Found 6 hits for monomerid = 50200209 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)) | BDBM50200209
((2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2...)Show SMILES CC[C@H](C)[C@H](NC(=O)CNC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)C(O)=O |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
UniProtKB/TrEMBL
B.MOAD
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 13 | 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 VPAC2 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 2
(Homo sapiens (Human)) | BDBM50200209
((2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2...)Show SMILES CC[C@H](C)[C@H](NC(=O)CNC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)C(O)=O |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
UniProtKB/TrEMBL
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 | |
VIPR1
(Homo sapiens (Human)) | BDBM50200209
((2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2...)Show SMILES CC[C@H](C)[C@H](NC(=O)CNC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)C(O)=O |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 | 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 VPAC1 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 | |
VIPR1
(Homo sapiens (Human)) | BDBM50200209
((2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2...)Show SMILES CC[C@H](C)[C@H](NC(=O)CNC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)C(O)=O |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 | |
Pituitary adenylate cyclase-activating polypeptide type I receptor
(Homo sapiens (Human)) | BDBM50200209
((2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2...)Show SMILES CC[C@H](C)[C@H](NC(=O)CNC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)C(O)=O |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
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 0.130 | n/a | n/a | n/a | n/a |
Bayer Pharmaceuticals Corporation
Curated by ChEMBL
| Assay Description
Activity at human PAC1 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 | |
Pituitary adenylate cyclase-activating polypeptide type I receptor
(Homo sapiens (Human)) | BDBM50200209
((2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2...)Show SMILES CC[C@H](C)[C@H](NC(=O)CNC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)C(O)=O |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
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3 | 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 PAC1 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 | |
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