Found 2 hits for monomerid = 50250048 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 |
|---|
Pituitary adenylate cyclase-activating polypeptide type I receptor
(Homo sapiens (Human)) | BDBM50250048
(CHEMBL525207 | [N-Me-Asp3]PACAP27)Show SMILES CC[C@H](C)[C@H](NC(=O)CNC(=O)[C@H](CC(O)=O)N(C)C(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)C(N)=O |r,wU:27.27,12.16,4.4,49.50,50.53,64.65,82.84,99.101,122.125,140.143,153.156,169.172,190.194,203.208,215.219,wD:21.23,2.2,38.38,56.57,70.71,88.90,111.114,131.134,148.152,160.163,178.181,198.203,208.212,(4.05,-22.05,;4.03,-23.59,;5.36,-24.38,;6.7,-23.62,;5.34,-25.92,;3.99,-26.67,;2.67,-25.88,;2.69,-24.34,;1.33,-26.64,;0,-25.85,;-1.34,-26.6,;-1.36,-28.14,;-2.67,-25.82,;-2.65,-24.28,;-1.3,-23.52,;.02,-24.31,;-1.28,-21.98,;-4.01,-26.57,;-4.03,-28.11,;-5.33,-25.78,;-5.31,-24.24,;-6.68,-26.54,;-6.7,-28.07,;-7.81,-29.14,;-8,-25.75,;-9.34,-26.5,;-9.36,-28.04,;-10.67,-25.72,;-12.01,-26.47,;-10.65,-24.18,;-9.3,-23.42,;-7.9,-24.07,;-6.85,-22.93,;-7.61,-21.59,;-9.12,-21.89,;6.66,-26.7,;6.64,-28.24,;8,-25.95,;9.33,-26.74,;9.31,-28.28,;10.63,-29.06,;11.98,-28.31,;13.31,-29.1,;13.29,-30.64,;11.94,-31.4,;10.61,-30.61,;10.67,-25.98,;10.69,-24.44,;11.99,-26.77,;13.34,-26.02,;13.36,-24.48,;12.03,-23.69,;14.7,-23.72,;14.66,-26.8,;14.64,-28.34,;16,-26.05,;17.33,-26.84,;17.31,-28.38,;18.63,-29.16,;19.98,-28.41,;18.61,-30.7,;18.67,-26.08,;18.69,-24.54,;20,-26.87,;21.34,-26.12,;21.36,-24.58,;22.7,-23.83,;22.66,-26.9,;22.64,-28.44,;24.01,-26.15,;25.33,-26.94,;25.31,-28.48,;26.63,-29.26,;27.98,-28.51,;29.31,-29.3,;29.29,-30.84,;30.61,-31.63,;27.94,-31.6,;26.61,-30.81,;26.67,-26.18,;26.69,-24.65,;28,-26.97,;29.34,-26.22,;29.36,-24.68,;30.7,-23.93,;30.66,-27,;30.64,-28.54,;32.01,-26.25,;33.33,-27.04,;33.31,-28.58,;34.63,-29.36,;34.62,-30.9,;35.94,-31.69,;35.92,-33.23,;34.58,-33.98,;37.24,-34.02,;34.67,-26.29,;34.69,-24.75,;36,-27.07,;37.34,-26.32,;37.36,-24.78,;38.7,-24.03,;40.03,-24.81,;41.38,-24.06,;41.4,-22.51,;42.74,-21.76,;40.07,-21.72,;38.72,-22.48,;38.66,-27.11,;38.65,-28.65,;40.01,-26.35,;41.33,-27.14,;41.31,-28.68,;42.64,-29.47,;42.62,-31,;43.94,-31.79,;43.92,-33.33,;42.58,-34.08,;45.25,-34.12,;42.67,-26.39,;42.69,-24.85,;44,-27.17,;45.34,-26.42,;45.36,-24.88,;46.7,-24.13,;46.72,-22.59,;48.07,-21.83,;48.09,-20.29,;46.67,-27.21,;46.65,-28.75,;48.01,-26.45,;49.33,-27.24,;49.31,-28.78,;50.64,-29.57,;50.62,-31.11,;49.28,-31.86,;51.94,-31.89,;50.68,-26.49,;50.7,-24.95,;52,-27.27,;53.34,-26.52,;53.36,-24.98,;54.71,-24.23,;54.72,-22.69,;56.07,-21.93,;54.67,-27.31,;54.65,-28.85,;56.01,-26.55,;57.33,-27.34,;57.31,-28.88,;58.68,-26.59,;58.7,-25.05,;60,-27.37,;61.34,-26.62,;61.36,-25.08,;62.71,-24.33,;60.04,-24.29,;62.67,-27.41,;62.65,