BDBM10632 (-)-Huperzine B::(1R,10R)-16-methyl-6,14-diazatetracyclo[7.5.3.0^{1,10}.0^{2,7}]heptadeca-2(7),3,16-trien-5-one

SMILES CC1=CC2Cc3[nH]c(=O)ccc3[C@]3(C1)NCCC[C@H]23

InChI Key InChIKey=YYWGABLTRMRUIT-ZLXOECBPSA-N

Data  1 KI  2 IC50

PDB links: 1 PDB ID matches this monomer.

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 10632   

TargetAcetylcholinesterase(Pacific electric ray)
Weizmann Institute of Science

LigandPNGBDBM10632((-)-Huperzine B | (1R,10R)-16-methyl-6,14-diazatet...)
Affinity DataKi:  334nM ΔG°:  -8.83kcal/molepH: 7.0 T: 25°CAssay Description:The cholinesterase assays were performed using colorimetric method reported by Ellman. Enzyme activity was determined by measuring the absorbance at ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMedPDB3D3D Structure (crystal)

TargetAcetylcholinesterase(Rat)
Shanghai Institute of Materia Medica

LigandPNGBDBM10632((-)-Huperzine B | (1R,10R)-16-methyl-6,14-diazatet...)
Affinity DataIC50:  1.93E+4nMpH: 7.4 T: 37°CAssay Description:The cholinesterase assays were performed using colorimetric method reported by Ellman. Enzyme activity was determined by measuring the absorbance at...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetCarboxylic ester hydrolase(Rat)
Shanghai Institute of Materia Medica

LigandPNGBDBM10632((-)-Huperzine B | (1R,10R)-16-methyl-6,14-diazatet...)
Affinity DataIC50:  2.27E+5nMpH: 7.4 T: 37°CAssay Description:The cholinesterase assays were performed using colorimetric method reported by Ellman. Enzyme activity was determined by measuring the absorbance at...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed