BDBM50058829 CHEMBL3325867

SMILES COC(=O)[C@]12CCC(C)(C)C[C@H]1C1=CC[C@@H]3[C@@]4(C)C[C@@H](O)[C@H](OS(N)(=O)=O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2

InChI Key InChIKey=ZFHYOSPBLYPCBO-UHFFFAOYSA-N

Data  3 KI  1 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 4 hits for monomerid = 50058829   

TargetCarbonic anhydrase 2(Bovine)
Martin-Luther-Universit£T Halle-Wittenberg

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50058829BDBM50058829(CHEMBL3325867)
Affinity DataKi:  1.41E+3nMAssay Description:Inhibition of bovine erythrocyte carbonic anhydrase 2 using 4-nitrophenyl acetate substrate by photometric assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
4/2/2016
Entry Details Article
PubMed
TargetCholinesterase(Horse)
Martin-Luther-Universit£T Halle-Wittenberg

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50058829BDBM50058829(CHEMBL3325867)
Affinity DataKi: >2.00E+4nMAssay Description:Inhibition of equine serum BChE using butyrylthiocholine iodide as substrate preincubated for 20mins before the addition of substrate by Ellman's met...More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/2/2017
Entry Details Article
PubMed
TargetAcetylcholinesterase(Electric eel)
Martin-Luther-Universit£T Halle-Wittenberg

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50058829BDBM50058829(CHEMBL3325867)
Affinity DataKi:  2.05E+4nMAssay Description:Inhibition of Electrophorus electricus AChE using acetylthiocholine iodide as substrate preincubated for 20mins before the addition of substrate by E...More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/2/2017
Entry Details Article
PubMed
TargetAcetylcholinesterase(Electric eel)
Martin-Luther-Universit£T Halle-Wittenberg

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50058829BDBM50058829(CHEMBL3325867)
Affinity DataIC50: 2.13E+4nMAssay Description:Inhibition of Electrophorus electricus AChE using acetylthiocholine iodide as substrate preincubated for 20mins before the addition of substrate by E...More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/2/2017
Entry Details Article
PubMed