Found 2 hits Enz. Inhib. hit(s) with Target = 'Pituitary adenylate cyclase-activating polypeptide type I receptor' and Ligand = 'BDBM50250076' Target/Host
(Institution) | Ligand | Target/Host
Links | Ligand
Links | Trg + Lig
Links | Ki
nM | ΔG°
kJ/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)) | BDBM50250076
(CHEMBL525613 | [Nal6]PACAP27)Show SMILES CC[C@H](C)[C@H](NC(=O)CNC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)N[C@@H](Cc1cccc2ccccc12)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)C(N)=O |r,wU:26.26,12.16,4.4,52.54,53.57,67.69,85.88,102.105,125.129,143.147,156.160,172.176,193.198,206.212,218.223,wD:20.22,2.2,37.37,59.61,73.75,91.94,114.118,134.138,151.156,163.167,181.185,201.207,211.216,(3.18,-47.37,;3.18,-48.91,;4.52,-49.68,;5.85,-48.91,;4.52,-51.22,;3.18,-51.99,;1.85,-51.22,;1.85,-49.68,;.51,-51.99,;-.82,-51.22,;-2.15,-51.99,;-2.15,-53.53,;-3.49,-51.22,;-3.49,-49.68,;-2.15,-48.91,;-.82,-49.68,;-2.15,-47.37,;-4.82,-51.99,;-6.15,-51.22,;-6.15,-49.68,;-7.49,-51.99,;-7.49,-53.53,;-6.15,-54.3,;-8.82,-51.22,;-10.16,-51.99,;-10.16,-53.53,;-11.49,-51.22,;-12.82,-51.99,;-11.49,-49.68,;-10.16,-48.91,;-8.74,-49.54,;-7.71,-48.39,;-8.48,-47.05,;-9.99,-47.38,;5.85,-51.99,;5.85,-53.53,;7.18,-51.22,;8.52,-51.99,;8.52,-53.53,;9.85,-54.3,;11.19,-53.53,;12.53,-54.3,;12.53,-55.85,;11.2,-56.62,;11.21,-58.16,;9.88,-58.95,;8.52,-58.18,;8.51,-56.63,;9.85,-55.85,;9.85,-51.22,;9.85,-49.68,;11.18,-51.99,;12.52,-51.22,;12.52,-49.68,;11.18,-48.91,;13.85,-48.91,;13.85,-51.99,;13.85,-53.53,;15.19,-51.22,;16.52,-51.99,;16.52,-53.53,;17.85,-54.3,;19.19,-53.53,;17.85,-55.84,;17.85,-51.22,;17.85,-49.68,;19.19,-51.99,;20.52,-51.22,;20.52,-49.68,;21.85,-48.91,;21.85,-51.99,;21.85,-53.53,;23.19,-51.22,;24.52,-51.99,;24.52,-53.53,;25.86,-54.3,;27.19,-53.53,;28.53,-54.3,;28.53,-55.85,;29.87,-56.62,;27.19,-56.62,;25.86,-55.85,;25.86,-51.22,;25.86,-49.68,;27.19,-51.99,;28.52,-51.22,;28.52,-49.68,;29.86,-48.91,;29.86,-51.99,;29.86,-53.53,;31.19,-51.22,;32.52,-51.99,;32.52,-53.53,;33.86,-54.3,;33.86,-55.84,;35.19,-56.61,;35.19,-58.15,;33.86,-58.92,;36.52,-58.92,;33.86,-51.22,;33.86,-49.68,;35.19,-51.99,;36.52,-51.22,;36.52,-49.68,;37.86,-48.91,;39.2,-49.69,;40.54,-48.91,;40.54,-47.37,;41.87,-46.6,;39.2,-46.6,;37.86,-47.37,;37.86,-51.99,;37.86,-53.53,;39.19,-51.22,;40.53,-51.99,;40.53,-53.53,;41.86,-54.3,;41.86,-55.84,;43.19,-56.61,;43.19,-58.15,;41.86,-58.92,;44.53,-58.92,;41.86,-51.22,;41.86,-49.68,;43.19,-51.99,;44.53,-51.22,;44.53,-49.68,;45.86,-48.91,;45.86,-47.37,;47.19,-46.6,;47.19,-45.06,;45.86,-51.99,;45.86,-53.53,;47.19,-51.22,;48.53,-51.99,;48.53,-53.53,;49.86,-54.3,;49.86,