Compile Data Set for Download or QSAR
maximum 50k data

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 5 hits in this display   

TargetAcetylcholinesterase(Homo sapiens (Human))
Isf College Of Pharmacy

Curated by ChEMBL
LigandPNGBDBM50300549(2,3-Dihydroxy-9,10-dimethoxy-5,6-dihydro-isoquino[...)
Affinity DataIC50:  7.80E+3nMAssay Description:Inhibition of acetylcholinesterase (unknown origin) using acetylthiocholine iodide as substrate incubated for 10 mins by Ellman's colorimetric methodMore data for this Ligand-Target Pair
In DepthDetails PubMed
TargetAmine oxidase [flavin-containing] B(Homo sapiens (Human))
Isf College Of Pharmacy

Curated by ChEMBL
LigandPNGBDBM50300549(2,3-Dihydroxy-9,10-dimethoxy-5,6-dihydro-isoquino[...)
Affinity DataIC50:  9.06E+3nMAssay Description:Inhibition of human MAO-B preincubated for 30 mins followed by substrate addition and measured for 10 to 40 mins by fluorescence based assayMore data for this Ligand-Target Pair
In DepthDetails PubMed
TargetCytochrome P450 1B1(Homo sapiens (Human))
Universit£

Curated by ChEMBL
LigandPNGBDBM50300549(2,3-Dihydroxy-9,10-dimethoxy-5,6-dihydro-isoquino[...)
Affinity DataIC50:  9.90E+3nMAssay Description:Inhibition of human CYP1B1 expressed in Escherichia coli DH5alpha coexpressing human NADPH-P450 reductase using 4-estradiol as substrate in presence ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetRas-related C3 botulinum toxin substrate 1(Homo sapiens (Human))
Exonhit Therapeutics

Curated by ChEMBL
LigandPNGBDBM50300549(2,3-Dihydroxy-9,10-dimethoxy-5,6-dihydro-isoquino[...)
Affinity DataIC50:  6.30E+4nMAssay Description:Inhibition of Rac1 GTPase activity assessed as incorporation of BODIPY-GTP after 40 mins by nucleotide binding competition assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCell division control protein 42 homolog(Homo sapiens (Human))
Exonhit Therapeutics

Curated by ChEMBL
LigandPNGBDBM50300549(2,3-Dihydroxy-9,10-dimethoxy-5,6-dihydro-isoquino[...)
Affinity DataIC50: >1.00E+5nMAssay Description:Inhibition of Cdc42 GTPase activity assessed as incorporation of BODIPY-GTP after 40 mins by nucleotide binding competition assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed