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PubMed code 1997328

Compile data set for download or QSAR
Found 39 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
VIP


(RAT)
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
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
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
0.300n/an/an/an/an/an/an/an/a



Université Libre de Bruxelles

Curated by PDSP Ki Database




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


()
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
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
UniProtKB/TrEMBL

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
0.300n/an/an/an/an/an/an/an/a



Université Libre de Bruxelles

Curated by PDSP Ki Database




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


(RAT)
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
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
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

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



Université Libre de Bruxelles

Curated by PDSP Ki Database




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


(RAT)
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
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
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
0.900n/an/an/an/an/an/an/an/a



Université Libre de Bruxelles

Curated by PDSP Ki Database




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


(RAT)
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
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
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
0.900n/an/an/an/an/an/an/an/a



Université Libre de Bruxelles

Curated by PDSP Ki Database




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


(RAT)
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
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
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
1n/an/an/an/an/an/an/an/a



Université Libre de Bruxelles

Curated by PDSP Ki Database




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


(RAT)
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
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
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
1.5n/an/an/an/an/an/an/an/a



Université Libre de Bruxelles

Curated by PDSP Ki Database




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


()
BDBM82356
PNG
(PACAP(2-38))
Show SMILES CCC(C)[C@H](NC(=O)CNC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](N)CO)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/C197H324N60O52S/c1-18-106(12)157(253-151(270)97-223-165(281)143(94-152(271)272)241-163(279)120(205)98-258)192(308)249-141(88-111-40-20-19-21-41-111)186(302)257-158(110(16)261)193(309)250-144(95-153(273)274)185(301)252-146(100-260)188(304)246-140(92-115-59-67-119(265)68-60-115)183(299)251-145(99-259)187(303)235-130(51-38-83-220-196(214)215)175(291)244-138(90-113-55-63-117(263)64-56-113)181(297)234-128(49-36-81-218-194(210)211)171(287)229-123(44-24-31-76-200)168(284)237-133(70-72-148(207)267)177(293)238-134(73-85-310-17)166(282)225-109(15)162(278)254-154(103(6)7)189(305)239-126(47-27-34-79-203)170(286)230-125(46-26-33-78-202)172(288)245-139(91-114-57-65-118(264)66-58-114)182(298)242-136(87-102(4)5)179(295)226-107(13)160(276)224-108(14)161(277)255-155(104(8)9)191(307)248-135(86-101(2)3)164(280)222-96-150(269)227-122(43-23-30-75-199)167(283)231-129(50-37-82-219-195(212)213)174(290)243-137(89-112-53-61-116(262)62-54-112)180(296)233-124(45-25-32-77-201)169(285)236-132(69-71-147(206)266)176(292)232-131(52-39-84-221-197(216)217)178(294)256-156(105(10)11)190(306)240-127(48-28-35-80-204)173(289)247-142(93-149(208)268)184(300)228-121(159(209)275)42-22-29-74-198/h19-21,40-41,53-68,101-110,120-146,154-158,258-265H,18,22-39,42-52,69-100,198-205H2,1-17H3,(H2,206,266)(H2,207,267)(H2,208,268)(H2,209,275)(H,222,280)(H,223,281)(H,224,276)(H,225,282)(H,226,295)(H,227,269)(H,228,300)(H,229,287)(H,230,286)(H,231,283)(H,232,292)(H,233,296)(H,234,297)(H,235,303)(H,236,285)(H,237,284)(H,238,293)(H,239,305)(H,240,306)(H,241,279)(H,242,298)(H,243,290)(H,244,291)(H,245,288)(H,246,304)(H,247,289)(H,248,307)(H,249,308)(H,250,309)(H,251,299)(H,252,301)(H,253,270)(H,254,278)(H,255,277)(H,256,294)(H,257,302)(H,271,272)(H,273,274)(H4,210,211,218)(H4,212,213,219)(H4,214,215,220)(H4,216,217,221)/t106?,107-,108-,109-,110+,120-,121-,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-,154-,155-,156-,157-,158-/m0/s1
UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

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



Université Libre de Bruxelles

Curated by PDSP Ki Database




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


(RAT)
BDBM82359
PNG
([Ser9]VIP)
Show SMILES CCC(C)C(NC(=O)C(CO)NC(=O)C(CC(N)=O)NC(=O)C(CC(C)C)NC(=O)C(Cc1ccc(O)cc1)NC(=O)C(CCCCN)NC(=O)C(CCCCN)NC(=O)C(NC(=O)C(C)NC(=O)C(CCSC)NC(=O)C(CCC(N)=O)NC(=O)C(CCCCN)NC(=O)C(CCCN=C(N)N)NC(=O)C(CC(C)C)NC(=O)C(CCCN=C(N)N)NC(=O)C(NC(=O)C(Cc1ccc(O)cc1)NC(=O)C(CO)NC(=O)C(CC(O)=O)NC(=O)C(NC(=O)C(Cc1ccccc1)NC(=O)C(NC(=O)C(C)NC(=O)C(CC(O)=O)NC(=O)C(CO)NC(=O)C(N)Cc1cnc[nH]1)C(C)C)C(C)O)C(C)O)C(C)C)C(=O)NC(CC(C)C)C(=O)NC(CC(N)=O)C(O)=O
Show InChI InChI=1S/C146H236N42O43S/c1-18-75(12)114(141(227)177-96(56-72(6)7)130(216)180-103(144(230)231)62-109(153)198)186-138(224)106(68-191)183-132(218)100(61-108(152)197)175-129(215)95(55-71(4)5)172-131(217)97(58-81-37-41-84(194)42-38-81)173-124(210)88(33-23-26-49-148)165-122(208)89(34-24-27-50-149)169-139(225)112(73(8)9)184-117(203)76(13)162-120(206)93(47-53-232-17)168-126(212)92(45-46-107(151)196)167-121(207)87(32-22-25-48-147)164-123(209)90(35-28-51-159-145(154)155)166-128(214)94(54-70(2)3)171-125(211)91(36-29-52-160-146(156)157)170-142(228)115(78(15)192)187-134(220)98(59-82-39-43-85(195)44-40-82)174-137(223)105(67-190)182-133(219)102(64-111(201)202)179-143(229)116(79(16)193)188-135(221)99(57-80-30-20-19-21-31-80)178-140(226)113(74(10)11)185-118(204)77(14)163-127(213)101(63-110(199)200)176-136(222)104(66-189)181-119(205)86(150)60-83-65-158-69-161-83/h19-21,30-31,37-44,65,69-79,86-106,112-116,189-195H,18,22-29,32-36,45-64,66-68,147-150H2,1-17H3,(H2,151,196)(H2,152,197)(H2,153,198)(H,158,161)(H,162,206)(H,163,213)(H,164,209)(H,165,208)(H,166,214)(H,167,207)(H,168,212)(H,169,225)(H,170,228)(H,171,211)(H,172,217)(H,173,210)(H,174,223)(H,175,215)(H,176,222)(H,177,227)(H,178,226)(H,179,229)(H,180,216)(H,181,205)(H,182,219)(H,183,218)(H,184,203)(H,185,204)(H,186,224)(H,187,220)(H,188,221)(H,199,200)(H,201,202)(H,230,231)(H4,154,155,159)(H4,156,157,160)
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PubMed
3n/an/an/an/an/an/an/an/a



Université Libre de Bruxelles

Curated by PDSP Ki Database




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


(RAT)
BDBM82357
PNG
([Tyr13]VIP)
Show SMILES CCC(C)C(NC(=O)C(CO)NC(=O)C(CC(N)=O)NC(=O)C(CC(C)C)NC(=O)C(Cc1ccc(O)cc1)NC(=O)C(CCCCN)NC(=O)C(CCCCN)NC(=O)C(NC(=O)C(C)NC(=O)C(CCSC)NC(=O)C(CCC(N)=O)NC(=O)C(CCCCN)NC(=O)C(CCCN=C(N)N)NC(=O)C(CCc1ccc(O)cc1)NC(=O)C(CCCN=C(N)N)NC(=O)C(NC(=O)C(Cc1ccc(O)cc1)NC(=O)C(CC(O)=O)NC(=O)C(CC(O)=O)NC(=O)C(NC(=O)C(Cc1ccccc1)NC(=O)C(NC(=O)C(C)NC(=O)C(CC(O)=O)NC(=O)C(CO)NC(=O)C(N)Cc1cnc[nH]1)C(C)C)C(C)O)C(C)O)C(C)C)C(=O)NC(CC(C)C)C(=O)NC(CC(N)=O)C(O)=O
Show InChI InChI=1S/C151H237N42O46S/c1-16-77(10)119(146(233)183-100(59-74(4)5)135(222)186-108(149(236)237)65-113(158)203)191-143(230)110(71-195)188-137(224)104(64-112(157)202)180-134(221)99(58-73(2)3)177-136(223)101(61-84-37-44-88(199)45-38-84)178-130(217)92(31-21-24-53-153)170-127(214)93(32-22-25-54-154)175-144(231)117(75(6)7)189-122(209)78(11)167-125(212)98(51-57-240-15)174-132(219)97(49-50-111(156)201)173-126(213)91(30-20-23-52-152)169-128(215)94(33-26-55-164-150(159)160)171-131(218)96(48-41-82-35-42-87(198)43-36-82)172-129(216)95(34-27-56-165-151(161)162)176-147(234)120(80(13)196)192-140(227)102(62-85-39-46-89(200)47-40-85)179-139(226)107(68-116(208)239-238)182-138(225)106(67-115(206)207)185-148(235)121(81(14)197)193-141(228)103(60-83-28-18-17-19-29-83)184-145(232)118(76(8)9)190-123(210)79(12)168-133(220)105(66-114(204)205)181-142(229)109(70-194)187-124(211)90(155)63-86-69-163-72-166-86/h17-19,28-29,35-40,42-47,69,72-81,90-110,117-121,194-200,238-239H,16,20-27,30-34,41,48-68,70-71,152-155H2,1-15H3,(H2,156,201)(H2,157,202)(H2,158,203)(H,163,166)(H,167,212)(H,168,220)(H,169,215)(H,170,214)(H,171,218)(H,172,216)(H,173,213)(H,174,219)(H,175,231)(H,176,234)(H,177,223)(H,178,217)(H,179,226)(H,180,221)(H,181,229)(H,182,225)(H,183,233)(H,184,232)(H,185,235)(H,186,222)(H,187,211)(H,188,224)(H,189,209)(H,190,210)(H,191,230)(H,192,227)(H,193,228)(H,204,205)(H,206,207)(H,236,237)(H4,159,160,164)(H4,161,162,165)
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3n/an/an/an/an/an/an/an/a



Université Libre de Bruxelles

Curated by PDSP Ki Database




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


(RAT)
BDBM81828
PNG
(CAS_37221-79-7 | VIP(4-28) | Vasoactive intestinal...)
Show SMILES CCC(C)C(NC(=O)C(CO)NC(=O)C(CC(N)=O)NC(=O)C(CC(C)C)NC(=O)C(Cc1ccc(O)cc1)NC(=O)C(CCCCN)NC(=O)C(CCCCN)NC(=O)C(NC(=O)C(C)NC(=O)C(CCSC)NC(=O)C(CCC(N)=O)NC(=O)C(CCCCN)NC(=O)C(CCCN=C(N)N)NC(=O)C(CC(C)C)NC(=O)C(CCCN=C(N)N)NC(=O)C(NC(=O)C(Cc1ccc(O)cc1)NC(=O)C(CC(N)=O)NC(=O)C(CC(O)=O)NC(=O)C(NC(=O)C(Cc1ccccc1)NC(=O)C(NC(=O)C(C)NC(=O)C(CC(O)=O)NC(=O)C(CO)NC(=O)C(N)Cc1cnc[nH]1)C(C)C)C(C)O)C(C)O)C(C)C)C(=O)NC(CC(C)C)C(=O)NC(CC(N)=O)C(O)=O
Show InChI InChI=1S/C147H237N43O43S/c1-18-75(12)115(142(229)180-96(56-72(6)7)131(218)183-104(145(232)233)63-110(155)200)188-139(226)106(68-192)185-134(221)101(62-109(154)199)177-130(217)95(55-71(4)5)174-132(219)97(58-81-37-41-84(195)42-38-81)175-125(212)88(33-23-26-49-149)167-123(210)89(34-24-27-50-150)171-140(227)113(73(8)9)186-118(205)76(13)164-121(208)93(47-53-234-17)170-127(214)92(45-46-107(152)197)169-122(209)87(32-22-25-48-148)166-124(211)90(35-28-51-161-146(156)157)168-129(216)94(54-70(2)3)173-126(213)91(36-29-52-162-147(158)159)172-143(230)116(78(15)193)189-136(223)98(59-82-39-43-85(196)44-40-82)176-133(220)100(61-108(153)198)178-135(222)103(65-112(203)204)182-144(231)117(79(16)194)190-137(224)99(57-80-30-20-19-21-31-80)181-141(228)114(74(10)11)187-119(206)77(14)165-128(215)102(64-111(201)202)179-138(225)105(67-191)184-120(207)86(151)60-83-66-160-69-163-83/h19-21,30-31,37-44,66,69-79,86-106,113-117,191-196H,18,22-29,32-36,45-65,67-68,148-151H2,1-17H3,(H2,152,197)(H2,153,198)(H2,154,199)(H2,155,200)(H,160,163)(H,164,208)(H,165,215)(H,166,211)(H,167,210)(H,168,216)(H,169,209)(H,170,214)(H,171,227)(H,172,230)(H,173,213)(H,174,219)(H,175,212)(H,176,220)(H,177,217)(H,178,222)(H,179,225)(H,180,229)(H,181,228)(H,182,231)(H,183,218)(H,184,207)(H,185,221)(H,186,205)(H,187,206)(H,188,226)(H,189,223)(H,190,224)(H,201,202)(H,203,204)(H,232,233)(H4,156,157,161)(H4,158,159,162)
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3n/an/an/an/an/an/an/an/a



Université Libre de Bruxelles

Curated by PDSP Ki Database




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


(RAT)
BDBM82360
PNG
([Ser9,Tyr13]VIP)
Show SMILES CCC(C)C(NC(=O)C(CO)NC(=O)C(CC(N)=O)NC(=O)C(CC(C)C)NC(=O)C(Cc1ccc(O)cc1)NC(=O)C(CCCCN)NC(=O)C(CCCCN)NC(=O)C(NC(=O)C(C)NC(=O)C(CCSC)NC(=O)C(CCC(N)=O)NC(=O)C(CCCCN)NC(=O)C(CCCN=C(N)N)NC(=O)C(Cc1ccc(O)cc1)NC(=O)C(CCCN=C(N)N)NC(=O)C(NC(=O)C(Cc1ccc(O)cc1)NC(=O)C(CO)NC(=O)C(CC(O)=O)NC(=O)C(NC(=O)C(Cc1ccccc1)NC(=O)C(NC(=O)C(C)NC(=O)C(CC(O)=O)NC(=O)C(CO)NC(=O)C(N)Cc1cnc[nH]1)C(C)C)C(C)O)C(C)O)C(C)C)C(=O)NC(CC(C)C)C(=O)NC(CC(N)=O)C(O)=O
Show InChI InChI=1S/C149H234N42O44S/c1-16-76(10)117(144(231)180-98(57-73(4)5)132(219)183-106(147(234)235)64-112(156)202)189-141(228)109(70-194)186-135(222)103(63-111(155)201)178-131(218)97(56-72(2)3)174-134(221)100(60-83-37-43-87(198)44-38-83)176-127(214)91(31-21-24-51-151)168-125(212)92(32-22-25-52-152)172-142(229)115(74(6)7)187-120(207)77(11)165-123(210)96(49-55-236-15)171-129(216)95(47-48-110(154)200)170-124(211)90(30-20-23-50-150)167-126(213)93(33-26-53-162-148(157)158)169-133(220)99(59-82-35-41-86(197)42-36-82)175-128(215)94(34-27-54-163-149(159)160)173-145(232)118(79(13)195)190-137(224)101(61-84-39-45-88(199)46-40-84)177-140(227)108(69-193)185-136(223)105(66-114(205)206)182-146(233)119(80(14)196)191-138(225)102(58-81-28-18-17-19-29-81)181-143(230)116(75(8)9)188-121(208)78(12)166-130(217)104(65-113(203)204)179-139(226)107(68-192)184-122(209)89(153)62-85-67-161-71-164-85/h17-19,28-29,35-46,67,71-80,89-109,115-119,192-199H,16,20-27,30-34,47-66,68-70,150-153H2,1-15H3,(H2,154,200)(H2,155,201)(H2,156,202)(H,161,164)(H,165,210)(H,166,217)(H,167,213)(H,168,212)(H,169,220)(H,170,211)(H,171,216)(H,172,229)(H,173,232)(H,174,221)(H,175,215)(H,176,214)(H,177,227)(H,178,218)(H,179,226)(H,180,231)(H,181,230)(H,182,233)(H,183,219)(H,184,209)(H,185,223)(H,186,222)(H,187,207)(H,188,208)(H,189,228)(H,190,224)(H,191,225)(H,203,204)(H,205,206)(H,234,235)(H4,157,158,162)(H4,159,160,163)
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3n/an/an/an/an/an/an/an/a



Université Libre de Bruxelles

Curated by PDSP Ki Database




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


(RAT)
BDBM82356
PNG
(PACAP(2-38))
Show SMILES CCC(C)[C@H](NC(=O)CNC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](N)CO)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/C197H324N60O52S/c1-18-106(12)157(253-151(270)97-223-165(281)143(94-152(271)272)241-163(279)120(205)98-258)192(308)249-141(88-111-40-20-19-21-41-111)186(302)257-158(110(16)261)193(309)250-144(95-153(273)274)185(301)252-146(100-260)188(304)246-140(92-115-59-67-119(265)68-60-115)183(299)251-145(99-259)187(303)235-130(51-38-83-220-196(214)215)175(291)244-138(90-113-55-63-117(263)64-56-113)181(297)234-128(49-36-81-218-194(210)211)171(287)229-123(44-24-31-76-200)168(284)237-133(70-72-148(207)267)177(293)238-134(73-85-310-17)166(282)225-109(15)162(278)254-154(103(6)7)189(305)239-126(47-27-34-79-203)170(286)230-125(46-26-33-78-202)172(288)245-139(91-114-57-65-118(264)66-58-114)182(298)242-136(87-102(4)5)179(295)226-107(13)160(276)224-108(14)161(277)255-155(104(8)9)191(307)248-135(86-101(2)3)164(280)222-96-150(269)227-122(43-23-30-75-199)167(283)231-129(50-37-82-219-195(212)213)174(290)243-137(89-112-53-61-116(262)62-54-112)180(296)233-124(45-25-32-77-201)169(285)236-132(69-71-147(206)266)176(292)232-131(52-39-84-221-197(216)217)178(294)256-156(105(10)11)190(306)240-127(48-28-35-80-204)173(289)247-142(93-149(208)268)184(300)228-121(159(209)275)42-22-29-74-198/h19-21,40-41,53-68,101-110,120-146,154-158,258-265H,18,22-39,42-52,69-100,198-205H2,1-17H3,(H2,206,266)(H2,207,267)(H2,208,268)(H2,209,275)(H,222,280)(H,223,281)(H,224,276)(H,225,282)(H,226,295)(H,227,269)(H,228,300)(H,229,287)(H,230,286)(H,231,283)(H,232,292)(H,233,296)(H,234,297)(H,235,303)(H,236,285)(H,237,284)(H,238,293)(H,239,305)(H,240,306)(H,241,279)(H,242,298)(H,243,290)(H,244,291)(H,245,288)(H,246,304)(H,247,289)(H,248,307)(H,249,308)(H,250,309)(H,251,299)(H,252,301)(H,253,270)(H,254,278)(H,255,277)(H,256,294)(H,257,302)(H,271,272)(H,273,274)(H4,210,211,218)(H4,212,213,219)(H4,214,215,220)(H4,216,217,221)/t106?,107-,108-,109-,110+,120-,121-,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-,154-,155-,156-,157-,158-/m0/s1
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4n/an/an/an/an/an/an/an/a



Université Libre de Bruxelles

Curated by PDSP Ki Database




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


(RAT)
BDBM82358
PNG
(PACAP-VIP)
Show SMILES CCC(C)C(NC(=O)CNC(=O)C(CC(O)=O)NC(=O)C(CO)NC(=O)C(N)Cc1cnc[nH]1)C(=O)NC(Cc1ccccc1)C(=O)NC(C(C)O)C(=O)NC(CC(O)=O)C(=O)NC(CO)C(=O)NC(Cc1ccc(O)cc1)C(=O)NC(C(C)O)C(=O)NC(CCCN=C(N)N)C(=O)NC(CC(C)C)C(=O)NC(CCCN=C(N)N)C(=O)NC(CCCCN)C(=O)NC(CCC(N)=O)C(=O)NC(CCSC)C(=O)NC(C)C(=O)NC(C(C)C)C(=O)NC(CCCCN)C(=O)NC(CCCCN)C(=O)NC(Cc1ccc(O)cc1)C(=O)NC(CC(C)C)C(=O)NC(CC(N)=O)C(=O)NC(CO)C(=O)NC(C(C)CC)C(=O)NC(CC(C)C)C(=O)NC(CC(N)=O)C(O)=O
Show InChI InChI=1S/C146H236N42O43S/c1-17-75(11)114(184-110(199)66-161-120(206)101(63-111(200)201)176-136(222)104(67-189)181-119(205)86(150)60-83-65-158-70-162-83)140(226)178-99(57-80-30-20-19-21-31-80)135(221)188-117(79(15)193)143(229)179-102(64-112(202)203)133(219)182-105(68-190)137(223)174-98(59-82-39-43-85(195)44-40-82)134(220)187-116(78(14)192)142(228)170-91(36-29-52-160-146(156)157)126(212)171-94(54-71(3)4)128(214)166-90(35-28-51-159-145(154)155)124(210)164-87(32-22-25-48-147)122(208)167-92(45-46-107(151)196)127(213)168-93(47-53-232-16)121(207)163-77(13)118(204)185-113(74(9)10)139(225)169-89(34-24-27-50-149)123(209)165-88(33-23-26-49-148)125(211)173-97(58-81-37-41-84(194)42-38-81)131(217)172-95(55-72(5)6)129(215)175-100(61-108(152)197)132(218)183-106(69-191)138(224)186-115(76(12)18-2)141(227)177-96(56-73(7)8)130(216)180-103(144(230)231)62-109(153)198/h19-21,30-31,37-44,65,70-79,86-106,113-117,189-195H,17-18,22-29,32-36,45-64,66-69,147-150H2,1-16H3,(H2,151,196)(H2,152,197)(H2,153,198)(H,158,162)(H,161,206)(H,163,207)(H,164,210)(H,165,209)(H,166,214)(H,167,208)(H,168,213)(H,169,225)(H,170,228)(H,171,212)(H,172,217)(H,173,211)(H,174,223)(H,175,215)(H,176,222)(H,177,227)(H,178,226)(H,179,229)(H,180,216)(H,181,205)(H,182,219)(H,183,218)(H,184,199)(H,185,204)(H,186,224)(H,187,220)(H,188,221)(H,200,201)(H,202,203)(H,230,231)(H4,154,155,159)(H4,156,157,160)
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6n/an/an/an/an/an/an/an/a



Université Libre de Bruxelles

Curated by PDSP Ki Database




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


()
BDBM82358
PNG
(PACAP-VIP)
Show SMILES CCC(C)C(NC(=O)CNC(=O)C(CC(O)=O)NC(=O)C(CO)NC(=O)C(N)Cc1cnc[nH]1)C(=O)NC(Cc1ccccc1)C(=O)NC(C(C)O)C(=O)NC(CC(O)=O)C(=O)NC(CO)C(=O)NC(Cc1ccc(O)cc1)C(=O)NC(C(C)O)C(=O)NC(CCCN=C(N)N)C(=O)NC(CC(C)C)C(=O)NC(CCCN=C(N)N)C(=O)NC(CCCCN)C(=O)NC(CCC(N)=O)C(=O)NC(CCSC)C(=O)NC(C)C(=O)NC(C(C)C)C(=O)NC(CCCCN)C(=O)NC(CCCCN)C(=O)NC(Cc1ccc(O)cc1)C(=O)NC(CC(C)C)C(=O)NC(CC(N)=O)C(=O)NC(CO)C(=O)NC(C(C)CC)C(=O)NC(CC(C)C)C(=O)NC(CC(N)=O)C(O)=O
Show InChI InChI=1S/C146H236N42O43S/c1-17-75(11)114(184-110(199)66-161-120(206)101(63-111(200)201)176-136(222)104(67-189)181-119(205)86(150)60-83-65-158-70-162-83)140(226)178-99(57-80-30-20-19-21-31-80)135(221)188-117(79(15)193)143(229)179-102(64-112(202)203)133(219)182-105(68-190)137(223)174-98(59-82-39-43-85(195)44-40-82)134(220)187-116(78(14)192)142(228)170-91(36-29-52-160-146(156)157)126(212)171-94(54-71(3)4)128(214)166-90(35-28-51-159-145(154)155)124(210)164-87(32-22-25-48-147)122(208)167-92(45-46-107(151)196)127(213)168-93(47-53-232-16)121(207)163-77(13)118(204)185-113(74(9)10)139(225)169-89(34-24-27-50-149)123(209)165-88(33-23-26-49-148)125(211)173-97(58-81-37-41-84(194)42-38-81)131(217)172-95(55-72(5)6)129(215)175-100(61-108(152)197)132(218)183-106(69-191)138(224)186-115(76(12)18-2)141(227)177-96(56-73(7)8)130(216)180-103(144(230)231)62-109(153)198/h19-21,30-31,37-44,65,70-79,86-106,113-117,189-195H,17-18,22-29,32-36,45-64,66-69,147-150H2,1-16H3,(H2,151,196)(H2,152,197)(H2,153,198)(H,158,162)(H,161,206)(H,163,207)(H,164,210)(H,165,209)(H,166,214)(H,167,208)(H,168,213)(H,169,225)(H,170,228)(H,171,212)(H,172,217)(H,173,211)(H,174,223)(H,175,215)(H,176,222)(H,177,227)(H,178,226)(H,179,229)(H,180,216)(H,181,205)(H,182,219)(H,183,218)(H,184,199)(H,185,204)(H,186,224)(H,187,220)(H,188,221)(H,200,201)(H,202,203)(H,230,231)(H4,154,155,159)(H4,156,157,160)
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8n/an/an/an/an/an/an/an/a



Université Libre de Bruxelles

Curated by PDSP Ki Database




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


(RAT)
BDBM82356
PNG
(PACAP(2-38))
Show SMILES CCC(C)[C@H](NC(=O)CNC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](N)CO)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/C197H324N60O52S/c1-18-106(12)157(253-151(270)97-223-165(281)143(94-152(271)272)241-163(279)120(205)98-258)192(308)249-141(88-111-40-20-19-21-41-111)186(302)257-158(110(16)261)193(309)250-144(95-153(273)274)185(301)252-146(100-260)188(304)246-140(92-115-59-67-119(265)68-60-115)183(299)251-145(99-259)187(303)235-130(51-38-83-220-196(214)215)175(291)244-138(90-113-55-63-117(263)64-56-113)181(297)234-128(49-36-81-218-194(210)211)171(287)229-123(44-24-31-76-200)168(284)237-133(70-72-148(207)267)177(293)238-134(73-85-310-17)166(282)225-109(15)162(278)254-154(103(6)7)189(305)239-126(47-27-34-79-203)170(286)230-125(46-26-33-78-202)172(288)245-139(91-114-57-65-118(264)66-58-114)182(298)242-136(87-102(4)5)179(295)226-107(13)160(276)224-108(14)161(277)255-155(104(8)9)191(307)248-135(86-101(2)3)164(280)222-96-150(269)227-122(43-23-30-75-199)167(283)231-129(50-37-82-219-195(212)213)174(290)243-137(89-112-53-61-116(262)62-54-112)180(296)233-124(45-25-32-77-201)169(285)236-132(69-71-147(206)266)176(292)232-131(52-39-84-221-197(216)217)178(294)256-156(105(10)11)190(306)240-127(48-28-35-80-204)173(289)247-142(93-149(208)268)184(300)228-121(159(209)275)42-22-29-74-198/h19-21,40-41,53-68,101-110,120-146,154-158,258-265H,18,22-39,42-52,69-100,198-205H2,1-17H3,(H2,206,266)(H2,207,267)(H2,208,268)(H2,209,275)(H,222,280)(H,223,281)(H,224,276)(H,225,282)(H,226,295)(H,227,269)(H,228,300)(H,229,287)(H,230,286)(H,231,283)(H,232,292)(H,233,296)(H,234,297)(H,235,303)(H,236,285)(H,237,284)(H,238,293)(H,239,305)(H,240,306)(H,241,279)(H,242,298)(H,243,290)(H,244,291)(H,245,288)(H,246,304)(H,247,289)(H,248,307)(H,249,308)(H,250,309)(H,251,299)(H,252,301)(H,253,270)(H,254,278)(H,255,277)(H,256,294)(H,257,302)(H,271,272)(H,273,274)(H4,210,211,218)(H4,212,213,219)(H4,214,215,220)(H4,216,217,221)/t106?,107-,108-,109-,110+,120-,121-,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-,154-,155-,156-,157-,158-/m0/s1
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10n/an/an/an/an/an/an/an/a



Université Libre de Bruxelles

Curated by PDSP Ki Database




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


(RAT)
BDBM82362
PNG
(VIP-PACAP)
Show SMILES CSCCC(NC(=O)C(CCC(N)=O)NC(=O)C(CCCCN)NC(=O)C(CCCN=C(N)N)NC(=O)C(CC(C)C)NC(=O)C(CCCN=C(N)N)NC(=O)C(NC(=O)C(Cc1ccc(O)cc1)NC(=O)C(CC(N)=O)NC(=O)C(CC(O)=O)NC(=O)C(NC(=O)C(Cc1ccccc1)NC(=O)C(NC(=O)C(C)NC(=O)C(CC(O)=O)NC(=O)C(CO)NC(=O)C(N)Cc1cnc[nH]1)C(C)C)C(C)O)C(C)O)C(=O)NC(C)C(=O)NC(C(C)C)C(=O)NC(CCCCN)C(=O)NC(CCCCN)C(=O)NC(Cc1ccc(O)cc1)C(=O)NC(CC(C)C)C(=O)NC(C)C(=O)NC(C)C(=O)NC(C(C)C)C(=O)NC(CC(C)C)C(N)=O
Show InChI InChI=1S/C141H229N41O38S/c1-68(2)55-94(113(148)194)168-136(217)109(72(9)10)179-115(196)75(14)157-114(195)74(13)159-126(207)95(56-69(3)4)170-129(210)97(59-81-38-42-84(186)43-39-81)171-123(204)88(34-24-27-50-143)162-121(202)89(35-25-28-51-144)166-135(216)108(71(7)8)178-116(197)76(15)158-119(200)93(48-54-221-19)165-125(206)92(46-47-104(146)188)164-120(201)87(33-23-26-49-142)161-122(203)90(36-29-52-154-140(149)150)163-128(209)96(57-70(5)6)169-124(205)91(37-30-53-155-141(151)152)167-138(219)111(78(17)184)181-132(213)98(60-82-40-44-85(187)45-41-82)172-130(211)100(62-105(147)189)173-131(212)102(64-107(192)193)176-139(220)112(79(18)185)182-133(214)99(58-80-31-21-20-22-32-80)175-137(218)110(73(11)12)180-117(198)77(16)160-127(208)101(63-106(190)191)174-134(215)103(66-183)177-118(199)86(145)61-83-65-153-67-156-83/h20-22,31-32,38-45,65,67-79,86-103,108-112,183-187H,23-30,33-37,46-64,66,142-145H2,1-19H3,(H2,146,188)(H2,147,189)(H2,148,194)(H,153,156)(H,157,195)(H,158,200)(H,159,207)(H,160,208)(H,161,203)(H,162,202)(H,163,209)(H,164,201)(H,165,206)(H,166,216)(H,167,219)(H,168,217)(H,169,205)(H,170,210)(H,171,204)(H,172,211)(H,173,212)(H,174,215)(H,175,218)(H,176,220)(H,177,199)(H,178,197)(H,179,196)(H,180,198)(H,181,213)(H,182,214)(H,190,191)(H,192,193)(H4,149,150,154)(H4,151,152,155)
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10n/an/an/an/an/an/an/an/a



Université Libre de Bruxelles

Curated by PDSP Ki Database




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


()
BDBM82360
PNG
([Ser9,Tyr13]VIP)
Show SMILES CCC(C)C(NC(=O)C(CO)NC(=O)C(CC(N)=O)NC(=O)C(CC(C)C)NC(=O)C(Cc1ccc(O)cc1)NC(=O)C(CCCCN)NC(=O)C(CCCCN)NC(=O)C(NC(=O)C(C)NC(=O)C(CCSC)NC(=O)C(CCC(N)=O)NC(=O)C(CCCCN)NC(=O)C(CCCN=C(N)N)NC(=O)C(Cc1ccc(O)cc1)NC(=O)C(CCCN=C(N)N)NC(=O)C(NC(=O)C(Cc1ccc(O)cc1)NC(=O)C(CO)NC(=O)C(CC(O)=O)NC(=O)C(NC(=O)C(Cc1ccccc1)NC(=O)C(NC(=O)C(C)NC(=O)C(CC(O)=O)NC(=O)C(CO)NC(=O)C(N)Cc1cnc[nH]1)C(C)C)C(C)O)C(C)O)C(C)C)C(=O)NC(CC(C)C)C(=O)NC(CC(N)=O)C(O)=O
Show InChI InChI=1S/C149H234N42O44S/c1-16-76(10)117(144(231)180-98(57-73(4)5)132(219)183-106(147(234)235)64-112(156)202)189-141(228)109(70-194)186-135(222)103(63-111(155)201)178-131(218)97(56-72(2)3)174-134(221)100(60-83-37-43-87(198)44-38-83)176-127(214)91(31-21-24-51-151)168-125(212)92(32-22-25-52-152)172-142(229)115(74(6)7)187-120(207)77(11)165-123(210)96(49-55-236-15)171-129(216)95(47-48-110(154)200)170-124(211)90(30-20-23-50-150)167-126(213)93(33-26-53-162-148(157)158)169-133(220)99(59-82-35-41-86(197)42-36-82)175-128(215)94(34-27-54-163-149(159)160)173-145(232)118(79(13)195)190-137(224)101(61-84-39-45-88(199)46-40-84)177-140(227)108(69-193)185-136(223)105(66-114(205)206)182-146(233)119(80(14)196)191-138(225)102(58-81-28-18-17-19-29-81)181-143(230)116(75(8)9)188-121(208)78(12)166-130(217)104(65-113(203)204)179-139(226)107(68-192)184-122(209)89(153)62-85-67-161-71-164-85/h17-19,28-29,35-46,67,71-80,89-109,115-119,192-199H,16,20-27,30-34,47-66,68-70,150-153H2,1-15H3,(H2,154,200)(H2,155,201)(H2,156,202)(H,161,164)(H,165,210)(H,166,217)(H,167,213)(H,168,212)(H,169,220)(H,170,211)(H,171,216)(H,172,229)(H,173,232)(H,174,221)(H,175,215)(H,176,214)(H,177,227)(H,178,218)(H,179,226)(H,180,231)(H,181,230)(H,182,233)(H,183,219)(H,184,209)(H,185,223)(H,186,222)(H,187,207)(H,188,208)(H,189,228)(H,190,224)(H,191,225)(H,203,204)(H,205,206)(H,234,235)(H4,157,158,162)(H4,159,160,163)
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15n/an/an/an/an/an/an/an/a



