BDBM50346352 CHEMBL1783524::tert-butyl{16alpha-hydroxy-4beta,14alpha-dimethyl-11-oxo-9,19-cyclo-{2'-isopropyl-5',6'-dihydro-4'alphaH-[1',3']thiazino[4',5':3,4]}-5alpha,9beta-pregnan-20S-yl}methylcarbamate

SMILES CC(C)C1=N[C@H]2CC[C@]34C[C@@]33[C@@H](CC[C@H]4[C@]2(C)CS1)[C@]1(C)C[C@@H](O)[C@H]([C@H](C)N(C)C(=O)OC(C)(C)C)[C@@]1(C)CC3=O

InChI Key InChIKey=YQRCNYYDEFPBOB-UHFFFAOYSA-N

Data  3 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50346352   

TargetAcetylcholinesterase(Human)
Cnrs

Curated by ChEMBL
LigandPNGBDBM50346352(tert-butyl{16alpha-hydroxy-4beta,14alpha-dimethyl-...)
Affinity DataIC50: 159nMAssay 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
LigandPNGBDBM50346352(tert-butyl{16alpha-hydroxy-4beta,14alpha-dimethyl-...)
Affinity DataIC50: 186nMAssay 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
LigandPNGBDBM50346352(tert-butyl{16alpha-hydroxy-4beta,14alpha-dimethyl-...)
Affinity DataIC50: 1.00E+4nMAssay 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