BDBM50346357 20S-[(3-methoxybenzyl)(methyl)amino]-16alpha-hydroxy-4beta,14alpha-dimethyl-9,19-cyclo-{2'-isopropyl-5',6'-dihydro-4'aH-[1',3']thiazino[4',5':3,4]}-5alpha,9beta-pregnan-11-one::CHEMBL1783514

SMILES COc1cccc(CN(C)[C@@H](C)[C@H]2[C@H](O)C[C@@]3(C)[C@@H]4CC[C@@H]5[C@]6(C[C@@]46C(=O)C[C@]23C)CC[C@@H]2N=C(SC[C@@]52C)C(C)C)c1

InChI Key InChIKey=MNADYPWSJDDNJK-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 = 50346357   

TargetAcetylcholinesterase(Human)
Cnrs

Curated by ChEMBL
LigandPNGBDBM50346357(20S-[(3-methoxybenzyl)(methyl)amino]-16alpha-hydro...)
Affinity DataIC50: 3nMAssay 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
LigandPNGBDBM50346357(20S-[(3-methoxybenzyl)(methyl)amino]-16alpha-hydro...)
Affinity DataIC50: 6nMAssay 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
LigandPNGBDBM50346357(20S-[(3-methoxybenzyl)(methyl)amino]-16alpha-hydro...)
Affinity DataIC50: 477nMAssay 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