BDBM50154561 CHEMBL3774603

SMILES [H][C@@]12C[C@](C)(CC[C@]1(C)CC[C@]1(C)C2=CC[C@]2([H])[C@@]3(C)CC[C@H](OC(=O)CCC(O)=O)C(C)(C)[C@]3([H])CC[C@@]12C)C(=O)OCC

InChI Key InChIKey=UJCCELSWWRMAPH-UHFFFAOYSA-N

Data  1 KI  2 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 = 50154561   

TargetLiver carboxylesterase 1(Human)
Dalian Institute of Chemical Physics

Curated by ChEMBL
LigandPNGBDBM50154561(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
TargetCocaine esterase(Human)
Dalian Institute of Chemical Physics

Curated by ChEMBL
LigandPNGBDBM50154561(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
LigandPNGBDBM50154561(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