BDBM50346358 20S-[(4-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::CHEMBL1783515

SMILES COc1ccc(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)cc1

InChI Key InChIKey=JNQCYAPDXOOPBU-SGOUQRLHSA-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 = 50346358   

TargetAcetylcholinesterase(Human)
Cnrs

Curated by ChEMBL
LigandPNGBDBM50346358(20S-[(4-methoxybenzyl)(methyl)amino]-16alpha-hydro...)
Affinity DataIC50:  9nMAssay Description:Inhibition of recombinant human AChE using acetylthiocholine iodide as substrate by spectroscopic Ellmans methodMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAcetylcholinesterase(Electric eel)
Cnrs

Curated by ChEMBL
LigandPNGBDBM50346358(20S-[(4-methoxybenzyl)(methyl)amino]-16alpha-hydro...)
Affinity DataIC50:  18nMAssay Description:Inhibition of Electrophorus electricus AChE using acetylthiocholine iodide as substrate by spectroscopic Ellmans methodMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCholinesterase(Human)
Cnrs

Curated by ChEMBL
LigandPNGBDBM50346358(20S-[(4-methoxybenzyl)(methyl)amino]-16alpha-hydro...)
Affinity DataIC50:  217nMAssay Description:Inhibition of recombinant human serum BChE using butyrylthiocholine iodide as substrate by spectroscopic Ellmans methodMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed