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BDBM85991 [ala9,leu13]pMOT(1-14)

SMILES: [#6]-[#6]-[#6@H](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-c1ccccc1)-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6@@H](-[#6])-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccc(-[#8])cc1)-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6](-[#7])=O)-[#6](-[#7])=O

InChI Key: InChIKey=NCAAMLXZQODDBG-AXRABUIHSA-N

Data: 1 KI

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 1 hit for monomerid = 85991   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Motilin


(Homo sapiens (Human))
BDBM85991
PNG
([ala9,leu13]pMOT(1-14))
Show SMILES [#6]-[#6]-[#6@H](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-c1ccccc1)-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6@@H](-[#6])-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccc(-[#8])cc1)-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6](-[#7])=O)-[#6](-[#7])=O |r|
Show InChI InChI=1S/C80H122N20O18/c1-11-45(8)65(98-76(115)60-25-19-35-100(60)79(118)64(44(6)7)97-69(108)52(81)38-48-20-14-12-15-21-48)77(116)96-59(39-49-22-16-13-17-23-49)75(114)99-66(47(10)101)78(117)95-58(40-50-26-28-51(102)29-27-50)70(109)88-41-63(105)89-46(9)68(107)93-56(36-42(2)3)74(113)92-55(31-33-62(83)104)72(111)91-54(24-18-34-87-80(85)86)71(110)94-57(37-43(4)5)73(112)90-53(67(84)106)30-32-61(82)103/h12-17,20-23,26-29,42-47,52-60,64-66,101-102H,11,18-19,24-25,30-41,81H2,1-10H3,(H2,82,103)(H2,83,104)(H2,84,106)(H,88,109)(H,89,105)(H,90,112)(H,91,111)(H,92,113)(H,93,107)(H,94,110)(H,95,117)(H,96,116)(H,97,108)(H,98,115)(H,99,114)(H4,85,86,87)/t45-,46-,47+,52-,53-,54-,55-,56-,57-,58-,59-,60-,64-,65-,66-/m0/s1
Reactome pathway
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PC cid
PC sid
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Similars

Article
PubMed
75.9n/an/an/an/an/an/an/an/a



Katholieke Universiteit Leuven

Curated by PDSP Ki Database




Biochem Biophys Res Commun 293: 1223-7 (2002)


Article DOI: 10.1016/S0006-291X(02)00356-X
BindingDB Entry DOI: 10.7270/Q2KP80RP
More data for this
Ligand-Target Pair