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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Pituitary adenylate cyclase-activating polypeptide' and Ligand = 'BDBM81761'   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Pituitary adenylate cyclase-activating polypeptide


(Homo sapiens (Human))
BDBM81761
PNG
(PACAP(4-27))
Show SMILES [#6]-[#6]-[#6](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6@@H](-[#6])-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#8])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccc(-[#8])cc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccc(-[#8])cc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#16]-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccc(-[#8])cc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#6](-[#7])=O |r|
Show InChI InChI=1S/C129H207N35O33S/c1-16-70(10)103(161-99(172)63-133)126(196)157-94(58-75-28-18-17-19-29-75)121(191)164-104(74(14)167)127(197)158-95(62-100(173)174)120(190)160-97(65-166)123(193)156-93(61-78-39-45-81(170)46-40-78)119(189)159-96(64-165)122(192)148-86(34-27-54-141-129(138)139)114(184)154-91(59-76-35-41-79(168)42-36-76)117(187)147-85(33-26-53-140-128(136)137)112(182)145-82(30-20-23-50-130)110(180)149-87(47-48-98(134)171)115(185)150-88(49-55-198-15)109(179)143-73(13)108(178)162-101(68(6)7)124(194)151-84(32-22-25-52-132)111(181)146-83(31-21-24-51-131)113(183)155-92(60-77-37-43-80(169)44-38-77)118(188)153-90(57-67(4)5)116(186)144-71(11)106(176)142-72(12)107(177)163-102(69(8)9)125(195)152-89(105(135)175)56-66(2)3/h17-19,28-29,35-46,66-74,82-97,101-104,165-170H,16,20-27,30-34,47-65,130-133H2,1-15H3,(H2,134,171)(H2,135,175)(H,142,176)(H,143,179)(H,144,186)(H,145,182)(H,146,181)(H,147,187)(H,148,192)(H,149,180)(H,150,185)(H,151,194)(H,152,195)(H,153,188)(H,154,184)(H,155,183)(H,156,193)(H,157,196)(H,158,197)(H,159,189)(H,160,190)(H,161,172)(H,162,178)(H,163,177)(H,164,191)(H,173,174)(H4,136,137,140)(H4,138,139,141)/t70?,71-,72-,73-,74+,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,101-,102-,103-,104-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
500n/an/an/an/an/an/an/an/a



Université Libre de Bruxelles

Curated by PDSP Ki Database




Eur J Biochem 208: 815-9 (1992)


Article DOI: 10.1111/j.1432-1033.1992.tb17252.x
BindingDB Entry DOI: 10.7270/Q2J67FD2
More data for this
Ligand-Target Pair