-51.94,;12.02,-52.7,;12.01,-54.24,;13.33,-55.01,;14.67,-54.24,;14.67,-52.71,;13.34,-51.93,;12.02,-49.63,;12.02,-48.09,;13.36,-50.4,;14.7,-49.63,;14.7,-48.09,;13.36,-47.32,;16.03,-47.32,;16.03,-50.4,;16.03,-51.94,;17.36,-49.63,;18.69,-50.4,;18.69,-51.94,;20.02,-52.71,;21.36,-51.94,;20.02,-54.25,;20.02,-49.63,;20.02,-48.09,;21.36,-50.4,;22.7,-49.63,;22.7,-48.09,;24.03,-47.32,;24.03,-50.4,;24.03,-51.94,;25.36,-49.63,;26.69,-50.4,;26.69,-51.94,;28.02,-52.71,;29.36,-51.93,;30.7,-52.71,;30.7,-54.25,;32.03,-55.03,;29.36,-55.03,;28.02,-54.25,;28.02,-49.63,;28.02,-48.09,;29.35,-50.4,;30.69,-49.63,;30.69,-48.09,;32.03,-47.32,;32.03,-50.4,;32.03,-51.94,;33.36,-49.63,;34.69,-50.4,;34.69,-51.94,;36.02,-52.71,;36.02,-54.25,;37.35,-55.02,;37.35,-56.56,;36.02,-57.33,;38.69,-57.33,;36.02,-49.63,;36.02,-48.09,;37.35,-50.4,;38.69,-49.63,;38.69,-48.09,;40.03,-47.32,;41.36,-48.09,;42.7,-47.32,;42.7,-45.78,;44.03,-45.01,;41.36,-45,;40.03,-45.78,;40.03,-50.4,;40.03,-51.94,;41.36,-49.63,;42.69,-50.4,;42.69,-51.94,;44.02,-52.71,;44.02,-54.25,;45.35,-55.02,;45.35,-56.56,;44.02,-57.33,;46.69,-57.33,;44.02,-49.63,;44.02,-48.09,;45.35,-50.4,;46.69,-49.63,;46.69,-48.09,;48.03,-47.32,;48.03,-45.78,;49.36,-45.01,;49.36,-43.47,;48.03,-50.4,;48.03,-51.94,;49.36,-49.63,;50.69,-50.4,;50.69,-51.94,;52.02,-52.71,;52.02,-54.25,;50.69,-55.02,;53.35,-55.02,;52.02,-49.63,;52.02,-48.09,;53.35,-50.4,;54.69,-49.63,;54.69,-48.09,;56.02,-47.32,;56.02,-45.78,;57.36,-45.01,;56.02,-50.4,;56.02,-51.94,;57.36,-49.63,;58.69,-50.4,;58.69,-51.94,;60.02,-49.63,;60.02,-48.09,;61.35,-50.4,;62.68,-49.63,;62.68,-48.09,;64.02,-47.32,;61.35,-47.32,;64.02,-50.4,;64.02,-51.94,;65.35,-49.63,;66.69,-50.4,;66.69,-51.94,;68.02,-52.71,;68.02,-54.25,;69.35,-55.02,;69.35,-56.56,;68.02,-49.63,;68.02,-48.09,;69.35,-50.4,;70.68,-49.63,;70.68,-48.09,;72.02,-47.32,;72.02,-45.78,;73.35,-45.01,;73.35,-43.47,;72.02,-50.4,;72.02,-51.94,;73.35,-49.63,;74.69,-50.4,;74.69,-51.94,;76.02,-52.71,;77.36,-51.93,;78.69,-52.71,;78.69,-54.25,;80.02,-55.03,;77.36,-55.03,;76.02,-54.25,;76.02,-49.63,;76.02,-48.09,;77.35,-50.4,;78.68,-49.63,;78.68,-48.09,;80.02,-47.32,;80.02,-45.78,;81.35,-48.09,;80.02,-50.4,;80.02,-51.94,;81.35,-49.63,;82.69,-50.4,;82.69,-51.94,;84.02,-49.63,;84.02,-48.09,;85.35,-50.4,;86.68,-49.63,;86.68,-48.09,;88.02,-50.4,;88.02,-51.94,;89.35,-49.63,;90.69,-50.4,;90.69,-51.94,;92.02,-52.71,;89.35,-52.71,;92.02,-49.63,;92.02,-48.09,;93.35,-50.4,;94.68,-49.63,;94.68,-48.09,;96.01,-47.32,;96.01,-45.78,;97.35,-48.09,;96.01,-50.4,;97.35,-49.63,;96.01,-51.94,)|
Show InChI InChI=1S/C142H230N40O39S/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/h35-46,65,70-80,88-106,111-114,183-189H,16-34,47-64,66-69,143-146H2,1-15H3,(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
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 11n/an/an/an/an/an/a



