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Compile Data Set for Download or QSAR

Found 18 hits Enz. Inhib. hit(s) with Target = 'Vasoactive intestinal polypeptide receptor 1' AND taxid = 9606   
Target
(Institution)
LigandTarget
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
VIPR1


()
BDBM50435130
PNG
(CHEMBL1893324)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1cnc[nH]1)C(C)C)[C@@H](C)O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(N)=O
Show InChI InChI=1S/C147H238N44O42S/c1-18-75(12)115(143(231)182-97(56-72(6)7)131(219)174-94(118(156)206)61-108(153)199)189-140(228)106(68-193)186-135(223)102(63-110(155)201)179-132(220)96(55-71(4)5)176-133(221)98(58-81-37-41-84(196)42-38-81)177-126(214)88(33-23-26-49-149)168-124(212)89(34-24-27-50-150)172-141(229)113(73(8)9)187-119(207)76(13)165-122(210)93(47-53-234-17)171-128(216)92(45-46-107(152)198)170-123(211)87(32-22-25-48-148)167-125(213)90(35-28-51-162-146(157)158)169-130(218)95(54-70(2)3)175-127(215)91(36-29-52-163-147(159)160)173-144(232)116(78(15)194)190-137(225)99(59-82-39-43-85(197)44-40-82)178-134(222)101(62-109(154)200)180-136(224)104(65-112(204)205)184-145(233)117(79(16)195)191-138(226)100(57-80-30-20-19-21-31-80)183-142(230)114(74(10)11)188-120(208)77(14)166-129(217)103(64-111(202)203)181-139(227)105(67-192)185-121(209)86(151)60-83-66-161-69-164-83/h19-21,30-31,37-44,66,69-79,86-106,113-117,192-197H,18,22-29,32-36,45-65,67-68,148-151H2,1-17H3,(H2,152,198)(H2,153,199)(H2,154,200)(H2,155,201)(H2,156,206)(H,161,164)(H,165,210)(H,166,217)(H,167,213)(H,168,212)(H,169,218)(H,170,211)(H,171,216)(H,172,229)(H,173,232)(H,174,219)(H,175,215)(H,176,221)(H,177,214)(H,178,222)(H,179,220)(H,180,224)(H,181,227)(H,182,231)(H,183,230)(H,184,233)(H,185,209)(H,186,223)(H,187,207)(H,188,208)(H,189,228)(H,190,225)(H,191,226)(H,202,203)(H,204,205)(H4,157,158,162)(H4,159,160,163)/t75-,76-,77-,78+,79+,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,113-,114-,115-,116-,117-/m0/s1
UniProtKB/SwissProt

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CHEMBL
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0.0670n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Binding affinity to human VPAC1 receptor by radioligand displacement assay


Eur J Med Chem 63: 85-94 (2013)

More data for this
Ligand-Target Pair
VIPR1


()
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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0.200n/an/an/an/an/an/an/an/a



NIH

Curated by PDSP Ki Database




J Pharmacol Exp Ther 303: 445-60 (2002)

More data for this
Ligand-Target Pair
VIPR1


()
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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1.60n/an/an/an/an/an/an/an/a



NIH

Curated by PDSP Ki Database




J Pharmacol Exp Ther 303: 445-60 (2002)

