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PubMed code 1325033

Compile data set for download or QSAR
Found 19 hits of Enzyme Inhibition Constant Data   
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
PACAP


(RAT)
BDBM81531
PNG
([D-Phe2]PACAP-38 | [DPhe2]PACAP(1-38))
Show SMILES CCC(C)[C@H](NC(=O)CNC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCCN)C(N)=O
Show InChI InChI=1S/C209H335N63O52S/c1-18-114(12)168(268-162(284)105-236-176(295)154(101-163(285)286)262-193(312)147(93-119-43-21-19-22-44-119)255-174(293)130(217)99-125-103-230-108-237-125)204(323)264-152(94-120-45-23-20-24-46-120)198(317)272-169(118(16)275)205(324)265-155(102-164(287)288)197(316)267-157(107-274)200(319)260-151(98-124-64-72-129(279)73-65-124)195(314)266-156(106-273)199(318)249-140(56-41-88-233-208(226)227)186(305)258-149(96-122-60-68-127(277)69-61-122)192(311)248-138(54-39-86-231-206(222)223)182(301)243-133(49-27-34-81-212)179(298)251-143(75-77-159(219)281)188(307)252-144(78-90-325-17)177(296)239-117(15)173(292)269-165(111(6)7)201(320)253-136(52-30-37-84-215)181(300)244-135(51-29-36-83-214)183(302)259-150(97-123-62-70-128(278)71-63-123)194(313)256-146(92-110(4)5)190(309)240-115(13)171(290)238-116(14)172(291)270-166(112(8)9)203(322)263-145(91-109(2)3)175(294)235-104-161(283)241-132(48-26-33-80-211)178(297)245-139(55-40-87-232-207(224)225)185(304)257-148(95-121-58-66-126(276)67-59-121)191(310)247-134(50-28-35-82-213)180(299)250-142(74-76-158(218)280)187(306)246-141(57-42-89-234-209(228)229)189(308)271-167(113(10)11)202(321)254-137(53-31-38-85-216)184(303)261-153(100-160(220)282)196(315)242-131(170(221)289)47-25-32-79-210/h19-24,43-46,58-73,103,108-118,130-157,165-169,273-279H,18,25-42,47-57,74-102,104-107,210-217H2,1-17H3,(H2,218,280)(H2,219,281)(H2,220,282)(H2,221,289)(H,230,237)(H,235,294)(H,236,295)(H,238,290)(H,239,296)(H,240,309)(H,241,283)(H,242,315)(H,243,301)(H,244,300)(H,245,297)(H,246,306)(H,247,310)(H,248,311)(H,249,318)(H,250,299)(H,251,298)(H,252,307)(H,253,320)(H,254,321)(H,255,293)(H,256,313)(H,257,304)(H,258,305)(H,259,302)(H,260,319)(H,261,303)(H,262,312)(H,263,322)(H,264,323)(H,265,324)(H,266,314)(H,267,316)(H,268,284)(H,269,292)(H,270,291)(H,271,308)(H,272,317)(H,285,286)(H,287,288)(H4,222,223,231)(H4,224,225,232)(H4,226,227,233)(H4,228,229,234)/t114?,115-,116-,117-,118+,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
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PubMed
5n/an/an/an/an/an/an/an/a



Universit´ Libre de Bruxelles

Curated by PDSP Ki Database




Citation and Details
More data for this
Ligand-Target Pair
PACAP


(RAT)
BDBM81535
PNG
(CHEMBL525267 | PACAP(6-38))
Show SMILES CSCC[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCN=C(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](N)Cc1ccccc1)[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](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCCN)C(N)=O
Show InChI InChI=1S/C182H300N56O45S/c1-95(2)83-128(152(257)207-92-141(249)211-115(40-20-27-72-184)154(259)215-122(47-34-79-204-180(197)198)161(266)226-130(86-105-50-58-109(242)59-51-105)167(272)217-117(42-22-29-74-186)156(261)220-125(66-68-138(191)246)163(268)216-124(49-36-81-206-182(201)202)165(270)237-145(99(9)10)176(281)224-120(45-25-32-77-189)160(265)230-134(90-140(193)248)171(276)212-114(147(194)252)39-19-26-71-183)231-177(282)144(98(7)8)236-149(254)101(12)208-148(253)100(11)210-166(271)129(84-96(3)4)225-169(274)132(88-107-54-62-111(244)63-55-107)228-159(264)118(43-23-30-75-187)214-157(262)119(44-24-31-76-188)223-175(280)143(97(5)6)235-150(255)102(13)209-153(258)127(70-82-284-15)222-164(269)126(67-69-139(192)247)221-155(260)116(41-21-28-73-185)213-158(263)121(46-33-78-203-179(195)196)218-168(273)131(87-106-52-60-110(243)61-53-106)227-162(267)123(48-35-80-205-181(199)200)219-173(278)136(93-239)233-170(275)133(89-108-56-64-112(245)65-57-108)229-174(279)137(94-240)234-172(277)135(91-142(250)251)232-178(283)146(103(14)241)238-151(256)113(190)85-104-37-17-16-18-38-104/h16-18,37-38,50-65,95-103,113-137,143-146,239-245H,19-36,39-49,66-94,183-190H2,1-15H3,(H2,191,246)(H2,192,247)(H2,193,248)(H2,194,252)(H,207,257)(H,208,253)(H,209,258)(H,210,271)(H,211,249)(H,212,276)(H,213,263)(H,214,262)(H,215,259)(H,216,268)(H,217,272)(H,218,273)(H,219,278)(H,220,261)(H,221,260)(H,222,269)(H,223,280)(H,224,281)(H,225,274)(H,226,266)(H,227,267)(H,228,264)(H,229,279)(H,230,265)(H,231,282)(H,232,283)(H,233,275)(H,234,277)(H,235,255)(H,236,254)(H,237,270)(H,238,256)(H,250,251)(H4,195,196,203)(H4,197,198,204)(H4,199,200,205)(H4,201,202,206)/t100-,101-,102-,103+,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,135-,136-,137-,143-,144-,145-,146-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
7n/an/an/an/an/an/an/an/a



Universit´ Libre de Bruxelles

Curated by PDSP Ki Database




Citation and Details
More data for this
Ligand-Target Pair
PACAP


(RAT)
BDBM81536
PNG
(PACAP(5-38))
Show SMILES CCC(C)[C@H](N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCCN)C(N)=O
Show InChI InChI=1S/C188H311N57O46S/c1-18-103(12)147(199)180(287)237-137(88-108-40-20-19-21-41-108)177(284)245-151(107(16)248)184(291)239-139(94-146(257)258)176(283)241-141(97-247)179(286)235-136(92-112-59-67-116(252)68-60-112)174(281)240-140(96-246)178(285)225-126(51-38-83-211-187(205)206)166(273)233-134(90-110-55-63-114(250)64-56-110)172(279)224-124(49-36-81-209-185(201)202)162(269)219-119(44-24-31-76-191)159(266)227-129(70-72-143(197)254)168(275)228-130(73-85-292-17)157(264)215-106(15)155(262)242-148(100(6)7)181(288)229-122(47-27-34-79-194)161(268)220-121(46-26-33-78-193)163(270)234-135(91-111-57-65-115(251)66-58-111)173(280)231-132(87-99(4)5)170(277)216-104(13)153(260)214-105(14)154(261)243-149(101(8)9)183(290)238-131(86-98(2)3)156(263)213-95-145(256)217-118(43-23-30-75-190)158(265)221-125(50-37-82-210-186(203)204)165(272)232-133(89-109-53-61-113(249)62-54-109)171(278)223-120(45-25-32-77-192)160(267)226-128(69-71-142(196)253)167(274)222-127(52-39-84-212-188(207)208)169(276)244-150(102(10)11)182(289)230-123(48-28-35-80-195)164(271)236-138(93-144(198)255)175(282)218-117(152(200)259)42-22-29-74-189/h19-21,40-41,53-68,98-107,117-141,147-151,246-252H,18,22-39,42-52,69-97,189-195,199H2,1-17H3,(H2,196,253)(H2,197,254)(H2,198,255)(H2,200,259)(H,213,263)(H,214,260)(H,215,264)(H,216,277)(H,217,256)(H,218,282)(H,219,269)(H,220,268)(H,221,265)(H,222,274)(H,223,278)(H,224,279)(H,225,285)(H,226,267)(H,227,266)(H,228,275)(H,229,288)(H,230,289)(H,231,280)(H,232,272)(H,233,273)(H,234,270)(H,235,286)(H,236,271)(H,237,287)(H,238,290)(H,239,291)(H,240,281)(H,241,283)(H,242,262)(H,243,261)(H,244,276)(H,245,284)(H,257,258)(H4,201,202,209)(H4,203,204,210)(H4,205,206,211)(H4,207,208,212)/t103?,104-,105-,106-,107+,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,135-,136-,137-,138-,139-,140-,141-,147-,148-,149-,150-,151-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PubMed
25n/an/an/an/an/an/an/an/a



Universit´ Libre de Bruxelles

Curated by PDSP Ki Database




Citation and Details
More data for this
Ligand-Target Pair
PACAP


(RAT)
BDBM81528
PNG
(PACAP(7-38))
Show SMILES CSCC[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCN=C(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](N)[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](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCCN)C(N)=O
Show InChI InChI=1S/C173H291N55O44S/c1-89(2)78-120(143(246)198-86-133(239)202-107(35-17-24-67-175)145(248)206-114(42-31-74-195-171(188)189)152(255)217-122(80-98-45-53-102(232)54-46-98)158(261)208-109(37-19-26-69-177)147(250)211-117(61-63-130(181)236)154(257)207-116(44-33-76-197-173(192)193)156(259)228-138(93(9)10)168(271)215-112(40-22-29-72-180)151(254)221-126(84-132(183)238)162(265)203-106(139(185)242)34-16-23-66-174)223-169(272)137(92(7)8)227-141(244)95(12)199-140(243)94(11)201-157(260)121(79-90(3)4)216-160(263)124(82-100-49-57-104(234)58-50-100)219-150(253)110(38-20-27-70-178)205-148(251)111(39-21-28-71-179)214-167(270)136(91(5)6)226-142(245)96(13)200-144(247)119(65-77-273-15)213-155(258)118(62-64-131(182)237)212-146(249)108(36-18-25-68-176)204-149(252)113(41-30-73-194-170(186)187)209-159(262)123(81-99-47-55-103(233)56-48-99)218-153(256)115(43-32-75-196-172(190)191)210-164(267)128(87-229)224-161(264)125(83-101-51-59-105(235)60-52-101)220-165(268)129(88-230)225-163(266)127(85-134(240)241)222-166(269)135(184)97(14)231/h45-60,89-97,106-129,135-138,229-235H,16-44,61-88,174-180,184H2,1-15H3,(H2,181,236)(H2,182,237)(H2,183,238)(H2,185,242)(H,198,246)(H,199,243)(H,200,247)(H,201,260)(H,202,239)(H,203,265)(H,204,252)(H,205,251)(H,206,248)(H,207,257)(H,208,261)(H,209,262)(H,210,267)(H,211,250)(H,212,249)(H,213,258)(H,214,270)(H,215,271)(H,216,263)(H,217,255)(H,218,256)(H,219,253)(H,220,268)(H,221,254)(H,222,269)(H,223,272)(H,224,264)(H,225,266)(H,226,245)(H,227,244)(H,228,259)(H,240,241)(H4,186,187,194)(H4,188,189,195)(H4,190,191,196)(H4,192,193,197)/t94-,95-,96-,97+,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,135-,136-,137-,138-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PubMed
25n/an/an/an/an/an/an/an/a