Institut National de la Recherche Scientifique

Curated by ChEMBL


Assay Description
Displacement of [125I]Ac-PACAP27 from human recombinant PAC1 receptor expressed in CHO cells by gamma- counter


J Med Chem 52: 3308-16 (2009)


Article DOI: 10.1021/jm900291j
BindingDB Entry DOI: 10.7270/Q29023PC
More data for this
Ligand-Target Pair
Pituitary adenylate cyclase-activating polypeptide type I receptor


(Homo sapiens (Human))
BDBM50250063
PNG
(CHEMBL508607 | [His(3-Me)1]PACAP38)
Show SMILES [#6]-[#6]-[#6@H](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#8])-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-c1cn(-[#6])cn1)-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6@@H](-[#6])-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#8])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccc(-[#8])cc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccc(-[#8])cc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#16]-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccc(-[#8])cc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccc(-[#8])cc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](-[#7])=O |r|
Show InChI InChI=1S/C204H333N63O53S/c1-19-110(12)163(262-157(280)99-230-171(291)148(96-158(281)282)255-194(314)150(101-268)259-169(289)125(212)94-120-100-267(17)104-231-120)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(52-39-84-227-203(221)222)181(301)251-143(91-117-56-64-122(273)65-57-117)187(307)242-133(50-37-82-225-201(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)229-98-156(279)235-127(44-24-31-76-206)173(293)239-134(51-38-83-226-202(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(53-40-85-228-204(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/h20-22,41-42,54-69,100,104-114,125-152,160-164,268-275H,19,23-40,43-53,70-99,101-103,205-212H2,1-18H3,(H2,213,276)(H2,214,277)(H2,215,278)(H2,216,285)(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)(H4,217,218,225)(H4,219,220,226)(H4,221,222,227)(H4,223,224,228)/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
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 11.3n/an/an/an/an/an/a



Institut National de la Recherche Scientifique

Curated by ChEMBL


Assay Description
Displacement of [125I]Ac-PACAP27 from human recombinant PAC1 receptor expressed in CHO cells by gamma- counter


J Med Chem 52: 3308-16 (2009)


Article DOI: 10.1021/jm900291j
BindingDB Entry DOI: 10.7270/Q29023PC
More data for this
Ligand-Target Pair
Pituitary adenylate cyclase-activating polypeptide type I receptor


(Homo sapiens (Human))
BDBM50250067
PNG
(CHEMBL526000 | [Aad3]PACAP38)
Show SMILES CC[C@H](C)[C@H](NC(=O)CNC(=O)[C@H](CCCC(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 |r|
Show InChI InChI=1S/C205H335N63O53S/c1-18-111(12)164(264-158(281)101-231-171(291)128(50-36-55-159(282)283)239-194(314)151(102-269)261-170(290)126(213)96-121-99-226-105-233-121)200(320)259-148(91-116-41-20-19-21-42-116)193(313)268-165(115(16)272)201(321)260-150(98-160(284)285)192(312)263-153(104-271)196(316)256-147(95-120-62-70-125(276)71-63-120)190(310)262-152(103-270)195(315)246-137(53-39-86-229-204(222)223)182(302)254-145(93-118-58-66-123(274)67-59-118)188(308)245-135(51-37-84-227-202(218)219)178(298)240-130(45-24-31-79-208)175(295)248-140(73-75-155(215)278)184(304)249-141(76-88-322-17)173(293)235-114(15)169(289)265-161(108(6)7)197(317)250-133(48-27-34-82-211)177(297)241-132(47-26-33-81-210)179(299)255-146(94-119-60-68-124(275)69-61-119)189(309)252-143(90-107(4)5)186(306)236-112(13)167(287)234-113(14)168(288)266-162(109(8)9)199(319)258-142(89-106(2)3)172(292)232-100-157(280)237-129(44-23-30-78-207)174(294)242-136(52-38-85-228-203(220)221)181(301)253-144(92-117-56-64-122(273)65-57-117)187(307)244-131(46-25-32-80-209)176(296)247-139(72-74-154(214)277)183(303)243-138(54-40-87-230-205(224)225)185(305)267-163(110(10)11)198(318)251-134(49-28-35-83-212)180(300)257-149(97-156(216)279)191(311)238-127(166(217)286)43-22-29-77-206/h19-21,41-42,56-71,99,105-115,126-153,161-165,269-276H,18,22-40,43-55,72-98,100-104,206-213H2,1-17H3,(H2,214,277)(H2,215,278)(H2,216,279)(H2,217,286)(H,226,233)(H,231,291)(H,232,292)(H,234,287)(H,235,293)(H,236,306)(H,237,280)(H,238,311)(H,239,314)(H,240,298)(H,241,297)(H,242,294)(H,243,303)(H,244,307)(H,245,308)(H,246,315)(H,247,296)(H,248,295)(H,249,304)(H,250,317)(H,251,318)(H,252,309)(H,253,301)(H,254,302)(H,255,299)(H,256,316)(H,257,300)(H,258,319)(H,259,320)(H,260,321)(H,261,290)(H,262,310)(H,263,312)(H,264,281)(H,265,289)(H,266,288)(H,267,305)(H,268,313)(H,282,283)(H,284,285)(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
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 12.5n/an/an/an/an/an/a



Institut National de la Recherche Scientifique

Curated by ChEMBL


Assay Description
Displacement of [125I]Ac-PACAP27 from human recombinant PAC1 receptor expressed in CHO cells by gamma- counter


J Med Chem 52: 3308-16 (2009)


Article DOI: 10.1021/jm900291j
BindingDB Entry DOI: 10.7270/Q29023PC
More data for this
Ligand-Target Pair
Pituitary adenylate cyclase-activating polypeptide type I receptor


(Homo sapiens (Human))
BDBM50250060
PNG
(CHEMBL526131 | [His(1-Me)1]PACAP27)
Show SMILES [#6]-[#6]-[#6@H](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#8])-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-c1cncn1-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6@@H](-[#6])-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#8])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccc(-[#8])cc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccc(-[#8])cc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#16]-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccc(-[#8])cc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#6](-[#7])=O |r|
Show InChI InChI=1S/C143H226N40O39S/c1-17-76(10)114(179-109(192)67-157-121(202)103(64-110(193)194)173-136(217)105(68-184)176-120(201)89(147)63-85-66-154-71-183(85)15)140(221)174-102(59-81-29-19-18-20-30-81)134(215)182-115(80(14)187)141(222)175-104(65-111(195)196)133(214)178-107(70-186)137(218)172-101(62-84-40-46-88(190)47-41-84)132(213)177-106(69-185)135(216)164-94(35-28-55-156-143(152)153)127(208)170-99(60-82-36-42-86(188)43-37-82)130(211)163-93(34-27-54-155-142(150)151)125(206)161-90(31-21-24-51-144)123(204)165-95(48-49-108(148)191)128(209)166-96(50-56-223-16)122(203)159-79(13)119(200)180-112(74(6)7)138(219)167-92(33-23-26-53-146)124(205)162-91(32-22-25-52-145)126(207)171-100(61-83-38-44-87(189)45-39-83)131(212)169-98(58-73(4)5)129(210)160-77(11)117(198)158-78(12)118(199)181-113(75(8)9)139(220)168-97(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,157,202)(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)(H4,150,151,155)(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
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n/an/a 15.6n/an/an/an/an/an/a



