Found 16 hits of ic50 for UniProtKB: P32241 Target/Host
(Institution) | Ligand | Target/Host
Links | Ligand
Links | Trg + Lig
Links | Ki
nM | ΔG°
kcal/mole | IC50
nM | Kd
nM | EC50/IC50
nM | koff
s-1 | kon
M-1s-1 | pH | Temp
°C |
|---|
Vasoactive intestinal polypeptide receptor 1
(Homo sapiens (Human)) | BDBM50250019
(CHEMBL524658 | PACAP | PACAP(1-38) | PACAP-38 | PA...)Show SMILES CC[C@H](C)[C@H](NC(=O)CNC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCCN)C(N)=O |r| Show InChI InChI=1S/C203H331N63O53S/c1-18-109(12)162(262-156(279)99-230-170(290)147(95-157(280)281)255-193(313)149(100-267)259-168(288)124(211)93-119-97-224-103-231-119)198(318)257-145(88-114-40-20-19-21-41-114)191(311)266-163(113(16)270)199(319)258-148(96-158(282)283)190(310)261-151(102-269)194(314)253-144(92-118-59-67-123(274)68-60-118)188(308)260-150(101-268)192(312)243-134(51-38-83-227-202(220)221)180(300)251-142(90-116-55-63-121(272)64-56-116)186(306)242-132(49-36-81-225-200(216)217)176(296)237-127(44-24-31-76-206)173(293)245-137(70-72-153(213)276)182(302)246-138(73-85-320-17)171(291)233-112(15)167(287)263-159(106(6)7)195(315)247-130(47-27-34-79-209)175(295)238-129(46-26-33-78-208)177(297)252-143(91-117-57-65-122(273)66-58-117)187(307)249-140(87-105(4)5)184(304)234-110(13)165(285)232-111(14)166(286)264-160(107(8)9)197(317)256-139(86-104(2)3)169(289)229-98-155(278)235-126(43-23-30-75-205)172(292)239-133(50-37-82-226-201(218)219)179(299)250-141(89-115-53-61-120(271)62-54-115)185(305)241-128(45-25-32-77-207)174(294)244-136(69-71-152(212)275)181(301)240-135(52-39-84-228-203(222)223)183(303)265-161(108(10)11)196(316)248-131(48-28-35-80-210)178(298)254-146(94-154(214)277)189(309)236-125(164(215)284)42-22-29-74-204/h19-21,40-41,53-68,97,103-113,124-151,159-163,267-274H,18,22-39,42-52,69-96,98-102,204-211H2,1-17H3,(H2,212,275)(H2,213,276)(H2,214,277)(H2,215,284)(H,224,231)(H,229,289)(H,230,290)(H,232,285)(H,233,291)(H,234,304)(H,235,278)(H,236,309)(H,237,296)(H,238,295)(H,239,292)(H,240,301)(H,241,305)(H,242,306)(H,243,312)(H,244,294)(H,245,293)(H,246,302)(H,247,315)(H,248,316)(H,249,307)(H,250,299)(H,251,300)(H,252,297)(H,253,314)(H,254,298)(H,255,313)(H,256,317)(H,257,318)(H,258,319)(H,259,288)(H,260,308)(H,261,310)(H,262,279)(H,263,287)(H,264,286)(H,265,303)(H,266,311)(H,280,281)(H,282,283)(H4,216,217,225)(H4,218,219,226)(H4,220,221,227)(H4,222,223,228)/t109-,110-,111-,112-,113+,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,135-,136-,137-,138-,139-,140-,141-,142-,143-,144-,145-,146-,147-,148-,149-,150-,151-,159-,160-,161-,162-,163-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.0400 | n/a | n/a | n/a | n/a | n/a | n/a |
Jagiellonian University Medical College
Curated by ChEMBL
| Assay Description
Displacement of [125I]PACAP1-27 from human recombinant PAC1 receptor expressed in CHO cells measured after 120 mins by scintillation counting method |
Bioorg Med Chem 25: 471-482 (2017)
Article DOI: 10.1016/j.bmc.2016.11.014
BindingDB Entry DOI: 10.7270/Q2CF9S3S |
More data for this
Ligand-Target Pair | |
Vasoactive intestinal polypeptide receptor 1
(Homo sapiens (Human)) | BDBM50250019
(CHEMBL524658 | PACAP | PACAP(1-38) | PACAP-38 | PA...)Show SMILES CC[C@H](C)[C@H](NC(=O)CNC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCCN)C(N)=O |r| Show InChI InChI=1S/C203H331N63O53S/c1-18-109(12)162(262-156(279)99-230-170(290)147(95-157(280)281)255-193(313)149(100-267)259-168(288)124(211)93-119-97-224-103-231-119)198(318)257-145(88-114-40-20-19-21-41-114)191(311)266-163(113(16)270)199(319)258-148(96-158(282)283)190(310)261-151(102-269)194(314)253-144(92-118-59-67-123(274)68-60-118)188(308)260-150(101-268)192(312)243-134(51-38-83-227-202(220)221)180(300)251-142(90-116-55-63-121(272)64-56-116)186(306)242-132(49-36-81-225-200(216)217)176(296)237-127(44-24-31-76-206)173(293)245-137(70-72-153(213)276)182(302)246-138(73-85-320-17)171(291)233-112(15)167(287)263-159(106(6)7)195(315)247-130(47-27-34-79-209)175(295)238-129(46-26-33-78-208)177(297)252-143(91-117-57-65-122(273)66-58-117)187(307)249-140(87-105(4)5)184(304)234-110(13)165(285)232-111(14)166(286)264-160(107(8)9)197(317)256-139(86-104(2)3)169(289)229-98-155(278)235-126(43-23-30-75-205)172(292)239-133(50-37-82-226-201(218)219)179(299)250-141(89-115-53-61-120(