-55.84,;48.53,-56.61,;51.2,-56.61,;49.86,-51.22,;49.86,-49.68,;51.2,-51.99,;52.53,-51.22,;52.53,-49.68,;53.86,-48.91,;53.86,-47.37,;55.2,-46.6,;53.86,-51.99,;53.86,-53.53,;55.2,-51.22,;56.53,-51.99,;56.53,-53.53,;57.86,-51.22,;57.86,-49.68,;59.2,-51.99,;60.53,-51.22,;60.53,-49.68,;61.87,-48.91,;59.2,-48.91,;61.87,-51.99,;61.87,-53.53,;63.2,-51.22,;64.53,-51.99,;64.53,-53.53,;65.87,-54.3,;65.87,-55.84,;67.2,-56.61,;67.2,-58.15,;65.87,-51.22,;65.87,-49.68,;67.2,-51.99,;68.53,-51.22,;68.53,-49.68,;69.87,-48.91,;69.87,-47.37,;71.2,-46.6,;71.2,-45.06,;69.87,-51.99,;69.87,-53.53,;71.2,-51.22,;72.54,-51.99,;72.54,-53.53,;73.87,-54.3,;75.21,-53.53,;76.55,-54.3,;76.55,-55.85,;77.88,-56.62,;75.21,-56.62,;73.87,-55.85,;73.87,-51.22,;73.87,-49.68,;75.2,-51.99,;76.54,-51.22,;76.54,-49.68,;77.87,-48.91,;77.87,-47.37,;79.2,-49.68,;77.87,-51.99,;77.87,-53.53,;79.2,-51.22,;80.54,-51.99,;80.54,-53.53,;81.87,-51.22,;81.87,-49.68,;83.2,-51.99,;84.54,-51.22,;84.54,-49.68,;85.87,-51.99,;85.87,-53.53,;87.21,-51.22,;88.54,-51.99,;88.54,-53.53,;89.87,-54.3,;87.21,-54.3,;89.87,-51.22,;89.87,-49.68,;91.21,-51.99,;92.54,-51.22,;92.54,-49.68,;93.87,-48.91,;93.87,-47.37,;95.21,-49.68,;93.87,-51.99,;95.21,-51.22,;93.87,-53.53,)| Show InChI InChI=1S/C146H226N40O39S/c1-16-77(10)117(183-112(195)68-160-124(205)106(65-113(196)197)177-139(220)108(69-187)180-123(204)92(150)64-87-67-157-72-161-87)143(224)178-105(63-86-30-25-29-85-28-17-18-31-91(85)86)137(218)186-118(81(14)190)144(225)179-107(66-114(198)199)136(217)182-110(71-189)140(221)176-104(62-84-41-47-90(193)48-42-84)135(216)181-109(70-188)138(219)168-97(36-27-56-159-146(155)156)130(211)174-102(60-82-37-43-88(191)44-38-82)133(214)167-96(35-26-55-158-145(153)154)128(209)165-93(32-19-22-52-147)126(207)169-98(49-50-111(151)194)131(212)170-99(51-57-226-15)125(206)163-80(13)122(203)184-115(75(6)7)141(222)171-95(34-21-24-54-149)127(208)166-94(33-20-23-53-148)129(210)175-103(61-83-39-45-89(192)46-40-83)134(215)173-101(59-74(4)5)132(213)164-78(11)120(201)162-79(12)121(202)185-116(76(8)9)142(223)172-100(119(152)200)58-73(2)3/h17-18,25,28-31,37-48,67,72-81,92-110,115-118,187-193H,16,19-24,26-27,32-36,49-66,68-71,147-150H2,1-15H3,(H2,151,194)(H2,152,200)(H,157,161)(H,160,205)(H,162,201)(H,163,206)(H,164,213)(H,165,209)(H,166,208)(H,167,214)(H,168,219)(H,169,207)(H,170,212)(H,171,222)(H,172,223)(H,173,215)(H,174,211)(H,175,210)(H,176,221)(H,177,220)(H,178,224)(H,179,225)(H,180,204)(H,181,216)(H,182,217)(H,183,195)(H,184,203)(H,185,202)(H,186,218)(H,196,197)(H,198,199)(H4,153,154,158)(H4,155,156,159)/t77-,78-,79-,80-,81+,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,115-,116-,117-,118-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 6.5 | 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)) | BDBM50250076