More data for this
Ligand-Target Pair
VIPR1


()
BDBM86051
PNG
(CAS_0 | NSC_0 | [Lys15, Arg16, Leu27]VIP(1-7)GRF(8...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN=C(N)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1cnc[nH]1)C(C)C)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CC(C)C)C(N)=O
Show InChI InChI=1S/C144H244N44O38/c1-20-78(16)113(140(225)173-95(115(151)200)56-71(2)3)187-134(219)103(65-110(198)199)178-124(209)93(46-48-107(149)194)171-128(213)96(57-72(4)5)176-130(215)97(58-73(6)7)174-122(207)88(37-25-29-51-146)166-120(205)91(40-32-54-160-143(154)155)165-116(201)79(17)164-135(220)104(67-189)184-131(216)98(59-74(8)9)175-123(208)89(39-27-31-53-159-142(152)153)167-119(204)87(36-24-28-50-145)169-129(214)99(60-75(10)11)180-139(224)112(77(14)15)186-126(211)90(38-26-30-52-147)168-121(206)92(41-33-55-161-144(156)157)170-132(217)100(62-83-42-44-85(193)45-43-83)177-137(222)106(69-191)183-125(210)94(47-49-108(150)195)172-141(226)114(81(19)192)188-133(218)101(61-82-34-22-21-23-35-82)181-138(223)111(76(12)13)185-117(202)80(18)163-127(212)102(64-109(196)197)179-136(221)105(68-190)182-118(203)86(148)63-84-66-158-70-162-84/h21-23,34-35,42-45,66,70-81,86-106,111-114,189-193H,20,24-33,36-41,46-65,67-69,145-148H2,1-19H3,(H2,149,194)(H2,150,195)(H2,151,200)(H,158,162)(H,163,212)(H,164,220)(H,165,201)(H,166,205)(H,167,204)(H,168,206)(H,169,214)(H,170,217)(H,171,213)(H,172,226)(H,173,225)(H,174,207)(H,175,208)(H,176,215)(H,177,222)(H,178,209)(H,179,221)(H,180,224)(H,181,223)(H,182,203)(H,183,210)(H,184,216)(H,185,202)(H,186,211)(H,187,219)(H,188,218)(H,196,197)(H,198,199)(H4,152,153,159)(H4,154,155,160)(H4,156,157,161)/t78-,79-,80-,81+,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,111-,112-,113-,114-/m0/s1
UniProtKB/SwissProt

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1.70n/an/an/an/an/an/an/an/a



NIH

Curated by PDSP Ki Database




J Pharmacol Exp Ther 303: 445-60 (2002)

More data for this
Ligand-Target Pair
VIPR1


()
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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1.70n/an/an/an/an/an/an/an/a



NIH

Curated by PDSP Ki Database




J Pharmacol Exp Ther 303: 445-60 (2002)

More data for this
Ligand-Target Pair
VIPR1


()
BDBM86051
PNG
(CAS_0 | NSC_0 | [Lys15, Arg16, Leu27]VIP(1-7)GRF(8...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN=C(N)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1cnc[nH]1)C(C)C)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CC(C)C)C(N)=O
Show InChI InChI=1S/C144H244N44O38/c1-20-78(16)113(140(225)173-95(115(151)200)56-71(2)3)187-134(219)103(65-110(198)199)178-124(209)93(46-48-107(149)194)171-128(213)96(57-72(4)5)176-130(215)97(58-73(6)7)174-122(207)88(37-25-29-51-146)166-120(205)91(40-32-54-160-143(154)155)165-116(201)79(17)164-135(220)104(67-189)184-131(216)98(59-74(8)9)175-123(208)89(39-27-31-53-159-142(152)153)167-119(204)87(36-24-28-50-145)169-129(214)99(60-75(10)11)180-139(224)112(77(14)15)186-126(211)90(38-26-30-52-147)168-121(206)92(41-33-55-161-144(156)157)170-132(217)100(62-83-42-44-85(193)45-43-83)177-137(222)106(69-191)183-125(210)94(47-49-108(150)195)172-141(226)114(81(19)192)188-133(218)101(61-82-34-22-21-23-35-82)181-138(223)111(76(12)13)185-117(202)80(18)163-127(212)102(64-109(196)197)179-136(221)105(68-190)182-118(203)86(148)63-84-66-158-70-162-84/h21-23,34-35,42-45,66,70-81,86-106,111-114,189-193H,20,24-33,36-41,46-65,67-69,145-148H2,1-19H3,(H2,149,194)(H2,150,195)(H2,151,200)(H,158,162)(H,163,212)(H,164,220)(H,165,201)(H,166,205)(H,167,204)(H,168,206)(H,169,214)(H,170,217)(H,171,213)(H,172,226)(H,173,225)(H,174,207)(H,175,208)(H,176,215)(H,177,222)(H,178,209)(H,179,221)(H,180,224)(H,181,223)(H,182,203)(H,183,210)(H,184,216)(H,185,202)(H,186,211)(H,187,219)(H,188,218)(H,196,197)(H,198,199)(H4,152,153,159)(H4,154,155,160)(H4,156,157,161)/t78-,79-,80-,81+,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,111-,112-,113-,114-/m0/s1
UniProtKB/SwissProt