Institut National de la Recherche Scientifique

Curated by ChEMBL


Assay Description
Displacement of [125I]Ac-PACAP27 from human recombinant PAC1 receptor expressed in CHO cells by gamma- counter


J Med Chem 52: 3308-16 (2009)


Article DOI: 10.1021/jm900291j
BindingDB Entry DOI: 10.7270/Q29023PC
More data for this
Ligand-Target Pair
Pituitary adenylate cyclase-activating polypeptide type I receptor


(Homo sapiens (Human))
BDBM50250062
PNG
(CHEMBL524675 | [His(3-Me)1]PACAP27)
Show SMILES [#6]-[#6]-[#6@H](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#8])-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-c1cn(-[#6])cn1)-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6@@H](-[#6])-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#8])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccc(-[#8])cc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccc(-[#8])cc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#16]-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccc(-[#8])cc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#6](-[#7])=O |r|
Show InChI InChI=1S/C143H226N40O39S/c1-17-76(10)114(179-109(192)66-156-121(202)103(64-110(193)194)173-136(217)105(68-184)176-120(201)89(147)63-85-67-183(15)71-157-85)140(221)174-102(59-81-29-19-18-20-30-81)134(215)182-115(80(14)187)141(222)175-104(65-111(195)196)133(214)178-107(70-186)137(218)172-101(62-84-40-46-88(190)47-41-84)132(213)177-106(69-185)135(216)164-94(35-28-55-155-143(152)153)127(208)170-99(60-82-36-42-86(188)43-37-82)130(211)163-93(34-27-54-154-142(150)151)125(206)161-90(31-21-24-51-144)123(204)165-95(48-49-108(148)191)128(209)166-96(50-56-223-16)122(203)159-79(13)119(200)180-112(74(6)7)138(219)167-92(33-23-26-53-146)124(205)162-91(32-22-25-52-145)126(207)171-100(61-83-38-44-87(189)45-39-83)131(212)169-98(58-73(4)5)129(210)160-77(11)117(198)158-78(12)118(199)181-113(75(8)9)139(220)168-97(116(149)197)57-72(2)3/h18-20,29-30,36-47,67,71-80,89-107,112-115,184-190H,17,21-28,31-35,48-66,68-70,144-147H2,1-16H3,(H2,148,191)(H2,149,197)(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)(H4,150,151,154)(H4,152,153,155)/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
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n/an/a 21.6n/an/an/an/an/an/a



Institut National de la Recherche Scientifique

Curated by ChEMBL


Assay Description
Displacement of [125I]Ac-PACAP27 from human recombinant PAC1 receptor expressed in CHO cells by gamma- counter


J Med Chem 52: 3308-16 (2009)


Article DOI: 10.1021/jm900291j
BindingDB Entry DOI: 10.7270/Q29023PC
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (Human))
BDBM50161356
PNG
(CHEMBL3786536)
Show SMILES Cc1cnc(NC(=O)Nc2cccc3C(=O)N4CCCCC4c23)cn1
Show InChI InChI=1S/C16H12BrN3O/c1-8-2-3-9-7-11-14(10(9)6-8)19-16(18)20-15(11)12-4-5-13(17)21-12/h2-6H,7H2,1H3,(H2,18,19,20)
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n/an/a 23n/an/an/an/an/an/a



Universit£ d'Orl£ans

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CDK5/p25 using histone H1 as substrate


Eur J Med Chem 115: 311-25 (2016)


BindingDB Entry DOI: 10.7270/Q2JM2CHT
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (Human))
BDBM50399310
PNG
(CHEMBL2180854)
Show SMILES Brc1ccnc(NC(=O)Nc2cccc3C(=O)N4CCCCC4c23)c1
Show InChI InChI=1S/C18H17BrN4O2/c19-11-7-8-20-15(10-11)22-18(25)21-13-5-3-4-12-16(13)14-6-1-2-9-23(14)17(12)24/h3-5,7-8,10,14H,1-2,6,9H2,(H2,20,21,22,25)
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n/an/a 25n/an/an/an/an/an/a



Universit£ d'Orl£ans

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CDK5/p25 using histone H1 as substrate and [gamma-33P]-ATP after 30 mins by scintillation counting


J Med Chem 55: 9589-606 (2012)


Article DOI: 10.1021/jm3008536
BindingDB Entry DOI: 10.7270/Q28S4R2J
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (Human))
BDBM50161347
PNG
(CHEMBL3786624)
Show SMILES O=Cc1cccc(NC(=O)Nc2cccc3C(=O)N4CCCCC4c23)n1
Show InChI InChI=1S/C16H13N3O/c1-9-4-5-10-8-12-14(11(10)7-9)18-16(17)19-15(12)13-3-2-6-20-13/h2-7H,8H2,1H3,(H2,17,18,19)
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UniChem
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n/an/a 25n/an/an/an/an/an/a



Universit£ d'Orl£ans

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CDK5/p25 using histone H1 as substrate


Eur J Med Chem 115: 311-25 (2016)


BindingDB Entry DOI: 10.7270/Q2JM2CHT
More data for this
Ligand-Target Pair
Pituitary adenylate cyclase-activating polypeptide type I receptor


