BDBM50317432 CHEMBL1098728::NEORAUTENOL

SMILES CC1(C)Oc2cc3OC[C@@H]4[C@@H](Oc5cc(O)ccc45)c3cc2C=C1

InChI Key InChIKey=OGFFMQWYZCTXCM-UHFFFAOYSA-N

Data  1 KI  3 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 = 50317432   

TargetSialidase(Clostridium perfringens)
Chosun University

Curated by ChEMBL
LigandPNGBDBM50317432(CHEMBL1098728 | NEORAUTENOL)
Affinity DataIC50: 1.98E+4nMAssay Description:Inhibition of Clostridium perfringens neuraminidase assessed as inhibition of 4-MU-NANA hydrolysis after 10 mins by spectrofluorimetryMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/19/2010
Entry Details Article
PubMed
TargetSialidase(Vibrio cholerae serotype O1 (strain ATCC 39315 / E...)
Chosun University

Curated by ChEMBL
LigandPNGBDBM50317432(CHEMBL1098728 | NEORAUTENOL)
Affinity DataIC50: 5.31E+4nMAssay Description:Inhibition of Vibrio cholerae neuraminidase assessed as inhibition of 4-MU-NANA hydrolysis after 30 mins by spectrofluorimetryMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/19/2010
Entry Details Article
PubMed
TargetTyrosine-protein phosphatase non-receptor type 1(Human)
Chosun University

Curated by ChEMBL
LigandPNGBDBM50317432(CHEMBL1098728 | NEORAUTENOL)
Affinity DataIC50: 7.60E+3nMAssay Description:Inhibition of human recombinant PTP1B assessed as p-nitrophenol productionMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/29/2012
Entry Details Article
PubMed
TargetSialidase(Clostridium perfringens)
Chosun University

Curated by ChEMBL
LigandPNGBDBM50317432(CHEMBL1098728 | NEORAUTENOL)
Affinity DataKi:  2.17E+4nMAssay Description:Noncompetitive inhibition of Clostridium perfringens neuraminidaseMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/19/2010
Entry Details Article
PubMed