BDBM50552232 CHEMBL4776624

SMILES COc1cc(\C=C2/Cc3ccc(cc3C2=O)N2CCCC2)ccc1O

InChI Key InChIKey=NVQINGBIQLEIMK-MHWRWJLKSA-N

Data  1 KI  5 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50552232   

TargetCocaine esterase(Homo sapiens (Human))
Shanghai University Of Traditional Chinese Medicine

Curated by ChEMBL
LigandPNGBDBM50552232(CHEMBL4776624)
Affinity DataKi:  68nMAssay Description:Mixed inhibition of hCES2A in human liver microsome assessed as reduction in fluorescein diacetate hydrolysis preincubated for 10 mins followed by su...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetLiver carboxylesterase 1(Homo sapiens (Human))
Shanghai University Of Traditional Chinese Medicine

Curated by ChEMBL
LigandPNGBDBM50552232(CHEMBL4776624)
Affinity DataIC50: >1.00E+5nMAssay Description:Inhibition of hCES1A in human liver microsome assessed as reduction in D-Iuciferin methyl ester hydrolysis preincubated for 10 mins followed by subst...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetPancreatic triacylglycerol lipase(Sus scrofa (Pig))
Zhengzhou University

Curated by ChEMBL
LigandPNGBDBM50552232(CHEMBL4776624)
Affinity DataIC50:  3.50E+3nMAssay Description:Inhibition of porcine pancreatic lipase preincubated for 10 mins followed by 4-MUO addition and measured at 60 sec interval for 40 mins by multi plat...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetCocaine esterase(Homo sapiens (Human))
Shanghai University Of Traditional Chinese Medicine

Curated by ChEMBL
LigandPNGBDBM50552232(CHEMBL4776624)
Affinity DataIC50:  4.45E+3nMAssay Description:Inhibition of hCES2A in human HepG2 cells assessed as reduction in fluorogenic substrate NCEN hydrolysis preincubated for 1 hr followed by substrate ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetCocaine esterase(Homo sapiens (Human))
Shanghai University Of Traditional Chinese Medicine

Curated by ChEMBL
LigandPNGBDBM50552232(CHEMBL4776624)
Affinity DataIC50:  52nMAssay Description:Inhibition of hCES2A in human liver microsome assessed as reduction in fluorescein diacetate hydrolysis preincubated for 10 mins followed by substrat...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetCholinesterase(Homo sapiens (Human))
Shanghai University Of Traditional Chinese Medicine

Curated by ChEMBL
LigandPNGBDBM50552232(CHEMBL4776624)
Affinity DataIC50: >1.00E+5nMAssay Description:Inhibition of BChE in human plasma assessed as reduction in butyrylthiocholineiodide hydrolysis preincubated for 3 mins followed by substrate additio...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed