Found 20 hits of ec50 for UniProtKB: P41587 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 2
(Homo sapiens (Human)) | BDBM50445117
(CHEMBL3102930)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@]1(C)CCCC\C=C/CCCC[C@](C)(NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc2ccccc2)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)Cc2cnc[nH]2)C(C)C)[C@@H](C)O)[C@@H](C)O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N1)C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)NCC(=O)N[C@@H](CCCCN)C(O)=O |r,c:76| Show InChI InChI=1S/C160H258N46O45/c1-17-85(10)125(151(245)194-105(66-82(4)5)138(232)190-109(71-117(167)214)131(225)177-77-120(217)181-103(154(248)249)44-30-36-62-164)202-146(240)115(79-208)198-141(235)111(73-119(169)216)191-137(231)104(65-81(2)3)187-139(233)106(68-91-47-51-94(211)52-48-91)188-134(228)98(42-28-34-60-162)182-133(227)99(43-29-35-61-163)185-149(243)123(83(6)7)201-129(223)87(12)180-155(250)159(15)57-31-22-20-18-19-21-23-32-58-160(16,156(251)199-100(45-37-63-175-157(170)171)135(229)183-97(41-27-33-59-161)132(226)184-102(148(242)206-159)55-56-116(166)213)205-147(241)101(46-38-64-176-158(172)173)186-152(246)126(88(13)209)203-143(237)107(69-92-49-53-95(212)54-50-92)189-140(234)110(72-118(168)215)192-142(236)113(75-122(220)221)196-153(247)127(89(14)210)204-144(238)108(67-90-39-25-24-26-40-90)195-150(244)124(84(8)9)200-128(222)86(11)179-136(230)112(74-121(218)219)193-145(239)114(78-207)197-130(224)96(165)70-93-76-174-80-178-93/h18-19,24-26,39-40,47-54,76,80-89,96-115,123-127,207-212H,17,20-23,27-38,41-46,55-75,77-79,161-165H2,1-16H3,(H2,166,213)(H2,167,214)(H2,168,215)(H2,169,216)(H,174,178)(H,177,225)(H,179,230)(H,180,250)(H,181,217)(H,182,227)(H,183,229)(H,184,226)(H,185,243)(H,186,246)(H,187,233)(H,188,228)(H,189,234)(H,190,232)(H,191,231)(H,192,236)(H,193,239)(H,194,245)(H,195,244)(H,196,247)(H,197,224)(H,198,235)(H,199,251)(H,200,222)(H,201,223)(H,202,240)(H,203,237)(H,204,238)(H,205,241)(H,206,242)(H,218,219)(H,220,221)(H,248,249)(H4,170,171,175)(H4,172,173,176)/b19-18-/t85-,86-,87-,88+,89+,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,123-,124-,125-,126-,127-,159-,160-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 0.0500 | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Agonist activity at human VPAC2 expressed in CHO Flp-in cells assessed as accumulation of cAMP after 30 mins by TR-FRET assay |
ACS Med Chem Lett 4: 1163-8 (2013)
Article DOI: 10.1021/ml400257h
BindingDB Entry DOI: 10.7270/Q27P90V9 |
More data for this
Ligand-Target Pair | |
Vasoactive intestinal polypeptide receptor 2
(Homo sapiens (Human)) | BDBM50606527
(CHEMBL5220770)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](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(N)=O |r| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 0.0600 | 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 2
(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
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 0.0800 | 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 2
(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
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 0.0870 | n/a | n/a | n/a | n/a |
Bayer Pharmaceuticals Corporation
Curated by ChEMBL
| Assay Description
Activity at human VPAC2 receptor in CHO cells by measuring cAMP accumulation |
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 2
(Homo sapiens (Human)) | BDBM50445107
(CHEMBL3102924)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]1CCCCNC(=O)CC[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc2ccccc2)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)Cc2cnc[nH]2)C(C)C)[C@@H](C)O)[C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)NCC(=O)N[C@@H](CCCCN)C(O)=O |r| Show InChI InChI=1S/C155H248N46O46/c1-17-79(12)122(150(243)192-101(59-76(6)7)139(232)188-105(64-113(161)209)128(221)172-70-117(213)176-98(153(246)247)36-23-27-53-158)199-147(240)111(72-203)196-142(235)107(66-115(163)211)189-138(231)100(58-75(4)5)185-140(233)102(61-85-39-43-88(206)44-40-85)186-133(226)92-35-24-28-54-169-116(212)50-48-97(129(222)174-80(13)125(218)197-120(77(8)9)148(241)182-93(131(224)178-92)34-22-26-52-157)181-135(228)96(47-49-112(160)208)180-130(223)91(33-21-25-51-156)177-132(225)94(37-29-55-170-154(164)165)179-137(230)99(57-74(2)3)184-134(227)95(38-30-56-171-155(166)167)183-151(244)123(82(15)204)200-144(237)103(62-86-41-45-89(207)46-42-86)187-141(234)106(65-114(162)210)190-143(236)109(68-119(216)217)194-152(245)124(83(16)205)201-145(238)104(60-84-31-19-18-20-32-84)193-149(242)121(78(10)11)198-126(219)81(14)175-136(229)108(67-118(214)215)191-146(239)110(71-202)195-127(220)90(159)63-87-69-168-73-173-87/h18-20,31-32,39-46,69,73-83,90-111,120-124,202-207H,17,21-30,33-38,47-68,70-72,156-159H2,1-16H3,(H2,160,208)(H2,161,209)(H2,162,210)(H2,163,211)(H,168,173)(H,169,212)(H,172,221)(H,174,222)(H,175,229)(H,176,213)(H,177,225)(H,178,224)(H,179,230)(H,180,223)(H,181,228)(H,182,241)(H,183,244)(H,184,227)(H,185,233)(H,186,226)(H,187,234)(H,188,232)(H,189,231)(H,190,236)(H,191,239)(H,192,243)(H,193,242)(H,194,245)(H,195,220)(H,196,235)(H,197,218)(H,198,219)(H,199,240)(H,200,237)(H,201,238)(H,214,215)(H,216,217)(H,246,247)(H4,164,165,170)(H4,166,167,171)/t79-,80-,81-,82+,83+,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,120-,121-,122-,123-,124-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 0.100 | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Agonist activity at human VPAC2 expressed in CHO Flp-in cells assessed as accumulation of cAMP after 30 mins by TR-FRET assay |
ACS Med Chem Lett 4: 1163-8 (2013)
Article DOI: 10.1021/ml400257h
BindingDB Entry DOI: 10.7270/Q27P90V9 |
More data for this
Ligand-Target Pair | |
Vasoactive intestinal polypeptide receptor 2
(Homo sapiens (Human)) | BDBM50445122
(CHEMBL3102925)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](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(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@H]1CCC(=O)NCCCC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2ccc(O)cc2)NC1=O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)NCC(=O)N[C@@H](CCCCN)C(O)=O |r| Show InChI InChI=1S/C158H254N46O45/c1-19-81(13)124(152(244)178-84(16)129(221)199-122(79(9)10)150(242)185-95(37-25-29-55-160)133(225)184-100-51-53-118(214)172-57-31-27-38-96(181-144(236)109(68-116(165)212)192-141(233)103(61-77(5)6)188-143(235)105(189-136(100)228)64-88-42-46-91(208)47-43-88)137(229)202-125(82(14)20-2)153(245)195-104(62-78(7)8)142(234)191-108(67-115(164)211)131(223)175-73-119(215)179-101(156(248)249)39-26-30-56-161)201-138(230)99(50-52-114(163)210)183-132(224)94(36-24-28-54-159)180-134(226)97(40-32-58-173-157(167)168)182-140(232)102(60-76(3)4)187-135(227)98(41-33-59-174-158(169)170)186-154(246)126(85(17)206)203-147(239)106(65-89-44-48-92(209)49-45-89)190-145(237)110(69-117(166)213)193-146(238)112(71-121(218)219)197-155(247)127(86(18)207)204-148(240)107(63-87-34-22-21-23-35-87)196-151(243)123(80(11)12)200-128(220)83(15)177-139(231)111(70-120(216)217)194-149(241)113(74-205)198-130(222)93(162)66-90-72-171-75-176-90/h21-23,34-35,42-49,72,75-86,93-113,122-127,205-209H,19-20,24-33,36-41,50-71,73-74,159-162H2,1-18H3,(H2,163,210)(H2,164,211)(H2,165,212)(H2,166,213)(H,171,176)(H,172,214)(H,175,223)(H,177,231)(H,178,244)(H,179,215)(H,180,226)(H,181,236)(H,182,232)(H,183,224)(H,184,225)(H,185,242)(H,186,246)(H,187,227)(H,188,235)(H,189,228)(H,190,237)(H,191,234)(H,192,233)(H,193,238)(H,194,241)(H,195,245)(H,196,243)(H,197,247)(H,198,222)(H,199,221)(H,200,220)(H,201,230)(H,202,229)(H,203,239)(H,204,240)(H,216,217)(H,218,219)(H,248,249)(H4,167,168,173)(H4,169,170,174)/t81-,82-,83-,84-,85+,86+,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,122-,123-,124-,125-,126-,127-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 0.110 | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Agonist activity at human VPAC2 expressed in CHO Flp-in cells assessed as accumulation of cAMP after 30 mins by TR-FRET assay |
ACS Med Chem Lett 4: 1163-8 (2013)
Article DOI: 10.1021/ml400257h
BindingDB Entry DOI: 10.7270/Q27P90V9 |
More data for this
Ligand-Target Pair | |
Vasoactive intestinal polypeptide receptor 2
(Homo sapiens (Human)) | BDBM50445112
(CHEMBL3102919)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](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(=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](CC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)NCC(=O)N[C@@H](CCCCN)C(O)=O |r| Show InChI InChI=1S/C156H254N46O45/c1-19-80(13)122(150(242)176-83(16)127(219)197-120(78(9)10)148(240)182-95(38-26-30-54-159)131(223)179-94(37-25-29-53-158)133(225)186-103(62-87-42-46-90(207)47-43-87)140(232)185-101(59-76(5)6)138(230)189-108(67-116(165)212)142(234)196-112(73-204)147(239)200-123(81(14)20-2)151(243)192-102(60-77(7)8)139(231)188-106(65-114(163)210)129(221)173-71-117(213)177-99(154(246)247)39-27-31-55-160)199-135(227)98(50-51-113(162)209)181-130(222)93(36-24-28-52-157)178-132(224)96(40-32-56-171-155(166)167)180-137(229)100(58-75(3)4)184-134(226)97(41-33-57-172-156(168)169)183-152(244)124(84(17)205)201-144(236)104(63-88-44-48-91(208)49-45-88)187-141(233)107(66-115(164)211)190-143(235)110(69-119(216)217)194-153(245)125(85(18)206)202-145(237)105(61-86-34-22-21-23-35-86)193-149(241)121(79(11)12)198-126(218)82(15)175-136(228)109(68-118(214)215)191-146(238)111(72-203)195-128(220)92(161)64-89-70-170-74-174-89/h21-23,34-35,42-49,70,74-85,92-112,120-125,203-208H,19-20,24-33,36-41,50-69,71-73,157-161H2,1-18H3,(H2,162,209)(H2,163,210)(H2,164,211)(H2,165,212)(H,170,174)(H,173,221)(H,175,228)(H,176,242)(H,177,213)(H,178,224)(H,179,223)(H,180,229)(H,181,222)(H,182,240)(H,183,244)(H,184,226)(H,185,232)(H,186,225)(H,187,233)(H,188,231)(H,189,230)(H,190,235)(H,191,238)(H,192,243)(H,193,241)(H,194,245)(H,195,220)(H,196,234)(H,197,219)(H,198,218)(H,199,227)(H,200,239)(H,201,236)(H,202,237)(H,214,215)(H,216,217)(H,246,247)(H4,166,167,171)(H4,168,169,172)/t80-,81-,82-,83-,84+,85+,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,120-,121-,122-,123-,124-,125-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 0.140 | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Agonist activity at human VPAC2 expressed in CHO Flp-in cells assessed as accumulation of cAMP after 30 mins by TR-FRET assay |
ACS Med Chem Lett 4: 1163-8 (2013)
Article DOI: 10.1021/ml400257h
BindingDB Entry DOI: 10.7270/Q27P90V9 |
More data for this
Ligand-Target Pair | |
Vasoactive intestinal polypeptide receptor 2
(Homo sapiens (Human)) | BDBM50445113
(CHEMBL1981592)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)Cc1c[nH]cn1)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(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)/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
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 0.190 | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Agonist activity at human VPAC2 expressed in CHO Flp-in cells assessed as accumulation of cAMP after 30 mins by TR-FRET assay |
ACS Med Chem Lett 4: 1163-8 (2013)
Article DOI: 10.1021/ml400257h
BindingDB Entry DOI: 10.7270/Q27P90V9 |
More data for this
Ligand-Target Pair | |
Vasoactive intestinal polypeptide receptor 2
(Homo sapiens (Human)) | BDBM50445118
(CHEMBL3102929)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](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(=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@@](C)(CCCC=C)C(=O)N[C@@H](CO)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@](C)(CCCC=C)C(=O)NCC(=O)N[C@@H](CCCCN)C(O)=O |r| Show InChI InChI=1S/C164H268N44O43/c1-23-27-36-62-163(21,159(250)179-81-123(217)183-109(158(248)249)49-35-41-67-168)207-151(241)112(72-87(9)10)196-155(245)129(91(16)26-4)204-149(239)120(83-210)200-160(251)164(22,63-37-28-24-2)208-150(240)111(71-86(7)8)191-143(233)113(74-97-52-56-100(213)57-53-97)192-138(228)104(47-33-39-65-166)185-136(226)105(48-34-40-66-167)188-152(242)126(88(11)12)201-133(223)93(18)182-154(244)128(90(15)25-3)203-140(230)108(60-61-121(170)215)187-135(225)103(46-32-38-64-165)184-137(227)106(50-42-68-177-161(172)173)186-142(232)110(70-85(5)6)190-139(229)107(51-43-69-178-162(174)175)189-156(246)130(94(19)211)205-146(236)114(75-98-54-58-101(214)59-55-98)193-144(234)116(77-122(171)216)194-145(235)118(79-125(220)221)198-157(247)131(95(20)212)206-147(237)115(73-96-44-30-29-31-45-96)197-153(243)127(89(13)14)202-132(222)92(17)181-141(231)117(78-124(218)219)195-148(238)119(82-209)199-134(224)102(169)76-99-80-176-84-180-99/h23-24,29-31,44-45,52-59,80,84-95,102-120,126-131,209-214H,1-2,25-28,32-43,46-51,60-79,81-83,165-169H2,3-22H3,(H2,170,215)(H2,171,216)(H,176,180)(H,179,250)(H,181,231)(H,182,244)(H,183,217)(H,184,227)(H,185,226)(H,186,232)(H,187,225)(H,188,242)(H,189,246)(H,190,229)(H,191,233)(H,192,228)(H,193,234)(H,194,235)(H,195,238)(H,196,245)(H,197,243)(H,198,247)(H,199,224)(H,200,251)(H,201,223)(H,202,222)(H,203,230)(H,204,239)(H,205,236)(H,206,237)(H,207,241)(H,208,240)(H,218,219)(H,220,221)(H,248,249)(H4,172,173,177)(H4,174,175,178)/t90-,91-,92-,93-,94+,95+,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,126-,127-,128-,129-,130-,131-,163-,164-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 0.210 | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Agonist activity at human VPAC2 expressed in CHO Flp-in cells assessed as accumulation of cAMP after 30 mins by TR-FRET assay |
ACS Med Chem Lett 4: 1163-8 (2013)
Article DOI: 10.1021/ml400257h
BindingDB Entry DOI: 10.7270/Q27P90V9 |
More data for this
Ligand-Target Pair | |
Vasoactive intestinal polypeptide receptor 2
(Homo sapiens (Human)) | BDBM50445109
(CHEMBL3102922)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](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(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(O)=O)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](CCCCN)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)NCC(=O)N[C@@H](CCCCN)C(O)=O |r| Show InChI InChI=1S/C158H256N46O46/c1-19-81(13)124(152(245)178-84(16)129(222)199-122(79(9)10)150(243)185-95(37-25-29-55-160)133(226)184-100(51-53-119(215)216)136(229)189-105(64-88-42-46-91(208)47-43-88)143(236)188-103(61-77(5)6)141(234)192-109(68-116(166)212)144(237)181-96(38-26-30-56-161)137(230)202-125(82(14)20-2)153(246)195-104(62-78(7)8)142(235)191-108(67-115(165)211)131(224)175-73-118(214)179-101(156(249)250)39-27-31-57-162)201-138(231)99(50-52-114(164)210)183-132(225)94(36-24-28-54-159)180-134(227)97(40-32-58-173-157(168)169)182-140(233)102(60-76(3)4)187-135(228)98(41-33-59-174-158(170)171)186-154(247)126(85(17)206)203-147(240)106(65-89-44-48-92(209)49-45-89)190-145(238)110(69-117(167)213)193-146(239)112(71-121(219)220)197-155(248)127(86(18)207)204-148(241)107(63-87-34-22-21-23-35-87)196-151(244)123(80(11)12)200-128(221)83(15)177-139(232)111(70-120(217)218)194-149(242)113(74-205)198-130(223)93(163)66-90-72-172-75-176-90/h21-23,34-35,42-49,72,75-86,93-113,122-127,205-209H,19-20,24-33,36-41,50-71,73-74,159-163H2,1-18H3,(H2,164,210)(H2,165,211)(H2,166,212)(H2,167,213)(H,172,176)(H,175,224)(H,177,232)(H,178,245)(H,179,214)(H,180,227)(H,181,237)(H,182,233)(H,183,225)(H,184,226)(H,185,243)(H,186,247)(H,187,228)(H,188,236)(H,189,229)(H,190,238)(H,191,235)(H,192,234)(H,193,239)(H,194,242)(H,195,246)(H,196,244)(H,197,248)(H,198,223)(H,199,222)(H,200,221)(H,201,231)(H,202,230)(H,203,240)(H,204,241)(H,215,216)(H,217,218)(H,219,220)(H,249,250)(H4,168,169,173)(H4,170,171,174)/t81-,82-,83-,84-,85+,86+,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,122-,123-,124-,125-,126-,127-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 0.210 | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Agonist activity at human VPAC2 expressed in CHO Flp-in cells assessed as accumulation of cAMP after 30 mins by TR-FRET assay |
ACS Med Chem Lett 4: 1163-8 (2013)
Article DOI: 10.1021/ml400257h
BindingDB Entry DOI: 10.7270/Q27P90V9 |
More data for this
Ligand-Target Pair | |
Vasoactive intestinal polypeptide receptor 2
(Homo sapiens (Human)) | BDBM50445116
(CHEMBL3102931)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@]1(C)CCCC\C=C/CCCC[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](Cc2ccc(O)cc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc2ccccc2)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)Cc2cnc[nH]2)C(C)C)[C@@H](C)O)[C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)NCC(=O)N[C@@H](CCCCN)C(O)=O |r,c:49| Show InChI InChI=1S/C160H257N45O45/c1-19-85(12)125(151(244)193-105(65-82(6)7)138(231)189-109(70-117(166)213)131(224)176-76-120(216)180-102(154(247)248)43-31-36-60-163)201-146(239)115(78-207)197-141(234)111(72-119(168)215)190-137(230)104(64-81(4)5)187-139(232)108(68-92-48-52-95(211)53-49-92)198-156(250)160(18)57-33-25-23-21-20-22-24-32-56-159(17,155(249)179-87(14)129(222)200-123(83(8)9)149(242)185-100(147(240)204-160)42-30-35-59-162)205-148(241)101(54-55-116(165)212)183-132(225)97(41-29-34-58-161)181-133(226)98(44-37-61-174-157(169)170)182-136(229)103(63-80(2)3)186-134(227)99(45-38-62-175-158(171)172)184-152(245)126(88(15)208)202-143(236)106(67-91-46-50-94(210)51-47-91)188-140(233)110(71-118(167)214)191-142(235)113(74-122(219)220)195-153(246)127(89(16)209)203-144(237)107(66-90-39-27-26-28-40-90)194-150(243)124(84(10)11)199-128(221)86(13)178-135(228)112(73-121(217)218)192-145(238)114(77-206)196-130(223)96(164)69-93-75-173-79-177-93/h20-21,26-28,39-40,46-53,75,79-89,96-115,123-127,206-211H,19,22-25,29-38,41-45,54-74,76-78,161-164H2,1-18H3,(H2,165,212)(H2,166,213)(H2,167,214)(H2,168,215)(H,173,177)(H,176,224)(H,178,228)(H,179,249)(H,180,216)(H,181,226)(H,182,229)(H,183,225)(H,184,245)(H,185,242)(H,186,227)(H,187,232)(H,188,233)(H,189,231)(H,190,230)(H,191,235)(H,192,238)(H,193,244)(H,194,243)(H,195,246)(H,196,223)(H,197,234)(H,198,250)(H,199,221)(H,200,222)(H,201,239)(H,202,236)(H,203,237)(H,204,240)(H,205,241)(H,217,218)(H,219,220)(H,247,248)(H4,169,170,174)(H4,171,172,175)/b21-20-/t85-,86-,87-,88+,89+,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,123-,124-,125-,126-,127-,159-,160-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 0.330 | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Agonist activity at human VPAC2 expressed in CHO Flp-in cells assessed as accumulation of cAMP after 30 mins by TR-FRET assay |
ACS Med Chem Lett 4: 1163-8 (2013)
Article DOI: 10.1021/ml400257h
BindingDB Entry DOI: 10.7270/Q27P90V9 |
More data for this
Ligand-Target Pair | |
Vasoactive intestinal polypeptide receptor 2
(Homo sapiens (Human)) | BDBM50445110
(CHEMBL3102921)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](CCC(O)=O)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(=O)NCC(=O)N[C@@H](CCCCN)C(O)=O |r| Show InChI InChI=1S/C155H250N46O47/c1-17-79(12)122(150(244)192-101(59-76(6)7)139(233)188-105(64-113(162)209)128(222)172-70-116(212)176-98(153(247)248)36-24-28-54-159)199-147(241)111(72-203)196-142(236)107(66-115(164)211)189-138(232)100(58-75(4)5)185-140(234)102(61-85-39-43-88(206)44-40-85)186-133(227)92(34-22-26-52-157)178-131(225)93(35-23-27-53-158)182-148(242)120(77(8)9)197-125(219)80(13)174-129(223)97(48-50-117(213)214)181-135(229)96(47-49-112(161)208)180-130(224)91(33-21-25-51-156)177-132(226)94(37-29-55-170-154(165)166)179-137(231)99(57-74(2)3)184-134(228)95(38-30-56-171-155(167)168)183-151(245)123(82(15)204)200-144(238)103(62-86-41-45-89(207)46-42-86)187-141(235)106(65-114(163)210)190-143(237)109(68-119(217)218)194-152(246)124(83(16)205)201-145(239)104(60-84-31-19-18-20-32-84)193-149(243)121(78(10)11)198-126(220)81(14)175-136(230)108(67-118(215)216)191-146(240)110(71-202)195-127(221)90(160)63-87-69-169-73-173-87/h18-20,31-32,39-46,69,73-83,90-111,120-124,202-207H,17,21-30,33-38,47-68,70-72,156-160H2,1-16H3,(H2,161,208)(H2,162,209)(H2,163,210)(H2,164,211)(H,169,173)(H,172,222)(H,174,223)(H,175,230)(H,176,212)(H,177,226)(H,178,225)(H,179,231)(H,180,224)(H,181,229)(H,182,242)(H,183,245)(H,184,228)(H,185,234)(H,186,227)(H,187,235)(H,188,233)(H,189,232)(H,190,237)(H,191,240)(H,192,244)(H,193,243)(H,194,246)(H,195,221)(H,196,236)(H,197,219)(H,198,220)(H,199,241)(H,200,238)(H,201,239)(H,213,214)(H,215,216)(H,217,218)(H,247,248)(H4,165,166,170)(H4,167,168,171)/t79-,80-,81-,82+,83+,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,120-,121-,122-,123-,124-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 0.380 | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Agonist activity at human VPAC2 expressed in CHO Flp-in cells assessed as accumulation of cAMP after 30 mins by TR-FRET assay |
ACS Med Chem Lett 4: 1163-8 (2013)
Article DOI: 10.1021/ml400257h
BindingDB Entry DOI: 10.7270/Q27P90V9 |
More data for this
Ligand-Target Pair | |
Vasoactive intestinal polypeptide receptor 2
(Homo sapiens (Human)) | BDBM50445114
(CHEMBL3105020)Show SMILES [H][C@]1(NC(=O)[C@H](CO)NC(=O)[C@](C)(CCCC\C=C/CCCC[C@](C)(NC(=O)[C@H](CC(C)C)NC1=O)C(=O)NCC(=O)N[C@@H](CCCCN)C(O)=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](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@@H](C)CC)C(C)C)[C@@H](C)CC |r,c:17| Show InChI InChI=1S/C164H268N44O43/c1-21-90(13)128(154(244)182-93(16)133(223)201-126(88(9)10)152(242)188-105(48-34-40-66-167)136(226)185-104(47-33-39-65-166)138(228)192-113(74-97-52-56-100(213)57-53-97)143(233)191-111(71-86(5)6)150(240)208-164(20)63-37-28-26-24-23-25-27-36-62-163(19,159(250)179-81-123(217)183-109(158(248)249)49-35-41-67-168)207-151(241)112(72-87(7)8)196-155(245)129(91(14)22-2)204-149(239)120(83-210)200-160(164)251)203-140(230)108(60-61-121(170)215)187-135(225)103(46-32-38-64-165)184-137(227)106(50-42-68-177-161(172)173)186-142(232)110(70-85(3)4)190-139(229)107(51-43-69-178-162(174)175)189-156(246)130(94(17)211)205-146(236)114(75-98-54-58-101(214)59-55-98)193-144(234)116(77-122(171)216)194-145(235)118(79-125(220)221)198-157(247)131(95(18)212)206-147(237)115(73-96-44-30-29-31-45-96)197-153(243)127(89(11)12)202-132(222)92(15)181-141(231)117(78-124(218)219)195-148(238)119(82-209)199-134(224)102(169)76-99-80-176-84-180-99/h23-24,29-31,44-45,52-59,80,84-95,102-120,126-131,209-214H,21-22,25-28,32-43,46-51,60-79,81-83,165-169H2,1-20H3,(H2,170,215)(H2,171,216)(H,176,180)(H,179,250)(H,181,231)(H,182,244)(H,183,217)(H,184,227)(H,185,226)(H,186,232)(H,187,225)(H,188,242)(H,189,246)(H,190,229)(H,191,233)(H,192,228)(H,193,234)(H,194,235)(H,195,238)(H,196,245)(H,197,243)(H,198,247)(H,199,224)(H,200,251)(H,201,223)(H,202,222)(H,203,230)(H,204,239)(H,205,236)(H,206,237)(H,207,241)(H,208,240)(H,218,219)(H,220,221)(H,248,249)(H4,172,173,177)(H4,174,175,178)/b24-23-/t90-,91-,92-,93-,94+,95+,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,126-,127-,128-,129-,130-,131-,163-,164-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 0.390 | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Agonist activity at human VPAC2 expressed in CHO Flp-in cells assessed as accumulation of cAMP after 30 mins by TR-FRET assay |
ACS Med Chem Lett 4: 1163-8 (2013)
Article DOI: 10.1021/ml400257h
BindingDB Entry DOI: 10.7270/Q27P90V9 |
More data for this
Ligand-Target Pair | |
Vasoactive intestinal polypeptide receptor 2
(Homo sapiens (Human)) | BDBM50200210
(Ac-HSDAVFTDQYTRLRKQVAAKKYLQSIKQKRYC | CHEMBL440082)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCC(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](C)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](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](CCC(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](Cc1cnc[nH]1)NC(C)=O)C(C)C)[C@@H](C)O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=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](CS)C(O)=O |r| Show InChI InChI=1S/C174H280N52O49S/c1-17-90(10)137(168(271)209-109(40-25-30-68-179)146(249)205-113(56-60-129(180)235)151(254)202-106(37-22-27-65-176)144(247)203-111(42-32-70-192-173(186)187)149(252)214-120(76-99-46-52-103(233)53-47-99)159(262)221-128(84-276)171(274)275)224-165(268)127(83-228)219-153(256)115(58-62-131(182)237)207-157(260)118(73-87(4)5)212-158(261)119(75-98-44-50-102(232)51-45-98)213-148(251)108(39-24-29-67-178)201-143(246)105(36-21-26-64-175)199-141(244)92(12)195-140(243)91(11)197-166(269)135(88(6)7)223-154(257)116(59-63-132(183)238)206-145(248)107(38-23-28-66-177)200-147(250)110(41-31-69-191-172(184)185)204-156(259)117(72-86(2)3)211-150(253)112(43-33-71-193-174(188)189)210-169(272)138(94(14)229)225-162(265)121(77-100-48-54-104(234)55-49-100)215-152(255)114(57-61-130(181)236)208-161(264)125(80-134(241)242)218-170(273)139(95(15)230)226-163(266)122(74-97-34-19-18-20-35-97)217-167(270)136(89(8)9)222-142(245)93(13)196-155(258)124(79-133(239)240)216-164(267)126(82-227)220-160(263)123(198-96(16)231)78-101-81-190-85-194-101/h18-20,34-35,44-55,81,85-95,105-128,135-139,227-230,232-234,276H,17,21-33,36-43,56-80,82-84,175-179H2,1-16H3,(H2,180,235)(H2,181,236)(H2,182,237)(H2,183,238)(H,190,194)(H,195,243)(H,196,258)(H,197,269)(H,198,231)(H,199,244)(H,200,250)(H,201,246)(H,202,254)(H,203,247)(H,204,259)(H,205,249)(H,206,248)(H,207,260)(H,208,264)(H,209,271)(H,210,272)(H,211,253)(H,212,261)(H,213,251)(H,214,252)(H,215,255)(H,216,267)(H,217,270)(H,218,273)(H,219,256)(H,220,263)(H,221,262)(H,222,245)(H,223,257)(H,224,268)(H,225,265)(H,226,266)(H,239,240)(H,241,242)(H,274,275)(H4,184,185,191)(H4,186,187,192)(H4,188,189,193)/t90-,91-,92-,93-,94+,95+,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,135-,136-,137-,138-,139-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 0.600 | n/a | n/a | n/a | n/a |
Bayer Pharmaceuticals Corporation
Curated by ChEMBL
| Assay Description
Activity at human VPAC2 receptor in CHO cells by measuring cAMP accumulation |
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 2
(Homo sapiens (Human)) | BDBM50445108
(CHEMBL3102923)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]1CCCCNC(=O)CC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc2ccccc2)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)Cc2cnc[nH]2)C(C)C)[C@@H](C)O)[C@@H](C)O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N1)C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)NCC(=O)N[C@@H](CCCCN)C(O)=O |r| Show InChI InChI=1S/C155H249N47O46/c1-15-79(10)122(150(244)193-101(60-76(4)5)139(233)189-105(65-113(162)210)128(222)173-71-117(214)177-99(153(247)248)37-22-27-55-159)200-147(241)111(73-204)197-142(236)107(67-115(164)212)190-138(232)100(59-75(2)3)186-140(234)102(62-85-40-44-88(207)45-41-85)187-134(228)93(34-20-25-53-157)180-131(225)94(35-21-26-54-158)184-148(242)120(77(6)7)198-125(219)80(11)175-129(223)91-36-23-28-56-170-116(213)51-49-98(136(230)181-95(38-29-57-171-154(165)166)132(226)179-92(33-19-24-52-156)130(224)182-97(135(229)178-91)48-50-112(161)209)183-133(227)96(39-30-58-172-155(167)168)185-151(245)123(82(13)205)201-144(238)103(63-86-42-46-89(208)47-43-86)188-141(235)106(66-114(163)211)191-143(237)109(69-119(217)218)195-152(246)124(83(14)206)202-145(239)104(61-84-31-17-16-18-32-84)194-149(243)121(78(8)9)199-126(220)81(12)176-137(231)108(68-118(215)216)192-146(240)110(72-203)196-127(221)90(160)64-87-70-169-74-174-87/h16-18,31-32,40-47,70,74-83,90-111,120-124,203-208H,15,19-30,33-39,48-69,71-73,156-160H2,1-14H3,(H2,161,209)(H2,162,210)(H2,163,211)(H2,164,212)(H,169,174)(H,170,213)(H,173,222)(H,175,223)(H,176,231)(H,177,214)(H,178,229)(H,179,226)(H,180,225)(H,181,230)(H,182,224)(H,183,227)(H,184,242)(H,185,245)(H,186,234)(H,187,228)(H,188,235)(H,189,233)(H,190,232)(H,191,237)(H,192,240)(H,193,244)(H,194,243)(H,195,246)(H,196,221)(H,197,236)(H,198,219)(H,199,220)(H,200,241)(H,201,238)(H,202,239)(H,215,216)(H,217,218)(H,247,248)(H4,165,166,171)(H4,167,168,172)/t79-,80-,81-,82+,83+,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,120-,121-,122-,123-,124-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 1.20 | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Agonist activity at human VPAC2 expressed in CHO Flp-in cells assessed as accumulation of cAMP after 30 mins by TR-FRET assay |
ACS Med Chem Lett 4: 1163-8 (2013)
Article DOI: 10.1021/ml400257h
BindingDB Entry DOI: 10.7270/Q27P90V9 |
More data for this
Ligand-Target Pair | |
Vasoactive intestinal polypeptide receptor 2
(Homo sapiens (Human)) | BDBM50445121
(CHEMBL3102926)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@](C)(CCCC=C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@](C)(CCCC=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(=O)NCC(=O)N[C@@H](CCCCN)C(O)=O |r| Show InChI InChI=1S/C160H258N46O45/c1-19-22-31-57-159(17,155(250)180-87(14)129(223)201-123(83(8)9)149(243)185-99(43-29-35-61-163)133(227)182-98(42-28-34-60-162)134(228)188-106(68-91-47-51-94(211)52-48-91)139(233)187-104(65-81(4)5)137(231)191-111(73-119(169)216)141(235)198-115(79-208)146(240)202-125(85(12)21-3)151(245)194-105(66-82(6)7)138(232)190-109(71-117(167)214)131(225)177-77-120(217)181-103(154(248)249)44-30-36-62-164)206-148(242)102(55-56-116(166)213)184-132(226)97(41-27-33-59-161)183-135(229)100(45-37-63-175-157(170)171)199-156(251)160(18,58-32-23-20-2)205-147(241)101(46-38-64-176-158(172)173)186-152(246)126(88(15)209)203-143(237)107(69-92-49-53-95(212)54-50-92)189-140(234)110(72-118(168)215)192-142(236)113(75-122(220)221)196-153(247)127(89(16)210)204-144(238)108(67-90-39-25-24-26-40-90)195-150(244)124(84(10)11)200-128(222)86(13)179-136(230)112(74-121(218)219)193-145(239)114(78-207)197-130(224)96(165)70-93-76-174-80-178-93/h19-20,24-26,39-40,47-54,76,80-89,96-115,123-127,207-212H,1-2,21-23,27-38,41-46,55-75,77-79,161-165H2,3-18H3,(H2,166,213)(H2,167,214)(H2,168,215)(H2,169,216)(H,174,178)(H,177,225)(H,179,230)(H,180,250)(H,181,217)(H,182,227)(H,183,229)(H,184,226)(H,185,243)(H,186,246)(H,187,233)(H,188,228)(H,189,234)(H,190,232)(H,191,231)(H,192,236)(H,193,239)(H,194,245)(H,195,244)(H,196,247)(H,197,224)(H,198,235)(H,199,251)(H,200,222)(H,201,223)(H,202,240)(H,203,237)(H,204,238)(H,205,241)(H,206,242)(H,218,219)(H,220,221)(H,248,249)(H4,170,171,175)(H4,172,173,176)/t85-,86-,87-,88+,89+,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,123-,124-,125-,126-,127-,159-,160-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 1.40 | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Agonist activity at human VPAC2 expressed in CHO Flp-in cells assessed as accumulation of cAMP after 30 mins by TR-FRET assay |
ACS Med Chem Lett 4: 1163-8 (2013)
Article DOI: 10.1021/ml400257h
BindingDB Entry DOI: 10.7270/Q27P90V9 |
More data for this
Ligand-Target Pair | |
Vasoactive intestinal polypeptide receptor 2
(Homo sapiens (Human)) | BDBM50445120
(CHEMBL3102927)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@](C)(CCCC=C)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@](C)(CCCC=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(=O)NCC(=O)N[C@@H](CCCCN)C(O)=O |r| Show InChI InChI=1S/C160H257N45O45/c1-21-24-32-56-159(19,155(249)179-87(16)129(222)200-123(83(10)11)149(242)185-100(42-30-35-59-162)147(240)204-160(20,57-33-25-22-2)156(250)198-108(68-92-48-52-95(211)53-49-92)139(232)187-104(64-81(6)7)137(230)190-111(72-119(168)215)141(234)197-115(78-207)146(239)201-125(85(14)23-3)151(244)193-105(65-82(8)9)138(231)189-109(70-117(166)213)131(224)176-76-120(216)180-102(154(247)248)43-31-36-60-163)205-148(241)101(54-55-116(165)212)183-132(225)97(41-29-34-58-161)181-133(226)98(44-37-61-174-157(169)170)182-136(229)103(63-80(4)5)186-134(227)99(45-38-62-175-158(171)172)184-152(245)126(88(17)208)202-143(236)106(67-91-46-50-94(210)51-47-91)188-140(233)110(71-118(167)214)191-142(235)113(74-122(219)220)195-153(246)127(89(18)209)203-144(237)107(66-90-39-27-26-28-40-90)194-150(243)124(84(12)13)199-128(221)86(15)178-135(228)112(73-121(217)218)192-145(238)114(77-206)196-130(223)96(164)69-93-75-173-79-177-93/h21-22,26-28,39-40,46-53,75,79-89,96-115,123-127,206-211H,1-2,23-25,29-38,41-45,54-74,76-78,161-164H2,3-20H3,(H2,165,212)(H2,166,213)(H2,167,214)(H2,168,215)(H,173,177)(H,176,224)(H,178,228)(H,179,249)(H,180,216)(H,181,226)(H,182,229)(H,183,225)(H,184,245)(H,185,242)(H,186,227)(H,187,232)(H,188,233)(H,189,231)(H,190,230)(H,191,235)(H,192,238)(H,193,244)(H,194,243)(H,195,246)(H,196,223)(H,197,234)(H,198,250)(H,199,221)(H,200,222)(H,201,239)(H,202,236)(H,203,237)(H,204,240)(H,205,241)(H,217,218)(H,219,220)(H,247,248)(H4,169,170,174)(H4,171,172,175)/t85-,86-,87-,88+,89+,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,123-,124-,125-,126-,127-,159-,160-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 1.5 | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Agonist activity at human VPAC2 expressed in CHO Flp-in cells assessed as accumulation of cAMP after 30 mins by TR-FRET assay |
ACS Med Chem Lett 4: 1163-8 (2013)
Article DOI: 10.1021/ml400257h
BindingDB Entry DOI: 10.7270/Q27P90V9 |
More data for this
Ligand-Target Pair | |
Vasoactive intestinal polypeptide receptor 2
(Homo sapiens (Human)) | BDBM50445115
(CHEMBL3105019)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](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(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@]1(C)CCCC\C=C/CCCC[C@](C)(NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2ccc(O)cc2)NC1=O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)NCC(=O)N[C@@H](CCCCN)C(O)=O |r,c:176| Show InChI InChI=1S/C163H263N45O44/c1-21-87(13)127(153(245)182-90(16)132(224)201-125(85(9)10)151(243)188-103(45-33-38-62-165)149(241)207-162(19)59-35-27-25-23-24-26-28-36-60-163(20,208-150(242)114(75-121(171)217)194-141(233)107(67-83(5)6)190-143(235)111(200-158(162)251)71-95-51-55-98(213)56-52-95)159(252)206-128(88(14)22-2)154(246)196-108(68-84(7)8)142(234)192-112(73-119(169)215)134(226)179-79-122(218)183-105(157(249)250)46-34-39-63-166)203-138(230)104(57-58-118(168)214)186-135(227)100(44-32-37-61-164)184-136(228)101(47-40-64-177-160(172)173)185-140(232)106(66-82(3)4)189-137(229)102(48-41-65-178-161(174)175)187-155(247)129(91(17)210)204-146(238)109(70-94-49-53-97(212)54-50-94)191-144(236)113(74-120(170)216)193-145(237)116(77-124(221)222)198-156(248)130(92(18)211)205-147(239)110(69-93-42-30-29-31-43-93)197-152(244)126(86(11)12)202-131(223)89(15)181-139(231)115(76-123(219)220)195-148(240)117(80-209)199-133(225)99(167)72-96-78-176-81-180-96/h23-24,29-31,42-43,49-56,78,81-92,99-117,125-130,209-213H,21-22,25-28,32-41,44-48,57-77,79-80,164-167H2,1-20H3,(H2,168,214)(H2,169,215)(H2,170,216)(H2,171,217)(H,176,180)(H,179,226)(H,181,231)(H,182,245)(H,183,218)(H,184,228)(H,185,232)(H,186,227)(H,187,247)(H,188,243)(H,189,229)(H,190,235)(H,191,236)(H,192,234)(H,193,237)(H,194,233)(H,195,240)(H,196,246)(H,197,244)(H,198,248)(H,199,225)(H,200,251)(H,201,224)(H,202,223)(H,203,230)(H,204,238)(H,205,239)(H,206,252)(H,207,241)(H,208,242)(H,219,220)(H,221,222)(H,249,250)(H4,172,173,177)(H4,174,175,178)/b24-23-/t87-,88-,89-,90-,91+,92+,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,125-,126-,127-,128-,129-,130-,162-,163-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 1.5 | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Agonist activity at human VPAC2 expressed in CHO Flp-in cells assessed as accumulation of cAMP after 30 mins by TR-FRET assay |
ACS Med Chem Lett 4: 1163-8 (2013)
Article DOI: 10.1021/ml400257h
BindingDB Entry DOI: 10.7270/Q27P90V9 |
More data for this
Ligand-Target Pair | |
Vasoactive intestinal polypeptide receptor 2
(Homo sapiens (Human)) | BDBM50445119
(CHEMBL3102928)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](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(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@](C)(CCCC=C)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@@](C)(CCCC=C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)NCC(=O)N[C@@H](CCCCN)C(O)=O |r| Show InChI InChI=1S/C163H263N45O44/c1-23-27-35-59-162(21,158(251)200-111(71-95-51-55-98(213)56-52-95)143(235)190-107(67-83(7)8)141(233)194-114(75-121(171)217)150(242)208-163(22,60-36-28-24-2)159(252)206-128(88(16)26-4)154(246)196-108(68-84(9)10)142(234)192-112(73-119(169)215)134(226)179-79-122(218)183-105(157(249)250)46-34-39-63-166)207-149(241)103(45-33-38-62-165)188-151(243)125(85(11)12)201-132(224)90(18)182-153(245)127(87(15)25-3)203-138(230)104(57-58-118(168)214)186-135(227)100(44-32-37-61-164)184-136(228)101(47-40-64-177-160(172)173)185-140(232)106(66-82(5)6)189-137(229)102(48-41-65-178-161(174)175)187-155(247)129(91(19)210)204-146(238)109(70-94-49-53-97(212)54-50-94)191-144(236)113(74-120(170)216)193-145(237)116(77-124(221)222)198-156(248)130(92(20)211)205-147(239)110(69-93-42-30-29-31-43-93)197-152(244)126(86(13)14)202-131(223)89(17)181-139(231)115(76-123(219)220)195-148(240)117(80-209)199-133(225)99(167)72-96-78-176-81-180-96/h23-24,29-31,42-43,49-56,78,81-92,99-117,125-130,209-213H,1-2,25-28,32-41,44-48,57-77,79-80,164-167H2,3-22H3,(H2,168,214)(H2,169,215)(H2,170,216)(H2,171,217)(H,176,180)(H,179,226)(H,181,231)(H,182,245)(H,183,218)(H,184,228)(H,185,232)(H,186,227)(H,187,247)(H,188,243)(H,189,229)(H,190,235)(H,191,236)(H,192,234)(H,193,237)(H,194,233)(H,195,240)(H,196,246)(H,197,244)(H,198,248)(H,199,225)(H,200,251)(H,201,224)(H,202,223)(H,203,230)(H,204,238)(H,205,239)(H,206,252)(H,207,241)(H,208,242)(H,219,220)(H,221,222)(H,249,250)(H4,172,173,177)(H4,174,175,178)/t87-,88-,89-,90-,91+,92+,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,125-,126-,127-,128-,129-,130-,162-,163-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 3.80 | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Agonist activity at human VPAC2 expressed in CHO Flp-in cells assessed as accumulation of cAMP after 30 mins by TR-FRET assay |
ACS Med Chem Lett 4: 1163-8 (2013)
Article DOI: 10.1021/ml400257h
BindingDB Entry DOI: 10.7270/Q27P90V9 |
More data for this
Ligand-Target Pair | |
Vasoactive intestinal polypeptide receptor 2
(Homo sapiens (Human)) | BDBM50445111
(CHEMBL3102920)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](CCCCN)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCC(O)=O)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(=O)NCC(=O)N[C@@H](CCCCN)C(O)=O |r| Show InChI InChI=1S/C155H251N47O47/c1-15-79(10)122(150(245)193-101(60-76(4)5)139(234)189-105(65-113(163)210)128(223)173-71-116(213)177-99(153(248)249)37-23-28-56-160)200-147(242)111(73-204)197-142(237)107(67-115(165)212)190-138(233)100(59-75(2)3)186-140(235)102(62-85-40-44-88(207)45-41-85)187-134(229)93(35-21-26-54-158)180-131(226)94(36-22-27-55-159)184-148(243)120(77(6)7)198-125(220)80(11)175-129(224)91(33-19-24-52-156)178-135(230)97(48-50-112(162)209)182-130(225)92(34-20-25-53-157)179-132(227)95(38-29-57-171-154(166)167)181-136(231)98(49-51-117(214)215)183-133(228)96(39-30-58-172-155(168)169)185-151(246)123(82(13)205)201-144(239)103(63-86-42-46-89(208)47-43-86)188-141(236)106(66-114(164)211)191-143(238)109(69-119(218)219)195-152(247)124(83(14)206)202-145(240)104(61-84-31-17-16-18-32-84)194-149(244)121(78(8)9)199-126(221)81(12)176-137(232)108(68-118(216)217)192-146(241)110(72-203)196-127(222)90(161)64-87-70-170-74-174-87/h16-18,31-32,40-47,70,74-83,90-111,120-124,203-208H,15,19-30,33-39,48-69,71-73,156-161H2,1-14H3,(H2,162,209)(H2,163,210)(H2,164,211)(H2,165,212)(H,170,174)(H,173,223)(H,175,224)(H,176,232)(H,177,213)(H,178,230)(H,179,227)(H,180,226)(H,181,231)(H,182,225)(H,183,228)(H,184,243)(H,185,246)(H,186,235)(H,187,229)(H,188,236)(H,189,234)(H,190,233)(H,191,238)(H,192,241)(H,193,245)(H,194,244)(H,195,247)(H,196,222)(H,197,237)(H,198,220)(H,199,221)(H,200,242)(H,201,239)(H,202,240)(H,214,215)(H,216,217)(H,218,219)(H,248,249)(H4,166,167,171)(H4,168,169,172)/t79-,80-,81-,82+,83+,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,120-,121-,122-,123-,124-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 6.60 | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Agonist activity at human VPAC2 expressed in CHO Flp-in cells assessed as accumulation of cAMP after 30 mins by TR-FRET assay |
ACS Med Chem Lett 4: 1163-8 (2013)
Article DOI: 10.1021/ml400257h
BindingDB Entry DOI: 10.7270/Q27P90V9 |
More data for this
Ligand-Target Pair | |
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