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7.70n/an/an/an/an/an/an/an/a



NIH

Curated by PDSP Ki Database




J Pharmacol Exp Ther 303: 445-60 (2002)

More data for this
Ligand-Target Pair
VIPR1


()
BDBM86051
PNG
(CAS_0 | NSC_0 | [Lys15, Arg16, Leu27]VIP(1-7)GRF(8...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN=C(N)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1cnc[nH]1)C(C)C)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CC(C)C)C(N)=O
Show InChI InChI=1S/C144H244N44O38/c1-20-78(16)113(140(225)173-95(115(151)200)56-71(2)3)187-134(219)103(65-110(198)199)178-124(209)93(46-48-107(149)194)171-128(213)96(57-72(4)5)176-130(215)97(58-73(6)7)174-122(207)88(37-25-29-51-146)166-120(205)91(40-32-54-160-143(154)155)165-116(201)79(17)164-135(220)104(67-189)184-131(216)98(59-74(8)9)175-123(208)89(39-27-31-53-159-142(152)153)167-119(204)87(36-24-28-50-145)169-129(214)99(60-75(10)11)180-139(224)112(77(14)15)186-126(211)90(38-26-30-52-147)168-121(206)92(41-33-55-161-144(156)157)170-132(217)100(62-83-42-44-85(193)45-43-83)177-137(222)106(69-191)183-125(210)94(47-49-108(150)195)172-141(226)114(81(19)192)188-133(218)101(61-82-34-22-21-23-35-82)181-138(223)111(76(12)13)185-117(202)80(18)163-127(212)102(64-109(196)197)179-136(221)105(68-190)182-118(203)86(148)63-84-66-158-70-162-84/h21-23,34-35,42-45,66,70-81,86-106,111-114,189-193H,20,24-33,36-41,46-65,67-69,145-148H2,1-19H3,(H2,149,194)(H2,150,195)(H2,151,200)(H,158,162)(H,163,212)(H,164,220)(H,165,201)(H,166,205)(H,167,204)(H,168,206)(H,169,214)(H,170,217)(H,171,213)(H,172,226)(H,173,225)(H,174,207)(H,175,208)(H,176,215)(H,177,222)(H,178,209)(H,179,221)(H,180,224)(H,181,223)(H,182,203)(H,183,210)(H,184,216)(H,185,202)(H,186,211)(H,187,219)(H,188,218)(H,196,197)(H,198,199)(H4,152,153,159)(H4,154,155,160)(H4,156,157,161)/t78-,79-,80-,81+,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,111-,112-,113-,114-/m0/s1
UniProtKB/SwissProt

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8.90n/an/an/an/an/an/an/an/a



NIH

Curated by PDSP Ki Database




J Pharmacol Exp Ther 303: 445-60 (2002)

More data for this
Ligand-Target Pair
VIPR1


()
BDBM86050
PNG
(Ac-L-His-L-Ser-L-Asp-L-Ala-L-Val-L-Phe-L-Thr-L-Glu...)
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](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)C(NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1cnc[nH]1)NC(C)=O)C(C)C)[C@@H](C)O)[C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H](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](CC(N)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)NCC(=O)N[C@@H](C(C)O)C(N)=O
Show InChI InChI=1S/C159H258N46O47S/c1-79(2)63-106(191-141(235)101(40-25-31-60-165)189-157(251)128(87(13)208)204-153(247)110(68-92-44-48-95(212)49-45-92)195-150(244)113(70-119(167)214)196-143(237)104(51-53-123(218)219)190-158(252)129(88(14)209)205-154(248)111(66-90-33-18-17-19-34-90)200-156(250)126(82(7)8)203-133(227)85(11)179-144(238)115(72-124(220)221)199-155(249)117(77-206)201-149(243)112(180-89(15)210)69-93-74-172-78-176-93)145(239)186-102(41-32-61-173-159(170)171)139(233)183-98(37-22-28-57-162)138(232)187-103(50-52-118(166)213)142(236)188-105(54-62-253-16)135(229)178-83(9)131(225)177-84(10)132(226)181-97(36-21-27-56-161)136(230)184-100(39-24-30-59-164)140(234)194-109(67-91-42-46-94(211)47-43-91)148(242)192-108(65-81(5)6)147(241)197-114(71-120(168)215)151(245)198-116(73-125(222)223)152(246)193-107(64-80(3)4)146(240)185-99(38-23-29-58-163)137(231)182-96(35-20-26-55-160)134(228)175-75-121(216)174-76-122(217)202-127(86(12)207)130(169)224/h17-19,33-34,42-49,74,78-88,96-117,126-129,206-209,211-212H,20-32,35-41,50-73,75-77,160-165H2,1-16H3,(H2,166,213)(H2,167,214)(H2,168,215)(H2,169,224)(H,172,176)(H,174,216)(H,175,228)(H,177,225)(H,178,229)(H,179,238)(H,180,210)(H,181,226)(H,182,231)(H,183,233)(H,184,230)(H,185,240)(H,186,239)(H,187,232)(H,188,236)(H,189,251)(H,190,252)(H,191,235)(H,192,242)(H,193,246)(H,194,234)(H,195,244)(H,196,237)(H,197,241)(H,198,245)(H,199,249)(H,200,250)(H,201,243)(H,202,217)(H,203,227)(H,204,247)(H,205,248)(H,218,219)(H,220,221)(H,222,223)(H4,170,171,173)/t83-,84-,85-,86?,87+,88+,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,126-,127-,128?,129-/m0/s1
UniProtKB/SwissProt

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1.02E+3n/an/an/an/an/an/an/an/a



NIH

Curated by PDSP Ki Database




J Pharmacol Exp Ther 303: 445-60 (2002)

More data for this
Ligand-Target Pair
VIPR1


()
BDBM86050
PNG
(Ac-L-His-L-Ser-L-Asp-L-Ala-L-Val-L-Phe-L-Thr-L-Glu...)
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](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)C(NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1cnc[nH]1)NC(C)=O)C(C)C)[C@@H](C)O)[C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H](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](CC(N)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)NCC(=O)N[C@@H](C(C)O)C(N)=O
Show InChI InChI=1S/C159H258N46O47S/c1-79(2)63-106(191-141(235)101(40-25-31-60-165)189-157(251)128(87(13)208)204-153(247)110(68-92-44-48-95(212)49-45-92)195-150(244)113(70-119(167)214)196-143(237)104(51-53-123(218)219)190-158(252)129(88(14)209)205-154(248)111(66-90-33-18-17-19-34-90)200-156(250)126(82(7)8)203-133(227)85(11)179-144(238)115(72-124(220)221)199-155(249)117(77-206)201-149(243)112(180-89(15)210)69-93-74-172-78-176-93)145(239)186-102(41-32-61-173-159(170)171)139(233)183-98(37-22-28-57-162)138(232)187-103(50-52-118(166)213)142(236)188-105(54-62-253-16)135(229)178-83(9)131(225)177-84(10)132(226)181-97(36-21-27-56-161)136(230)184-100(39-24-30-59-164)140(234)194-109(67-91-42-46-94(211)47-43-91)148(242)192-108(65-81(5)6)147(241)197-114(71-120(168)215)151(245)198-116(73-125(222)223)152(246)193-107(64-80(3)4)146(240)185-99(38-23-29-58-163)137(231)182-96(35-20-26-55-160)134(228)175-75-121(216)174-76-122(217)202-127(86(12)207)130(169)224/h17-19,33-34,42-49,74,78-88,96-117,126-129,206-209,211-212H,20-32,35-41,50-73,75-77,160-165H2,1-16H3,(H2,166,213)(H2,167,214)(H2,168,215)(H2,169,224)(H,172,176)(H,174,216)(H,175,228)(H,177,225)(H,178,229)(H,179,238)(H,180,210)(H,181,226)(H,182,231)(H,183,233)(H,184,230)(H,185,240)(H,186,239)(H,187,232)(H,188,236)(H,189,251)(H,190,252)(H,191,235)(H,192,242)(H,193,246)(H,194,234)(H,195,244)(H,196,237)(H,197,241)(H,198,245)(H,199,249)(H,200,250)(H,201,243)(H,202,217)(H,203,227)(H,204,247)(H,205,248)(H,218,219)(H,220,221)(H,222,223)(H4,170,171,173)/t83-,84-,85-,86?,87+,88+,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,126-,127-,128?,129-/m0/s1
UniProtKB/SwissProt