Université Libre de Bruxelles

Curated by PDSP Ki Database




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


(RAT)
BDBM82358
PNG
(PACAP-VIP)
Show SMILES CCC(C)C(NC(=O)CNC(=O)C(CC(O)=O)NC(=O)C(CO)NC(=O)C(N)Cc1cnc[nH]1)C(=O)NC(Cc1ccccc1)C(=O)NC(C(C)O)C(=O)NC(CC(O)=O)C(=O)NC(CO)C(=O)NC(Cc1ccc(O)cc1)C(=O)NC(C(C)O)C(=O)NC(CCCN=C(N)N)C(=O)NC(CC(C)C)C(=O)NC(CCCN=C(N)N)C(=O)NC(CCCCN)C(=O)NC(CCC(N)=O)C(=O)NC(CCSC)C(=O)NC(C)C(=O)NC(C(C)C)C(=O)NC(CCCCN)C(=O)NC(CCCCN)C(=O)NC(Cc1ccc(O)cc1)C(=O)NC(CC(C)C)C(=O)NC(CC(N)=O)C(=O)NC(CO)C(=O)NC(C(C)CC)C(=O)NC(CC(C)C)C(=O)NC(CC(N)=O)C(O)=O
Show InChI InChI=1S/C146H236N42O43S/c1-17-75(11)114(184-110(199)66-161-120(206)101(63-111(200)201)176-136(222)104(67-189)181-119(205)86(150)60-83-65-158-70-162-83)140(226)178-99(57-80-30-20-19-21-31-80)135(221)188-117(79(15)193)143(229)179-102(64-112(202)203)133(219)182-105(68-190)137(223)174-98(59-82-39-43-85(195)44-40-82)134(220)187-116(78(14)192)142(228)170-91(36-29-52-160-146(156)157)126(212)171-94(54-71(3)4)128(214)166-90(35-28-51-159-145(154)155)124(210)164-87(32-22-25-48-147)122(208)167-92(45-46-107(151)196)127(213)168-93(47-53-232-16)121(207)163-77(13)118(204)185-113(74(9)10)139(225)169-89(34-24-27-50-149)123(209)165-88(33-23-26-49-148)125(211)173-97(58-81-37-41-84(194)42-38-81)131(217)172-95(55-72(5)6)129(215)175-100(61-108(152)197)132(218)183-106(69-191)138(224)186-115(76(12)18-2)141(227)177-96(56-73(7)8)130(216)180-103(144(230)231)62-109(153)198/h19-21,30-31,37-44,65,70-79,86-106,113-117,189-195H,17-18,22-29,32-36,45-64,66-69,147-150H2,1-16H3,(H2,151,196)(H2,152,197)(H2,153,198)(H,158,162)(H,161,206)(H,163,207)(H,164,210)(H,165,209)(H,166,214)(H,167,208)(H,168,213)(H,169,225)(H,170,228)(H,171,212)(H,172,217)(H,173,211)(H,174,223)(H,175,215)(H,176,222)(H,177,227)(H,178,226)(H,179,229)(H,180,216)(H,181,205)(H,182,219)(H,183,218)(H,184,199)(H,185,204)(H,186,224)(H,187,220)(H,188,221)(H,200,201)(H,202,203)(H,230,231)(H4,154,155,159)(H4,156,157,160)
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20n/an/an/an/an/an/an/an/a



Université Libre de Bruxelles

Curated by PDSP Ki Database




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


()
BDBM82361
PNG
(PACAP(2-27))
Show SMILES CCC(C)[C@H](NC(=O)CNC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](N)CO)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/C137H219N37O38S/c1-16-73(10)109(171-104(183)65-150-116(193)91(48-50-105(184)185)154-115(192)85(141)66-175)134(211)167-99(60-78-28-18-17-19-29-78)129(206)174-110(77(14)178)135(212)168-100(64-106(186)187)128(205)170-102(68-177)131(208)166-98(63-81-39-45-84(181)46-40-81)127(204)169-101(67-176)130(207)158-90(34-27-56-149-137(146)147)122(199)164-96(61-79-35-41-82(179)42-36-79)125(202)157-89(33-26-55-148-136(144)145)120(197)155-86(30-20-23-52-138)118(195)159-92(47-49-103(142)182)123(200)160-93(51-57-213-15)117(194)152-76(13)114(191)172-107(71(6)7)132(209)161-88(32-22-25-54-140)119(196)156-87(31-21-24-53-139)121(198)165-97(62-80-37-43-83(180)44-38-80)126(203)163-95(59-70(4)5)124(201)153-74(11)112(189)151-75(12)113(190)173-108(72(8)9)133(210)162-94(111(143)188)58-69(2)3/h17-19,28-29,35-46,69-77,85-102,107-110,175-181H,16,20-27,30-34,47-68,138-141H2,1-15H3,(H2,142,182)(H2,143,188)(H,150,193)(H,151,189)(H,152,194)(H,153,201)(H,154,192)(H,155,197)(H,156,196)(H,157,202)(H,158,207)(H,159,195)(H,160,200)(H,161,209)(H,162,210)(H,163,203)(H,164,199)(H,165,198)(H,166,208)(H,167,211)(H,168,212)(H,169,204)(H,170,205)(H,171,183)(H,172,191)(H,173,190)(H,174,206)(H,184,185)(H,186,187)(H4,144,145,148)(H4,146,147,149)/t73?,74-,75-,76-,77+,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,107-,108-,109-,110-/m0/s1
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20n/an/an/an/an/an/an/an/a



Université Libre de Bruxelles

Curated by PDSP Ki Database




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


(RAT)
BDBM82356
PNG
(PACAP(2-38))
Show SMILES CCC(C)[C@H](NC(=O)CNC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](N)CO)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/C197H324N60O52S/c1-18-106(12)157(253-151(270)97-223-165(281)143(94-152(271)272)241-163(279)120(205)98-258)192(308)249-141(88-111-40-20-19-21-41-111)186(302)257-158(110(16)261)193(309)250-144(95-153(273)274)185(301)252-146(100-260)188(304)246-140(92-115-59-67-119(265)68-60-115)183(299)251-145(99-259)187(303)235-130(51-38-83-220-196(214)215)175(291)244-138(90-113-55-63-117(263)64-56-113)181(297)234-128(49-36-81-218-194(210)211)171(287)229-123(44-24-31-76-200)168(284)237-133(70-72-148(207)267)177(293)238-134(73-85-310-17)166(282)225-109(15)162(278)254-154(103(6)7)189(305)239-126(47-27-34-79-203)170(286)230-125(46-26-33-78-202)172(288)245-139(91-114-57-65-118(264)66-58-114)182(298)242-136(87-102(4)5)179(295)226-107(13)160(276)224-108(14)161(277)255-155(104(8)9)191(307)248-135(86-101(2)3)164(280)222-96-150(269)227-122(43-23-30-75-199)167(283)231-129(50-37-82-219-195(212)213)174(290)243-137(89-112-53-61-116(262)62-54-112)180(296)233-124(45-25-32-77-201)169(285)236-132(69-71-147(206)266)176(292)232-131(52-39-84-221-197(216)217)178(294)256-156(105(10)11)190(306)240-127(48-28-35-80-204)173(289)247-142(93-149(208)268)184(300)228-121(159(209)275)42-22-29-74-198/h19-21,40-41,53-68,101-110,120-146,154-158,258-265H,18,22-39,42-52,69-100,198-205H2,1-17H3,(H2,206,266)(H2,207,267)(H2,208,268)(H2,209,275)(H,222,280)(H,223,281)(H,224,276)(H,225,282)(H,226,295)(H,227,269)(H,228,300)(H,229,287)(H,230,286)(H,231,283)(H,232,292)(H,233,296)(H,234,297)(H,235,303)(H,236,285)(H,237,284)(H,238,293)(H,239,305)(H,240,306)(H,241,279)(H,242,298)(H,243,290)(H,244,291)(H,245,288)(H,246,304)(H,247,289)(H,248,307)(H,249,308)(H,250,309)(H,251,299)(H,252,301)(H,253,270)(H,254,278)(H,255,277)(H,256,294)(H,257,302)(H,271,272)(H,273,274)(H4,210,211,218)(H4,212,213,219)(H4,214,215,220)(H4,216,217,221)/t106?,107-,108-,109-,110+,120-,121-,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-,154-,155-,156-,157-,158-/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



Université Libre de Bruxelles

Curated by PDSP Ki Database




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


(RAT)
BDBM82361
PNG
(PACAP(2-27))
Show SMILES CCC(C)[C@H](NC(=O)CNC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](N)CO)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/C137H219N37O38S/c1-16-73(10)109(171-104(183)65-150-116(193)91(48-50-105(184)185)154-115(192)85(141)66-175)134(211)167-99(60-78-28-18-17-19-29-78)129(206)174-110(77(14)178)135(212)168-100(64-106(186)187)128(205)170-102(68-177)131(208)166-98(63-81-39-45-84(181)46-40-81)127(204)169-101(67-176)130(207)158-90(34-27-56-149-137(146)147)122(199)164-96(61-79-35-41-82(179)42-36-79)125(202)157-89(33-26-55-148-136(144)145)120(197)155-86(30-20-23-52-138)118(195)159-92(47-49-103(142)182)123(200)160-93(51-57-213-15)117(194)152-76(13)114(191)172-107(71(6)7)132(209)161-88(32-22-25-54-140)119(196)156-87(31-21-24-53-139)121(198)165-97(62-80-37-43-83(180)44-38-80)126(203)163-95(59-70(4)5)124(201)153-74(11)112(189)151-75(12)113(190)173-108(72(8)9)133(210)162-94(111(143)188)58-69(2)3/h17-19,28-29,35-46,69-77,85-102,107-110,175-181H,16,20-27,30-34,47-68,138-141H2,1-15H3,(H2,142,182)(H2,143,188)(H,150,193)(H,151,189)(H,152,194)(H,153,201)(H,154,192)(H,155,197)(H,156,196)(H,157,202)(H,158,207)(H,159,195)(H,160,200)(H,161,209)(H,162,210)(H,163,203)(H,164,199)(H,165,198)(H,166,208)(H,167,211)(H,168,212)(H,169,204)(H,170,205)(H,171,183)(H,172,191)(H,173,190)(H,174,206)(H,184,185)(H,186,187)(H4,144,145,148)(H4,146,147,149)/t73?,74-,75-,76-,77+,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,107-,108-,109-,110-/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



Université Libre de Bruxelles

Curated by PDSP Ki Database




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


()
BDBM82357
PNG
([Tyr13]VIP)
Show SMILES CCC(C)C(NC(=O)C(CO)NC(=O)C(CC(N)=O)NC(=O)C(CC(C)C)NC(=O)C(Cc1ccc(O)cc1)NC(=O)C(CCCCN)NC(=O)C(CCCCN)NC(=O)C(NC(=O)C(C)NC(=O)C(CCSC)NC(=O)C(CCC(N)=O)NC(=O)C(CCCCN)NC(=O)C(CCCN=C(N)N)NC(=O)C(CCc1ccc(O)cc1)NC(=O)C(CCCN=C(N)N)NC(=O)C(NC(=O)C(Cc1ccc(O)cc1)NC(=O)C(CC(O)=O)NC(=O)C(CC(O)=O)NC(=O)C(NC(=O)C(Cc1ccccc1)NC(=O)C(NC(=O)C(C)NC(=O)C(CC(O)=O)NC(=O)C(CO)NC(=O)C(N)Cc1cnc[nH]1)C(C)C)C(C)O)C(C)O)C(C)C)C(=O)NC(CC(C)C)C(=O)NC(CC(N)=O)C(O)=O
Show InChI InChI=1S/C151H237N42O46S/c1-16-77(10)119(146(233)183-100(59-74(4)5)135(222)186-108(149(236)237)65-113(158)203)191-143(230)110(71-195)188-137(224)104(64-112(157)202)180-134(221)99(58-73(2)3)177-136(223)101(61-84-37-44-88(199)45-38-84)178-130(217)92(31-21-24-53-153)170-127(214)93(32-22-25-54-154)175-144(231)117(75(6)7)189-122(209)78(11)167-125(212)98(51-57-240-15)174-132(219)97(49-50-111(156)201)173-126(213)91(30-20-23-52-152)169-128(215)94(33-26-55-164-150(159)160)171-131(218)96(48-41-82-35-42-87(198)43-36-82)172-129(216)95(34-27-56-165-151(161)162)176-147(234)120(80(13)196)192-140(227)102(62-85-39-46-89(200)47-40-85)179-139(226)107(68-116(208)239-238)182-138(225)106(67-115(206)207)185-148(235)121(81(14)197)193-141(228)103(60-83-28-18-17-19-29-83)184-145(232)118(76(8)9)190-123(210)79(12)168-133(220)105(66-114(204)205)181-142(229)109(70-194)187-124(211)90(155)63-86-69-163-72-166-86/h17-19,28-29,35-40,42-47,69,72-81,90-110,117-121,194-200,238-239H,16,20-27,30-34,41,48-68,70-71,152-155H2,1-15H3,(H2,156,201)(H2,157,202)(H2,158,203)(H,163,166)(H,167,212)(H,168,220)(H,169,215)(H,170,214)(H,171,218)(H,172,216)(H,173,213)(H,174,219)(H,175,231)(H,176,234)(H,177,223)(H,178,217)(H,179,226)(H,180,221)(H,181,229)(H,182,225)(H,183,233)(H,184,232)(H,185,235)(H,186,222)(H,187,211)(H,188,224)(H,189,209)(H,190,210)(H,191,230)(H,192,227)(H,193,228)(H,204,205)(H,206,207)(H,236,237)(H4,159,160,164)(H4,161,162,165)
UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

