Found 2 hits for monomerid = 50250046 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)) | BDBM50250046
(CHEMBL525258 | [N-Me-Ser2]PACAP27)Show SMILES CC[C@H](C)[C@H](NC(=O)CNC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CO)N(C)C(=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:20.22,2.2,38.38,56.57,70.71,88.90,111.114,131.134,148.152,160.163,178.181,198.203,208.212,(5.91,-52.45,;5.93,-53.99,;7.27,-54.74,;8.6,-53.96,;7.29,-56.28,;5.96,-57.07,;4.62,-56.31,;4.6,-54.77,;3.29,-57.09,;1.95,-56.34,;.63,-57.12,;.64,-58.66,;-.71,-56.36,;-.73,-54.82,;.6,-54.04,;1.94,-54.8,;.58,-52.5,;-2.04,-57.15,;-3.38,-56.39,;-3.4,-54.85,;-4.71,-57.18,;-4.69,-58.72,;-3.35,-59.47,;-6.05,-56.42,;-6.06,-54.88,;-7.37,-57.2,;-7.36,-58.74,;-8.72,-56.45,;-10.04,-57.23,;-8.73,-54.91,;-9.96,-53.97,;-9.93,-52.42,;-11.38,-51.91,;-12.32,-53.14,;-11.44,-54.41,;8.63,-57.04,;8.64,-58.58,;9.95,-56.26,;11.3,-57.01,;11.31,-58.55,;12.65,-59.31,;13.98,-58.52,;15.33,-59.28,;15.34,-60.83,;14.01,-61.61,;12.67,-60.85,;12.62,-56.23,;12.61,-54.69,;13.96,-56.99,;15.29,-56.2,;15.27,-54.66,;13.93,-53.91,;16.6,-53.88,;16.63,-56.96,;16.65,-58.5,;17.96,-56.17,;19.3,-56.93,;19.31,-58.47,;20.65,-59.23,;21.98,-58.44,;20.67,-60.77,;20.62,-56.15,;20.61,-54.61,;21.96,-56.9,;23.29,-56.12,;23.27,-54.58,;24.6,-53.8,;24.63,-56.88,;24.65,-58.42,;25.96,-56.09,;27.3,-56.85,;27.31,-58.39,;28.66,-59.15,;29.99,-58.36,;31.33,-59.12,;31.35,-60.66,;32.69,-61.42,;30.02,-61.45,;28.67,-60.69,;28.62,-56.07,;28.61,-54.53,;29.97,-56.82,;31.29,-56.04,;31.28,-54.5,;32.6,-53.72,;32.63,-56.8,;32.65,-58.34,;33.96,-56.01,;35.3,-56.77,;35.32,-58.31,;36.66,-59.06,;36.67,-60.6,;38.01,-61.36,;38.03,-62.9,;36.7,-63.68,;39.37,-63.66,;36.63,-55.98,;36.61,-54.45,;37.97,-56.74,;39.29,-55.96,;39.28,-54.42,;40.6,-53.63,;41.95,-54.39,;43.28,-53.61,;43.26,-52.06,;44.59,-51.28,;41.92,-51.3,;40.59,-52.09,;40.63,-56.71,;40.65,-58.25,;41.96,-55.93,;43.3,-56.69,;43.32,-58.23,;44.66,-58.98,;44.67,-60.52,;46.02,-61.28,;46.03,-62.82,;44.7,-63.6,;47.37,-63.58,;44.63,-55.9,;44.61,-54.36,;45.97,-56.66,;47.29,-55.88,;47.28,-54.34,;48.6,-53.55,;48.59,-52.01,;49.91,-51.23,;49.9,-49.69,;48.64,-56.63,;48.65,-58.17,;49.96,-55.85,;51.3,-56.61,;51.32,-58.15,;52.66,-58.9,;52.68,-60.44,;51.35,-61.23,;54.02,-61.2,;52.63,-55.82,;52.61,-54.28,;53.97,-56.58,;55.3,-55.8,;55.28,-54.26,;56.61,-53.47,;56.59,-51.93,;57.92,-51.15,;56.64,-56.55,;56.65,-58.09,;57.96,-55.77,;59.3,-56.52,;59.32,-58.06,;60.63,-55.74,;60.61,-54.2,;61.97,-56.5,;63.3,-55.71,;63.28,-54.17,;64.61,-53.39,;61.94,-53.42,;64.64,-56.47,;64.65,-58.01,;65.96,-55.69,;67.31,-56.44,;67.32,-57.98,;68.66,-58.74,;68.68,-60.28,;70.02,-61.04,;70.04,-62.58,;68.63,-55.66,;68.62,-54.12,;69.97,-56.42,;71.3,-