(Homo sapiens (Human))
BDBM50250048
PNG
(CHEMBL525207 | [N-Me-Asp3]PACAP27)
Show SMILES CC[C@H](C)[C@H](NC(=O)CNC(=O)[C@H](CC(O)=O)N(C)C(=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 |r,wU:27.27,12.16,4.4,49.50,50.53,64.65,82.84,99.101,122.125,140.143,153.156,169.172,190.194,203.208,215.219,wD:21.23,2.2,38.38,56.57,70.71,88.90,111.114,131.134,148.152,160.163,178.181,198.203,208.212,(4.05,-22.05,;4.03,-23.59,;5.36,-24.38,;6.7,-23.62,;5.34,-25.92,;3.99,-26.67,;2.67,-25.88,;2.69,-24.34,;1.33,-26.64,;0,-25.85,;-1.34,-26.6,;-1.36,-28.14,;-2.67,-25.82,;-2.65,-24.28,;-1.3,-23.52,;.02,-24.31,;-1.28,-21.98,;-4.01,-26.57,;-4.03,-28.11,;-5.33,-25.78,;-5.31,-24.24,;-6.68,-26.54,;-6.7,-28.07,;-7.81,-29.14,;-8,-25.75,;-9.34,-26.5,;-9.36,-28.04,;-10.67,-25.72,;-12.01,-26.47,;-10.65,-24.18,;-9.3,-23.42,;-7.9,-24.07,;-6.85,-22.93,;-7.61,-21.59,;-9.12,-21.89,;6.66,-26.7,;6.64,-28.24,;8,-25.95,;9.33,-26.74,;9.31,-28.28,;10.63,-29.06,;11.98,-28.31,;13.31,-29.1,;13.29,-30.64,;11.94,-31.4,;10.61,-30.61,;10.67,-25.98,;10.69,-24.44,;11.99,-26.77,;13.34,-26.02,;13.36,-24.48,;12.03,-23.69,;14.7,-23.72,;14.66,-26.8,;14.64,-28.34,;16,-26.05,;17.33,-26.84,;17.31,-28.38,;18.63,-29.16,;19.98,-28.41,;18.61,-30.7,;18.67,-26.08,;18.69,-24.54,;20,-26.87,;21.34,-26.12,;21.36,-24.58,;22.7,-23.83,;22.66,-26.9,;22.64,-28.44,;24.01,-26.15,;25.33,-26.94,;25.31,-28.48,;26.63,-29.26,;27.98,-28.51,;29.31,-29.3,;29.29,-30.84,;30.61,-31.63,;27.94,-31.6,;26.61,-30.81,;26.67,-26.18,;26.69,-24.65,;28,-26.97,;29.34,-26.22,;29.36,-24.68,;30.7,-23.93,;30.66,-27,;30.64,-28.54,;32.01,-26.25,;33.33,-27.04,;33.31,-28.58,;34.63,-29.36,;34.62,-30.9,;35.94,-31.69,;35.92,-33.23,;34.58,-33.98,;37.24,-34.02,;34.67,-26.29,;34.69,-24.75,;36,-27.07,;37.34,-26.32,;37.36,-24.78,;38.7,-24.03,;40.03,-24.81,;41.38,-24.06,;41.4,-22.51,;42.74,-21.76,;40.07,-21.72,;38.72,-22.48,;38.66,-27.11,;38.65,-28.65,;40.01,-26.35,;41.33,-27.14,;41.31,-28.68,;42.64,-29.47,;42.62,-31,;43.94,-31.79,;43.92,-33.33,;42.58,-34.08,;45.25,-34.12,;42.67,-26.39,;42.69,-24.85,;44,-27.17,;45.34,-26.42,;45.36,-24.88,;46.7,-24.13,;46.72,-22.59,;48.07,-21.83,;48.09,-20.29,;46.67,-27.21,;46.65,-28.75,;48.01,-26.45,;49.33,-27.24,;49.31,-28.78,;50.64,-29.57,;50.62,-31.11,;49.28,-31.86,;51.94,-31.89,;50.68,-26.49,;50.7,-24.95,;52,-27.27,;53.34,-26.52,;53.36,-24.98,;54.71,-24.23,;54.72,-22.69,;56.07,-21.93,;54.67,-27.31,;54.65,-28.85,;56.01,-26.55,;57.33,-27.34,;57.31,-28.88,;58.68,-26.59,;58.7,-25.05,;60,-27.37,;61.34,-26.62,;61.36,-25.08,;62.71,-24.33,;60.04,-24.29,;62.67,-27.41,;62.65,-28.95,;64.01,-26.65,;65.34,-27.44,;65.32,-28.98,;66.64,-29.77,;66.62,-31.31,;67.94,-32.09,;67.93,-33.63,;66.68,-26.69,;66.7,-25.15,;68,-27.47,;69.35,-26.72,;69.36,-25.18,;70.71,-24.43,;70.73,-22.89,;72.07,-22.13,;72.09,-20.59,;70.67,-27.51,;70.65,-29.05,;72.01,-26.75,;73.34,-27.54,;73.32,-29.08,;74.64,-29.87,;75.99,-29.11,;77.32,-29.9,;77.3,-31.45,;78.62,-32.23,;75.95,-32.2,;74.62,-31.41,;74.68,-26.79,;74.7,-25.25,;76,-27.57,;77.35,-26.82,;77.37,-25.28,;78.71,-24.53,;78.73,-22.99,;80.03,-25.31,;78.67,-27.61,;78.65,-29.15,;80.01,-26.85,;81.34,-27.64,;81.32,-29.18,;82.68,-26.89,;82.7,-25.35,;84,-27.67,;85.35,-26.92,;85.37,-25.38,;86.67,-27.71,;86.65,-29.25,;88.02,-26.95,;89.34,-27.74,;89.32,-29.28,;90.64,-30.07,;87.98,-30.03,;90.68,-26.99,;90.7,-25.45,;92.01,-27.77,;93.35,-27.02,;93.37,-25.48,;94.71,-24.73,;94.73,-23.19,;96.04,-25.51,;94.67,-27.81,;96.02,-27.05,;94.65,-29.35,)|
Show InChI InChI=1S/C143H226N40O39S/c1-17-76(10)114(179-109(192)67-157-136(217)107(65-111(195)196)183(15)141(222)106(70-186)178-120(201)89(147)63-85-66-154-71-158-85)139(220)174-102(59-81-29-19-18-20-30-81)133(214)182-115(80(14)187)140(221)175-103(64-110(193)194)132(213)177-105(69-185)135(216)173-101(62-84-40-46-88(190)47-41-84)131(212)176-104(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,157,217)(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,174,220)(H,175,221)(H,176,212)(H,177,213)(H,178,201)(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
PDB

