BDBM50154561 CHEMBL3774603

SMILES CCOC(=O)[C@@]1(C)CC[C@]2(C)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)CCC(=O)O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1

InChI Key InChIKey=UJCCELSWWRMAPH-UHFFFAOYSA-N

Data  1 KI  2 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 = 50154561   

TargetCocaine esterase(Human)
Dalian Institute of Chemical Physics

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50154561BDBM50154561(CHEMBL3774603)
Affinity DataIC50: 20nMAssay Description:Inhibition of CE2 in human liver microsomes using fluorescein diacetate as substrate preincubated for 10 mins followed by substrate addition measured...More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/7/2017
Entry Details Article
PubMed
TargetCocaine esterase(Human)
Dalian Institute of Chemical Physics

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50154561BDBM50154561(CHEMBL3774603)
Affinity DataKi:  42nMAssay Description:Competitive inhibition of CE2 in human liver microsomes using fluorescein diacetate as substrate preincubated for 10 mins followed by substrate addit...More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/7/2017
Entry Details Article
PubMed
TargetLiver carboxylesterase 1(Human)
Dalian Institute of Chemical Physics

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50154561BDBM50154561(CHEMBL3774603)
Affinity DataIC50: 2.04E+4nMAssay Description:Inhibition of CE1 in human liver microsomes using 2-(2-Benzoyl-3-methoxyphenyl) benzothiazole as substrate preincubated for 10 mins followed by subst...More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/7/2017
Entry Details Article
PubMed