(CHEMBL525613 | [Nal6]PACAP27)Show SMILES CC[C@H](C)[C@H](NC(=O)CNC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)N[C@@H](Cc1cccc2ccccc12)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)C(N)=O |r,wU:26.26,12.16,4.4,52.54,53.57,67.69,85.88,102.105,125.129,143.147,156.160,172.176,193.198,206.212,218.223,wD:20.22,2.2,37.37,59.61,73.75,91.94,114.118,134.138,151.156,163.167,181.185,201.207,211.216,(3.18,-47.37,;3.18,-48.91,;4.52,-49.68,;5.85,-48.91,;4.52,-51.22,;3.18,-51.99,;1.85,-51.22,;1.85,-49.68,;.51,-51.99,;-.82,-51.22,;-2.15,-51.99,;-2.15,-53.53,;-3.49,-51.22,;-3.49,-49.68,;-2.15,-48.91,;-.82,-49.68,;-2.15,-47.37,;-4.82,-51.99,;-6.15,-51.22,;-6.15,-49.68,;-7.49,-51.99,;-7.49,-53.53,;-6.15,-54.3,;-8.82,-51.22,;-10.16,-51.99,;-10.16,-53.53,;-11.49,-51.22,;-12.82,-51.99,;-11.49,-49.68,;-10.16,-48.91,;-8.74,-49.54,;-7.71,-48.39,;-8.48,-47.05,;-9.99,-47.38,;5.85,-51.99,;5.85,-53.53,;7.18,-51.22,;8.52,-51.99,;8.52,-53.53,;9.85,-54.3,;11.19,-53.53,;12.53,-54.3,;12.53,-55.85,;11.2,-56.62,;11.21,-58.16,;9.88,-58.95,;8.52,-58.18,;8.51,-56.63,;9.85,-55.85,;9.85,-51.22,;9.85,-49.68,;11.18,-51.99,;12.52,-51.22,;12.52,-49.68,;11.18,-48.91,;13.85,-48.91,;13.85,-51.99,;13.85,-53.53,;15.19,-51.22,;16.52,-51.99,;16.52,-53.53,;17.85,-54.3,;19.19,-53.53,;17.85,-55.84,;17.85,-51.22,;17.85,-49.68,;19.19,-51.99,;20.52,-51.22,;20.52,-49.68,;21.85,-48.91,;21.85,-51.99,;21.85,-53.53,;23.19,-51.22,;24.52,-51.99,;24.52,-53.53,;25.86,-54.3,;27.19,-53.53,;28.53,-54.3,;28.53,-55.85,;29.87,-56.62,;27.19,-56.62,;25.86,-55.85,;25.86,-51.22,;25.86,-49.68,;27.19,-51.99,;28.52,-51.22,;28.52,-49.68,;29.86,-48.91,;29.86,-51.99,;29.86,-53.53,;31.19,-51.22,;32.52,-51.99,;32.52,-53.53,;33.86,-54.3,;33.86,-55.84,;35.19,-56.61,;35.19,-58.15,;33.86,-58.92,;36.52,-58.92,;33.86,-51.22,;33.86,-49.68,;35.19,-51.99,;36.52,-51.22,;36.52,-49.68,;37.86,-48.91,;39.2,-49.69,;40.54,-48.91,;40.54,-47.37,;41.87,-46.6,;39.2,-46.6,;37.86,-47.37,;37.86,-51.99,;37.86,-53.53,;39.19,-51.22,;40.53,-51.99,;40.53,-53.53,;41.86,-54.3,;41.86,-55.84,;43.19,-56.61,;43.19,-58.15,;41.86,-58.92,;44.53,-58.92,;41.86,-51.22,;41.86,-49.68,;43.19,-51.99,;44.53,-51.22,;44.53,-49.68,;45.86,-48.91,;45.86,-47.37,;47.19,-46.6,;47.19,-45.06,;45.86,-51.99,;45.86,-53.53,;47.19,-51.22,;48.53,-51.99,;48.53,-53.53,;49.86,-54.3,;49.86,-55.84,;48.53,-56.61,;51.2,-56.61,;49.86,-51.22,;49.86,-49.68,;51.2,-51.99,;52.53,-51.22,;52.53,-49.68,;53.86,-48.91,;53.86,-47.37,;55.2,-46.6,;53.86,-51.99,;53.86