55.63,;71.28,-54.09,;72.61,-53.31,;72.59,-51.77,;73.92,-50.99,;73.9,-49.45,;72.64,-56.39,;72.66,-57.93,;73.97,-55.61,;75.31,-56.36,;75.32,-57.9,;76.66,-58.66,;77.99,-57.87,;79.34,-58.63,;79.36,-60.18,;80.7,-60.93,;78.03,-60.96,;76.68,-60.2,;76.63,-55.58,;76.62,-54.04,;77.97,-56.33,;79.3,-55.55,;79.28,-54.01,;80.61,-53.23,;80.59,-51.69,;81.95,-53.98,;80.64,-56.31,;80.66,-57.85,;81.97,-55.52,;83.31,-56.28,;83.32,-57.82,;84.63,-55.5,;84.62,-53.96,;85.98,-56.25,;87.3,-55.47,;87.29,-53.93,;88.64,-56.23,;88.66,-57.77,;89.97,-55.44,;91.31,-56.2,;91.33,-57.74,;92.67,-58.49,;90,-58.52,;92.64,-55.42,;92.62,-53.88,;93.98,-56.17,;95.3,-55.39,;95.29,-53.85,;96.61,-53.06,;96.6,-51.52,;97.95,-53.82,;96.64,-56.14,;97.97,-55.36,;96.66,-57.68,)| Show InChI InChI=1S/C143H226N40O39S/c1-17-76(10)114(179-109(192)67-157-120(201)103(64-110(193)194)174-136(217)107(70-186)183(15)141(222)89(147)63-85-66-154-71-158-85)139(220)175-102(59-81-29-19-18-20-30-81)133(214)182-115(80(14)187)140(221)176-104(65-111(195)196)132(213)178-106(69-185)135(216)173-101(62-84-40-46-88(190)47-41-84)131(212)177-105(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,157,201)(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,174,217)(H,175,220)(H,176,221)(H,177,212)(H,178,213)(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 | 9.40 | 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)) | BDBM50250046
(CHEMBL525258 | [N-Me-Ser2]PACAP27)Show SMILES CC[C@H](C)[C@H](NC(=O)CNC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CO)N(C)C(=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:20.22,2.2,38.38,56.57,70.71,88.90,111.114,131.134,148.152,160.163,178.181,198.203,208.212,(5.91,-52.45,;5.93,-53.99,;7.27,-54.74,;8.6,-53.96,;7.29,-56.28,;5.96,-57.07,;4.62,-56.31,;4.6,-54.77,;3.29,-57.09,;1.95,-56.34,;.63,-57.12,;.64,-58.66,;-.71,-56.36,;-.73,-54.82,;.6,-54.04,;1.94,-54.8,;.58,-52.5,;-2.04,-57.15,;-3.38,-56.39,;-3.4,-54.85,;-4.71,-57.18,;-4.69,-58.72,;-3.35,-59.47,;-6.05,-56.42,;-6.06,-54.88,;-7.37,-57.2,;-7.36,-58.74,;-8.72,-56.45,;-10.04,-57.23,;-8.73,-54.91,;-9.96,-53.97,;-9.93,-52.42,;-11.38,-51.91,;-12.32,-53.14,;-11.44,-54.41,;8.63,-57.04,;8.64,-58.58,;9.95,-56.26,;11.3,-57.01,;11.31,-58.55,;12.65,-59.31,;13.98,-58.52,;15.33,-59.28,;15.34,-60.83,;14.01,-61.61,;12.67,-60.85,;12.62,-56.23,;12.61,-54.69,;13.96,-56.99,;15.29,-56.2,;15.27,-54.66,;13.93,-53.91,;16.6,-53.88,;16.63,-56.96,;16.65,-58.5,;17.96,-56.17,;19.3,-56.93,;19.31,-58.47,;20.65,-59.23,;21.98,-58.44,;20.67,-60.77,;20.62,-56.15,;20.61,-54.61,;21.96,-56.9,;23.29,-56.12,;23.27,-54.58,;24.6,-53.8,;24.63,-56.88,;24.65,-58.42,;25.96,-56.09,;27.3,-56.85,;27.31,-58.39,;28.66,-59.15,;29.99,-58.36,;31.33,-59.12,;31.35,-60.66,;32.69,