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



Université Libre de Bruxelles

Curated by PDSP Ki Database




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


(RAT)
BDBM82361
PNG
(PACAP(2-27))
Show SMILES CCC(C)[C@H](NC(=O)CNC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](N)CO)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/C137H219N37O38S/c1-16-73(10)109(171-104(183)65-150-116(193)91(48-50-105(184)185)154-115(192)85(141)66-175)134(211)167-99(60-78-28-18-17-19-29-78)129(206)174-110(77(14)178)135(212)168-100(64-106(186)187)128(205)170-102(68-177)131(208)166-98(63-81-39-45-84(181)46-40-81)127(204)169-101(67-176)130(207)158-90(34-27-56-149-137(146)147)122(199)164-96(61-79-35-41-82(179)42-36-79)125(202)157-89(33-26-55-148-136(144)145)120(197)155-86(30-20-23-52-138)118(195)159-92(47-49-103(142)182)123(200)160-93(51-57-213-15)117(194)152-76(13)114(191)172-107(71(6)7)132(209)161-88(32-22-25-54-140)119(196)156-87(31-21-24-53-139)121(198)165-97(62-80-37-43-83(180)44-38-80)126(203)163-95(59-70(4)5)124(201)153-74(11)112(189)151-75(12)113(190)173-108(72(8)9)133(210)162-94(111(143)188)58-69(2)3/h17-19,28-29,35-46,69-77,85-102,107-110,175-181H,16,20-27,30-34,47-68,138-141H2,1-15H3,(H2,142,182)(H2,143,188)(H,150,193)(H,151,189)(H,152,194)(H,153,201)(H,154,192)(H,155,197)(H,156,196)(H,157,202)(H,158,207)(H,159,195)(H,160,200)(H,161,209)(H,162,210)(H,163,203)(H,164,199)(H,165,198)(H,166,208)(H,167,211)(H,168,212)(H,169,204)(H,170,205)(H,171,183)(H,172,191)(H,173,190)(H,174,206)(H,184,185)(H,186,187)(H4,144,145,148)(H4,146,147,149)/t73?,74-,75-,76-,77+,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,107-,108-,109-,110-/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



Université Libre de Bruxelles

Curated by PDSP Ki Database




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


()
BDBM82359
PNG
([Ser9]VIP)
Show SMILES CCC(C)C(NC(=O)C(CO)NC(=O)C(CC(N)=O)NC(=O)C(CC(C)C)NC(=O)C(Cc1ccc(O)cc1)NC(=O)C(CCCCN)NC(=O)C(CCCCN)NC(=O)C(NC(=O)C(C)NC(=O)C(CCSC)NC(=O)C(CCC(N)=O)NC(=O)C(CCCCN)NC(=O)C(CCCN=C(N)N)NC(=O)C(CC(C)C)NC(=O)C(CCCN=C(N)N)NC(=O)C(NC(=O)C(Cc1ccc(O)cc1)NC(=O)C(CO)NC(=O)C(CC(O)=O)NC(=O)C(NC(=O)C(Cc1ccccc1)NC(=O)C(NC(=O)C(C)NC(=O)C(CC(O)=O)NC(=O)C(CO)NC(=O)C(N)Cc1cnc[nH]1)C(C)C)C(C)O)C(C)O)C(C)C)C(=O)NC(CC(C)C)C(=O)NC(CC(N)=O)C(O)=O
Show InChI InChI=1S/C146H236N42O43S/c1-18-75(12)114(141(227)177-96(56-72(6)7)130(216)180-103(144(230)231)62-109(153)198)186-138(224)106(68-191)183-132(218)100(61-108(152)197)175-129(215)95(55-71(4)5)172-131(217)97(58-81-37-41-84(194)42-38-81)173-124(210)88(33-23-26-49-148)165-122(208)89(34-24-27-50-149)169-139(225)112(73(8)9)184-117(203)76(13)162-120(206)93(47-53-232-17)168-126(212)92(45-46-107(151)196)167-121(207)87(32-22-25-48-147)164-123(209)90(35-28-51-159-145(154)155)166-128(214)94(54-70(2)3)171-125(211)91(36-29-52-160-146(156)157)170-142(228)115(78(15)192)187-134(220)98(59-82-39-43-85(195)44-40-82)174-137(223)105(67-190)182-133(219)102(64-111(201)202)179-143(229)116(79(16)193)188-135(221)99(57-80-30-20-19-21-31-80)178-140(226)113(74(10)11)185-118(204)77(14)163-127(213)101(63-110(199)200)176-136(222)104(66-189)181-119(205)86(150)60-83-65-158-69-161-83/h19-21,30-31,37-44,65,69-79,86-106,112-116,189-195H,18,22-29,32-36,45-64,66-68,147-150H2,1-17H3,(H2,151,196)(H2,152,197)(H2,153,198)(H,158,161)(H,162,206)(H,163,213)(H,164,209)(H,165,208)(H,166,214)(H,167,207)(H,168,212)(H,169,225)(H,170,228)(H,171,211)(H,172,217)(H,173,210)(H,174,223)(H,175,215)(H,176,222)(H,177,227)(H,178,226)(H,179,229)(H,180,216)(H,181,205)(H,182,219)(H,183,218)(H,184,203)(H,185,204)(H,186,224)(H,187,220)(H,188,221)(H,199,200)(H,201,202)(H,230,231)(H4,154,155,159)(H4,156,157,160)
UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PubMed
50n/an/an/an/an/an/an/an/a



Université Libre de Bruxelles

Curated by PDSP Ki Database




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


(RAT)
BDBM82360
PNG
([Ser9,Tyr13]VIP)
Show SMILES CCC(C)C(NC(=O)C(CO)NC(=O)C(CC(N)=O)NC(=O)C(CC(C)C)NC(=O)C(Cc1ccc(O)cc1)NC(=O)C(CCCCN)NC(=O)C(CCCCN)NC(=O)C(NC(=O)C(C)NC(=O)C(CCSC)NC(=O)C(CCC(N)=O)NC(=O)C(CCCCN)NC(=O)C(CCCN=C(N)N)NC(=O)C(Cc1ccc(O)cc1)NC(=O)C(CCCN=C(N)N)NC(=O)C(NC(=O)C(Cc1ccc(O)cc1)NC(=O)C(CO)NC(=O)C(CC(O)=O)NC(=O)C(NC(=O)C(Cc1ccccc1)NC(=O)C(NC(=O)C(C)NC(=O)C(CC(O)=O)NC(=O)C(CO)NC(=O)C(N)Cc1cnc[nH]1)C(C)C)C(C)O)C(C)O)C(C)C)C(=O)NC(CC(C)C)C(=O)NC(CC(N)=O)C(O)=O
Show InChI InChI=1S/C149H234N42O44S/c1-16-76(10)117(144(231)180-98(57-73(4)5)132(219)183-106(147(234)235)64-112(156)202)189-141(228)109(70-194)186-135(222)103(63-111(155)201)178-131(218)97(56-72(2)3)174-134(221)100(60-83-37-43-87(198)44-38-83)176-127(214)91(31-21-24-51-151)168-125(212)92(32-22-25-52-152)172-142(229)115(74(6)7)187-120(207)77(11)165-123(210)96(49-55-236-15)171-129(216)95(47-48-110(154)200)170-124(211)90(30-20-23-50-150)167-126(213)93(33-26-53-162-148(157)158)169-133(220)99(59-82-35-41-86(197)42-36-82)175-128(215)94(34-27-54-163-149(159)160)173-145(232)118(79(13)195)190-137(224)101(61-84-39-45-88(199)46-40-84)177-140(227)108(69-193)185-136(223)105(66-114(205)206)182-146(233)119(80(14)196)191-138(225)102(58-81-28-18-17-19-29-81)181-143(230)116(75(8)9)188-121(208)78(12)166-130(217)104(65-113(203)204)179-139(226)107(68-192)184-122(209)89(153)62-85-67-161-71-164-85/h17-19,28-29,35-46,67,71-80,89-109,115-119,192-199H,16,20-27,30-34,47-66,68-70,150-153H2,1-15H3,(H2,154,200)(H2,155,201)(H2,156,202)(H,161,164)(H,165,210)(H,166,217)(H,167,213)(H,168,212)(H,169,220)(H,170,211)(H,171,216)(H,172,229)(H,173,232)(H,174,221)(H,175,215)(H,176,214)(H,177,227)(H,178,218)(H,179,226)(H,180,231)(H,181,230)(H,182,233)(H,183,219)(H,184,209)(H,185,223)(H,186,222)(H,187,207)(H,188,208)(H,189,228)(H,190,224)(H,191,225)(H,203,204)(H,205,206)(H,234,235)(H4,157,158,162)(H4,159,160,163)
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100n/an/an/an/an/an/an/an/a



Université Libre de Bruxelles

Curated by PDSP Ki Database




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


()
BDBM82362
PNG
(VIP-PACAP)
Show SMILES CSCCC(NC(=O)C(CCC(N)=O)NC(=O)C(CCCCN)NC(=O)C(CCCN=C(N)N)NC(=O)C(CC(C)C)NC(=O)C(CCCN=C(N)N)NC(=O)C(NC(=O)C(Cc1ccc(O)cc1)NC(=O)C(CC(N)=O)NC(=O)C(CC(O)=O)NC(=O)C(NC(=O)C(Cc1ccccc1)NC(=O)C(NC(=O)C(C)NC(=O)C(CC(O)=O)NC(=O)C(CO)NC(=O)C(N)Cc1cnc[nH]1)C(C)C)C(C)O)C(C)O)C(=O)NC(C)C(=O)NC(C(C)C)C(=O)NC(CCCCN)C(=O)NC(CCCCN)C(=O)NC(Cc1ccc(O)cc1)C(=O)NC(CC(C)C)C(=O)NC(C)C(=O)NC(C)C(=O)NC(C(C)C)C(=O)NC(CC(C)C)C(N)=O
Show InChI InChI=1S/C141H229N41O38S/c1-68(2)55-94(113(148)194)168-136(217)109(72(9)10)179-115(196)75(14)157-114(195)74(13)159-126(207)95(56-69(3)4)170-129(210)97(59-81-38-42-84(186)43-39-81)171-123(204)88(34-24-27-50-143)162-121(202)89(35-25-28-51-144)166-135(216)108(71(7)8)178-116(197)76(15)158-119(200)93(48-54-221-19)165-125(206)92(46-47-104(146)188)164-120(201)87(33-23-26-49-142)161-122(203)90(36-29-52-154-140(149)150)163-128(209)96(57-70(5)6)169-124(205)91(37-30-53-155-141(151)152)167-138(219)111(78(17)184)181-132(213)98(60-82-40-44-85(187)45-41-82)172-130(211)100(62-105(147)189)173-131(212)102(64-107(192)193)176-139(220)112(79(18)185)182-133(214)99(58-80-31-21-20-22-32-80)175-137(218)110(73(11)12)180-117(198)77(16)160-127(208)101(63-106(190)191)174-134(215)103(66-183)177-118(199)86(145)61-83-65-153-67-156-83/h20-22,31-32,38-45,65,67-79,86-103,108-112,183-187H,23-30,33-37,46-64,66,142-145H2,1-19H3,(H2,146,188)(H2,147,189)(H2,148,194)(H,153,156)(H,157,195)(H,158,200)(H,159,207)(H,160,208)(H,161,203)(H,162,202)(H,163,209)(H,164,201)(H,165,206)(H,166,216)(H,167,219)(H,168,217)(H,169,205)(H,170,210)(H,171,204)(H,172,211)(H,173,212)(H,174,215)(H,175,218)(H,176,220)(H,177,199)(H,178,197)(H,179,196)(H,180,198)(H,181,213)(H,182,214)(H,190,191)(H,192,193)(H4,149,150,154)(H4,151,152,155)
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100n/an/an/an/an/an/an/an/a



