BDBM50154559 CHEMBL2151605

SMILES [H][C@@]12C[C@](C)(CC[C@]1(C)CC[C@]1(C)C2=CC(=O)[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=YQEIGSFQEZWSQP-UHFFFAOYSA-N

Data  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 2 hits for monomerid = 50154559   

TargetLiver carboxylesterase 1(Human)
Dalian Institute of Chemical Physics

Curated by ChEMBL
LigandPNGBDBM50154559(CHEMBL2151605)
Affinity DataIC50: 1.00E+5nMAssay 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
LigandPNGBDBM50154559(CHEMBL2151605)
Affinity DataIC50: 660nMAssay 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