271)62-54-115)185(305)241-128(45-25-32-77-207)174(294)244-136(69-71-152(212)275)181(301)240-135(52-39-84-228-203(222)223)183(303)265-161(108(10)11)196(316)248-131(48-28-35-80-210)178(298)254-146(94-154(214)277)189(309)236-125(164(215)284)42-22-29-74-204/h19-21,40-41,53-68,97,103-113,124-151,159-163,267-274H,18,22-39,42-52,69-96,98-102,204-211H2,1-17H3,(H2,212,275)(H2,213,276)(H2,214,277)(H2,215,284)(H,224,231)(H,229,289)(H,230,290)(H,232,285)(H,233,291)(H,234,304)(H,235,278)(H,236,309)(H,237,296)(H,238,295)(H,239,292)(H,240,301)(H,241,305)(H,242,306)(H,243,312)(H,244,294)(H,245,293)(H,246,302)(H,247,315)(H,248,316)(H,249,307)(H,250,299)(H,251,300)(H,252,297)(H,253,314)(H,254,298)(H,255,313)(H,256,317)(H,257,318)(H,258,319)(H,259,288)(H,260,308)(H,261,310)(H,262,279)(H,263,287)(H,264,286)(H,265,303)(H,266,311)(H,280,281)(H,282,283)(H4,216,217,225)(H4,218,219,226)(H4,220,221,227)(H4,222,223,228)/t109-,110-,111-,112-,113+,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,135-,136-,137-,138-,139-,140-,141-,142-,143-,144-,145-,146-,147-,148-,149-,150-,151-,159-,160-,161-,162-,163-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.0500 | n/a | n/a | n/a | n/a | n/a | n/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)
Article DOI: 10.1016/j.bmc.2013.03.016
BindingDB Entry DOI: 10.7270/Q2N87C5Q |
More data for this
Ligand-Target Pair | |
Vasoactive intestinal polypeptide receptor 1
(Homo sapiens (Human)) | BDBM50435130
(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 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.110 | n/a | n/a | n/a | n/a | n/a | n/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)
Article DOI: 10.1016/j.bmc.2016.03.006
BindingDB Entry DOI: 10.7270/Q2J67JS7 |
More data for this
Ligand-Target Pair | |
Vasoactive intestinal polypeptide receptor 1
(Homo sapiens (Human)) | BDBM50208990
(CHEMBL3884667)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](CC(C)C)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 |r| Show InChI InChI=1S/C148H240N44O42/c1-19-76(14)116(144(232)183-98(56-73(8)9)132(220)174-94(119(157)207)61-109(154)200)190-141(229)107(68-194)187-136(224)103(63-111(156)202)180-133(221)97(55-72(6)7)177-134(222)99(58-82-38-42-85(197)43-39-82)178-126(214)89(34-24-27-49-150)169-124(212)90(35-25-28-50-151)172-142(230)114(74(10)11)188-120(208)77(15)166-129(217)95(53-70(2)3)175-128(216)93(46-47-108(153)199)171-123(211)88(33-23-26-48-149)168-125(213)91(36-29-51-163-147(158)159)170-131(219)96(54-71(4)5)176-127(215)92(37-30-52-164-148(160)161)173-145(233)117(79(17)195)191-138(226)100(59-83-40-44-86(198)45-41-83)179-135(223)102(62-110(155)201)181-137(225)105(65-113(205)206)185-146(234)118(80(18)196)192-139(227)101(57-81-31-21-20-22-32-81)184-143(231)115(75(12)13)189-121(209)78(16)167-130(218)104(64-112(203)204)182-140(228)106(67-193)186-122(210)87(152)60-84-66-162-69-165-84/h20-22,31-32,38-45,66,69-80,87-107,114-118,193-198H,19,23-30,33-37,46-65,67-68,149-152H2,1-18H3,(H2,153,199)(H2,154,200)(H2,155,201)(H2,156,202)(H2,157,207)(H,162,165)(H,166,217)(H,167,218)(H,168,213)(H,169,212)(H,170,219)(H,171,211)(H,172,230)(H,173,233)(H,174,220)(H,175,216)(H,176,215)(H,177,222)(H,178,214)(H,179,223)(H,180,221)(H,181,225)(H,182,228)(H,183,232)(H,184,231)(H,185,234)(H,186,210)(H,187,224)(H,188,208)(H,189,209)(H,190,229)(H,191,226)(H,192,227)(H,203,204)(H,205,206)(H4,158,159,163)(H4,160,161,164)/t76-,77-,78-,79+,80+,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,114-,115-,116-,117-,118-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.110 | n/a | n/a | n/a | n/a | n/a | n/a |
Jagiellonian University Medical College
Curated by ChEMBL
| Assay Description
Displacement of [125I]VIP from human recombinant VPAC1 receptor expressed in CHO cells measured after 60 mins by scintillation counting method |
Bioorg Med Chem 25: 471-482 (2017)
Article DOI: 10.1016/j.bmc.2016.11.014
BindingDB Entry DOI: 10.7270/Q2CF9S3S |
More data for this
Ligand-Target Pair | |
Vasoactive intestinal polypeptide receptor 1
(Homo sapiens (Human)) | BDBM50435130
(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 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.120 | n/a | n/a | n/a | n/a | n/a | n/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)
Article DOI: 10.1016/j.bmc.2013.03.016
BindingDB Entry DOI: 10.7270/Q2N87C5Q |
More data for this
Ligand-Target Pair | |
Vasoactive intestinal polypeptide receptor 1
(Homo sapiens (Human)) | BDBM50435130
(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 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.120 | n/a | n/a | n/a | n/a | n/a | n/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)
Article DOI: 10.1016/j.ejmech.2013.01.044
BindingDB Entry DOI: 10.7270/Q2JH3NKC |
More data for this
Ligand-Target Pair | |
Vasoactive intestinal polypeptide receptor 1
(Homo sapiens (Human)) | BDBM392076
(US10301272, Example 7/9)Show SMILES CC(C)(C)NS(=O)(=O)c1ccc(-c2sc(nc2CC2CCCCC2)C(=O)N[C@H]2C[C@@H](C2)C(O)=O)c2ccccc12 |r,wU:27.28,wD:29.33,(8.76,1.15,;7.67,.06,;6.19,.46,;7.28,1.55,;8.07,-1.42,;6.98,-2.51,;6.59,-4,;8.07,-3.6,;5.5,-2.11,;5.1,-.63,;3.61,-.23,;2.52,-1.32,;1.03,-.92,;.56,.55,;-.98,.55,;-1.46,-.92,;-.21,-1.82,;-.21,-3.36,;-1.55,-4.13,;-2.88,-3.36,;-4.21,-4.13,;-4.21,-5.67,;-2.88,-6.44,;-1.55,-5.67,;-2.07,1.64,;-1.67,3.12,;-3.56,1.24,;-4.65,2.33,;-6.19,2.33,;-6.19,3.87,;-4.65,3.87,;-7.28,4.96,;-6.88,6.44,;-8.76,4.56,;2.92,-2.8,;1.83,-3.89,;2.23,-5.38,;3.72,-5.78,;4.81,-4.69,;4.41,-3.2,)| Show InChI InChI=1S/C30H37N3O5S2/c1-30(2,3)33-40(37,38)25-14-13-23(21-11-7-8-12-22(21)25)26-24(15-18-9-5-4-6-10-18)32-28(39-26)27(34)31-20-16-19(17-20)29(35)36/h7-8,11-14,18-20,33H,4-6,9-10,15-17H2,1-3H3,(H,31,34)(H,35,36)/t19-,20- | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 0.470 | n/a | n/a | n/a | n/a | n/a | n/a |
Phenex Pharmaceuticals AG
Curated by ChEMBL
| Assay Description
Displacement of [125I]VIP from human recombinant VPAC1 receptor after 60 mins by scintillation counting analysis |
Bioorg Med Chem Lett 28: 1446-1455 (2018)
Article DOI: 10.1016/j.bmcl.2018.03.093
BindingDB Entry DOI: 10.7270/Q27W6FPC |
More data for this
Ligand-Target Pair | |
Vasoactive intestinal polypeptide receptor 1
(Homo sapiens (Human)) | BDBM50250018
(CHEMBL524852 | PACAP27)Show SMILES CC[C@H](C)[C@H](NC(=O)CNC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)C(N)=O |r,wU:26.26,12.16,4.4,48.49,49.52,63.64,81.83,98.100,121.124,139.142,152.155,168.171,189.193,202.207,214.218,wD:20.22,2.2,37.37,55.56,69.70,87.89,110.113,130.133,147.151,159.162,177.180,197.202,207.211,(2.22,-11.33,;2.22,-12.87,;3.55,-13.64,;4.88,-12.87,;3.55,-15.18,;2.22,-15.95,;.88,-15.18,;.88,-13.64,;-.45,-15.95,;-1.79,-15.18,;-3.12,-15.95,;-3.12,-17.49,;-4.45,-15.18,;-4.45,-13.64,;-3.12,-12.87,;-1.79,-13.64,;-3.12,-11.33,;-5.79,-15.95,;-7.12,-15.18,;-7.12,-13.64,;-8.45,-15.95,;-8.45,-17.49,;-7.12,-18.26,;-9.79,-15.18,;-11.12,-15.95,;-11.12,-17.49,;-12.45,-15.18,;-13.79,-15.95,;-12.45,-13.64,;-11.12,-12.87,;-9.71,-13.5,;-8.68,-12.35,;-9.45,-11.01,;-10.96,-11.33,;4.88,-15.95,;4.88,-17.49,;6.22,-15.18,;7.55,-15.95,;7.55,-17.49,;8.88,-18.26,;10.22,-17.49,;11.56,-18.26,;11.56,-19.8,;10.22,-20.58,;8.88,-19.8,;8.88,-15.18,;8.88,-13.64,;10.22,-15.95,;11.55,-15.18,;11.55,-13.64,;10.22,-12.87,;12.89,-12.87,;12.89,-15.95,;12.89,-17.49,;14.22,-15.18,;15.55,-15.95,;15.55,-17.49,;16.89,-18.26,;18.22,-17.49,;16.89,-19.8,;16.89,-15.18,;16.89,-13.64,;18.22,-15.95,;19.55,-15.18,;19.55,-13.64,;20.89,-12.87,;20.89,-15.95,;20.89,-17.49,;22.22,-15.18,;23.55,-15.95,;23.55,-17.49,;24.89,-18.26,;26.23,-17.49,;27.57,-18.26,;27.57,-19.8,;28.9,-20.57,;26.23,-20.58,;24.89,-19.8,;24.89,-15.18,;24.89,-13.64,;26.22,-15.95,;27.56,-15.18,;27.56,-13.64,;28.89,-12.87,;28.89,-15.95,;28.89,-17.49,;30.22,-15.18,;31.56,-15.95,;31.56,-17.49,;32.89,-18.26,;32.89,-19.8,;34.22,-20.57,;34.22,-22.11,;32.89,-22.88,;35.56,-22.88,;32.89,-15.18,;32.89,-13.64,;34.22,-15.95,;35.56,-15.18,;35.56,-13.64,;36.89,-12.87,;38.23,-13.64,;39.57,-12.87,;39.57,-11.32,;40.9,-10.55,;38.23,-10.55,;36.89,-11.32,;36.89,-15.95,;36.89,-17.49,;38.23,-15.18,;39.56,-15.95,;39.56,-17.49,;40.89,-18.26,;40.89,-19.8,;42.23,-20.57,;42.23,-22.11,;40.89,-22.88,;43.56,-22.88,;40.89,-15.18,;40.89,-13.64,;42.23,-15.95,;43.56,-15.18,;43.56,-13.64,;44.89,-12.87,;44.89,-11.33,;46.23,-10.56,;46.23,-9.02,;44.89,-15.95,;44.89,-17.49,;46.23,-15.18,;47.56,-15.95,;47.56,-17.49,;48.89,-18.26,;48.89,-19.8,;47.56,-20.57,;50.23,-20.57,;48.89,-15.18,;48.89,-13.64,;50.23,-15.95,;51.56,-15.18,;51.56,-13.64,;52.9,-12.87,;52.9,-11.33