BDBM50250026 CHEMBL526899::[Ala4]PACAP27

SMILES: CC[C@H](C)[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(=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

InChI Key: InChIKey=VESXOUNWACEMTQ-BNZGLIBKSA-N

Data: 1 IC50  1 EC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50250026   

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))	BDBM50250026 (CHEMBL526899 | [Ala4]PACAP27) Show SMILES CC[C@H](C)[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(=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:27.27,13.17,4.4,49.50,50.53,64.65,82.84,99.101,122.125,140.143,153.156,169.172,190.194,203.208,215.219,wD:21.23,2.2,38.38,56.57,70.71,88.90,111.114,131.134,148.152,160.163,178.181,198.203,208.212,8.8,(2.3,.71,;2.3,-.83,;3.64,-1.6,;4.97,-.83,;3.64,-3.14,;2.3,-3.91,;.97,-3.14,;.97,-1.6,;-.37,-3.91,;-.37,-5.45,;-1.7,-3.14,;-3.03,-3.91,;-3.03,-5.45,;-4.37,-3.14,;-4.37,-1.6,;-3.03,-.83,;-1.7,-1.6,;-3.03,.71,;-5.7,-3.91,;-7.03,-3.14,;-7.03,-1.6,;-8.37,-3.91,;-8.37,-5.45,;-7.03,-6.22,;-9.7,-3.14,;-11.03,-3.91,;-11.03,-5.45,;-12.37,-3.14,;-13.7,-3.91,;-12.37,-1.6,;-11.03,-.83,;-9.62,-1.46,;-8.59,-.31,;-9.36,1.02,;-10.87,.7,;4.97,-3.91,;4.97,-5.45,;6.3,-3.14,;7.64,-3.91,;7.64,-5.45,;8.97,-6.22,;10.31,-5.45,;11.65,-6.22,;11.65,-7.77,;10.31,-8.54,;8.97,-7.77,;8.97,-3.14,;8.97,-1.6,;10.3,-3.91,;11.64,-3.14,;11.64,-1.6,;10.3,-.83,;12.97,-.83,;12.97,-3.91,;12.97,-5.45,;14.31,-3.14,;15.64,-3.91,;15.64,-5.45,;16.97,-6.22,;18.31,-5.45,;16.97,-7.76,;16.97,-3.14,;16.97,-1.6,;18.31,-3.91,;19.64,-3.14,;19.64,-1.6,;20.97,-.83,;20.97,-3.91,;20.97,-5.45,;22.31,-3.14,;23.64,-3.91,;23.64,-5.45,;24.97,-6.22,;26.31,-5.45,;27.65,-6.22,;27.65,-7.77,;28.98,-8.54,;26.31,-8.54,;24.97,-7.77,;24.97,-3.14,;24.97,-1.6,;26.31,-3.91,;27.64,-3.14,;27.64,-1.6,;28.98,-.83,;28.98,-3.91,;28.98,-5.45,;30.31,-3.14,;31.64,-3.91,;31.64,-5.45,;32.98,-6.22,;32.98,-7.76,;34.31,-8.53,;34.31,-10.07,;32.98,-10.84,;35.64,-10.84,;32.98,-3.14,;32.98,-1.6,;34.31,-3.91,;35.64,-3.14,;35.64,-1.6,;36.98,-.83,;38.32,-1.61,;39.65,-.83,;39.65,.71,;40.99,1.48,;38.32,1.48,;36.98,.71,;36.98,-3.91,;36.98,-5.45,;38.31,-3.14,;39.64,-3.91,;39.64,-5.45,;40.98,-6.22,;40.98,-7.76,;42.31,-8.53,;42.31,-10.07,;40.98,-10.84,;43.65,-10.84,;40.98,-3.14,;40.98,-1.6,;42.31,-3.91,;43.65,-3.14,;43.65,-1.6,;44.98,-.83,;44.98,.71,;46.31,1.48,;46.31,3.02,;44.98,-3.91,;44.98,-5.45,;46.31,-3.14,;47.65,-3.91,;47.65,-5.45,;48.98,-6.22,;48.98,-7.76,;47.65,-8.53,;50.31,-8.53,;48.98,-3.14,;48.98,-1.6,;50.31,-3.91,;51.65,-3.14,;51.65,-1.6,;52.98,-.83,;52.98,.71,;54.31,1.48,;52.98,-3.91,;52.98,-5.45,;54.31,-3.14,;55.65,-3.91,;55.65,-5.45,;56.98,-3.14,;56.98,-1.6,;58.32,-3.91,;59.65,-3.14,;59.65,-1.6,;60.98,-.83,;58.32,-.83,;60.98,-3.91,;60.98,-5.45,;62.32,-3.14,;63.65,-3.91,;63.65,-5.45,;64.98,-6.22,;64.98,-7.76,;66.32,-8.53,;66.32,-10.07,;64.98,-3.14,;64.98,-1.6,;66.32,-3.91,;67.65,-3.14,;67.65,-1.6,;68.98,-.83,;68.98,.71,;70.32,1.48,;70.32,3.02,;68.98,-3.91,;68.98,-5.45,;70.32,-3.14,;71.65,-3.91,;71.65,-5.45,;72.99,-6.22,;74.32,-5.45,;75.66,-6.22,;75.66,-7.77,;77,-8.54,;74.32,-8.54,;72.99,-7.77,;72.99,-3.14,;72.99,-1.6,;74.32,-3.91,;75.65,-3.14,;75.65,-1.6,;76.99,-.83,;76.99,.71,;78.32,-1.6,;76.99,-3.91,;76.99,-5.45,;78.32,-3.14,;79.65,-3.91,;79.65,-5.45,;80.99,-3.14,;80.99,-1.6,;82.32,-3.91,;83.66,-3.14,;83.66,-1.6,;84.99,-3.91,;84.99,-5.45,;86.32,-3.14,;87.66,-3.91,;87.66,-5.45,;88.99,-6.22,;86.32,-6.22,;88.99,-3.14,;88.99,-1.6,;90.32,-3.91,;91.66,-3.14,;91.66,-1.6,;92.99,-.83,;92.99,.71,;94.32,-1.6,;92.99,-3.91,;94.32,-3.14,;92.99,-5.45,)| Show InChI InChI=1S/C143H226N40O39S/c1-17-75(10)113(182-119(200)79(14)161-129(210)103(64-109(192)193)174-136(217)105(67-184)177-120(201)89(147)63-85-66-154-70-157-85)140(221)175-102(59-81-29-19-18-20-30-81)134(215)183-114(80(15)187)141(222)176-104(65-110(194)195)133(214)179-107(69-186)137(218)173-101(62-84-40-46-88(190)47-41-84)132(213)178-106(68-185)135(216)165-94(35-28-55-156-143(152)153)126(207)171-99(60-82-36-42-86(188)43-37-82)130(211)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)159-78(13)118(199)180-111(73(6)7)138(219)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)131(212)170-98(58-72(4)5)128(209)160-76(11)116(197)158-77(12)117(198)181-112(74(8)9)139(220)169-97(115(149)196)57-71(2)3/h18-20,29-30,36-47,66,70-80,89-107,111-114,184-190H,17,21-28,31-35,48-65,67-69,144-147H2,1-16H3,(H2,148,191)(H2,149,196)(H,154,157)(H,158,197)(H,159,202)(H,160,209)(H,161,210)(H,162,205)(H,163,204)(H,164,211)(H,165,216)(H,166,203)(H,167,208)(H,168,219)(H,169,220)(H,170,212)(H,171,207)(H,172,206)(H,173,218)(H,174,217)(H,175,221)(H,176,222)(H,177,201)(H,178,213)(H,179,214)(H,180,199)(H,181,198)(H,182,200)(H,183,215)(H,192,193)(H,194,195)(H4,150,151,155)(H4,152,153,156)/t75-,76-,77-,78-,79-,80+,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,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	9.10	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))	BDBM50250026 (CHEMBL526899 | [Ala4]PACAP27) Show SMILES CC[C@H](C)[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(=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:27.27,13.17,4.4,49.50,50.53,64.65,82.84,99.101,122.125,140.143,153.156,169.172,190.194,203.208,215.219,wD:21.23,2.2,38.38,56.57,70.71,88.90,111.114,131.134,148.152,160.163,178.181,198.203,208.212,8.8,(2.3,.71,;2.3,-.83,;3.64,-1.6,;4.97,-.83,;3.64,-3.14,;2.3,-3.91,;.97,-3.14,;.97,-1.6,;-.37,-3.91,;-.37,-5.45,;-1.7,-3.14,;-3.03,-3.91,;-3.03,-5.45,;-4.37,-3.14,;-4.37,-1.6,;-3.03,-.83,;-1.7,-1.6,;-3.03,.71,;-5.7,-3.91,;-7.03,-3.14,;-7.03,-1.6,;-8.37,-3.91,;-8.37,-5.45,;-7.03,-6.22,;-9.7,-3.14,;-11.03,-3.91,;-11.03,-5.45,;-12.37,-3.14,;-13.7,-3.91,;-12.37,-1.6,;-11.03,-.83,;-9.62,-1.46,;-8.59,-.31,;-9.36,1.02,;-10.87,.7,;4.97,-3.91,;4.97,-5.45,;6.3,-3.14,;7.64,-3.91,;7.64,-5.45,;8.97,-6.22,;10.31,-5.45,;11.65,-6.22,;11.65,-7.77,;10.31,-8.54,;8.97,-7.77,;8.97,-3.14,;8.97,-1.6,;10.3,-3.91,;11.64,-3.14,;11.64,-1.6,;10.3,-.83,;12.97,-.83,;12.97,-3.91,;12.97,-5.45,;14.31,-3.14,;15.64,-3.91,;15.64,-5.45,;16.97,-6.22,;18.31,-5.45,;16.97,-7.76,;16.97,-3.14,;16.97,-1.6,;18.31,-3.91,;19.64,-3.14,;19.64,-1.6,;20.97,-.83,;20.97,-3.91,;20.97,-5.45,;22.31,-3.14,;23.64,-3.91,;23.64,-5.45,;24.97,-6.22,;26.31,-5.45,;27.65,-6.22,;27.65,-7.77,;28.98,-8.54,;26.31,-8.54,;24.97,-7.77,;24.97,-3.14,;24.97,-1.6,;26.31,-3.91,;27.64,-3.14,;27.64,-1.6,;28.98,-.83,;28.98,-3.91,;28.98,-5.45,;30.31,-3.14,;31.64,-3.91,;31.64,-5.45,;32.98,-6.22,;32.98,-7.76,;34.31,-8.53,;34.31,-10.07,;32.98,-10.84,;35.64,-10.84,;32.98,-3.14,;32.98,-1.6,;34.31,-3.91,;35.64,-3.14,;35.64,-1.6,;36.98,-.83,;38.32,-1.61,;39.65,-.83,;39.65,.71,;40.99,1.48,;38.32,1.48,;36.98,.71,;36.98,-3.91,;36.98,-5.45,;38.31,-3.14,;39.64,-3.91,;39.64,-5.45,;40.98,-6.22,;40.98,-7.76,;42.31,-8.53,;42.31,-10.07,;40.98,-10.84,;43.65,-10.84,;40.98,-3.14,;40.98,-1.6,;42.31,-3.91,;43.65,-3.14,;43.65,-1.6,;44.98,-.83,;44.98,.71,;46.31,1.48,;46.31,3.02,;44.98,-3.91,;44.98,-5.45,;46.31,-3.14,;47.65,-3.91,;47.65,-5.45,;48.98,-6.22,;48.98,-7.76,;47.65,-8.53,;50.31,-8.53,;48.98,-3.14,;48.98,-1.6,;50.31,-3.91,;51.65,-3.14,;51.65,-1.6,;52.98,-.83,;52.98,.71,;54.31,1.48