Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kJ/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Acetylcholinesterase (542/542 = 100%)† (Homo sapiens (Human)) | BDBM50423877 (DIHYDROTANSHINONE | Dihydrotanshinone I | acs.jmed...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase MCE PC cid PC sid PDB UniChem Similars | PDB Article PubMed | 600 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
New York Structural Biology Center Curated by ChEMBL | Assay Description Inhibition of human acetylcholinesterase | ACS Med Chem Lett 4: 1091-6 (2013) Article DOI: 10.1021/ml400304w BindingDB Entry DOI: 10.7270/Q2VT1W2P | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Acetylcholinesterase (542/542 = 100%)† (Homo sapiens (Human)) | BDBM50423877 (DIHYDROTANSHINONE | Dihydrotanshinone I | acs.jmed...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase MCE PC cid PC sid PDB UniChem Similars | PDB Article PubMed | 750 | -35.0 | n/a | n/a | n/a | n/a | n/a | 7.0 | 25 |
Mayo Clinic College of Medicine | Assay Description Assays were conducted at 25 C in 20 mM sodium phosphate buffer (pH 7.0) and 0.01% bovine serum albumin unless otherwise noted. AChE concentrations we... | Biochemistry 52: 7486-99 (2013) Article DOI: 10.1021/bi401043w BindingDB Entry DOI: 10.7270/Q24X56GT | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Acetylcholinesterase (542/542 = 100%)† (Homo sapiens (Human)) | BDBM50423877 (DIHYDROTANSHINONE | Dihydrotanshinone I | acs.jmed...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase MCE PC cid PC sid PDB UniChem Similars | PDB Article PubMed | 1.95E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
St. Jude Children's Research Hospital Curated by ChEMBL | Assay Description Inhibition of human AChE using acetylthiocholine as substrate by spectrophotometric assay | J Nat Prod 76: 36-44 (2013) Article DOI: 10.1021/np300628a BindingDB Entry DOI: 10.7270/Q2VX0HWJ | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Acetylcholinesterase (542/542 = 100%)† (Homo sapiens (Human)) | BDBM50423877 (DIHYDROTANSHINONE | Dihydrotanshinone I | acs.jmed...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase MCE PC cid PC sid PDB UniChem Similars | PDB Article PubMed | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
St. Jude Children's Research Hospital Curated by ChEMBL | Assay Description Inhibition of human BChE using butyrylthiocholine as substrate by spectrophotometric assay | J Nat Prod 76: 36-44 (2013) Article DOI: 10.1021/np300628a BindingDB Entry DOI: 10.7270/Q2VX0HWJ | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Acetylcholinesterase (542/542 = 100%)† (Homo sapiens (Human)) | BDBM50423877 (DIHYDROTANSHINONE | Dihydrotanshinone I | acs.jmed...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase MCE PC cid PC sid PDB UniChem Similars | PDB Article PubMed | n/a | n/a | 1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
New York Structural Biology Center Curated by ChEMBL | Assay Description Inhibition of acetylcholinesterase (unknown origin) | ACS Med Chem Lett 4: 1091-6 (2013) Article DOI: 10.1021/ml400304w BindingDB Entry DOI: 10.7270/Q2VT1W2P | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) |