,;54.23,-10.56,;52.9,-15.95,;52.9,-17.49,;54.23,-15.18,;55.56,-15.95,;55.56,-17.49,;56.9,-15.18,;56.9,-13.64,;58.23,-15.95,;59.56,-15.18,;59.56,-13.64,;60.9,-12.87,;58.23,-12.87,;60.9,-15.95,;60.9,-17.49,;62.23,-15.18,;63.57,-15.95,;63.57,-17.49,;64.9,-18.26,;64.9,-19.8,;66.23,-20.57,;66.23,-22.11,;64.9,-15.18,;64.9,-13.64,;66.23,-15.95,;67.57,-15.18,;67.57,-13.64,;68.9,-12.87,;68.9,-11.33,;70.23,-10.56,;70.23,-9.02,;68.9,-15.95,;68.9,-17.49,;70.23,-15.18,;71.57,-15.95,;71.57,-17.49,;72.9,-18.26,;74.24,-17.49,;75.58,-18.26,;75.58,-19.8,;76.91,-20.57,;74.24,-20.58,;72.9,-19.8,;72.9,-15.18,;72.9,-13.64,;74.23,-15.95,;75.57,-15.18,;75.57,-13.64,;76.9,-12.87,;76.9,-11.33,;78.24,-13.64,;76.9,-15.95,;76.9,-17.49,;78.24,-15.18,;79.57,-15.95,;79.57,-17.49,;80.9,-15.18,;80.9,-13.64,;82.24,-15.95,;83.57,-15.18,;83.57,-13.64,;84.9,-15.95,;84.9,-17.49,;86.24,-15.18,;87.57,-15.95,;87.57,-17.49,;88.91,-18.26,;86.24,-18.26,;88.91,-15.18,;88.91,-13.64,;90.24,-15.95,;91.57,-15.18,;91.57,-13.64,;92.91,-12.87,;92.91,-11.33,;94.24,-13.64,;92.91,-15.95,;94.24,-15.18,;92.91,-17.49,)| Show InChI InChI=1S/C142H224N40O39S/c1-16-75(10)113(179-108(191)66-156-120(201)102(63-109(192)193)173-135(216)104(67-183)176-119(200)88(146)62-84-65-153-70-157-84)139(220)174-101(58-80-28-18-17-19-29-80)133(214)182-114(79(14)186)140(221)175-103(64-110(194)195)132(213)178-106(69-185)136(217)172-100(61-83-39-45-87(189)46-40-83)131(212)177-105(68-184)134(215)164-93(34-27-54-155-142(151)152)126(207)170-98(59-81-35-41-85(187)42-36-81)129(210)163-92(33-26-53-154-141(149)150)124(205)161-89(30-20-23-50-143)122(203)165-94(47-48-107(147)190)127(208)166-95(49-55-222-15)121(202)159-78(13)118(199)180-111(73(6)7)137(218)167-91(32-22-25-52-145)123(204)162-90(31-21-24-51-144)125(206)171-99(60-82-37-43-86(188)44-38-82)130(211)169-97(57-72(4)5)128(209)160-76(11)116(197)158-77(12)117(198)181-112(74(8)9)138(219)168-96(115(148)196)56-71(2)3/h17-19,28-29,35-46,65,70-79,88-106,111-114,183-189H,16,20-27,30-34,47-64,66-69,143-146H2,1-15H3,(H2,147,190)(H2,148,196)(H,153,157)(H,156,201)(H,158,197)(H,159,202)(H,160,209)(H,161,205)(H,162,204)(H,163,210)(H,164,215)(H,165,203)(H,166,208)(H,167,218)(H,168,219)(H,169,211)(H,170,207)(H,171,206)(H,172,217)(H,173,216)(H,174,220)(H,175,221)(H,176,200)(H,177,212)(H,178,213)(H,179,191)(H,180,199)(H,181,198)(H,182,214)(H,192,193)(H,194,195)(H4,149,150,154)(H4,151,152,155)/t75-,76-,77-,78-,79+,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,111-,112-,113-,114-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5.90 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ du Qu£bec
Curated by ChEMBL
| Assay Description
Displacement of Ac-[125I]-PACAP27 from recombinant human VPAC1 expressed in CHO cells after 90 mins by gamma counting analysis |
Eur J Med Chem 104: 106-14 (2015)
Article DOI: 10.1016/j.ejmech.2015.09.017
BindingDB Entry DOI: 10.7270/Q2HH6P1F |
More data for this
Ligand-Target Pair | |
Vasoactive intestinal polypeptide receptor 1
(Homo sapiens (Human)) | BDBM50498951
(CHEMBL3736134)Show SMILES CC[C@H](C)[C@H](NC(=O)CNC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(cc1)C#Cc1ccc(F)cc1)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)C(N)=O |r| Show InChI InChI=1S/C150H227FN40O39S/c1-16-80(10)121(188-116(200)71-165-128(210)110(68-117(201)202)182-143(225)112(72-192)185-127(209)96(155)67-92-70-162-75-166-92)147(229)183-109(63-87-34-32-85(33-35-87)30-31-86-36-44-91(151)45-37-86)141(223)191-122(84(14)195)148(230)184-111(69-118(203)204)140(222)187-114(74-194)144(226)181-108(66-90-42-50-95(198)51-43-90)139(221)186-113(73-193)142(224)173-101(29-24-59-164-150(160)161)134(216)179-106(64-88-38-46-93(196)47-39-88)137(219)172-100(28-23-58-163-149(158)159)132(214)170-97(25-17-20-55-152)130(212)174-102(52-53-115(156)199)135(217)175-103(54-60-231-15)129(211)168-83(13)126(208)189-119(78(6)7)145(227)176-99(27-19-22-57-154)131(213)171-98(26-18-21-56-153)133(215)180-107(65-89-40-48-94(197)49-41-89)138(220)178-105(62-77(4)5)136(218)169-81(11)124(206)167-82(12)125(207)190-120(79(8)9)146(228)177-104(123(157)205)61-76(2)3/h32-51,70,75-84,96-114,119-122,192-198H,16-29,52-69,71-74,152-155H2,1-15H3,(H2,156,199)(H2,157,205)(H,162,166)(H,165,210)(H,167,206)(H,168,211)(H,169,218)(H,170,214)(H,171,213)(H,172,219)(H,173,224)(H,174,212)(H,175,217)(H,176,227)(H,177,228)(H,178,220)(H,179,216)(H,180,215)(H,181,226)(H,182,225)(H,183,229)(H,184,230)(H,185,209)(H,186,221)(H,187,222)(H,188,200)(H,189,208)(H,190,207)(H,191,223)(H,201,202)(H,203,204)(H4,158,159,163)(H4,160,161,164)/t80-,81-,82-,83-,84+,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,119-,120-,121-,122-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 9 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ du Qu£bec
Curated by ChEMBL
| Assay Description
Displacement of Ac-[125I]-PACAP27 from recombinant human VPAC1 expressed in CHO cells after 90 mins by gamma counting analysis |
Eur J Med Chem 104: 106-14 (2015)
Article DOI: 10.1016/j.ejmech.2015.09.017
BindingDB Entry DOI: 10.7270/Q2HH6P1F |
More data for this
Ligand-Target Pair | |
Vasoactive intestinal polypeptide receptor 1
(Homo sapiens (Human)) | BDBM50498951
(CHEMBL3736134)Show SMILES CC[C@H](C)[C@H](NC(=O)CNC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(cc1)C#Cc1ccc(F)cc1)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)C(N)=O |r| Show InChI InChI=1S/C150H227FN40O39S/c1-16-80(10)121(188-116(200)71-165-128(210)110(68-117(201)202)182-143(225)112(72-192)185-127(209)96(155)67-92-70-162-75-166-92)147(229)183-109(63-87-34-32-85(33-35-87)30-31-86-36-44-91(151)45-37-86)141(223)191-122(84(14)195)148(230)184-111(69-118(203)204)140(222)187-114(74-194)144(226)181-108(66-90-42-50-95(198)51-43-90)139(221)186-113(73-193)142(224)173-101(29-24-59-164-150(160)161)134(216)179-106(64-88-38-46-93(196)47-39-88)137(219)172-100(28-23-58-163-149(158)159)132(214)170-97(25-17-20-55-152)130(212)174-102(52-53-115(156)199)135(217)175-103(54-60-231-15)129(211)168-83(13)126(208)189-119(78(6)7)145(227)176-99(27-19-22-57-154)131(213)171-98(26-18-21-56-153)133(215)180-107(65-89-40-48-94(197)49-41-89)138(220)178-105(62-77(4)5)136(218)169-81(11)124(206)167-82(12)125(207)190-120(79(8)9)146(228)177-104(123(157)205)61-76(2)3/h32-51,70,75-84,96-114,119-122,192-198H,16-29,52-69,71-74,152-155H2,1-15H3,(H2,156,199)(H2,157,205)(H,162,166)(H,165,210)(H,167,206)(H,168,211)(H,169,218)(H,170,214)(H,171,213)(H,172,219)(H,173,224)(H,174,212)(H,175,217)(H,176,227)(H,177,228)(H,178,220)(H,179,216)(H,180,215)(H,181,226)(H,182,225)(H,183,229)(H,184,230)(H,185,209)(H,186,221)(H,187,222)(H,188,200)(H,189,208)(H,190,207)(H,191,223)(H,201,202)(H,203,204)(H4,158,159,163)(H4,160,161,164)/t80-,81-,82-,83-,84+,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,119-,120-,121-,122-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 9.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ du Qu£bec
Curated by ChEMBL
| Assay Description
Displacement of Ac-[125I]-PACAP27 from recombinant human VPAC1 expressed in CHO cells after 90 mins by gamma counting analysis |
Eur J Med Chem 104: 106-14 (2015)
Article DOI: 10.1016/j.ejmech.2015.09.017
BindingDB Entry DOI: 10.7270/Q2HH6P1F |
More data for this
Ligand-Target Pair | |
Vasoactive intestinal polypeptide receptor 1
(Homo sapiens (Human)) | BDBM50498950
(CHEMBL3736230)Show SMILES CC[C@H](C)[C@H](NC(=O)CNC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(cc1)C#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(N)=O |r| Show InChI InChI=1S/C150H228N40O39S/c1-16-81(10)121(187-116(199)72-164-128(209)110(69-117(200)201)181-143(224)112(73-191)184-127(208)96(154)68-92-71-161-76-165-92)147(228)182-109(64-88-39-37-87(38-40-88)36-35-86-28-18-17-19-29-86)141(222)190-122(85(14)194)148(229)183-111(70-118(202)203)140(221)186-114(75-193)144(225)180-108(67-91-45-51-95(197)52-46-91)139(220)185-113(74-192)142(223)172-101(34-27-60-163-150(159)160)134(215)178-106(65-89-41-47-93(195)48-42-89)137(218)171-100(33-26-59-162-149(157)158)132(213)169-97(30-20-23-56-151)130(211)173-102(53-54-115(155)198)135(216)174-103(55-61-230-15)129(210)167-84(13)126(207)188-119(79(6)7)145(226)175-99(32-22-25-58-153)131(212)170-98(31-21-24-57-152)133(214)179-107(66-90-43-49-94(196)50-44-90)138(219)177-105(63-78(4)5)136(217)168-82(11)124(205)166-83(12)125(206)189-120(80(8)9)146(227)176-104(123(156)204)62-77(2)3/h17-19,28-29,37-52,71,76-85,96-114,119-122,191-197H,16,20-27,30-34,53-70,72-75,151-154H2,1-15H3,(H2,155,198)(H2,156,204)(H,161,165)(H,164,209)(H,166,205)(H,167,210)(H,168,217)(H,169,213)(H,170,212)(H,171,218)(H,172,223)(H,173,211)(H,174,216)(H,175,226)(H,176,227)(H,177,219)(H,178,215)(H,179,214)(H,180,225)(H,181,224)(H,182,228)(H,183,229)(H,184,208)(H,185,220)(H,186,221)(H,187,199)(H,188,207)(H,189,206)(H,190,222)(H,200,201)(H,202,203)(H4,157,158,162)(H4,159,160,163)/t81-,82-,83-,84-,85+,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,119-,120-,121-,122-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ du Qu£bec
Curated by ChEMBL
| Assay Description
Displacement of Ac-[125I]-PACAP27 from recombinant human VPAC1 expressed in CHO cells after 90 mins by gamma counting analysis |
Eur J Med Chem 104: 106-14 (2015)
Article DOI: 10.1016/j.ejmech.2015.09.017
BindingDB Entry DOI: 10.7270/Q2HH6P1F |
More data for this
Ligand-Target Pair | |
Vasoactive intestinal polypeptide receptor 1
(Homo sapiens (Human)) | BDBM50498950
(CHEMBL3736230)Show SMILES CC[C@H](C)[C@H](NC(=O)CNC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(cc1)C#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(N)=O |r| Show InChI InChI=1S/C150H228N40O39S/c1-16-81(10)121(187-116(199)72-164-128(209)110(69-117(200)201)181-143(224)112(73-191)184-127(208)96(154)68-92-71-161-76-165-92)147(228)182-109(64-88-39-37-87(38-40-88)36-35-86-28-18-17-19-29-86)141(222)190-122(85(14)194)148(229)183-111(70-118(202)203)140(221)186-114(75-193)144(225)180-108(67-91-45-51-95(197)52-46-91)139(220)185-113(74-192)142(223)172-101(34-27-60-163-150(159)160)134(215)178-106(65-89-41-47-93(195)48-42-89)137(218)171-100(33-26-59-162-149(157)158)132(213)169-97(30-20-23-56-151)130(211)173-102(53-54-115(155)198)135(216)174-103(55-61-230-15)129(210)167-84(13)126(207)188-119(79(6)7)145(226)175-99(32-22-25-58-153)131(212)170-98(31-21-24-57-152)133(214)179-107(66-90-43-49-94(196)50-44-90)138(219)177-105(63-78(4)5)136(217)168-82(11)124(205)166-83(12)125(206)189-120(80(8)9)146(227)176-104(123(156)204)62-77(2)3/h17-19,28-29,37-52,71,76-85,96-114,119-122,191-197H,16,20-27,30-34,53-70,72-75,151-154H2,1-15H3,(H2,155,198)(H2,156,204)(H,161,165)(H,164,209)(H,166,205)(H,167,210)(H,168,217)(H,169,213)(H,170,212)(H,171,218)(H,172,223)(H,173,211)(H,174,216)(H,175,226)(H,176,227)(H,177,219)(H,178,215)(H,179,214)(H,180,225)(H,181,224)(H,182,228)(H,183,229)(H,184,208)(H,185,220)(H,186,221)(H,187,199)(H,188,207)(H,189,206)(H,190,222)(H,200,201)(H,202,203)(H4,157,158,162)(H4,159,160,163)/t81-,82-,83-,84-,85+,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,119-,120-,121-,122-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ du Qu£bec
Curated by ChEMBL
| Assay Description
Displacement of Ac-[125I]-PACAP27 from recombinant human VPAC1 expressed in CHO cells after 90 mins by gamma counting analysis |
Eur J Med Chem 104: 106-14 (2015)
Article DOI: 10.1016/j.ejmech.2015.09.017
BindingDB Entry DOI: 10.7270/Q2HH6P1F |
More data for this
Ligand-Target Pair | |
Vasoactive intestinal polypeptide receptor 1
(Homo sapiens (Human)) | BDBM50200209
(CHEMBL219499)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 |r,wU:4.4,121.124,63.64,139.142,12.16,152.155,81.83,168.171,189.193,98.100,48.49,202.207,26.26,49.52,214.218,wD:110.113,55.56,130.133,2.2,69.70,147.151,37.37,159.162,177.180,87.89,197.202,20.22,207.211,(-37.66,-5.64,;-37.66,-7.18,;-36.32,-7.95,;-34.99,-7.18,;-36.32,-9.49,;-37.66,-10.26,;-38.99,-9.49,;-38.99,-7.95,;-40.33,-10.26,;-41.67,-9.49,;-42.98,-10.26,;-42.98,-11.8,;-44.32,-9.49,;-44.32,-7.95,;-42.98,-7.18,;-41.65,-7.94,;-42.99,-5.63,;-45.66,-10.26,;-46.99,-9.49,;-46.99,-7.95,;-48.33,-10.26,;-48.33,-11.8,;-46.99,-12.57,;-49.66,-9.49,;-51,-10.26,;-51,-11.8,;-52.33,-9.49,;-53.65,-10.26,;-52.33,-7.95,;-51,-7.18,;-49.53,-7.67,;-48.61,-6.44,;-49.49,-5.18,;-50.96,-5.63,;-34.99,-10.26,;-34.99,-11.8,;-33.65,-9.49,;-32.32,-10.26,;-32.32,-11.8,;-30.98,-12.57,;-30.99,-14.11,;-29.65,-14.88,;-28.32,-14.11,;-28.33,-12.56,;-29.66,-11.8,;-30.98,-9.49,;-30.98,-7.95,;-29.66,-10.26,;-28.33,-9.49,;-28.33,-7.95,;-29.66,-7.18,;-26.99,-7.18,;-26.99,-10.26,;-26.99,-11.8,;-25.65,-9.49,;-24.32,-10.26,;-24.32,-11.8,;-22.98,-12.57,;-22.99,-14.11,;-21.65,-11.8,;-22.98,-9.49,;-22.98,-7.95,;-21.65,-10.26,;-20.31,-9.49,;-20.31,-7.95,;-18.99,-7.18,;-18.99,-10.26,;-18.99,-11.8,;-17.66,-9.49,;-16.32,-10.26,;-16.32,-11.8,;-14.99,-12.57,;-14.99,-14.11,;-13.66,-14.88,;-12.32,-14.11,;-10.98,-14.88,;-12.33,-12.56,;-13.65,-11.8,;-14.99,-9.49,;-14.99,-7.95,;-13.65,-10.26,;-12.31,-9.49,;-12.31,-7.95,;-10.97,-7.18,;-10.97,-10.26,;-10.97,-11.8,;-9.64,-9.49,;-8.31,-10.26,;-8.31,-11.8,;-6.97,-12.57,;-6.97,-14.11,;-5.64,-14.88,;-5.64,-16.42,;-4.31,-17.19,;-6.97,-17.19,;-6.97,-9.49,;-6.97,-7.95,;-5.64,-10.26,;-4.31,-9.49,;-4.31,-7.95,;-2.97,-7.18,;-1.64,-7.96,;-.31,-7.19,;-.31,-5.65,;1.02,-4.88,;-1.65,-4.88,;-2.98,-5.65,;-2.97,-10.26,;-2.97,-11.8,;-1.64,-9.49,;-.3,-10.26,;-.3,-11.8,;1.03,-12.57,;1.03,-14.11,;2.36,-14.88,;2.36,-16.42,;3.7,-17.19,;1.03,-17.19,;1.03,-9.49,;1.03,-7.95,;2.36,-10.26,;3.7,-9.49,;3.7,-7.95,;5.03,-7.18,;5.03,-5.64,;6.36,-4.87,;6.36,-3.33,;5.03,-10.26,;5.03,-11.8,;6.36,-9.49,;7.7,-10.26,;7.7,-11.8,;9.03,-12.57,;9.03,-14.11,;7.7,-14.88,;10.36,-14.88,;9.03,-9.49,;9.03,-7.95,;10.36,-10.26,;11.7,-9.49,;11.7,-7.95,;13.03,-7.18,;13.03,-5.64,;14.37,-4.87,;13.03,-10.26,;13.03,-11.8,;14.37,-9.49,;15.7,-10.26,;15.7,-11.8,;17.03,-9.49,;17.03,-7.95,;18.37,-10.26,;19.7,-9.49,;19.7,-7.95,;21.03,-7.18,;18.37,-7.18,;21.03,-10.26,;21.03,-11.8,;22.37,-9.49,;23.7,-10.26,;23.7,-11.8,;25.04,-12.57,;25.04,-14.11,;26.37,-14.88,;26.37,-16.42,;25.04,-9.49,;25.04,-7.95,;26.37,-10.26,;27.7,-9.49,;27.7,-7.95,;29.04,-7.18,;29.04,-5.64,;30.37,-4.87,;30.37,-3.33,;29.04,-10.26,;29.04,-11.8,;30.37,-9.49,;31.7,-10.26,;31.7,-11.8,;33.04,-12.57,;33.03,-14.11,;34.36,-14.88,;35.7,-14.11,;37.03,-14.88,;35.69,-12.56,;34.37,-11.8,;33.04,-9.49,;33.04,-7.95,;34.37,-10.26,;35.7,-9.49,;35.7,-7.95,;37.04,-7.18,;37.04,-5.64,;38.37,-7.95,;37.04,-10.26,;37.04,-11.8,;38.37,-9.49,;39.71,-10.26,;39.71,-11.8,;41.04,-9.49,;41.04,-7.95,;42.37,-10.26,;43.71,-9.49,;43.71,-7.95,;45.04,-10.26,;45.04,-11.8,;46.37,-9.49,;47.71,-10.26,;47.71,-11.8,;46.37,-12.57,;49.04,-12.57,;49.04,-9.49,;49.04,-7.95,;50.37,-10.26,;51.71,-9.49,;51.71,-7.95,;53.04,-7.18,;53.04,-5.64,;54.38,-7.95,;53.04,-10.26,;54.38,-9.49,;53.04,-11.8,)| 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 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/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)
Article DOI: 10.1021/jm0609059
BindingDB Entry DOI: 10.7270/Q2VD708R |
More data for this
Ligand-Target Pair | |
Vasoactive intestinal polypeptide receptor 1
(Homo sapiens (Human)) | BDBM50250074
(CHEMBL507480 | [Bip6]PACAP27)Show SMILES CC[C@H](C)[C@H](NC(=O)CNC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(cc1)-c1ccccc1)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)C(N)=O |r,wU:26.26,12.16,4.4,54.56,55.59,69.71,87.90,104.107,127.131,145.149,158.162,174.178,195.200,208.214,220.225,wD:20.22,2.2,37.37,61.63,75.77,93.96,116.120,136.140,153.158,165.169,183.187,203.209,213.218,(4.93,2.23,;4.93,.69,;6.26,-.08,;7.6,.69,;6.26,-1.62,;4.93,-2.39,;3.6,-1.62,;3.6,-.08,;2.26,-2.39,;.93,-1.62,;-.4,-2.39,;-.4,-3.93,;-1.74,-1.62,;-1.74,-.08,;-.4,.69,;.93,-.08,;-.4,2.23,;-3.07,-2.39,;-4.4,-1.62,;-4.4,-.08,;-5.74,-2.39,;-5.74,-3.93,;-4.4,-4.7,;-7.07,-1.62,;-8.41,-2.39,;-8.41,-3.93,;-9.74,-1.62,;-11.07,-2.39,;-9.74,-.08,;-8.41,.69,;-6.99,.06,;-5.96,1.21,;-6.73,2.55,;-8.24,2.23,;7.6,-2.39,;7.6,-3.93,;8.93,-1.62,;10.27,-2.39,;10.27,-3.93,;11.6,-4.7,;11.6,-6.25,;12.94,-7.02,;14.28,-6.25,;14.28,-4.7,;12.94,-3.93,;15.61,-7.01,;15.61,-8.56,;16.95,-9.33,;18.29,-8.56,;18.28,-7,;16.94,-6.24,;11.6,-1.62,;11.6,-.08,;12.93,-2.39,;14.27,-1.62,;14.27,-.08,;12.93,.69,;15.6,.69,;15.6,-2.39,;15.6,-3.93,;16.93,-1.62,;18.27,-2.39,;18.27,-3.93,;19.6,-4.7,;20.93,-3.93,;19.6,-6.24,;19.6,-1.62,;19.6,-.08,;20.93,-2.39,;22.27,-1.62,;22.27,-.08,;23.6,.69,;23.6,-2.39,;23.6,-3.93,;24.94,-1.62,;26.27,-2.39,;26.27,-3.93,;27.6,-4.7,;28.94,-3.93,;30.28,-4.7,;30.28,-6.25,;31.61,-7.02,;28.94,-7.02,;27.6,-6.25,;27.6,-1.62,;27.6,-.08,;28.94,-2.39,;30.27,-1.62,;30.27,-.08,;31.6,.69,;31.6,-2.39,;31.6,-3.93,;32.94,-1.62,;34.27,-2.39,;34.27,-3.93,;35.61,-4.7,;35.61,-6.24,;36.94,-7.01,;36.94,-8.55,;35.61,-9.32,;38.27,-9.32,;35.61,-1.62,;35.61,-.08,;36.94,-2.39,;38.27,-1.62,;38.27,-.08,;39.61,.69,;40.94,-.08,;42.28,.69,;42.28,2.24,;43.62,3.01,;40.94,3.01,;39.61,2.24,;39.61,-2.39,;39.61,-3.93,;40.94,-1.62,;42.27,-2.39,;42.27,-3.93,;43.61,-4.7,;43.61,-6.24,;44.94,-7.01,;44.94,-8.55,;43.61,-9.32,;46.27,-9.32,;43.61,-1.62,;43.61,-.08,;44.94,-2.39,;46.27,-1.62,;46.27,-.08,;47.61