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
Target/Host (Institution) | Ligand | Target/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 | pH | Temp °C |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Acetylcholinesterase (Tetronarce californica (Pacific electric ray) (Tor...) | BDBM10632 ((-)-Huperzine B | (1R,10R)-16-methyl-6,14-diazatet...) | PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | Purchase PC cid PC sid PDB UniChem Similars | PDB Article PubMed | 334 | -8.83 | n/a | n/a | n/a | n/a | n/a | 7.0 | 25 |
Weizmann Institute of Science | Assay Description The cholinesterase assays were performed using colorimetric method reported by Ellman. Enzyme activity was determined by measuring the absorbance at ... | Biochemistry 41: 10810-8 (2002) Article DOI: 10.1021/bi020151+ BindingDB Entry DOI: 10.7270/Q2HQ3X52 | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Acetylcholinesterase (Rattus norvegicus (rat)) | BDBM10632 ((-)-Huperzine B | (1R,10R)-16-methyl-6,14-diazatet...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | Purchase PC cid PC sid PDB UniChem Similars | Article PubMed | n/a | n/a | 1.93E+4 | n/a | n/a | n/a | n/a | 7.4 | 37 |
Shanghai Institute of Materia Medica | Assay Description The cholinesterase assays were performed using colorimetric method reported by Ellman. Enzyme activity was determined by measuring the absorbance at... | J Med Chem 48: 655-7 (2005) Article DOI: 10.1021/jm0496178 BindingDB Entry DOI: 10.7270/Q2FQ9TT0 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carboxylic ester hydrolase (Rattus norvegicus (rat)) | BDBM10632 ((-)-Huperzine B | (1R,10R)-16-methyl-6,14-diazatet...) | Reactome pathway KEGG UniProtKB/TrEMBL GoogleScholar AffyNet | Purchase PC cid PC sid PDB UniChem Similars | Article PubMed | n/a | n/a | 2.27E+5 | n/a | n/a | n/a | n/a | 7.4 | 37 |
Shanghai Institute of Materia Medica | Assay Description The cholinesterase assays were performed using colorimetric method reported by Ellman. Enzyme activity was determined by measuring the absorbance at... | J Med Chem 48: 655-7 (2005) Article DOI: 10.1021/jm0496178 BindingDB Entry DOI: 10.7270/Q2FQ9TT0 | |||||||||||
More data for this Ligand-Target Pair |