BDBM50346356 20S-[(2-methoxybenzyl)(methyl)amino]-16alpha-hydroxy-4beta,14alpha-dimethyl-9,19-cyclo-{2'-isopropyl-5',6'-dihydro-4'alphaH-[1',3']thiazino[4',5':3,4]}-5alpha,9beta-pregnan-11-one::CHEMBL1783528

SMILES COc1ccccc1CN(C)[C@@H](C)[C@H]1[C@H](O)C[C@@]2(C)[C@@H]3CC[C@@H]4[C@]5(C[C@@]35C(=O)C[C@]12C)CC[C@@H]1N=C(SC[C@@]41C)C(C)C

InChI Key InChIKey=BSACLFCWNMRHBP-UHFFFAOYSA-N

Data  3 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50346356   

TargetAcetylcholinesterase(Human)
Cnrs

Curated by ChEMBL
LigandPNGBDBM50346356(20S-[(2-methoxybenzyl)(methyl)amino]-16alpha-hydro...)
Affinity DataIC50: 6nMAssay Description:Inhibition of recombinant human AChE using acetylthiocholine iodide as substrate by spectroscopic Ellmans methodMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/6/2011
Entry Details Article
PubMed
TargetAcetylcholinesterase(Electric eel)
Cnrs

Curated by ChEMBL
LigandPNGBDBM50346356(20S-[(2-methoxybenzyl)(methyl)amino]-16alpha-hydro...)
Affinity DataIC50: 12nMAssay Description:Inhibition of Electrophorus electricus AChE using acetylthiocholine iodide as substrate by spectroscopic Ellmans methodMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/6/2011
Entry Details Article
PubMed
TargetCholinesterase(Human)
Cnrs

Curated by ChEMBL
LigandPNGBDBM50346356(20S-[(2-methoxybenzyl)(methyl)amino]-16alpha-hydro...)
Affinity DataIC50: 333nMAssay Description:Inhibition of recombinant human serum BChE using butyrylthiocholine iodide as substrate by spectroscopic Ellmans methodMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/6/2011
Entry Details Article
PubMed