,;52.98,-3.91,;52.98,-5.45,;54.31,-3.14,;55.65,-3.91,;55.65,-5.45,;56.98,-3.14,;56.98,-1.6,;58.32,-3.91,;59.65,-3.14,;59.65,-1.6,;60.98,-.83,;58.32,-.83,;60.98,-3.91,;60.98,-5.45,;62.32,-3.14,;63.65,-3.91,;63.65,-5.45,;64.98,-6.22,;64.98,-7.76,;66.32,-8.53,;66.32,-10.07,;64.98,-3.14,;64.98,-1.6,;66.32,-3.91,;67.65,-3.14,;67.65,-1.6,;68.98,-.83,;68.98,.71,;70.32,1.48,;70.32,3.02,;68.98,-3.91,;68.98,-5.45,;70.32,-3.14,;71.65,-3.91,;71.65,-5.45,;72.99,-6.22,;74.32,-5.45,;75.66,-6.22,;75.66,-7.77,;77,-8.54,;74.32,-8.54,;72.99,-7.77,;72.99,-3.14,;72.99,-1.6,;74.32,-3.91,;75.65,-3.14,;75.65,-1.6,;76.99,-.83,;76.99,.71,;78.32,-1.6,;76.99,-3.91,;76.99,-5.45,;78.32,-3.14,;79.65,-3.91,;79.65,-5.45,;80.99,-3.14,;80.99,-1.6,;82.32,-3.91,;83.66,-3.14,;83.66,-1.6,;84.99,-3.91,;84.99,-5.45,;86.32,-3.14,;87.66,-3.91,;87.66,-5.45,;88.99,-6.22,;86.32,-6.22,;88.99,-3.14,;88.99,-1.6,;90.32,-3.91,;91.66,-3.14,;91.66,-1.6,;92.99,-.83,;92.99,.71,;94.32,-1.6,;92.99,-3.91,;94.32,-3.14,;92.99,-5.45,)| Show InChI InChI=1S/C143H226N40O39S/c1-17-75(10)113(182-119(200)79(14)161-129(210)103(64-109(192)193)174-136(217)105(67-184)177-120(201)89(147)63-85-66-154-70-157-85)140(221)175-102(59-81-29-19-18-20-30-81)134(215)183-114(80(15)187)141(222)176-104(65-110(194)195)133(214)179-107(69-186)137(218)173-101(62-84-40-46-88(190)47-41-84)132(213)178-106(68-185)135(216)165-94(35-28-55-156-143(152)153)126(207)171-99(60-82-36-42-86(188)43-37-82)130(211)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)159-78(13)118(199)180-111(73(6)7)138(219)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)131(212)170-98(58-72(4)5)128(209)160-76(11)116(197)158-77(12)117(198)181-112(74(8)9)139(220)169-97(115(149)196)57-71(2)3/h18-20,29-30,36-47,66,70-80,89-107,111-114,184-190H,17,21-28,31-35,48-65,67-69,144-147H2,1-16H3,(H2,148,191)(H2,149,196)(H,154,157)(H,158,197)(H,159,202)(H,160,209)(H,161,210)(H,162,205)(H,163,204)(H,164,211)(H,165,216)(H,166,203)(H,167,208)(H,168,219)(H,169,220)(H,170,212)(H,171,207)(H,172,206)(H,173,218)(H,174,217)(H,175,221)(H,176,222)(H,177,201)(H,178,213)(H,179,214)(H,180,199)(H,181,198)(H,182,200)(H,183,215)(H,192,193)(H,194,195)(H4,150,151,155)(H4,152,153,156)/t75-,76-,77-,78-,79-,80+,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,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	20.8	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