,.69,;47.61,2.23,;48.94,3,;48.94,4.54,;47.61,-2.39,;47.61,-3.93,;48.94,-1.62,;50.28,-2.39,;50.28,-3.93,;51.61,-4.7,;51.61,-6.24,;50.28,-7.01,;52.94,-7.01,;51.61,-1.62,;51.61,-.08,;52.94,-2.39,;54.28,-1.62,;54.28,-.08,;55.61,.69,;55.61,2.23,;56.94,3,;55.61,-2.39,;55.61,-3.93,;56.94,-1.62,;58.28,-2.39,;58.28,-3.93,;59.61,-1.62,;59.61,-.08,;60.94,-2.39,;62.28,-1.62,;62.28,-.08,;63.61,.69,;60.94,.69,;63.61,-2.39,;63.61,-3.93,;64.95,-1.62,;66.28,-2.39,;66.28,-3.93,;67.61,-4.7,;67.61,-6.24,;68.95,-7.01,;68.95,-8.55,;67.61,-1.62,;67.61,-.08,;68.95,-2.39,;70.28,-1.62,;70.28,-.08,;71.61,.69,;71.61,2.23,;72.95,3,;72.95,4.54,;71.61,-2.39,;71.61,-3.93,;72.95,-1.62,;74.28,-2.39,;74.28,-3.93,;75.61,-4.7,;76.95,-3.93,;78.29,-4.7,;78.29,-6.25,;79.63,-7.02,;76.95,-7.02,;75.61,-6.25,;75.61,-1.62,;75.61,-.08,;76.95,-2.39,;78.28,-1.62,;78.28,-.08,;79.62,.69,;79.62,2.23,;80.95,-.08,;79.62,-2.39,;79.62,-3.93,;80.95,-1.62,;82.28,-2.39,;82.28,-3.93,;83.62,-1.62,;83.62,-.08,;84.95,-2.39,;86.28,-1.62,;86.28,-.08,;87.62,-2.39,;87.62,-3.93,;88.95,-1.62,;90.29,-2.39,;90.29,-3.93,;91.62,-4.7,;88.95,-4.7,;91.62,-1.62,;91.62,-.08,;92.95,-2.39,;94.29,-1.62,;94.29,-.08,;95.62,.69,;95.62,2.23,;96.95,-.08,;95.62,-2.39,;96.95,-1.62,;95.62,-3.93,)| Show InChI InChI=1S/C148H228N40O39S/c1-16-79(10)119(185-114(197)70-162-126(207)108(67-115(198)199)179-141(222)110(71-189)182-125(206)94(152)66-90-69-159-74-163-90)145(226)180-107(62-84-35-43-89(44-36-84)88-28-18-17-19-29-88)139(220)188-120(83(14)192)146(227)181-109(68-116(200)201)138(219)184-112(73-191)142(223)178-106(65-87-41-49-93(195)50-42-87)137(218)183-111(72-190)140(221)170-99(34-27-58-161-148(157)158)132(213)176-104(63-85-37-45-91(193)46-38-85)135(216)169-98(33-26-57-160-147(155)156)130(211)167-95(30-20-23-54-149)128(209)171-100(51-52-113(153)196)133(214)172-101(53-59-228-15)127(208)165-82(13)124(205)186-117(77(6)7)143(224)173-97(32-22-25-56-151)129(210)168-96(31-21-24-55-150)131(212)177-105(64-86-39-47-92(194)48-40-86)136(217)175-103(61-76(4)5)134(215)166-80(11)122(203)164-81(12)123(204)187-118(78(8)9)144(225)174-102(121(154)202)60-75(2)3/h17-19,28-29,35-50,69,74-83,94-112,117-120,189-195H,16,20-27,30-34,51-68,70-73,149-152H2,1-15H3,(H2,153,196)(H2,154,202)(H,159,163)(H,162,207)(H,164,203)(H,165,208)(H,166,215)(H,167,211)(H,168,210)(H,169,216)(H,170,221)(H,171,209)(H,172,214)(H,173,224)(H,174,225)(H,175,217)(H,176,213)(H,177,212)(H,178,223)(H,179,222)(H,180,226)(H,181,227)(H,182,206)(H,183,218)(H,184,219)(H,185,197)(H,186,205)(H,187,204)(H,188,220)(H,198,199)(H,200,201)(H4,155,156,160)(H4,157,158,161)/t79-,80-,81-,82-,83+,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,117-,118-,119-,120-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ du Qu£bec
Curated by ChEMBL
| Assay Description
Displacement of Ac-[125I]-PACAP27 from recombinant human VPAC1 expressed in CHO cells after 90 mins by gamma counting analysis |
Eur J Med Chem 104: 106-14 (2015)
Article DOI: 10.1016/j.ejmech.2015.09.017
BindingDB Entry DOI: 10.7270/Q2HH6P1F |
More data for this
Ligand-Target Pair | |
Vasoactive intestinal polypeptide receptor 1
(Homo sapiens (Human)) | BDBM50606528
(CHEMBL5219662)Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](C)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](CCS)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(C)C)C(C)C)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)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(O)=O |r| | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
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| n/a | n/a | 118 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01396
BindingDB Entry DOI: 10.7270/Q2RX9H5M |
More data for this
Ligand-Target Pair | |
Vasoactive intestinal polypeptide receptor 1
(Homo sapiens (Human)) | BDBM50360601
(CHEMBL1933349 | MK-0893)Show SMILES COc1ccc2cc(ccc2c1)-c1cc(nn1[C@@H](C)c1ccc(cc1)C(=O)NCCC(O)=O)-c1cc(Cl)cc(Cl)c1 |r| 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 | PDB
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| n/a | n/a | 1.16E+4 | n/a | n/a | n/a | n/a | n/a | n/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)
Article DOI: 10.1021/jm300579z
BindingDB Entry DOI: 10.7270/Q2X63P2C |
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