Universit´ Libre de Bruxelles

Curated by PDSP Ki Database




Citation and Details
More data for this
Ligand-Target Pair
PACAP


(RAT)
BDBM81760
PNG
([Des-His1,Glu3]PACAP-38)
Show SMILES CCC(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
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
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PubMed
30n/an/an/an/an/an/an/an/a



Universit´ Libre de Bruxelles

Curated by PDSP Ki Database




Citation and Details
More data for this
Ligand-Target Pair
PACAP


(RAT)
BDBM81531
PNG
([D-Phe2]PACAP-38 | [DPhe2]PACAP(1-38))
Show SMILES CCC(C)[C@H](NC(=O)CNC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCCN)C(N)=O
Show InChI InChI=1S/C209H335N63O52S/c1-18-114(12)168(268-162(284)105-236-176(295)154(101-163(285)286)262-193(312)147(93-119-43-21-19-22-44-119)255-174(293)130(217)99-125-103-230-108-237-125)204(323)264-152(94-120-45-23-20-24-46-120)198(317)272-169(118(16)275)205(324)265-155(102-164(287)288)197(316)267-157(107-274)200(319)260-151(98-124-64-72-129(279)73-65-124)195(314)266-156(106-273)199(318)249-140(56-41-88-233-208(226)227)186(305)258-149(96-122-60-68-127(277)69-61-122)192(311)248-138(54-39-86-231-206(222)223)182(301)243-133(49-27-34-81-212)179(298)251-143(75-77-159(219)281)188(307)252-144(78-90-325-17)177(296)239-117(15)173(292)269-165(111(6)7)201(320)253-136(52-30-37-84-215)181(300)244-135(51-29-36-83-214)183(302)259-150(97-123-62-70-128(278)71-63-123)194(313)256-146(92-110(4)5)190(309)240-115(13)171(290)238-116(14)172(291)270-166(112(8)9)203(322)263-145(91-109(2)3)175(294)235-104-161(283)241-132(48-26-33-80-211)178(297)245-139(55-40-87-232-207(224)225)185(304)257-148(95-121-58-66-126(276)67-59-121)191(310)247-134(50-28-35-82-213)180(299)250-142(74-76-158(218)280)187(306)246-141(57-42-89-234-209(228)229)189(308)271-167(113(10)11)202(321)254-137(53-31-38-85-216)184(303)261-153(100-160(220)282)196(315)242-131(170(221)289)47-25-32-79-210/h19-24,43-46,58-73,103,108-118,130-157,165-169,273-279H,18,25-42,47-57,74-102,104-107,210-217H2,1-17H3,(H2,218,280)(H2,219,281)(H2,220,282)(H2,221,289)(H,230,237)(H,235,294)(H,236,295)(H,238,290)(H,239,296)(H,240,309)(H,241,283)(H,242,315)(H,243,301)(H,244,300)(H,245,297)(H,246,306)(H,247,310)(H,248,311)(H,249,318)(H,250,299)(H,251,298)(H,252,307)(H,253,320)(H,254,321)(H,255,293)(H,256,313)(H,257,304)(H,258,305)(H,259,302)(H,260,319)(H,261,303)(H,262,312)(H,263,322)(H,264,323)(H,265,324)(H,266,314)(H,267,316)(H,268,284)(H,269,292)(H,270,291)(H,271,308)(H,272,317)(H,285,286)(H,287,288)(H4,222,223,231)(H4,224,225,232)(H4,226,227,233)(H4,228,229,234)/t114?,115-,116-,117-,118+,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
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PubMed
40n/an/an/an/an/an/an/an/a



Universit´ Libre de Bruxelles

Curated by PDSP Ki Database




Citation and Details
More data for this
Ligand-Target Pair
PACAP


(RAT)
BDBM81528
PNG
(PACAP(7-38))
Show SMILES CSCC[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCN=C(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](N)[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](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCCN)C(N)=O
Show InChI InChI=1S/C173H291N55O44S/c1-89(2)78-120(143(246)198-86-133(239)202-107(35-17-24-67-175)145(248)206-114(42-31-74-195-171(188)189)152(255)217-122(80-98-45-53-102(232)54-46-98)158(261)208-109(37-19-26-69-177)147(250)211-117(61-63-130(181)236)154(257)207-116(44-33-76-197-173(192)193)156(259)228-138(93(9)10)168(271)215-112(40-22-29-72-180)151(254)221-126(84-132(183)238)162(265)203-106(139(185)242)34-16-23-66-174)223-169(272)137(92(7)8)227-141(244)95(12)199-140(243)94(11)201-157(260)121(79-90(3)4)216-160(263)124(82-100-49-57-104(234)58-50-100)219-150(253)110(38-20-27-70-178)205-148(251)111(39-21-28-71-179)214-167(270)136(91(5)6)226-142(245)96(13)200-144(247)119(65-77-273-15)213-155(258)118(62-64-131(182)237)212-146(249)108(36-18-25-68-176)204-149(252)113(41-30-73-194-170(186)187)209-159(262)123(81-99-47-55-103(233)56-48-99)218-153(256)115(43-32-75-196-172(190)191)210-164(267)128(87-229)224-161(264)125(83-101-51-59-105(235)60-52-101)220-165(268)129(88-230)225-163(266)127(85-134(240)241)222-166(269)135(184)97(14)231/h45-60,89-97,106-129,135-138,229-235H,16-44,61-88,174-180,184H2,1-15H3,(H2,181,236)(H2,182,237)(H2,183,238)(H2,185,242)(H,198,246)(H,199,243)(H,200,247)(H,201,260)(H,202,239)(H,203,265)(H,204,252)(H,205,251)(H,206,248)(H,207,257)(H,208,261)(H,209,262)(H,210,267)(H,211,250)(H,212,249)(H,213,258)(H,214,270)(H,215,271)(H,216,263)(H,217,255)(H,218,256)(H,219,253)(H,220,268)(H,221,254)(H,222,269)(H,223,272)(H,224,264)(H,225,266)(H,226,245)(H,227,244)(H,228,259)(H,240,241)(H4,186,187,194)(H4,188,189,195)(H4,190,191,196)(H4,192,193,197)/t94-,95-,96-,97+,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,135-,136-,137-,138-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PubMed
150n/an/an/an/an/an/an/an/a



Universit´ Libre de Bruxelles

Curated by PDSP Ki Database




Citation and Details
More data for this
Ligand-Target Pair
PACAP


(RAT)
BDBM81535
PNG
(CHEMBL525267 | PACAP(6-38))
Show SMILES CSCC[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCN=C(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](N)Cc1ccccc1)[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](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCCN)C(N)=O
Show InChI InChI=1S/C182H300N56O45S/c1-95(2)83-128(152(257)207-92-141(249)211-115(40-20-27-72-184)154(259)215-122(47-34-79-204-180(197)198)161(266)226-130(86-105-50-58-109(242)59-51-105)167(272)217-117(42-22-29-74-186)156(261)220-125(66-68-138(191)246)163(268)216-124(49-36-81-206-182(201)202)165(270)237-145(99(9)10)176(281)224-120(45-25-32-77-189)160(265)230-134(90-140(193)248)171(276)212-114(147(194)252)39-19-26-71-183)231-177(282)144(98(7)8)236-149(254)101(12)208-148(253)100(11)210-166(271)129(84-96(3)4)225-169(274)132(88-107-54-62-111(244)63-55-107)228-159(264)118(43-23-30-75-187)214-157(262)119(44-24-31-76-188)223-175(280)143(97(5)6)235-150(255)102(13)209-153(258)127(70-82-284-15)222-164(269)126(67-69-139(192)247)221-155(260)116(41-21-28-73-185)213-158(263)121(46-33-78-203-179(195)196)218-168(273)131(87-106-52-60-110(243)61-53-106)227-162(267)123(48-35-80-205-181(199)200)219-173(278)136(93-239)233-170(275)133(89-108-56-64-112(245)65-57-108)229-174(279)137(94-240)234-172(277)135(91-142(250)251)232-178(283)146(103(14)241)238-151(256)113(190)85-104-37-17-16-18-38-104/h16-18,37-38,50-65,95-103,113-137,143-146,239-245H,19-36,39-49,66-94,183-190H2,1-15H3,(H2,191,246)(H2,192,247)(H2,193,248)(H2,194,252)(H,207,257)(H,208,253)(H,209,258)(H,210,271)(H,211,249)(H,212,276)(H,213,263)(H,214,262)(H,215,259)(H,216,268)(H,217,272)(H,218,273)(H,219,278)(H,220,261)(H,221,260)(H,222,269)(H,223,280)(H,224,281)(H,225,274)(H,226,266)(H,227,267)(H,228,264)(H,229,279)(H,230,265)(H,231,282)(H,232,283)(H,233,275)(H,234,277)(H,235,255)(H,236,254)(H,237,270)(H,238,256)(H,250,251)(H4,195,196,203)(H4,197,198,204)(H4,199,200,205)(H4,201,202,206)/t100-,101-,102-,103+,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,135-,136-,137-,143-,144-,145-,146-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
150n/an/an/an/an/an/an/an/a



Universit´ Libre de Bruxelles

Curated by PDSP Ki Database




Citation and Details
More data for this
Ligand-Target Pair
PACAP


(RAT)
BDBM81529
PNG
(PACAP(5-27) | PACAP(6-27))
Show SMILES CSCC[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCN=C(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](N)Cc1ccccc1)[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(N)=O
Show InChI InChI=1S/C121H193N33O31S/c1-62(2)53-85(98(127)164)144-118(184)96(65(7)8)153-100(166)67(10)134-99(165)66(9)136-110(176)86(54-63(3)4)145-112(178)88(57-72-34-40-75(159)41-35-72)147-107(173)79(28-18-21-48-123)138-105(171)80(29-19-22-49-124)143-117(183)95(64(5)6)152-101(167)68(11)135-103(169)84(46-52-186-13)142-109(175)83(44-45-93(126)161)141-104(170)78(27-17-20-47-122)137-106(172)81(30-23-50-132-120(128)129)139-111(177)87(56-71-32-38-74(158)39-33-71)146-108(174)82(31-24-51-133-121(130)131)140-115(181)91(60-155)150-113(179)89(58-73-36-42-76(160)43-37-73)148-116(182)92(61-156)151-114(180)90(59-94(162)163)149-119(185)97(69(12)157)154-102(168)77(125)55-70-25-15-14-16-26-70/h14-16,25-26,32-43,62-69,77-92,95-97,155-160H,17-24,27-31,44-61,122-125H2,1-13H3,(H2,126,161)(H2,127,164)(H,134,165)(H,135,169)(H,136,176)(H,137,172)(H,138,171)(H,139,177)(H,140,181)(H,141,170)(H,142,175)(H,143,183)(H,144,184)(H,145,178)(H,146,174)(H,147,173)(H,148,182)(H,149,185)(H,150,179)(H,151,180)(H,152,167)(H,153,166)(H,154,168)(H,162,163)(H4,128,129,132)(H4,130,131,133)/t66-,67-,68-,69+,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,95-,96-,97-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PubMed
300n/an/an/an/an/an/an/an/a



Universit´ Libre de Bruxelles

Curated by PDSP Ki Database




Citation and Details
More data for this
Ligand-Target Pair
PACAP


(RAT)
BDBM81534
PNG
(PACAP(4-38))
Show SMILES CCC(C)[C@H](NC(=O)CN)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCCN)C(N)=O
Show InChI InChI=1S/C190H314N58O47S/c1-18-104(12)152(244-146(259)95-198)185(294)240-138(88-109-40-20-19-21-41-109)179(288)248-153(108(16)251)186(295)241-140(94-148(261)262)178(287)243-142(98-250)181(290)237-137(92-113-59-67-117(255)68-60-113)176(285)242-141(97-249)180(289)227-127(51-38-83-213-189(207)208)168(277)235-135(90-111-55-63-115(253)64-56-111)174(283)226-125(49-36-81-211-187(203)204)164(273)221-120(44-24-31-76-193)161(270)229-130(70-72-144(200)257)170(279)230-131(73-85-296-17)159(268)217-107(15)157(266)245-149(101(6)7)182(291)231-123(47-27-34-79-196)163(272)222-122(46-26-33-78-195)165(274)236-136(91-112-57-65-116(254)66-58-112)175(284)233-133(87-100(4)5)172(281)218-105(13)155(264)216-106(14)156(265)246-150(102(8)9)184(293)239-132(86-99(2)3)158(267)215-96-147(260)219-119(43-23-30-75-192)160(269)223-126(50-37-82-212-188(205)206)167(276)234-134(89-110-53-61-114(252)62-54-110)173(282)225-121(45-25-32-77-194)162(271)228-129(69-71-143(199)256)169(278)224-128(52-39-84-214-190(209)210)171(280)247-151(103(10)11)183(292)232-124(48-28-35-80-197)166(275)238-139(93-145(201)258)177(286)220-118(154(202)263)42-22-29-74-191/h19-21,40-41,53-68,99-108,118-142,149-153,249-255H,18,22-39,42-52,69-98,191-198H2,1-17H3,(H2,199,256)(H2,200,257)(H2,201,258)(H2,202,263)(H,215,267)(H,216,264)(H,217,268)(H,218,281)(H,219,260)(H,220,286)(H,221,273)(H,222,272)(H,223,269)(H,224,278)(H,225,282)(H,226,283)(H,227,289)(H,228,271)(H,229,270)(H,230,279)(H,231,291)(H,232,292)(H,233,284)(H,234,276)(H,235,277)(H,236,274)(H,237,290)(H,238,275)(H,239,293)(H,240,294)(H,241,295)(H,242,285)(H,243,287)(H,244,259)(H,245,266)(H,246,265)(H,247,280)(H,248,288)(H,261,262)(H4,203,204,211)(H4,205,206,212)(H4,207,208,213)(H4,209,210,214)/t104?,105-,106-,107-,108+,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,135-,136-,137-,138-,139-,140-,141-,142-,149-,150-,151-,152-,153-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PubMed
300n/an/an/an/an/an/an/an/a



Universit´ Libre de Bruxelles

Curated by PDSP Ki Database




Citation and Details
More data for this
Ligand-Target Pair
PACAP


(RAT)
BDBM81526
PNG
([D-Phe2]PACAP-27 | [DPhe2]PACAP(1-27))
Show SMILES CCC(C)[C@H](NC(=O)CNC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)C(N)=O
Show InChI InChI=1S/C148H228N40O38S/c1-16-80(10)119(185-114(196)72-162-126(206)109(69-115(197)198)180-136(216)104(63-85-31-19-17-20-32-85)175-125(205)94(152)68-90-71-159-75-163-90)145(225)181-108(64-86-33-21-18-22-34-86)140(220)188-120(84(14)191)146(226)182-110(70-116(199)200)139(219)184-112(74-190)142(222)179-107(67-89-44-50-93(194)51-45-89)138(218)183-111(73-189)141(221)170-99(39-30-59-161-148(157)158)132(212)177-105(65-87-40-46-91(192)47-41-87)135(215)169-98(38-29-58-160-147(155)156)130(210)167-95(35-23-26-55-149)128(208)171-100(52-53-113(153)195)133(213)172-101(54-60-227-15)127(207)165-83(13)124(204)186-117(78(6)7)143(223)173-97(37-25-28-57-151)129(209)168-96(36-24-27-56-150)131(211)178-106(66-88-42-48-92(193)49-43-88)137(217)176-103(62-77(4)5)134(214)166-81(11)122(202)164-82(12)123(203)187-118(79(8)9)144(224)174-102(121(154)201)61-76(2)3/h17-22,31-34,40-51,71,75-84,94-112,117-120,189-194H,16,23-30,35-39,52-70,72-74,149-152H2,1-15H3,(H2,153,195)(H2,154,201)(H,159,163)(H,162,206)(H,164,202)(H,165,207)(H,166,214)(H,167,210)(H,168,209)(H,169,215)(H,170,221)(H,171,208)(H,172,213)(H,173,223)(H,174,224)(H,175,205)(H,176,217)(H,177,212)(H,178,211)(H,179,222)(H,180,216)(H,181,225)(H,182,226)(H,183,218)(H,184,219)(H,185,196)(H,186,204)(H,187,203)(H,188,220)(H,197,198)(H,199,200)(H4,155,156,160)(H4,157,158,161)/t80?,81-,82-,83-,84+,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
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PubMed
350n/an/an/an/an/an/an/an/a