-61.42,;30.02,-61.45,;28.67,-60.69,;28.62,-56.07,;28.61,-54.53,;29.97,-56.82,;31.29,-56.04,;31.28,-54.5,;32.6,-53.72,;32.63,-56.8,;32.65,-58.34,;33.96,-56.01,;35.3,-56.77,;35.32,-58.31,;36.66,-59.06,;36.67,-60.6,;38.01,-61.36,;38.03,-62.9,;36.7,-63.68,;39.37,-63.66,;36.63,-55.98,;36.61,-54.45,;37.97,-56.74,;39.29,-55.96,;39.28,-54.42,;40.6,-53.63,;41.95,-54.39,;43.28,-53.61,;43.26,-52.06,;44.59,-51.28,;41.92,-51.3,;40.59,-52.09,;40.63,-56.71,;40.65,-58.25,;41.96,-55.93,;43.3,-56.69,;43.32,-58.23,;44.66,-58.98,;44.67,-60.52,;46.02,-61.28,;46.03,-62.82,;44.7,-63.6,;47.37,-63.58,;44.63,-55.9,;44.61,-54.36,;45.97,-56.66,;47.29,-55.88,;47.28,-54.34,;48.6,-53.55,;48.59,-52.01,;49.91,-51.23,;49.9,-49.69,;48.64,-56.63,;48.65,-58.17,;49.96,-55.85,;51.3,-56.61,;51.32,-58.15,;52.66,-58.9,;52.68,-60.44,;51.35,-61.23,;54.02,-61.2,;52.63,-55.82,;52.61,-54.28,;53.97,-56.58,;55.3,-55.8,;55.28,-54.26,;56.61,-53.47,;56.59,-51.93,;57.92,-51.15,;56.64,-56.55,;56.65,-58.09,;57.96,-55.77,;59.3,-56.52,;59.32,-58.06,;60.63,-55.74,;60.61,-54.2,;61.97,-56.5,;63.3,-55.71,;63.28,-54.17,;64.61,-53.39,;61.94,-53.42,;64.64,-56.47,;64.65,-58.01,;65.96,-55.69,;67.31,-56.44,;67.32,-57.98,;68.66,-58.74,;68.68,-60.28,;70.02,-61.04,;70.04,-62.58,;68.63,-55.66,;68.62,-54.12,;69.97,-56.42,;71.3,-55.63,;71.28,-54.09,;72.61,-53.31,;72.59,-51.77,;73.92,-50.99,;73.9,-49.45,;72.64,-56.39,;72.66,-57.93,;73.97,-55.61,;75.31,-56.36,;75.32,-57.9,;76.66,-58.66,;77.99,-57.87,;79.34,-58.63,;79.36,-60.18,;80.7,-60.93,;78.03,-60.96,;76.68,-60.2,;76.63,-55.58,;76.62,-54.04,;77.97,-56.33,;79.3,-55.55,;79.28,-54.01,;80.61,-53.23,;80.59,-51.69,;81.95,-53.98,;80.64,-56.31,;80.66,-57.85,;81.97,-55.52,;83.31,-56.28,;83.32,-57.82,;84.63,-55.5,;84.62,-53.96,;85.98,-56.25,;87.3,-55.47,;87.29,-53.93,;88.64,-56.23,;88.66,-57.77,;89.97,-55.44,;91.31,-56.2,;91.33,-57.74,;92.67,-58.49,;90,-58.52,;92.64,-55.42,;92.62,-53.88,;93.98,-56.17,;95.3,-55.39,;95.29,-53.85,;96.61,-53.06,;96.6,-51.52,;97.95,-53.82,;96.64,-56.14,;97.97,-55.36,;96.66,-57.68,)| Show InChI InChI=1S/C143H226N40O39S/c1-17-76(10)114(179-109(192)67-157-120(201)103(64-110(193)194)174-136(217)107(70-186)183(15)141(222)89(147)63-85-66-154-71-158-85)139(220)175-102(59-81-29-19-18-20-30-81)133(214)182-115(80(14)187)140(221)176-104(65-111(195)196)132(213)178-106(69-185)135(216)173-101(62-84-40-46-88(190)47-41-84)131(212)177-105(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,157,201)(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,174,217)(H,175,220)(H,176,221)(H,177,212)(H,178,213)(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 | 48.8 | 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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