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BDBM50024118 5-(3,7-Dimethyl-octa-2,6-dienylamino)-1-hydroxymethyl-cyclohexane-1,2,3,4-tetraol::CHEMBL3349438::CHEMBL9242

SMILES: [#6]\[#6](-[#6])=[#6]/[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#7]-[#6@H]-1-[#6][C@]([#8])([#6]-[#8])[#6@@H](-[#8])-[#6@H](-[#8])-[#6@H]-1-[#8]

InChI Key: InChIKey=GJCPDBXQCCIZHF-JDHOBIMTSA-N

Data: 2 IC50

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 = 50024118   
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
Maltase-glucoamylase


(Homo sapiens (Human))
BDBM50024118
PNG
(5-(3,7-Dimethyl-octa-2,6-dienylamino)-1-hydroxymet...)
Show SMILES [#6]\[#6](-[#6])=[#6]/[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#7]-[#6@H]-1-[#6][C@]([#8])([#6]-[#8])[#6@@H](-[#8])-[#6@H](-[#8])-[#6@H]-1-[#8] |r|
Show InChI InChI=1S/C17H31NO5/c1-11(2)5-4-6-12(3)7-8-18-13-9-17(23,10-19)16(22)15(21)14(13)20/h5,7,13-16,18-23H,4,6,8-10H2,1-3H3/b12-7+/t13-,14?,15-,16-,17?/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 520n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against porcine maltase


J Med Chem 29: 1038-46 (1986)


BindingDB Entry DOI: 10.7270/Q27P8ZZV
More data for this
Ligand-Target Pair
Sucrase-isomaltase


(Homo sapiens (Human))
BDBM50024118
PNG
(5-(3,7-Dimethyl-octa-2,6-dienylamino)-1-hydroxymet...)
Show SMILES [#6]\[#6](-[#6])=[#6]/[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#7]-[#6@H]-1-[#6][C@]([#8])([#6]-[#8])[#6@@H](-[#8])-[#6@H](-[#8])-[#6@H]-1-[#8] |r|
Show InChI InChI=1S/C17H31NO5/c1-11(2)5-4-6-12(3)7-8-18-13-9-17(23,10-19)16(22)15(21)14(13)20/h5,7,13-16,18-23H,4,6,8-10H2,1-3H3/b12-7+/t13-,14?,15-,16-,17?/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 11n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Alpha-D-glucosidase inhibitory activity and enzyme inhibition in vitro against porcine sucrase


J Med Chem 29: 1038-46 (1986)


BindingDB Entry DOI: 10.7270/Q27P8ZZV
More data for this
Ligand-Target Pair