Universit´ Libre de Bruxelles

Curated by PDSP Ki Database




Citation and Details
More data for this
Ligand-Target Pair
PACAP


(RAT)
BDBM81526
PNG
([D-Phe2]PACAP-27 | [DPhe2]PACAP(1-27))
Show SMILES CCC(C)[C@H](NC(=O)CNC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)C(N)=O
Show InChI InChI=1S/C148H228N40O38S/c1-16-80(10)119(185-114(196)72-162-126(206)109(69-115(197)198)180-136(216)104(63-85-31-19-17-20-32-85)175-125(205)94(152)68-90-71-159-75-163-90)145(225)181-108(64-86-33-21-18-22-34-86)140(220)188-120(84(14)191)146(226)182-110(70-116(199)200)139(219)184-112(74-190)142(222)179-107(67-89-44-50-93(194)51-45-89)138(218)183-111(73-189)141(221)170-99(39-30-59-161-148(157)158)132(212)177-105(65-87-40-46-91(192)47-41-87)135(215)169-98(38-29-58-160-147(155)156)130(210)167-95(35-23-26-55-149)128(208)171-100(52-53-113(153)195)133(213)172-101(54-60-227-15)127(207)165-83(13)124(204)186-117(78(6)7)143(223)173-97(37-25-28-57-151)129(209)168-96(36-24-27-56-150)131(211)178-106(66-88-42-48-92(193)49-43-88)137(217)176-103(62-77(4)5)134(214)166-81(11)122(202)164-82(12)123(203)187-118(79(8)9)144(224)174-102(121(154)201)61-76(2)3/h17-22,31-34,40-51,71,75-84,94-112,117-120,189-194H,16,23-30,35-39,52-70,72-74,149-152H2,1-15H3,(H2,153,195)(H2,154,201)(H,159,163)(H,162,206)(H,164,202)(H,165,207)(H,166,214)(H,167,210)(H,168,209)(H,169,215)(H,170,221)(H,171,208)(H,172,213)(H,173,223)(H,174,224)(H,175,205)(H,176,217)(H,177,212)(H,178,211)(H,179,222)(H,180,216)(H,181,225)(H,182,226)(H,183,218)(H,184,219)(H,185,196)(H,186,204)(H,187,203)(H,188,220)(H,197,198)(H,199,200)(H4,155,156,160)(H4,157,158,161)/t80?,81-,82-,83-,84+,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
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PubMed
1.00E+3n/an/an/an/an/an/an/an/a



Universit´ Libre de Bruxelles

Curated by PDSP Ki Database




Citation and Details
More data for this
Ligand-Target Pair
PACAP


(RAT)
BDBM81760
PNG
([Des-His1,Glu3]PACAP-38)
Show SMILES CCC(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
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
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PubMed
1.00E+3n/an/an/an/an/an/an/an/a



Universit´ Libre de Bruxelles

Curated by PDSP Ki Database




Citation and Details
More data for this
Ligand-Target Pair
PACAP


(RAT)
BDBM81536
PNG
(PACAP(5-38))
Show SMILES CCC(C)[C@H](N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCCN)C(N)=O
Show InChI InChI=1S/C188H311N57O46S/c1-18-103(12)147(199)180(287)237-137(88-108-40-20-19-21-41-108)177(284)245-151(107(16)248)184(291)239-139(94-146(257)258)176(283)241-141(97-247)179(286)235-136(92-112-59-67-116(252)68-60-112)174(281)240-140(96-246)178(285)225-126(51-38-83-211-187(205)206)166(273)233-134(90-110-55-63-114(250)64-56-110)172(279)224-124(49-36-81-209-185(201)202)162(269)219-119(44-24-31-76-191)159(266)227-129(70-72-143(197)254)168(275)228-130(73-85-292-17)157(264)215-106(15)155(262)242-148(100(6)7)181(288)229-122(47-27-34-79-194)161(268)220-121(46-26-33-78-193)163(270)234-135(91-111-57-65-115(251)66-58-111)173(280)231-132(87-99(4)5)170(277)216-104(13)153(260)214-105(14)154(261)243-149(101(8)9)183(290)238-131(86-98(2)3)156(263)213-95-145(256)217-118(43-23-30-75-190)158(265)221-125(50-37-82-210-186(203)204)165(272)232-133(89-109-53-61-113(249)62-54-109)171(278)223-120(45-25-32-77-192)160(267)226-128(69-71-142(196)253)167(274)222-127(52-39-84-212-188(207)208)169(276)244-150(102(10)11)182(289)230-123(48-28-35-80-195)164(271)236-138(93-144(198)255)175(282)218-117(152(200)259)42-22-29-74-189/h19-21,40-41,53-68,98-107,117-141,147-151,246-252H,18,22-39,42-52,69-97,189-195,199H2,1-17H3,(H2,196,253)(H2,197,254)(H2,198,255)(H2,200,259)(H,213,263)(H,214,260)(H,215,264)(H,216,277)(H,217,256)(H,218,282)(H,219,269)(H,220,268)(H,221,265)(H,222,274)(H,223,278)(H,224,279)(H,225,285)(H,226,267)(H,227,266)(H,228,275)(H,229,288)(H,230,289)(H,231,280)(H,232,272)(H,233,273)(H,234,270)(H,235,286)(H,236,271)(H,237,287)(H,238,290)(H,239,291)(H,240,281)(H,241,283)(H,242,262)(H,243,261)(H,244,276)(H,245,284)(H,257,258)(H4,201,202,209)(H4,203,204,210)(H4,205,206,211)(H4,207,208,212)/t103?,104-,105-,106-,107+,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,135-,136-,137-,138-,139-,140-,141-,147-,148-,149-,150-,151-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Similars

PubMed
1.00E+3n/an/an/an/an/an/an/an/a



Universit´ Libre de Bruxelles

Curated by PDSP Ki Database




Citation and Details
More data for this
Ligand-Target Pair
PACAP


(RAT)
BDBM81759
PNG
([Des-His1,Asn3]PACAP-27)
Show SMILES CCC(C)[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](N)Cc1cnc[nH]1)[C@@H](N)C(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)C(N)=O
Show InChI InChI=1S/C142H225N41O39S/c1-16-74(10)111(179-106(192)65-157-135(216)113(108(148)140(221)222)183-134(215)104(68-186)176-118(199)87(146)62-83-64-154-69-158-83)138(219)174-100(58-79-28-18-17-19-29-79)131(212)182-112(78(14)187)139(220)175-101(63-107(193)194)130(211)178-103(67-185)133(214)173-99(61-82-39-45-86(190)46-40-82)129(210)177-102(66-184)132(213)165-92(34-27-54-156-142(152)153)124(205)171-97(59-80-35-41-84(188)42-36-80)127(208)164-91(33-26-53-155-141(150)151)122(203)162-88(30-20-23-50-143)120(201)166-93(47-48-105(147)191)125(206)167-94(49-55-223-15)119(200)160-77(13)117(198)180-109(72(6)7)136(217)168-90(32-22-25-52-145)121(202)163-89(31-21-24-51-144)123(204)172-98(60-81-37-43-85(189)44-38-81)128(209)170-96(57-71(4)5)126(207)161-75(11)115(196)159-76(12)116(197)181-110(73(8)9)137(218)169-95(114(149)195)56-70(2)3/h17-19,28-29,35-46,64,69-78,87-104,108-113,184-190H,16,20-27,30-34,47-63,65-68,143-146,148H2,1-15H3,(H2,147,191)(H2,149,195)(H,154,158)(H,157,216)(H,159,196)(H,160,200)(H,161,207)(H,162,203)(H,163,202)(H,164,208)(H,165,213)(H,166,201)(H,167,206)(H,168,217)(H,169,218)(H,170,209)(H,171,205)(H,172,204)(H,173,214)(H,174,219)(H,175,220)(H,176,199)(H,177,210)(H,178,211)(H,179,192)(H,180,198)(H,181,197)(H,182,212)(H,183,215)(H,193,194)(H,221,222)(H4,150,151,155)(H4,152,153,156)/t74?,75-,76-,77-,78+,87+,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,108+,109-,110-,111-,112-,113-/m0/s1
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UniProtKB/SwissProt

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AffyNet 
PC cid
PC sid
UniChem

Similars

PubMed
1.50E+3n/an/an/an/an/an/an/an/a



Universit´ Libre de Bruxelles

Curated by PDSP Ki Database




Citation and Details
More data for this
Ligand-Target Pair
PACAP


(RAT)
BDBM81529
PNG
(PACAP(5-27) | PACAP(6-27))
Show SMILES CSCC[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCN=C(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](N)Cc1ccccc1)[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(N)=O
Show InChI InChI=1S/C121H193N33O31S/c1-62(2)53-85(98(127)164)144-118(184)96(65(7)8)153-100(166)67(10)134-99(165)66(9)136-110(176)86(54-63(3)4)145-112(178)88(57-72-34-40-75(159)41-35-72)147-107(173)79(28-18-21-48-123)138-105(171)80(29-19-22-49-124)143-117(183)95(64(5)6)152-101(167)68(11)135-103(169)84(46-52-186-13)142-109(175)83(44-45-93(126)161)141-104(170)78(27-17-20-47-122)137-106(172)81(30-23-50-132-120(128)129)139-111(177)87(56-71-32-38-74(158)39-33-71)146-108(174)82(31-24-51-133-121(130)131)140-115(181)91(60-155)150-113(179)89(58-73-36-42-76(160)43-37-73)148-116(182)92(61-156)151-114(180)90(59-94(162)163)149-119(185)97(69(12)157)154-102(168)77(125)55-70-25-15-14-16-26-70/h14-16,25-26,32-43,62-69,77-92,95-97,155-160H,17-24,27-31,44-61,122-125H2,1-13H3,(H2,126,161)(H2,127,164)(H,134,165)(H,135,169)(H,136,176)(H,137,172)(H,138,171)(H,139,177)(H,140,181)(H,141,170)(H,142,175)(H,143,183)(H,144,184)(H,145,178)(H,146,174)(H,147,173)(H,148,182)(H,149,185)(H,150,179)(H,151,180)(H,152,167)(H,153,166)(H,154,168)(H,162,163)(H4,128,129,132)(H4,130,131,133)/t66-,67-,68-,69+,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,95-,96-,97-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

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AffyNet 
PC cid
PC sid
UniChem