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UniProtKB/SwissProt

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UniChem
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PubMed
n/an/a 25.2n/an/an/an/an/an/a



Institut National de la Recherche Scientifique

Curated by ChEMBL


Assay Description
Displacement of [125I]Ac-PACAP27 from human recombinant PAC1 receptor expressed in CHO cells by gamma- counter


J Med Chem 52: 3308-16 (2009)


Article DOI: 10.1021/jm900291j
BindingDB Entry DOI: 10.7270/Q29023PC
More data for this
Ligand-Target Pair
Pituitary adenylate cyclase-activating polypeptide type I receptor


(Homo sapiens (Human))
BDBM50250029
PNG
(CHEMBL526154 | [Ala5]PACAP38)
Show SMILES CSCC[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1cnc[nH]1)[C@@H](C)O)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 |r|
Show InChI InChI=1S/C200H325N63O53S/c1-102(2)84-137(167(287)227-97-154(276)233-124(41-21-28-73-202)170(290)237-131(48-35-80-223-198(215)216)177(297)249-139(87-113-51-59-118(268)60-52-113)183(303)239-126(43-23-30-75-204)172(292)242-134(67-69-150(209)272)179(299)238-133(50-37-82-225-200(219)220)181(301)262-159(106(9)10)194(314)246-129(46-26-33-78-207)176(296)253-144(92-152(211)274)187(307)234-123(161(212)281)40-20-27-72-201)255-195(315)158(105(7)8)261-164(284)109(13)230-162(282)108(12)232-182(302)138(85-103(3)4)248-185(305)141(89-115-55-63-120(270)64-56-115)251-175(295)127(44-24-31-76-205)236-173(293)128(45-25-32-77-206)245-193(313)157(104(5)6)260-165(285)110(14)231-169(289)136(71-83-317-16)244-180(300)135(68-70-151(210)273)243-171(291)125(42-22-29-74-203)235-174(294)130(47-34-79-222-197(213)214)240-184(304)140(88-114-53-61-119(269)62-54-114)250-178(298)132(49-36-81-224-199(217)218)241-190(310)148(99-265)258-186(306)142(90-116-57-65-121(271)66-58-116)252-192(312)149(100-266)259-188(308)146(94-156(279)280)256-196(316)160(111(15)267)263-189(309)143(86-112-38-18-17-19-39-112)247-163(283)107(11)229-153(275)96-226-168(288)145(93-155(277)278)254-191(311)147(98-264)257-166(286)122(208)91-117-95-221-101-228-117/h17-19,38-39,51-66,95,101-111,122-149,157-160,264-271H,20-37,40-50,67-94,96-100,201-208H2,1-16H3,(H2,209,272)(H2,210,273)(H2,211,274)(H2,212,281)(H,221,228)(H,226,288)(H,227,287)(H,229,275)(H,230,282)(H,231,289)(H,232,302)(H,233,276)(H,234,307)(H,235,294)(H,236,293)(H,237,290)(H,238,299)(H,239,303)(H,240,304)(H,241,310)(H,242,292)(H,243,291)(H,244,300)(H,245,313)(H,246,314)(H,247,283)(H,248,305)(H,249,297)(H,250,298)(H,251,295)(H,252,312)(H,253,296)(H,254,311)(H,255,315)(H,256,316)(H,257,286)(H,258,306)(H,259,308)(H,260,285)(H,261,284)(H,262,301)(H,263,309)(H,277,278)(H,279,280)(H4,213,214,222)(H4,215,216,223)(H4,217,218,224)(H4,219,220,225)/t107-,108-,109-,110-,111+,122-,123-,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-,157-,158-,159-,160-/m0/s1
PDB

