BDBM50135147 (+)-axillaridine A::14-(1-dimethylaminoethyl)-2,15-dimethyl-6-oxo-5-phenylcarboxamido-(1S,7R,10S,11S,15S)-tetracyclo[8.7.0.02,7.011,15]heptadec-4-ene::CHEMBL335133::N-[(5R,8S,9S,10R,13S,14S,17S)-17-((S)-1-Dimethylamino-ethyl)-10,13-dimethyl-4-oxo-4,5,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]-benzamide
SMILES: C[C@@H]([C@H]1CC[C@H]2[C@@H]3CC[C@H]4C(=O)C(NC(=O)c5ccccc5)=CC[C@]4(C)[C@H]3CC[C@]12C)N(C)C
InChI Key: InChIKey=ZMAOKPMWBVUQPK-IWDJEAQTSA-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 |
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Cholinesterases (Homo sapiens (Human)) | BDBM50135147 ((+)-axillaridine A | 14-(1-dimethylaminoethyl)-2,1...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem | Article PubMed | 2.15E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Innsbruck Curated by ChEMBL | Assay Description In vitro binding affinity was determined against butyrylcholinesterase from torpedo californica | J Med Chem 46: 5087-90 (2003) Article DOI: 10.1021/jm0309194 BindingDB Entry DOI: 10.7270/Q2DB818T | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Acetylcholinesterase (Tetronarce californica (Pacific electric ray) (Tor...) | BDBM50135147 ((+)-axillaridine A | 14-(1-dimethylaminoethyl)-2,1...) | PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem | Article PubMed | 3.03E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Innsbruck Curated by ChEMBL | Assay Description In vitro binding affinity was determined against acetylcholinesterase from torpedo californica | J Med Chem 46: 5087-90 (2003) Article DOI: 10.1021/jm0309194 BindingDB Entry DOI: 10.7270/Q2DB818T | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Anti-estrogen binding site (AEBS) (Homo sapiens (Human)) | BDBM50135147 ((+)-axillaridine A | 14-(1-dimethylaminoethyl)-2,1...) | Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem | Article PubMed | n/a | n/a | 8.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Illinois at Chicago Curated by ChEMBL | Assay Description Displacement of [3H]tamoxifen from antiestrogen binding site in Sprague-Dawley rat liver by liquid scintillation counting | J Nat Prod 61: 1257-62 (1998) Article DOI: 10.1021/np980162x BindingDB Entry DOI: 10.7270/Q2B27WJ0 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cholinesterases (Homo sapiens (Human)) | BDBM50135147 ((+)-axillaridine A | 14-(1-dimethylaminoethyl)-2,1...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem | Article PubMed | n/a | n/a | 2.49E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Innsbruck Curated by ChEMBL | Assay Description In vitro anticholinesterase activity of the compound was determined against butyrylcholinesterase from torpedo californica | J Med Chem 46: 5087-90 (2003) Article DOI: 10.1021/jm0309194 BindingDB Entry DOI: 10.7270/Q2DB818T | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Acetylcholinesterase (Homo sapiens (Human)) | BDBM50135147 ((+)-axillaridine A | 14-(1-dimethylaminoethyl)-2,1...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem | PubMed | n/a | n/a | 5.25E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Innsbruck Curated by ChEMBL | Assay Description Compound was tested for the in silico inhibition of acetylcholinesterase | Bioorg Med Chem Lett 13: 4375-80 (2003) BindingDB Entry DOI: 10.7270/Q29C6ZQG | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Acetylcholinesterase (Tetronarce californica (Pacific electric ray) (Tor...) | BDBM50135147 ((+)-axillaridine A | 14-(1-dimethylaminoethyl)-2,1...) | PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem | Article PubMed | n/a | n/a | 5.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Innsbruck Curated by ChEMBL | Assay Description In vitro anticholinesterase activity was determined against acetylcholinesterase from Torpedo californica | J Med Chem 46: 5087-90 (2003) Article DOI: 10.1021/jm0309194 BindingDB Entry DOI: 10.7270/Q2DB818T | |||||||||||
More data for this Ligand-Target Pair |