Similars

PubMed
2.00E+3n/an/an/an/an/an/an/an/a



Universit´ Libre de Bruxelles

Curated by PDSP Ki Database




Citation and Details
More data for this
Ligand-Target Pair
PACAP


(RAT)
BDBM81530
PNG
(PACAP(6-27) | PACAP(7-27))
Show SMILES CSCC[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCN=C(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](N)[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(N)=O
Show InChI InChI=1S/C112H184N32O30S/c1-56(2)48-77(90(118)154)135-110(174)89(59(7)8)144-92(156)61(10)125-91(155)60(9)127-101(165)78(49-57(3)4)136-103(167)80(51-65-29-35-68(149)36-30-65)138-98(162)71(23-15-18-43-114)129-96(160)72(24-16-19-44-115)134-109(173)88(58(5)6)143-93(157)62(11)126-94(158)76(41-47-175-13)133-100(164)75(39-40-85(116)151)132-95(159)70(22-14-17-42-113)128-97(161)73(25-20-45-123-111(119)120)130-102(166)79(50-64-27-33-67(148)34-28-64)137-99(163)74(26-21-46-124-112(121)122)131-106(170)83(54-145)141-104(168)81(52-66-31-37-69(150)38-32-66)139-107(171)84(55-146)142-105(169)82(53-86(152)153)140-108(172)87(117)63(12)147/h27-38,56-63,70-84,87-89,145-150H,14-26,39-55,113-115,117H2,1-13H3,(H2,116,151)(H2,118,154)(H,125,155)(H,126,158)(H,127,165)(H,128,161)(H,129,160)(H,130,166)(H,131,170)(H,132,159)(H,133,164)(H,134,173)(H,135,174)(H,136,167)(H,137,163)(H,138,162)(H,139,171)(H,140,172)(H,141,168)(H,142,169)(H,143,157)(H,144,156)(H,152,153)(H4,119,120,123)(H4,121,122,124)/t60-,61-,62-,63+,70-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,87-,88-,89-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PubMed
4.00E+3n/an/an/an/an/an/an/an/a



Universit´ Libre de Bruxelles

Curated by PDSP Ki Database




Citation and Details
More data for this
Ligand-Target Pair
PACAP


(RAT)
BDBM81759
PNG
([Des-His1,Asn3]PACAP-27)
Show SMILES CCC(C)[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](N)Cc1cnc[nH]1)[C@@H](N)C(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)C(N)=O
Show InChI InChI=1S/C142H225N41O39S/c1-16-74(10)111(179-106(192)65-157-135(216)113(108(148)140(221)222)183-134(215)104(68-186)176-118(199)87(146)62-83-64-154-69-158-83)138(219)174-100(58-79-28-18-17-19-29-79)131(212)182-112(78(14)187)139(220)175-101(63-107(193)194)130(211)178-103(67-185)133(214)173-99(61-82-39-45-86(190)46-40-82)129(210)177-102(66-184)132(213)165-92(34-27-54-156-142(152)153)124(205)171-97(59-80-35-41-84(188)42-36-80)127(208)164-91(33-26-53-155-141(150)151)122(203)162-88(30-20-23-50-143)120(201)166-93(47-48-105(147)191)125(206)167-94(49-55-223-15)119(200)160-77(13)117(198)180-109(72(6)7)136(217)168-90(32-22-25-52-145)121(202)163-89(31-21-24-51-144)123(204)172-98(60-81-37-43-85(189)44-38-81)128(209)170-96(57-71(4)5)126(207)161-75(11)115(196)159-76(12)116(197)181-110(73(8)9)137(218)169-95(114(149)195)56-70(2)3/h17-19,28-29,35-46,64,69-78,87-104,108-113,184-190H,16,20-27,30-34,47-63,65-68,143-146,148H2,1-15H3,(H2,147,191)(H2,149,195)(H,154,158)(H,157,216)(H,159,196)(H,160,200)(H,161,207)(H,162,203)(H,163,202)(H,164,208)(H,165,213)(H,166,201)(H,167,206)(H,168,217)(H,169,218)(H,170,209)(H,171,205)(H,172,204)(H,173,214)(H,174,219)(H,175,220)(H,176,199)(H,177,210)(H,178,211)(H,179,192)(H,180,198)(H,181,197)(H,182,212)(H,183,215)(H,193,194)(H,221,222)(H4,150,151,155)(H4,152,153,156)/t74?,75-,76-,77-,78+,87+,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,108+,109-,110-,111-,112-,113-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PubMed
5.00E+3n/an/an/an/an/an/an/an/a



Universit´ Libre de Bruxelles

Curated by PDSP Ki Database




Citation and Details
More data for this
Ligand-Target Pair
PACAP


(RAT)
BDBM81530
PNG
(PACAP(6-27) | PACAP(7-27))
Show SMILES CSCC[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCN=C(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](N)[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(N)=O
Show InChI InChI=1S/C112H184N32O30S/c1-56(2)48-77(90(118)154)135-110(174)89(59(7)8)144-92(156)61(10)125-91(155)60(9)127-101(165)78(49-57(3)4)136-103(167)80(51-65-29-35-68(149)36-30-65)138-98(162)71(23-15-18-43-114)129-96(160)72(24-16-19-44-115)134-109(173)88(58(5)6)143-93(157)62(11)126-94(158)76(41-47-175-13)133-100(164)75(39-40-85(116)151)132-95(159)70(22-14-17-42-113)128-97(161)73(25-20-45-123-111(119)120)130-102(166)79(50-64-27-33-67(148)34-28-64)137-99(163)74(26-21-46-124-112(121)122)131-106(170)83(54-145)141-104(168)81(52-66-31-37-69(150)38-32-66)139-107(171)84(55-146)142-105(169)82(53-86(152)153)140-108(172)87(117)63(12)147/h27-38,56-63,70-84,87-89,145-150H,14-26,39-55,113-115,117H2,1-13H3,(H2,116,151)(H2,118,154)(H,125,155)(H,126,158)(H,127,165)(H,128,161)(H,129,160)(H,130,166)(H,131,170)(H,132,159)(H,133,164)(H,134,173)(H,135,174)(H,136,167)(H,137,163)(H,138,162)(H,139,171)(H,140,172)(H,141,168)(H,142,169)(H,143,157)(H,144,156)(H,152,153)(H4,119,120,123)(H4,121,122,124)/t60-,61-,62-,63+,70-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,87-,88-,89-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Universit´ Libre de Bruxelles

Curated by PDSP Ki Database




Citation and Details
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%