-28.95,;64.01,-26.65,;65.34,-27.44,;65.32,-28.98,;66.64,-29.77,;66.62,-31.31,;67.94,-32.09,;67.93,-33.63,;66.68,-26.69,;66.7,-25.15,;68,-27.47,;69.35,-26.72,;69.36,-25.18,;70.71,-24.43,;70.73,-22.89,;72.07,-22.13,;72.09,-20.59,;70.67,-27.51,;70.65,-29.05,;72.01,-26.75,;73.34,-27.54,;73.32,-29.08,;74.64,-29.87,;75.99,-29.11,;77.32,-29.9,;77.3,-31.45,;78.62,-32.23,;75.95,-32.2,;74.62,-31.41,;74.68,-26.79,;74.7,-25.25,;76,-27.57,;77.35,-26.82,;77.37,-25.28,;78.71,-24.53,;78.73,-22.99,;80.03,-25.31,;78.67,-27.61,;78.65,-29.15,;80.01,-26.85,;81.34,-27.64,;81.32,-29.18,;82.68,-26.89,;82.7,-25.35,;84,-27.67,;85.35,-26.92,;85.37,-25.38,;86.67,-27.71,;86.65,-29.25,;88.02,-26.95,;89.34,-27.74,;89.32,-29.28,;90.64,-30.07,;87.98,-30.03,;90.68,-26.99,;90.7,-25.45,;92.01,-27.77,;93.35,-27.02,;93.37,-25.48,;94.71,-24.73,;94.73,-23.19,;96.04,-25.51,;94.67,-27.81,;96.02,-27.05,;94.65,-29.35,)| Show InChI InChI=1S/C143H226N40O39S/c1-17-76(10)114(179-109(192)67-157-136(217)107(65-111(195)196)183(15)141(222)106(70-186)178-120(201)89(147)63-85-66-154-71-158-85)139(220)174-102(59-81-29-19-18-20-30-81)133(214)182-115(80(14)187)140(221)175-103(64-110(193)194)132(213)177-105(69-185)135(216)173-101(62-84-40-46-88(190)47-41-84)131(212)176-104(68-184)134(215)165-94(35-28-55-156-143(152)153)126(207)171-99(60-82-36-42-86(188)43-37-82)129(210)164-93(34-27-54-155-142(150)151)124(205)162-90(31-21-24-51-144)122(203)166-95(48-49-108(148)191)127(208)167-96(50-56-223-16)121(202)160-79(13)119(200)180-112(74(6)7)137(218)168-92(33-23-26-53-146)123(204)163-91(32-22-25-52-145)125(206)172-100(61-83-38-44-87(189)45-39-83)130(211)170-98(58-73(4)5)128(209)161-77(11)117(198)159-78(12)118(199)181-113(75(8)9)138(219)169-97(116(149)197)57-72(2)3/h18-20,29-30,36-47,66,71-80,89-107,112-115,184-190H,17,21-28,31-35,48-65,67-70,144-147H2,1-16H3,(H2,148,191)(H2,149,197)(H,154,158)(H,157,217)(H,159,198)(H,160,202)(H,161,209)(H,162,205)(H,163,204)(H,164,210)(H,165,215)(H,166,203)(H,167,208)(H,168,218)(H,169,219)(H,170,211)(H,171,207)(H,172,206)(H,173,216)(H,174,220)(H,175,221)(H,176,212)(H,177,213)(H,178,201)(H,179,192)(H,180,200)(H,181,199)(H,182,214)(H,193,194)(H,195,196)(H4,150,151,155)(H4,152,153,156)/t76-,77-,78-,79-,80+,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,112-,113-,114-,115-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 25.2 | n/a | n/a | n/a | n/a | n/a | n/a |
Institut National de la Recherche Scientifique
Curated by ChEMBL
| Assay Description
Displacement of [125I]Ac-PACAP27 from human recombinant PAC1 receptor expressed in CHO cells by gamma- counter |
J Med Chem 52: 3308-16 (2009)
Article DOI: 10.1021/jm900291j
BindingDB Entry DOI: 10.7270/Q29023PC |
More data for this
Ligand-Target Pair | |
Pituitary adenylate cyclase-activating polypeptide type I receptor
(Homo sapiens (Human)) | BDBM50250048
(CHEMBL525207 | [N-Me-Asp3]PACAP27)Show SMILES CC[C@H](C)[C@H](NC(=O)CNC(=O)[C@H](CC(O)=O)N(C)C(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)C(N)=O |r,wU:27.27,12.16,4.4,49.50,50.53,64.65,82.84,99.101,122.125,140.143,153.156,169.172,190.194,203.208,215.219,wD:21.23,2.2,38.38,56.57,70.71,88.90,111.114,131.134,148.152,160.163,178.181,198.203,208.212,(4.05,-22.05,;4.03,-23.59,;5.36,-24.38,;6.7,-23.62,;5.34,-25.92,;3.99,-26.67,;2.67,-25.88,;2.69,-24.34,;1.33,-26.64,;0,-25.85,;-1.34,-26.6,;-1.36,-28.14,;-2.67,-25.82,;-2.65,-24.28,;-1.3,-23.52,;.02,-24.31,;-1.28,-21.98,;-4.01,-26.57,;-4.03,-28.11,;-5.33,-25.78,;-5.31,-24.24,;-6.68,-26.54,;-6.7,-28.07,;-7.81,-29.14,;-8,-25.75,;-9.34,-26.5,;-9.36,-28.04,;-10.67,-25.72,;-12.01,-26.47,;-10.65,-24.18,;-9.3,-23.42,;-7.9,-24.07,;-6.85,-22.93,;-7.61,-21.59,;-9.12,-21.89,;6.66,-26.7,;6.64,-28.24,;8,-25.95,;9.33,-26.74,;9.31,-28.28,;10.63,-29.06,;11.98,-28.31,;13.31,-29.1,;13.29,-30.64,;11.94,-31.4,;10.61,-30.61,;10.67,-25.98,;10.69,-24.44,;11.99,-26.77,;13.34,-26.02,;13.36,-24.48,;12.03,-23.69,;14.7,-23.72,;14.66,-26.8,;14.64,-28.34,;16,-26.05,;17.33,-26.84,;17.31,-28.38,;18.63,-29.16,;19.98,-28.41,;18.61,-30.7,;18.67,-26.08,;18.69,-24.54,;20,-26.87,;21.34,-26.12,;21.36,-24.58,;22.7,-23.83,;22.66,-26.9,;22.64,-28.44,;24.01,-26.15,;25.33,-26.94,;25.31,-28.48,;26.63,-29.26,;27.98,-28.51,;29.31,-29.3,;29.29,-30.84,;30.61,-31.63,;27.94,-31.6,;26.61,-30.81,;26.67,-26.18,;26.69,-24.65,;28,-26.97,;29.34,-26.22,;29.36,-24.68,;30.7,-23.93,;30.66,-27,;30.64,-28.54,;32.01,-26.25,;33.33,-27.04,;33.31,-28.58,;34.63,-29.36,;34.62,-30.9,;35.94,-31.69,;35.92,-33.23,;34.58,-33.98,;37.24,-34.02,;34.67,-26.29,;34.69,-24.75,;36,-27.07,;37.34,-26.32,;37.36,-24.78,;38.7,-24.03,;40.03,-24.81,;41.38,-24.06,;41.4,-22.51,;42.74,-21.76,;40.07,-21.72,;38.72,-22.48,;38.66,-27.11,;38.65,-28.65,;40.01,-26.35,;41.33,-27.14,;41.31,-28.68,;42.64,-29.47,;42.62,-31,;43.94,-31.79,;43.92,-33.33,;42.58,-34.08,;45.25,-34.12,;42.67,-26.39,;42.69,-24.85,;44,-27.17,;45.34,-26.42,;45.36,-24.88,;46.7,-24.13,;46.72,-22.59,;48.07,-21.83,;48.09,-20.29,;46.67,-27.21,;46.65,-28.75,;48.01,-26.45,;49.33,-27.24,;49.31,-28.78,;50.64,-29.57,;50.62,-31.11,;49.28,-31.86,;51.94,-31.89,;50.68,-26.49,;50.7,-24.95,;52,-27.27,;53.34,-26.52,;53.36,-24.98,;54.71,-24.23,;54.72,-22.69,;56.07,-21.93,;54.67,-27.31,;54.65,-28.85,;56.01,-26.55,;57.33,-27.34,;57.31,-28.88,;58.68,-26.59,;58.7,-25.05,;60,-27.37,;61.34,-26.62,;61.36,-25.08,;62.71,-24.33,;60.04,-24.29,;62.67,-27.41,;62.65,-28.95,;64.01,-26.65,;65.34,-27.44,;65.32,-28.98,;66.64,-29.77,;66.62,-31.31,;67.94,-32.09,;67.93,-33.63,;66.68,-26.69,;66.7,-25.15,;68,-27.47,;69.35,-26.72,;69.36,-25.18,;70.71,-24.43,;70.73,-22.89,;72.07,-22.13,;72.09,-20.59,;70.67,-27.51,;70.65,-29.05,;72.01,-26.75,;73.34,-27.54,;73.32,-29.08,;74.64,-29.87,;75.99,-29.11,;77.32,-29.9,;77.3,-31.45,;78.62,-32.23,;75.95,-32.2,;74.62,-31.41,;74.68,-26.79,;74.7,-25.25,;76,-27.57,;77.35,-26.82,;77.37,-25.28,;78.71,-24.53,;78.73,-22.99,;80.03,-25.31,;78.67,-27.61,;78.65,-29.15,;80.01,-26.85,;81.34,-27.64,;81.32,-29.18,;82.68,-26.89,;82.7,-25.35,;84,-27.67,;85.35,-26.92,;85.37,-25.38,;86.67,-27.71,;86.65,-29.25,;88.02,-26.95,;89.34,-27.74,;89.32,-29.28,;90.64,-30.07,;87.98,-30.03,;90.68,-26.99,;90.7,-25.45,;92.01,-27.77,;93.35,-27.02,;93.37,-25.48,;94.71,-24.73,;94.73,-23.19,;96.04,-25.51,;94.67,-27.81,;96.02,-27.05,;94.65,-29.35,)| Show InChI InChI=1S/C143H226N40O39S/c1-17-76(10)114(179-109(192)67-157-136(217)107(65-111(195)196)183(15)141(222)106(70-186)178-120(201)89(147)63-85-66-154-71-158-85)139(220)174-102(59-81-29-19-18-20-30-81)133(214)182-115(80(14)187)140(221)175-103(64-110(193)194)132(213)177-105(69-185)135(216)173-101(62-84-40-46-88(190)47-41-84)131(212)176-104(68-184)134(215)165-94(35-28-55-156-143(152)153)126(207)171-99(60-82-36-42-86(188)43-37-82)129(210)164-93(34-27-54-155-142(150)151)124(205)162-90(31-21-24-51-144)122(203)166-95(48-49-108(148)191)127(208)167-96(50-56-223-16)121(202)160-79(13)119(200)180-112(74(6)7)137(218)168-92(33-23-26-53-146)123(204)163-91(32-22-25-52-145)125(206)172-100(61-83-38-44-87(189)45-39-83)130(211)170-98(58-73(4)5)128(209)161-77(11)117(198)159-78(12)118(199)181-113(75(8)9)138(219)169-97(116(149)197)57-72(2)3/h18-20,29-30,36-47,66,71-80,89-107,112-115,184-190H,17,21-28,31-35,48-65,67-70,144-147H2,1-16H3,(H2,148,191)(H2,149,197)(H,154,158)(H,157,217)(H,159,198)(H,160,202)(H,161,209)(H,162,205)(H,163,204)(H,164,210)(H,165,215)(H,166,203)(H,167,208)(H,168,218)(H,169,219)(H,170,211)(H,171,207)(H,172,206)(H,173,216)(H,174,220)(H,175,221)(H,176,212)(H,177,213)(H,178,201)(H,179,192)(H,180,200)(H,181,199)(H,182,214)(H,193,194)(H,195,196)(H4,150,151,155)(H4,152,153,156)/t76-,77-,78-,79-,80+,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,112-,113-,114-,115-/m0/s1 | 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 | 418 | n/a | n/a | n/a | n/a |
Institut National de la Recherche Scientifique
Curated by ChEMBL
| Assay Description
Agonist activity at human recombinant PAC1 receptor expressed in CHO cells assessed as PACAP38-induced calcium mobilization by FLIPR assay |
J Med Chem 52: 3308-16 (2009)
Article DOI: 10.1021/jm900291j
BindingDB Entry DOI: 10.7270/Q29023PC |
More data for this
Ligand-Target Pair | |
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