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1.20E+3n/an/an/an/an/an/an/an/a



NIH

Curated by PDSP Ki Database




J Pharmacol Exp Ther 303: 445-60 (2002)

More data for this
Ligand-Target Pair
VIPR1


()
BDBM50122872
PNG
(4-Amino-5-chloro-2,3-dihydro-benzofuran-7-carboxyl...)
Show SMILES COCCCN1CCC(CC1)NC(=O)c1cc(Cl)c(N)c2CCOc12
Show InChI InChI=1S/C18H26ClN3O3/c1-24-9-2-6-22-7-3-12(4-8-22)21-18(23)14-11-15(19)16(20)13-5-10-25-17(13)14/h11-12H,2-10,20H2,1H3,(H,21,23)
UniProtKB/SwissProt

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



Janssen Research Foundation

Curated by PDSP Ki Database




Eur J Pharmacol 423: 71-83 (2001)

More data for this
Ligand-Target Pair
VIPR1


()
BDBM86694
PNG
(N'-(3-Chloro-4-morpholinophenyl)-N-hydroxyform...)
Show SMILES ONC=Nc1ccc(N2CCOCC2)c(Cl)c1
Show InChI InChI=1S/C11H14ClN3O2/c12-10-7-9(13-8-14-16)1-2-11(10)15-3-5-17-6-4-15/h1-2,7-8,16H,3-6H2,(H,13,14)
UniProtKB/SwissProt

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



Taisho Pharmaceutical Co., Ltd

Curated by PDSP Ki Database




J Pharmacol Exp Ther 314: 77-85 (2005)

More data for this
Ligand-Target Pair
VIPR1


()
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
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n/an/a 0.0500n/an/an/an/an/an/a



Institute of Organic Synthesis

Curated by ChEMBL


Assay Description
Binding affinity to human VPAC1 receptor by radioligand displacement assay


Bioorg Med Chem 21: 2764-71 (2013)

More data for this
Ligand-Target Pair
VIPR1


()
BDBM50435130
PNG
(CHEMBL1893324)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1cnc[nH]1)C(C)C)[C@@H](C)O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(N)=O
Show InChI InChI=1S/C147H238N44O42S/c1-18-75(12)115(143(231)182-97(56-72(6)7)131(219)174-94(118(156)206)61-108(153)199)189-140(228)106(68-193)186-135(223)102(63-110(155)201)179-132(220)96(55-71(4)5)176-133(221)98(58-81-37-41-84(196)42-38-81)177-126(214)88(33-23-26-49-149)168-124(212)89(34-24-27-50-150)172-141(229)113(73(8)9)187-119(207)76(13)165-122(210)93(47-53-234-17)171-128(216)92(45-46-107(152)198)170-123(211)87(32-22-25-48-148)167-125(213)90(35-28-51-162-146(157)158)169-130(218)95(54-70(2)3)175-127(215)91(36-29-52-163-147(159)160)173-144(232)116(78(15)194)190-137(225)99(59-82-39-43-85(197)44-40-82)178-134(222)101(62-109(154)200)180-136(224)104(65-112(204)205)184-145(233)117(79(16)195)191-138(226)100(57-80-30-20-19-21-31-80)183-142(230)114(74(10)11)188-120(208)77(14)166-129(217)103(64-111(202)203)181-139(227)105(67-192)185-121(209)86(151)60-83-66-161-69-164-83/h19-21,30-31,37-44,66,69-79,86-106,113-117,192-197H,18,22-29,32-36,45-65,67-68,148-151H2,1-17H3,(H2,152,198)(H2,153,199)(H2,154,200)(H2,155,201)(H2,156,206)(H,161,164)(H,165,210)(H,166,217)(H,167,213)(H,168,212)(H,169,218)(H,170,211)(H,171,216)(H,172,229)(H,173,232)(H,174,219)(H,175,215)(H,176,221)(H,177,214)(H,178,222)(H,179,220)(H,180,224)(H,181,227)(H,182,231)(H,183,230)(H,184,233)(H,185,209)(H,186,223)(H,187,207)(H,188,208)(H,189,228)(H,190,225)(H,191,226)(H,202,203)(H,204,205)(H4,157,158,162)(H4,159,160,163)/t75-,76-,77-,78+,79+,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,113-,114-,115-,116-,117-/m0/s1
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n/an/a 0.120n/an/an/an/an/an/a



Institute of Organic Synthesis

Curated by ChEMBL


Assay Description
Binding affinity to human VPAC1 receptor by radioligand displacement assay


Bioorg Med Chem 21: 2764-71 (2013)

More data for this
Ligand-Target Pair
VIPR1


()
BDBM50435130
PNG
(CHEMBL1893324)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1cnc[nH]1)C(C)C)[C@@H](C)O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(N)=O
Show InChI InChI=1S/C147H238N44O42S/c1-18-75(12)115(143(231)182-97(56-72(6)7)131(219)174-94(118(156)206)61-108(153)199)189-140(228)106(68-193)186-135(223)102(63-110(155)201)179-132(220)96(55-71(4)5)176-133(221)98(58-81-37-41-84(196)42-38-81)177-126(214)88(33-23-26-49-149)168-124(212)89(34-24-27-50-150)172-141(229)113(73(8)9)187-119(207)76(13)165-122(210)93(47-53-234-17)171-128(216)92(45-46-107(152)198)170-123(211)87(32-22-25-48-148)167-125(213)90(35-28-51-162-146(157)158)169-130(218)95(54-70(2)3)175-127(215)91(36-29-52-163-147(159)160)173-144(232)116(78(15)194)190-137(225)99(59-82-39-43-85(197)44-40-82)178-134(222)101(62-109(154)200)180-136(224)104(65-112(204)205)184-145(233)117(79(16)195)191-138(226)100(57-80-30-20-19-21-31-80)183-142(230)114(74(10)11)188-120(208)77(14)166-129(217)103(64-111(202)203)181-139(227)105(67-192)185-121(209)86(151)60-83-66-161-69-164-83/h19-21,30-31,37-44,66,69-79,86-106,113-117,192-197H,18,22-29,32-36,45-65,67-68,148-151H2,1-17H3,(H2,152,198)(H2,153,199)(H2,154,200)(H2,155,201)(H2,156,206)(H,161,164)(H,165,210)(H,166,217)(H,167,213)(H,168,212)(H,169,218)(H,170,211)(H,171,216)(H,172,229)(H,173,232)(H,174,219)(H,175,215)(H,176,221)(H,177,214)(H,178,222)(H,179,220)(H,180,224)(H,181,227)(H,182,231)(H,183,230)(H,184,233)(H,185,209)(H,186,223)(H,187,207)(H,188,208)(H,189,228)(H,190,225)(H,191,226)(H,202,203)(H,204,205)(H4,157,158,162)(H4,159,160,163)/t75-,76-,77-,78+,79+,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,113-,114-,115-,116-,117-/m0/s1
UniProtKB/SwissProt

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n/an/a 0.120n/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Binding affinity to human VPAC1 receptor by radioligand displacement assay


Eur J Med Chem 63: 85-94 (2013)

More data for this
Ligand-Target Pair
VIPR1


()
BDBM50435130
PNG
(CHEMBL1893324)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1cnc[nH]1)C(C)C)[C@@H](C)O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(N)=O
Show InChI InChI=1S/C147H238N44O42S/c1-18-75(12)115(143(231)182-97(56-72(6)7)131(219)174-94(118(156)206)61-108(153)199)189-140(228)106(68-193)186-135(223)102(63-110(155)201)179-132(220)96(55-71(4)5)176-133(221)98(58-81-37-41-84(196)42-38-81)177-126(214)88(33-23-26-49-149)168-124(212)89(34-24-27-50-150)172-141(229)113(73(8)9)187-119(207)76(13)165-122(210)93(47-53-234-17)171-128(216)92(45-46-107(152)198)170-123(211)87(32-22-25-48-148)167-125(213)90(35-28-51-162-146(157)158)169-130(218)95(54-70(2)3)175-127(215)91(36-29-52-163-147(159)160)173-144(232)116(78(15)194)190-137(225)99(59-82-39-43-85(197)44-40-82)178-134(222)101(62-109(154)200)180-136(224)104(65-112(204)205)184-145(233)117(79(16)195)191-138(226)100(57-80-30-20-19-21-31-80)183-142(230)114(74(10)11)188-120(208)77(14)166-129(217)103(64-111(202)203)181-139(227)105(67-192)185-121(209)86(151)60-83-66-161-69-164-83/h19-21,30-31,37-44,66,69-79,86-106,113-117,192-197H,18,22-29,32-36,45-65,67-68,148-151H2,1-17H3,(H2,152,198)(H2,153,199)(H2,154,200)(H2,155,201)(H2,156,206)(H,161,164)(H,165,210)(H,166,217)(H,167,213)(H,168,212)(H,169,218)(H,170,211)(H,171,216)(H,172,229)(H,173,232)(H,174,219)(H,175,215)(H,176,221)(H,177,214)(H,178,222)(H,179,220)(H,180,224)(H,181,227)(H,182,231)(H,183,230)(H,184,233)(H,185,209)(H,186,223)(H,187,207)(H,188,208)(H,189,228)(H,190,225)(H,191,226)(H,202,203)(H,204,205)(H4,157,158,162)(H4,159,160,163)/t75-,76-,77-,78+,79+,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,113-,114-,115-,116-,117-/m0/s1
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n/an/a 1.10n/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [125I]VIP from human recombinant VIP1 receptor expressed in CHO cells


Bioorg Med Chem 24: 1793-810 (2016)

More data for this
Ligand-Target Pair
VIPR1


()
BDBM50200209
PNG
((2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2...)
Show SMILES CC[C@H](C)[C@H](NC(=O)CNC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)C(O)=O
Show InChI InChI=1S/C142H223N39O40S/c1-16-75(10)113(178-108(190)66-155-119(199)101(63-109(191)192)171-134(214)104(67-182)175-118(198)88(146)62-84-65-152-70-156-84)138(218)172-100(58-80-28-18-17-19-29-80)132(212)181-114(79(14)185)139(219)173-102(64-110(193)194)131(211)177-106(69-184)135(215)170-99(61-83-39-45-87(188)46-40-83)130(210)176-105(68-183)133(213)163-93(34-27-54-154-142(150)151)125(205)168-97(59-81-35-41-85(186)42-36-81)128(208)162-92(33-26-53-153-141(148)149)123(203)160-89(30-20-23-50-143)121(201)164-94(47-48-107(147)189)126(206)165-95(49-55-222-15)120(200)158-78(13)117(197)179-111(73(6)7)136(216)166-91(32-22-25-52-145)122(202)161-90(31-21-24-51-144)124(204)169-98(60-82-37-43-86(187)44-38-82)129(209)167-96(56-71(2)3)127(207)159-76(11)115(195)157-77(12)116(196)180-112(74(8)9)137(217)174-103(140(220)221)57-72(4)5/h17-19,28-29,35-46,65,70-79,88-106,111-114,182-188H,16,20-27,30-34,47-64,66-69,143-146H2,1-15H3,(H2,147,189)(H,152,156)(H,155,199)(H,157,195)(H,158,200)(H,159,207)(H,160,203)(H,161,202)(H,162,208)(H,163,213)(H,164,201)(H,165,206)(H,166,216)(H,167,209)(H,168,205)(H,169,204)(H,170,215)(H,171,214)(H,172,218)(H,173,219)(H,174,217)(H,175,198)(H,176,210)(H,177,211)(H,178,190)(H,179,197)(H,180,196)(H,181,212)(H,191,192)(H,193,194)(H,220,221)(H4,148,149,153)(H4,150,151,154)/t75-,76-,77-,78-,79+,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,111-,112-,113-,114-/m0/s1
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n/an/a 12n/an/an/an/an/an/a



Bayer Pharmaceuticals Corporation

Curated by ChEMBL


Assay Description
Displacement of [125I]PACAP27 from human VPAC1 receptor expressed in CHO cells


J Med Chem 49: 7545-8 (2006)

More data for this
Ligand-Target Pair
VIPR1


()
BDBM50360601
PNG
(CHEMBL1933349)
Show SMILES COc1ccc2cc(ccc2c1)-c1cc(nn1[C@@H](C)c1ccc(cc1)C(=O)NCCC(O)=O)-c1cc(Cl)cc(Cl)c1
Show InChI InChI=1S/C32H27Cl2N3O4/c1-19(20-3-5-21(6-4-20)32(40)35-12-11-31(38)39)37-30(18-29(36-37)25-14-26(33)17-27(34)15-25)24-8-7-23-16-28(41-2)10-9-22(23)13-24/h3-10,13-19H,11-12H2,1-2H3,(H,35,40)(H,38,39)/t19-/m0/s1
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n/an/a 1.16E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human VPAC1 expressed in HT-29 cells assessed as inhibition of glucagon-induced cAMP accumulation preincubated for 30 mins pri...


J Med Chem 55: 6137-48 (2012)

More data for this
Ligand-Target Pair
VIPR1


()
BDBM50200209
PNG
((2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2...)
Show SMILES CC[C@H](C)[C@H](NC(=O)CNC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)C(O)=O
Show InChI InChI=1S/C142H223N39O40S/c1-16-75(10)113(178-108(190)66-155-119(199)101(63-109(191)192)171-134(214)104(67-182)175-118(198)88(146)62-84-65-152-70-156-84)138(218)172-100(58-80-28-18-17-19-29-80)132(212)181-114(79(14)185)139(219)173-102(64-110(193)194)131(211)177-106(69-184)135(215)170-99(61-83-39-45-87(188)46-40-83)130(210)176-105(68-183)133(213)163-93(34-27-54-154-142(150)151)125(205)168-97(59-81-35-41-85(186)42-36-81)128(208)162-92(33-26-53-153-141(148)149)123(203)160-89(30-20-23-50-143)121(201)164-94(47-48-107(147)189)126(206)165-95(49-55-222-15)120(200)158-78(13)117(197)179-111(73(6)7)136(216)166-91(32-22-25-52-145)122(202)161-90(31-21-24-51-144)124(204)169-98(60-82-37-43-86(187)44-38-82)129(209)167-96(56-71(2)3)127(207)159-76(11)115(195)157-77(12)116(196)180-112(74(8)9)137(217)174-103(140(220)221)57-72(4)5/h17-19,28-29,35-46,65,70-79,88-106,111-114,182-188H,16,20-27,30-34,47-64,66-69,143-146H2,1-15H3,(H2,147,189)(H,152,156)(H,155,199)(H,157,195)(H,158,200)(H,159,207)(H,160,203)(H,161,202)(H,162,208)(H,163,213)(H,164,201)(H,165,206)(H,166,216)(H,167,209)(H,168,205)(H,169,204)(H,170,215)(H,171,214)(H,172,218)(H,173,219)(H,174,217)(H,175,198)(H,176,210)(H,177,211)(H,178,190)(H,179,197)(H,180,196)(H,181,212)(H,191,192)(H,193,194)(H,220,221)(H4,148,149,153)(H4,150,151,154)/t75-,76-,77-,78-,79+,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,111-,112-,113-,114-/m0/s1
UniProtKB/SwissProt

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n/an/an/an/a 0.600n/an/an/an/a



Bayer Pharmaceuticals Corporation

Curated by ChEMBL


Assay Description
Activity at human VPAC1 receptor in CHO cells by measuring cAMP accumulation


J Med Chem 49: 7545-8 (2006)

More data for this
Ligand-Target Pair