Université Libre de Bruxelles

Curated by PDSP Ki Database




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


()
BDBM81828
PNG
(CAS_37221-79-7 | VIP(4-28) | Vasoactive intestinal...)
Show SMILES CCC(C)C(NC(=O)C(CO)NC(=O)C(CC(N)=O)NC(=O)C(CC(C)C)NC(=O)C(Cc1ccc(O)cc1)NC(=O)C(CCCCN)NC(=O)C(CCCCN)NC(=O)C(NC(=O)C(C)NC(=O)C(CCSC)NC(=O)C(CCC(N)=O)NC(=O)C(CCCCN)NC(=O)C(CCCN=C(N)N)NC(=O)C(CC(C)C)NC(=O)C(CCCN=C(N)N)NC(=O)C(NC(=O)C(Cc1ccc(O)cc1)NC(=O)C(CC(N)=O)NC(=O)C(CC(O)=O)NC(=O)C(NC(=O)C(Cc1ccccc1)NC(=O)C(NC(=O)C(C)NC(=O)C(CC(O)=O)NC(=O)C(CO)NC(=O)C(N)Cc1cnc[nH]1)C(C)C)C(C)O)C(C)O)C(C)C)C(=O)NC(CC(C)C)C(=O)NC(CC(N)=O)C(O)=O
Show InChI InChI=1S/C147H237N43O43S/c1-18-75(12)115(142(229)180-96(56-72(6)7)131(218)183-104(145(232)233)63-110(155)200)188-139(226)106(68-192)185-134(221)101(62-109(154)199)177-130(217)95(55-71(4)5)174-132(219)97(58-81-37-41-84(195)42-38-81)175-125(212)88(33-23-26-49-149)167-123(210)89(34-24-27-50-150)171-140(227)113(73(8)9)186-118(205)76(13)164-121(208)93(47-53-234-17)170-127(214)92(45-46-107(152)197)169-122(209)87(32-22-25-48-148)166-124(211)90(35-28-51-161-146(156)157)168-129(216)94(54-70(2)3)173-126(213)91(36-29-52-162-147(158)159)172-143(230)116(78(15)193)189-136(223)98(59-82-39-43-85(196)44-40-82)176-133(220)100(61-108(153)198)178-135(222)103(65-112(203)204)182-144(231)117(79(16)194)190-137(224)99(57-80-30-20-19-21-31-80)181-141(228)114(74(10)11)187-119(206)77(14)165-128(215)102(64-111(201)202)179-138(225)105(67-191)184-120(207)86(151)60-83-66-160-69-163-83/h19-21,30-31,37-44,66,69-79,86-106,113-117,191-196H,18,22-29,32-36,45-65,67-68,148-151H2,1-17H3,(H2,152,197)(H2,153,198)(H2,154,199)(H2,155,200)(H,160,163)(H,164,208)(H,165,215)(H,166,211)(H,167,210)(H,168,216)(H,169,209)(H,170,214)(H,171,227)(H,172,230)(H,173,213)(H,174,219)(H,175,212)(H,176,220)(H,177,217)(H,178,222)(H,179,225)(H,180,229)(H,181,228)(H,182,231)(H,183,218)(H,184,207)(H,185,221)(H,186,205)(H,187,206)(H,188,226)(H,189,223)(H,190,224)(H,201,202)(H,203,204)(H,232,233)(H4,156,157,161)(H4,158,159,162)
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150n/an/an/an/an/an/an/an/a



Université Libre de Bruxelles

Curated by PDSP Ki Database




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


(RAT)
BDBM82358
PNG
(PACAP-VIP)
Show SMILES CCC(C)C(NC(=O)CNC(=O)C(CC(O)=O)NC(=O)C(CO)NC(=O)C(N)Cc1cnc[nH]1)C(=O)NC(Cc1ccccc1)C(=O)NC(C(C)O)C(=O)NC(CC(O)=O)C(=O)NC(CO)C(=O)NC(Cc1ccc(O)cc1)C(=O)NC(C(C)O)C(=O)NC(CCCN=C(N)N)C(=O)NC(CC(C)C)C(=O)NC(CCCN=C(N)N)C(=O)NC(CCCCN)C(=O)NC(CCC(N)=O)C(=O)NC(CCSC)C(=O)NC(C)C(=O)NC(C(C)C)C(=O)NC(CCCCN)C(=O)NC(CCCCN)C(=O)NC(Cc1ccc(O)cc1)C(=O)NC(CC(C)C)C(=O)NC(CC(N)=O)C(=O)NC(CO)C(=O)NC(C(C)CC)C(=O)NC(CC(C)C)C(=O)NC(CC(N)=O)C(O)=O
Show InChI InChI=1S/C146H236N42O43S/c1-17-75(11)114(184-110(199)66-161-120(206)101(63-111(200)201)176-136(222)104(67-189)181-119(205)86(150)60-83-65-158-70-162-83)140(226)178-99(57-80-30-20-19-21-31-80)135(221)188-117(79(15)193)143(229)179-102(64-112(202)203)133(219)182-105(68-190)137(223)174-98(59-82-39-43-85(195)44-40-82)134(220)187-116(78(14)192)142(228)170-91(36-29-52-160-146(156)157)126(212)171-94(54-71(3)4)128(214)166-90(35-28-51-159-145(154)155)124(210)164-87(32-22-25-48-147)122(208)167-92(45-46-107(151)196)127(213)168-93(47-53-232-16)121(207)163-77(13)118(204)185-113(74(9)10)139(225)169-89(34-24-27-50-149)123(209)165-88(33-23-26-49-148)125(211)173-97(58-81-37-41-84(194)42-38-81)131(217)172-95(55-72(5)6)129(215)175-100(61-108(152)197)132(218)183-106(69-191)138(224)186-115(76(12)18-2)141(227)177-96(56-73(7)8)130(216)180-103(144(230)231)62-109(153)198/h19-21,30-31,37-44,65,70-79,86-106,113-117,189-195H,17-18,22-29,32-36,45-64,66-69,147-150H2,1-16H3,(H2,151,196)(H2,152,197)(H2,153,198)(H,158,162)(H,161,206)(H,163,207)(H,164,210)(H,165,209)(H,166,214)(H,167,208)(H,168,213)(H,169,225)(H,170,228)(H,171,212)(H,172,217)(H,173,211)(H,174,223)(H,175,215)(H,176,222)(H,177,227)(H,178,226)(H,179,229)(H,180,216)(H,181,205)(H,182,219)(H,183,218)(H,184,199)(H,185,204)(H,186,224)(H,187,220)(H,188,221)(H,200,201)(H,202,203)(H,230,231)(H4,154,155,159)(H4,156,157,160)
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150n/an/an/an/an/an/an/an/a



Université Libre de Bruxelles

Curated by PDSP Ki Database




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


(RAT)
BDBM82359
PNG
([Ser9]VIP)
Show SMILES CCC(C)C(NC(=O)C(CO)NC(=O)C(CC(N)=O)NC(=O)C(CC(C)C)NC(=O)C(Cc1ccc(O)cc1)NC(=O)C(CCCCN)NC(=O)C(CCCCN)NC(=O)C(NC(=O)C(C)NC(=O)C(CCSC)NC(=O)C(CCC(N)=O)NC(=O)C(CCCCN)NC(=O)C(CCCN=C(N)N)NC(=O)C(CC(C)C)NC(=O)C(CCCN=C(N)N)NC(=O)C(NC(=O)C(Cc1ccc(O)cc1)NC(=O)C(CO)NC(=O)C(CC(O)=O)NC(=O)C(NC(=O)C(Cc1ccccc1)NC(=O)C(NC(=O)C(C)NC(=O)C(CC(O)=O)NC(=O)C(CO)NC(=O)C(N)Cc1cnc[nH]1)C(C)C)C(C)O)C(C)O)C(C)C)C(=O)NC(CC(C)C)C(=O)NC(CC(N)=O)C(O)=O
Show InChI InChI=1S/C146H236N42O43S/c1-18-75(12)114(141(227)177-96(56-72(6)7)130(216)180-103(144(230)231)62-109(153)198)186-138(224)106(68-191)183-132(218)100(61-108(152)197)175-129(215)95(55-71(4)5)172-131(217)97(58-81-37-41-84(194)42-38-81)173-124(210)88(33-23-26-49-148)165-122(208)89(34-24-27-50-149)169-139(225)112(73(8)9)184-117(203)76(13)162-120(206)93(47-53-232-17)168-126(212)92(45-46-107(151)196)167-121(207)87(32-22-25-48-147)164-123(209)90(35-28-51-159-145(154)155)166-128(214)94(54-70(2)3)171-125(211)91(36-29-52-160-146(156)157)170-142(228)115(78(15)192)187-134(220)98(59-82-39-43-85(195)44-40-82)174-137(223)105(67-190)182-133(219)102(64-111(201)202)179-143(229)116(79(16)193)188-135(221)99(57-80-30-20-19-21-31-80)178-140(226)113(74(10)11)185-118(204)77(14)163-127(213)101(63-110(199)200)176-136(222)104(66-189)181-119(205)86(150)60-83-65-158-69-161-83/h19-21,30-31,37-44,65,69-79,86-106,112-116,189-195H,18,22-29,32-36,45-64,66-68,147-150H2,1-17H3,(H2,151,196)(H2,152,197)(H2,153,198)(H,158,161)(H,162,206)(H,163,213)(H,164,209)(H,165,208)(H,166,214)(H,167,207)(H,168,212)(H,169,225)(H,170,228)(H,171,211)(H,172,217)(H,173,210)(H,174,223)(H,175,215)(H,176,222)(H,177,227)(H,178,226)(H,179,229)(H,180,216)(H,181,205)(H,182,219)(H,183,218)(H,184,203)(H,185,204)(H,186,224)(H,187,220)(H,188,221)(H,199,200)(H,201,202)(H,230,231)(H4,154,155,159)(H4,156,157,160)
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200n/an/an/an/an/an/an/an/a



Université Libre de Bruxelles

Curated by PDSP Ki Database




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


(RAT)
BDBM82357
PNG
([Tyr13]VIP)
Show SMILES CCC(C)C(NC(=O)C(CO)NC(=O)C(CC(N)=O)NC(=O)C(CC(C)C)NC(=O)C(Cc1ccc(O)cc1)NC(=O)C(CCCCN)NC(=O)C(CCCCN)NC(=O)C(NC(=O)C(C)NC(=O)C(CCSC)NC(=O)C(CCC(N)=O)NC(=O)C(CCCCN)NC(=O)C(CCCN=C(N)N)NC(=O)C(CCc1ccc(O)cc1)NC(=O)C(CCCN=C(N)N)NC(=O)C(NC(=O)C(Cc1ccc(O)cc1)NC(=O)C(CC(O)=O)NC(=O)C(CC(O)=O)NC(=O)C(NC(=O)C(Cc1ccccc1)NC(=O)C(NC(=O)C(C)NC(=O)C(CC(O)=O)NC(=O)C(CO)NC(=O)C(N)Cc1cnc[nH]1)C(C)C)C(C)O)C(C)O)C(C)C)C(=O)NC(CC(C)C)C(=O)NC(CC(N)=O)C(O)=O
Show InChI InChI=1S/C151H237N42O46S/c1-16-77(10)119(146(233)183-100(59-74(4)5)135(222)186-108(149(236)237)65-113(158)203)191-143(230)110(71-195)188-137(224)104(64-112(157)202)180-134(221)99(58-73(2)3)177-136(223)101(61-84-37-44-88(199)45-38-84)178-130(217)92(31-21-24-53-153)170-127(214)93(32-22-25-54-154)175-144(231)117(75(6)7)189-122(209)78(11)167-125(212)98(51-57-240-15)174-132(219)97(49-50-111(156)201)173-126(213)91(30-20-23-52-152)169-128(215)94(33-26-55-164-150(159)160)171-131(218)96(48-41-82-35-42-87(198)43-36-82)172-129(216)95(34-27-56-165-151(161)162)176-147(234)120(80(13)196)192-140(227)102(62-85-39-46-89(200)47-40-85)179-139(226)107(68-116(208)239-238)182-138(225)106(67-115(206)207)185-148(235)121(81(14)197)193-141(228)103(60-83-28-18-17-19-29-83)184-145(232)118(76(8)9)190-123(210)79(12)168-133(220)105(66-114(204)205)181-142(229)109(70-194)187-124(211)90(155)63-86-69-163-72-166-86/h17-19,28-29,35-40,42-47,69,72-81,90-110,117-121,194-200,238-239H,16,20-27,30-34,41,48-68,70-71,152-155H2,1-15H3,(H2,156,201)(H2,157,202)(H2,158,203)(H,163,166)(H,167,212)(H,168,220)(H,169,215)(H,170,214)(H,171,218)(H,172,216)(H,173,213)(H,174,219)(H,175,231)(H,176,234)(H,177,223)(H,178,217)(H,179,226)(H,180,221)(H,181,229)(H,182,225)(H,183,233)(H,184,232)(H,185,235)(H,186,222)(H,187,211)(H,188,224)(H,189,209)(H,190,210)(H,191,230)(H,192,227)(H,193,228)(H,204,205)(H,206,207)(H,236,237)(H4,159,160,164)(H4,161,162,165)
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300n/an/an/an/an/an/an/an/a



Université Libre de Bruxelles

Curated by PDSP Ki Database




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


(RAT)
BDBM82362
PNG
(VIP-PACAP)
Show SMILES CSCCC(NC(=O)C(CCC(N)=O)NC(=O)C(CCCCN)NC(=O)C(CCCN=C(N)N)NC(=O)C(CC(C)C)NC(=O)C(CCCN=C(N)N)NC(=O)C(NC(=O)C(Cc1ccc(O)cc1)NC(=O)C(CC(N)=O)NC(=O)C(CC(O)=O)NC(=O)C(NC(=O)C(Cc1ccccc1)NC(=O)C(NC(=O)C(C)NC(=O)C(CC(O)=O)NC(=O)C(CO)NC(=O)C(N)Cc1cnc[nH]1)C(C)C)C(C)O)C(C)O)C(=O)NC(C)C(=O)NC(C(C)C)C(=O)NC(CCCCN)C(=O)NC(CCCCN)C(=O)NC(Cc1ccc(O)cc1)C(=O)NC(CC(C)C)C(=O)NC(C)C(=O)NC(C)C(=O)NC(C(C)C)C(=O)NC(CC(C)C)C(N)=O
Show InChI InChI=1S/C141H229N41O38S/c1-68(2)55-94(113(148)194)168-136(217)109(72(9)10)179-115(196)75(14)157-114(195)74(13)159-126(207)95(56-69(3)4)170-129(210)97(59-81-38-42-84(186)43-39-81)171-123(204)88(34-24-27-50-143)162-121(202)89(35-25-28-51-144)166-135(216)108(71(7)8)178-116(197)76(15)158-119(200)93(48-54-221-19)165-125(206)92(46-47-104(146)188)164-120(201)87(33-23-26-49-142)161-122(203)90(36-29-52-154-140(149)150)163-128(209)96(57-70(5)6)169-124(205)91(37-30-53-155-141(151)152)167-138(219)111(78(17)184)181-132(213)98(60-82-40-44-85(187)45-41-82)172-130(211)100(62-105(147)189)173-131(212)102(64-107(192)193)176-139(220)112(79(18)185)182-133(214)99(58-80-31-21-20-22-32-80)175-137(218)110(73(11)12)180-117(198)77(16)160-127(208)101(63-106(190)191)174-134(215)103(66-183)177-118(199)86(145)61-83-65-153-67-156-83/h20-22,31-32,38-45,65,67-79,86-103,108-112,183-187H,23-30,33-37,46-64,66,142-145H2,1-19H3,(H2,146,188)(H2,147,189)(H2,148,194)(H,153,156)(H,157,195)(H,158,200)(H,159,207)(H,160,208)(H,161,203)(H,162,202)(H,163,209)(H,164,201)(H,165,206)(H,166,216)(H,167,219)(H,168,217)(H,169,205)(H,170,210)(H,171,204)(H,172,211)(H,173,212)(H,174,215)(H,175,218)(H,176,220)(H,177,199)(H,178,197)(H,179,196)(H,180,198)(H,181,213)(H,182,214)(H,190,191)(H,192,193)(H4,149,150,154)(H4,151,152,155)
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300n/an/an/an/an/an/an/an/a



Université Libre de Bruxelles

Curated by PDSP Ki Database




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


(RAT)
BDBM82361
PNG
(PACAP(2-27))
Show SMILES CCC(C)[C@H](NC(=O)CNC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](N)CO)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/C137H219N37O38S/c1-16-73(10)109(171-104(183)65-150-116(193)91(48-50-105(184)185)154-115(192)85(141)66-175)134(211)167-99(60-78-28-18-17-19-29-78)129(206)174-110(77(14)178)135(212)168-100(64-106(186)187)128(205)170-102(68-177)131(208)166-98(63-81-39-45-84(181)46-40-81)127(204)169-101(67-176)130(207)158-90(34-27-56-149-137(146)147)122(199)164-96(61-79-35-41-82(179)42-36-79)125(202)157-89(33-26-55-148-136(144)145)120(197)155-86(30-20-23-52-138)118(195)159-92(47-49-103(142)182)123(200)160-93(51-57-213-15)117(194)152-76(13)114(191)172-107(71(6)7)132(209)161-88(32-22-25-54-140)119(196)156-87(31-21-24-53-139)121(198)165-97(62-80-37-43-83(180)44-38-80)126(203)163-95(59-70(4)5)124(201)153-74(11)112(189)151-75(12)113(190)173-108(72(8)9)133(210)162-94(111(143)188)58-69(2)3/h17-19,28-29,35-46,69-77,85-102,107-110,175-181H,16,20-27,30-34,47-68,138-141H2,1-15H3,(H2,142,182)(H2,143,188)(H,150,193)(H,151,189)(H,152,194)(H,153,201)(H,154,192)(H,155,197)(H,156,196)(H,157,202)(H,158,207)(H,159,195)(H,160,200)(H,161,209)(H,162,210)(H,163,203)(H,164,199)(H,165,198)(H,166,208)(H,167,211)(H,168,212)(H,169,204)(H,170,205)(H,171,183)(H,172,191)(H,173,190)(H,174,206)(H,184,185)(H,186,187)(H4,144,145,148)(H4,146,147,149)/t73?,74-,75-,76-,77+,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,107-,108-,109-,110-/m0/s1
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400n/an/an/an/an/an/an/an/a



Université Libre de Bruxelles

Curated by PDSP Ki Database




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


(RAT)
BDBM82360
PNG
([Ser9,Tyr13]VIP)
Show SMILES CCC(C)C(NC(=O)C(CO)NC(=O)C(CC(N)=O)NC(=O)C(CC(C)C)NC(=O)C(Cc1ccc(O)cc1)NC(=O)C(CCCCN)NC(=O)C(CCCCN)NC(=O)C(NC(=O)C(C)NC(=O)C(CCSC)NC(=O)C(CCC(N)=O)NC(=O)C(CCCCN)NC(=O)C(CCCN=C(N)N)NC(=O)C(Cc1ccc(O)cc1)NC(=O)C(CCCN=C(N)N)NC(=O)C(NC(=O)C(Cc1ccc(O)cc1)NC(=O)C(CO)NC(=O)C(CC(O)=O)NC(=O)C(NC(=O)C(Cc1ccccc1)NC(=O)C(NC(=O)C(C)NC(=O)C(CC(O)=O)NC(=O)C(CO)NC(=O)C(N)Cc1cnc[nH]1)C(C)C)C(C)O)C(C)O)C(C)C)C(=O)NC(CC(C)C)C(=O)NC(CC(N)=O)C(O)=O
Show InChI InChI=1S/C149H234N42O44S/c1-16-76(10)117(144(231)180-98(57-73(4)5)132(219)183-106(147(234)235)64-112(156)202)189-141(228)109(70-194)186-135(222)103(63-111(155)201)178-131(218)97(56-72(2)3)174-134(221)100(60-83-37-43-87(198)44-38-83)176-127(214)91(31-21-24-51-151)168-125(212)92(32-22-25-52-152)172-142(229)115(74(6)7)187-120(207)77(11)165-123(210)96(49-55-236-15)171-129(216)95(47-48-110(154)200)170-124(211)90(30-20-23-50-150)167-126(213)93(33-26-53-162-148(157)158)169-133(220)99(59-82-35-41-86(197)42-36-82)175-128(215)94(34-27-54-163-149(159)160)173-145(232)118(79(13)195)190-137(224)101(61-84-39-45-88(199)46-40-84)177-140(227)108(69-193)185-136(223)105(66-114(205)206)182-146(233)119(80(14)196)191-138(225)102(58-81-28-18-17-19-29-81)181-143(230)116(75(8)9)188-121(208)78(12)166-130(217)104(65-113(203)204)179-139(226)107(68-192)184-122(209)89(153)62-85-67-161-71-164-85/h17-19,28-29,35-46,67,71-80,89-109,115-119,192-199H,16,20-27,30-34,47-66,68-70,150-153H2,1-15H3,(H2,154,200)(H2,155,201)(H2,156,202)(H,161,164)(H,165,210)(H,166,217)(H,167,213)(H,168,212)(H,169,220)(H,170,211)(H,171,216)(H,172,229)(H,173,232)(H,174,221)(H,175,215)(H,176,214)(H,177,227)(H,178,218)(H,179,226)(H,180,231)(H,181,230)(H,182,233)(H,183,219)(H,184,209)(H,185,223)(H,186,222)(H,187,207)(H,188,208)(H,189,228)(H,190,224)(H,191,225)(H,203,204)(H,205,206)(H,234,235)(H4,157,158,162)(H4,159,160,163)
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500n/an/an/an/an/an/an/an/a



Université Libre de Bruxelles

Curated by PDSP Ki Database




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


(RAT)
BDBM82359
PNG
([Ser9]VIP)
Show SMILES CCC(C)C(NC(=O)C(CO)NC(=O)C(CC(N)=O)NC(=O)C(CC(C)C)NC(=O)C(Cc1ccc(O)cc1)NC(=O)C(CCCCN)NC(=O)C(CCCCN)NC(=O)C(NC(=O)C(C)NC(=O)C(CCSC)NC(=O)C(CCC(N)=O)NC(=O)C(CCCCN)NC(=O)C(CCCN=C(N)N)NC(=O)C(CC(C)C)NC(=O)C(CCCN=C(N)N)NC(=O)C(NC(=O)C(Cc1ccc(O)cc1)NC(=O)C(CO)NC(=O)C(CC(O)=O)NC(=O)C(NC(=O)C(Cc1ccccc1)NC(=O)C(NC(=O)C(C)NC(=O)C(CC(O)=O)NC(=O)C(CO)NC(=O)C(N)Cc1cnc[nH]1)C(C)C)C(C)O)C(C)O)C(C)C)C(=O)NC(CC(C)C)C(=O)NC(CC(N)=O)C(O)=O
Show InChI InChI=1S/C146H236N42O43S/c1-18-75(12)114(141(227)177-96(56-72(6)7)130(216)180-103(144(230)231)62-109(153)198)186-138(224)106(68-191)183-132(218)100(61-108(152)197)175-129(215)95(55-71(4)5)172-131(217)97(58-81-37-41-84(194)42-38-81)173-124(210)88(33-23-26-49-148)165-122(208)89(34-24-27-50-149)169-139(225)112(73(8)9)184-117(203)76(13)162-120(206)93(47-53-232-17)168-126(212)92(45-46-107(151)196)167-121(207)87(32-22-25-48-147)164-123(209)90(35-28-51-159-145(154)155)166-128(214)94(54-70(2)3)171-125(211)91(36-29-52-160-146(156)157)170-142(228)115(78(15)192)187-134(220)98(59-82-39-43-85(195)44-40-82)174-137(223)105(67-190)182-133(219)102(64-111(201)202)179-143(229)116(79(16)193)188-135(221)99(57-80-30-20-19-21-31-80)178-140(226)113(74(10)11)185-118(204)77(14)163-127(213)101(63-110(199)200)176-136(222)104(66-189)181-119(205)86(150)60-83-65-158-69-161-83/h19-21,30-31,37-44,65,69-79,86-106,112-116,189-195H,18,22-29,32-36,45-64,66-68,147-150H2,1-17H3,(H2,151,196)(H2,152,197)(H2,153,198)(H,158,161)(H,162,206)(H,163,213)(H,164,209)(H,165,208)(H,166,214)(H,167,207)(H,168,212)(H,169,225)(H,170,228)(H,171,211)(H,172,217)(H,173,210)(H,174,223)(H,175,215)(H,176,222)(H,177,227)(H,178,226)(H,179,229)(H,180,216)(H,181,205)(H,182,219)(H,183,218)(H,184,203)(H,185,204)(H,186,224)(H,187,220)(H,188,221)(H,199,200)(H,201,202)(H,230,231)(H4,154,155,159)(H4,156,157,160)
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1.00E+3n/an/an/an/an/an/an/an/a



Université Libre de Bruxelles

Curated by PDSP Ki Database




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


(RAT)
BDBM81828
PNG
(CAS_37221-79-7 | VIP(4-28) | Vasoactive intestinal...)
Show SMILES CCC(C)C(NC(=O)C(CO)NC(=O)C(CC(N)=O)NC(=O)C(CC(C)C)NC(=O)C(Cc1ccc(O)cc1)NC(=O)C(CCCCN)NC(=O)C(CCCCN)NC(=O)C(NC(=O)C(C)NC(=O)C(CCSC)NC(=O)C(CCC(N)=O)NC(=O)C(CCCCN)NC(=O)C(CCCN=C(N)N)NC(=O)C(CC(C)C)NC(=O)C(CCCN=C(N)N)NC(=O)C(NC(=O)C(Cc1ccc(O)cc1)NC(=O)C(CC(N)=O)NC(=O)C(CC(O)=O)NC(=O)C(NC(=O)C(Cc1ccccc1)NC(=O)C(NC(=O)C(C)NC(=O)C(CC(O)=O)NC(=O)C(CO)NC(=O)C(N)Cc1cnc[nH]1)C(C)C)C(C)O)C(C)O)C(C)C)C(=O)NC(CC(C)C)C(=O)NC(CC(N)=O)C(O)=O
Show InChI InChI=1S/C147H237N43O43S/c1-18-75(12)115(142(229)180-96(56-72(6)7)131(218)183-104(145(232)233)63-110(155)200)188-139(226)106(68-192)185-134(221)101(62-109(154)199)177-130(217)95(55-71(4)5)174-132(219)97(58-81-37-41-84(195)42-38-81)175-125(212)88(33-23-26-49-149)167-123(210)89(34-24-27-50-150)171-140(227)113(73(8)9)186-118(205)76(13)164-121(208)93(47-53-234-17)170-127(214)92(45-46-107(152)197)169-122(209)87(32-22-25-48-148)166-124(211)90(35-28-51-161-146(156)157)168-129(216)94(54-70(2)3)173-126(213)91(36-29-52-162-147(158)159)172-143(230)116(78(15)193)189-136(223)98(59-82-39-43-85(196)44-40-82)176-133(220)100(61-108(153)198)178-135(222)103(65-112(203)204)182-144(231)117(79(16)194)190-137(224)99(57-80-30-20-19-21-31-80)181-141(228)114(74(10)11)187-119(206)77(14)165-128(215)102(64-111(201)202)179-138(225)105(67-191)184-120(207)86(151)60-83-66-160-69-163-83/h19-21,30-31,37-44,66,69-79,86-106,113-117,191-196H,18,22-29,32-36,45-65,67-68,148-151H2,1-17H3,(H2,152,197)(H2,153,198)(H2,154,199)(H2,155,200)(H,160,163)(H,164,208)(H,165,215)(H,166,211)(H,167,210)(H,168,216)(H,169,209)(H,170,214)(H,171,227)(H,172,230)(H,173,213)(H,174,219)(H,175,212)(H,176,220)(H,177,217)(H,178,222)(H,179,225)(H,180,229)(H,181,228)(H,182,231)(H,183,218)(H,184,207)(H,185,221)(H,186,205)(H,187,206)(H,188,226)(H,189,223)(H,190,224)(H,201,202)(H,203,204)(H,232,233)(H4,156,157,161)(H4,158,159,162)
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1.00E+3n/an/an/an/an/an/an/an/a



Université Libre de Bruxelles

Curated by PDSP Ki Database




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


(RAT)
BDBM82362
PNG
(VIP-PACAP)
Show SMILES CSCCC(NC(=O)C(CCC(N)=O)NC(=O)C(CCCCN)NC(=O)C(CCCN=C(N)N)NC(=O)C(CC(C)C)NC(=O)C(CCCN=C(N)N)NC(=O)C(NC(=O)C(Cc1ccc(O)cc1)NC(=O)C(CC(N)=O)NC(=O)C(CC(O)=O)NC(=O)C(NC(=O)C(Cc1ccccc1)NC(=O)C(NC(=O)C(C)NC(=O)C(CC(O)=O)NC(=O)C(CO)NC(=O)C(N)Cc1cnc[nH]1)C(C)C)C(C)O)C(C)O)C(=O)NC(C)C(=O)NC(C(C)C)C(=O)NC(CCCCN)C(=O)NC(CCCCN)C(=O)NC(Cc1ccc(O)cc1)C(=O)NC(CC(C)C)C(=O)NC(C)C(=O)NC(C)C(=O)NC(C(C)C)C(=O)NC(CC(C)C)C(N)=O
Show InChI InChI=1S/C141H229N41O38S/c1-68(2)55-94(113(148)194)168-136(217)109(72(9)10)179-115(196)75(14)157-114(195)74(13)159-126(207)95(56-69(3)4)170-129(210)97(59-81-38-42-84(186)43-39-81)171-123(204)88(34-24-27-50-143)162-121(202)89(35-25-28-51-144)166-135(216)108(71(7)8)178-116(197)76(15)158-119(200)93(48-54-221-19)165-125(206)92(46-47-104(146)188)164-120(201)87(33-23-26-49-142)161-122(203)90(36-29-52-154-140(149)150)163-128(209)96(57-70(5)6)169-124(205)91(37-30-53-155-141(151)152)167-138(219)111(78(17)184)181-132(213)98(60-82-40-44-85(187)45-41-82)172-130(211)100(62-105(147)189)173-131(212)102(64-107(192)193)176-139(220)112(79(18)185)182-133(214)99(58-80-31-21-20-22-32-80)175-137(218)110(73(11)12)180-117(198)77(16)160-127(208)101(63-106(190)191)174-134(215)103(66-183)177-118(199)86(145)61-83-65-153-67-156-83/h20-22,31-32,38-45,65,67-79,86-103,108-112,183-187H,23-30,33-37,46-64,66,142-145H2,1-19H3,(H2,146,188)(H2,147,189)(H2,148,194)(H,153,156)(H,157,195)(H,158,200)(H,159,207)(H,160,208)(H,161,203)(H,162,202)(H,163,209)(H,164,201)(H,165,206)(H,166,216)(H,167,219)(H,168,217)(H,169,205)(H,170,210)(H,171,204)(H,172,211)(H,173,212)(H,174,215)(H,175,218)(H,176,220)(H,177,199)(H,178,197)(H,179,196)(H,180,198)(H,181,213)(H,182,214)(H,190,191)(H,192,193)(H4,149,150,154)(H4,151,152,155)
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2.00E+3n/an/an/an/an/an/an/an/a



Université Libre de Bruxelles

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


(RAT)
BDBM82357
PNG
([Tyr13]VIP)
Show SMILES CCC(C)C(NC(=O)C(CO)NC(=O)C(CC(N)=O)NC(=O)C(CC(C)C)NC(=O)C(Cc1ccc(O)cc1)NC(=O)C(CCCCN)NC(=O)C(CCCCN)NC(=O)C(NC(=O)C(C)NC(=O)C(CCSC)NC(=O)C(CCC(N)=O)NC(=O)C(CCCCN)NC(=O)C(CCCN=C(N)N)NC(=O)C(CCc1ccc(O)cc1)NC(=O)C(CCCN=C(N)N)NC(=O)C(NC(=O)C(Cc1ccc(O)cc1)NC(=O)C(CC(O)=O)NC(=O)C(CC(O)=O)NC(=O)C(NC(=O)C(Cc1ccccc1)NC(=O)C(NC(=O)C(C)NC(=O)C(CC(O)=O)NC(=O)C(CO)NC(=O)C(N)Cc1cnc[nH]1)C(C)C)C(C)O)C(C)O)C(C)C)C(=O)NC(CC(C)C)C(=O)NC(CC(N)=O)C(O)=O
Show InChI InChI=1S/C151H237N42O46S/c1-16-77(10)119(146(233)183-100(59-74(4)5)135(222)186-108(149(236)237)65-113(158)203)191-143(230)110(71-195)188-137(224)104(64-112(157)202)180-134(221)99(58-73(2)3)177-136(223)101(61-84-37-44-88(199)45-38-84)178-130(217)92(31-21-24-53-153)170-127(214)93(32-22-25-54-154)175-144(231)117(75(6)7)189-122(209)78(11)167-125(212)98(51-57-240-15)174-132(219)97(49-50-111(156)201)173-126(213)91(30-20-23-52-152)169-128(215)94(33-26-55-164-150(159)160)171-131(218)96(48-41-82-35-42-87(198)43-36-82)172-129(216)95(34-27-56-165-151(161)162)176-147(234)120(80(13)196)192-140(227)102(62-85-39-46-89(200)47-40-85)179-139(226)107(68-116(208)239-238)182-138(225)106(67-115(206)207)185-148(235)121(81(14)197)193-141(228)103(60-83-28-18-17-19-29-83)184-145(232)118(76(8)9)190-123(210)79(12)168-133(220)105(66-114(204)205)181-142(229)109(70-194)187-124(211)90(155)63-86-69-163-72-166-86/h17-19,28-29,35-40,42-47,69,72-81,90-110,117-121,194-200,238-239H,16,20-27,30-34,41,48-68,70-71,152-155H2,1-15H3,(H2,156,201)(H2,157,202)(H2,158,203)(H,163,166)(H,167,212)(H,168,220)(H,169,215)(H,170,214)(H,171,218)(H,172,216)(H,173,213)(H,174,219)(H,175,231)(H,176,234)(H,177,223)(H,178,217)(H,179,226)(H,180,221)(H,181,229)(H,182,225)(H,183,233)(H,184,232)(H,185,235)(H,186,222)(H,187,211)(H,188,224)(H,189,209)(H,190,210)(H,191,230)(H,192,227)(H,193,228)(H,204,205)(H,206,207)(H,236,237)(H4,159,160,164)(H4,161,162,165)
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PC cid
PC sid
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PubMed
2.00E+3n/an/an/an/an/an/an/an/a



Université Libre de Bruxelles

Curated by PDSP Ki Database




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More data for this
Ligand-Target Pair
VIP


(RAT)
BDBM81828
PNG
(CAS_37221-79-7 | VIP(4-28) | Vasoactive intestinal...)
Show SMILES CCC(C)C(NC(=O)C(CO)NC(=O)C(CC(N)=O)NC(=O)C(CC(C)C)NC(=O)C(Cc1ccc(O)cc1)NC(=O)C(CCCCN)NC(=O)C(CCCCN)NC(=O)C(NC(=O)C(C)NC(=O)C(CCSC)NC(=O)C(CCC(N)=O)NC(=O)C(CCCCN)NC(=O)C(CCCN=C(N)N)NC(=O)C(CC(C)C)NC(=O)C(CCCN=C(N)N)NC(=O)C(NC(=O)C(Cc1ccc(O)cc1)NC(=O)C(CC(N)=O)NC(=O)C(CC(O)=O)NC(=O)C(NC(=O)C(Cc1ccccc1)NC(=O)C(NC(=O)C(C)NC(=O)C(CC(O)=O)NC(=O)C(CO)NC(=O)C(N)Cc1cnc[nH]1)C(C)C)C(C)O)C(C)O)C(C)C)C(=O)NC(CC(C)C)C(=O)NC(CC(N)=O)C(O)=O
Show InChI InChI=1S/C147H237N43O43S/c1-18-75(12)115(142(229)180-96(56-72(6)7)131(218)183-104(145(232)233)63-110(155)200)188-139(226)106(68-192)185-134(221)101(62-109(154)199)177-130(217)95(55-71(4)5)174-132(219)97(58-81-37-41-84(195)42-38-81)175-125(212)88(33-23-26-49-149)167-123(210)89(34-24-27-50-150)171-140(227)113(73(8)9)186-118(205)76(13)164-121(208)93(47-53-234-17)170-127(214)92(45-46-107(152)197)169-122(209)87(32-22-25-48-148)166-124(211)90(35-28-51-161-146(156)157)168-129(216)94(54-70(2)3)173-126(213)91(36-29-52-162-147(158)159)172-143(230)116(78(15)193)189-136(223)98(59-82-39-43-85(196)44-40-82)176-133(220)100(61-108(153)198)178-135(222)103(65-112(203)204)182-144(231)117(79(16)194)190-137(224)99(57-80-30-20-19-21-31-80)181-141(228)114(74(10)11)187-119(206)77(14)165-128(215)102(64-111(201)202)179-138(225)105(67-191)184-120(207)86(151)60-83-66-160-69-163-83/h19-21,30-31,37-44,66,69-79,86-106,113-117,191-196H,18,22-29,32-36,45-65,67-68,148-151H2,1-17H3,(H2,152,197)(H2,153,198)(H2,154,199)(H2,155,200)(H,160,163)(H,164,208)(H,165,215)(H,166,211)(H,167,210)(H,168,216)(H,169,209)(H,170,214)(H,171,227)(H,172,230)(H,173,213)(H,174,219)(H,175,212)(H,176,220)(H,177,217)(H,178,222)(H,179,225)(H,180,229)(H,181,228)(H,182,231)(H,183,218)(H,184,207)(H,185,221)(H,186,205)(H,187,206)(H,188,226)(H,189,223)(H,190,224)(H,201,202)(H,203,204)(H,232,233)(H4,156,157,161)(H4,158,159,162)
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PubMed
3.00E+3n/an/an/an/an/an/an/an/a



Université Libre de Bruxelles

Curated by PDSP Ki Database




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