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KEGG

UniProtKB/SwissProt

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UniChem
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PubMed
n/an/a 34.4n/an/an/an/an/an/a



Institut National de la Recherche Scientifique

Curated by ChEMBL


Assay Description
Displacement of [125I]Ac-PACAP27 from human recombinant PAC1 receptor expressed in CHO cells by gamma- counter


J Med Chem 52: 3308-16 (2009)


Article DOI: 10.1021/jm900291j
BindingDB Entry DOI: 10.7270/Q29023PC
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (Human))
BDBM50161348
PNG
(CHEMBL3785408)
Show SMILES Cc1cccc(NC(=O)Nc2cccc3C(=O)N4CCCCC4c23)n1
Show InChI InChI=1S/C17H14N4/c1-10-2-3-12-9-14-15(11-4-6-19-7-5-11)20-17(18)21-16(14)13(12)8-10/h2-8H,9H2,1H3,(H2,18,20,21)
PDB
MMDB

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Reactome pathway
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UniChem
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n/an/a 35n/an/an/an/an/an/a



Universit£ d'Orl£ans

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CDK5/p25 using histone H1 as substrate


Eur J Med Chem 115: 311-25 (2016)


BindingDB Entry DOI: 10.7270/Q2JM2CHT
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (Human))
BDBM50399303
PNG
(CHEMBL2180844)
Show SMILES Oc1cccnc1NC(=O)Nc1cccc2C(=O)N3CCCCC3c12
Show InChI InChI=1S/C18H18N4O3/c23-14-8-4-9-19-16(14)21-18(25)20-12-6-3-5-11-15(12)13-7-1-2-10-22(13)17(11)24/h3-6,8-9,13,23H,1-2,7,10H2,(H2,19,20,21,25)
PDB
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n/an/a 37n/an/an/an/an/an/a



Universit£ d'Orl£ans

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CDK5/p25 using histone H1 as substrate and [gamma-33P]-ATP after 30 mins by scintillation counting


J Med Chem 55: 9589-606 (2012)


Article DOI: 10.1021/jm3008536
BindingDB Entry DOI: 10.7270/Q28S4R2J
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (Human))
BDBM50161338
PNG
(CHEMBL3787480)
Show SMILES Cc1ccnc(NC(=O)Nc2cccc3C(=O)N4CCCCC4c23)c1
Show InChI InChI=1S/C17H15N3O2/c1-9-2-3-10-7-13-15(12(10)6-9)19-17(18)20-16(13)14-5-4-11(8-21)22-14/h2-6,21H,7-8H2,1H3,(H2,18,19,20)
PDB
MMDB

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Reactome pathway
KEGG

UniProtKB/SwissProt

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UniChem
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n/an/a 40n/an/an/an/an/an/a



Universit£ d'Orl£ans

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CDK5/p25 using histone H1 as substrate


Eur J Med Chem 115: 311-25 (2016)


BindingDB Entry DOI: 10.7270/Q2JM2CHT
More data for this
Ligand-Target Pair
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