,-53.53,;55.2,-51.22,;56.53,-51.99,;56.53,-53.53,;57.86,-51.22,;57.86,-49.68,;59.2,-51.99,;60.53,-51.22,;60.53,-49.68,;61.87,-48.91,;59.2,-48.91,;61.87,-51.99,;61.87,-53.53,;63.2,-51.22,;64.53,-51.99,;64.53,-53.53,;65.87,-54.3,;65.87,-55.84,;67.2,-56.61,;67.2,-58.15,;65.87,-51.22,;65.87,-49.68,;67.2,-51.99,;68.53,-51.22,;68.53,-49.68,;69.87,-48.91,;69.87,-47.37,;71.2,-46.6,;71.2,-45.06,;69.87,-51.99,;69.87,-53.53,;71.2,-51.22,;72.54,-51.99,;72.54,-53.53,;73.87,-54.3,;75.21,-53.53,;76.55,-54.3,;76.55,-55.85,;77.88,-56.62,;75.21,-56.62,;73.87,-55.85,;73.87,-51.22,;73.87,-49.68,;75.2,-51.99,;76.54,-51.22,;76.54,-49.68,;77.87,-48.91,;77.87,-47.37,;79.2,-49.68,;77.87,-51.99,;77.87,-53.53,;79.2,-51.22,;80.54,-51.99,;80.54,-53.53,;81.87,-51.22,;81.87,-49.68,;83.2,-51.99,;84.54,-51.22,;84.54,-49.68,;85.87,-51.99,;85.87,-53.53,;87.21,-51.22,;88.54,-51.99,;88.54,-53.53,;89.87,-54.3,;87.21,-54.3,;89.87,-51.22,;89.87,-49.68,;91.21,-51.99,;92.54,-51.22,;92.54,-49.68,;93.87,-48.91,;93.87,-47.37,;95.21,-49.68,;93.87,-51.99,;95.21,-51.22,;93.87,-53.53,)| Show InChI InChI=1S/C146H226N40O39S/c1-16-77(10)117(183-112(195)68-160-124(205)106(65-113(196)197)177-139(220)108(69-187)180-123(204)92(150)64-87-67-157-72-161-87)143(224)178-105(63-86-30-25-29-85-28-17-18-31-91(85)86)137(218)186-118(81(14)190)144(225)179-107(66-114(198)199)136(217)182-110(71-189)140(221)176-104(62-84-41-47-90(193)48-42-84)135(216)181-109(70-188)138(219)168-97(36-27-56-159-146(155)156)130(211)174-102(60-82-37-43-88(191)44-38-82)133(214)167-96(35-26-55-158-145(153)154)128(209)165-93(32-19-22-52-147)126(207)169-98(49-50-111(151)194)131(212)170-99(51-57-226-15)125(206)163-80(13)122(203)184-115(75(6)7)141(222)171-95(34-21-24-54-149)127(208)166-94(33-20-23-53-148)129(210)175-103(61-83-39-45-89(192)46-40-83)134(215)173-101(59-74(4)5)132(213)164-78(11)120(201)162-79(12)121(202)185-116(76(8)9)142(223)172-100(119(152)200)58-73(2)3/h17-18,25,28-31,37-48,67,72-81,92-110,115-118,187-193H,16,19-24,26-27,32-36,49-66,68-71,147-150H2,1-15H3,(H2,151,194)(H2,152,200)(H,157,161)(H,160,205)(H,162,201)(H,163,206)(H,164,213)(H,165,209)(H,166,208)(H,167,214)(H,168,219)(H,169,207)(H,170,212)(H,171,222)(H,172,223)(H,173,215)(H,174,211)(H,175,210)(H,176,221)(H,177,220)(H,178,224)(H,179,225)(H,180,204)(H,181,216)(H,182,217)(H,183,195)(H,184,203)(H,185,202)(H,186,218)(H,196,197)(H,198,199)(H4,153,154,158)(H4,155,156,159)/t77-,78-,79-,80-,81+,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,115-,116-,117-,118-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 0.700 | 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 | |
Search and Browse
