BDBM50513955 CHEMBL4483089

SMILES [H][C@]12O[C@H](CO)[C@@H](O)[C@H](O)[C@@]1([H])N=C(S2)N(C)CC

InChI Key InChIKey=JFKXPYCYZANQTG-UHFFFAOYSA-N

Data  2 KI  6 IC50  2 EC50

  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 10 hits for monomerid = 50513955   

TargetProtein O-GlcNAcase(Rat)
Merck

Curated by ChEMBL
LigandPNGBDBM50513955(CHEMBL4483089)
Affinity DataEC50:  37nMAssay Description:Inhibition of OGA in rat PC12 cells assessed as OGlcNAcylated protein level incubated for 24 hrs by ELISAMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
LigandPNGBDBM50513955(CHEMBL4483089)
Affinity DataIC50: 3.00E+4nMAssay Description:Displacement of MK-0499 from human ERGMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
LigandPNGBDBM50513955(CHEMBL4483089)
Affinity DataIC50: 3.00E+4nMAssay Description:Inhibition of Nav1.5 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
LigandPNGBDBM50513955(CHEMBL4483089)
Affinity DataIC50: 3.00E+4nMAssay Description:Inhibition of Cav1.2 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetCytochrome P450 2C9(Human)
Merck

Curated by ChEMBL
LigandPNGBDBM50513955(CHEMBL4483089)
Affinity DataIC50: 5.00E+4nMAssay Description:Inhibition of CYP2C9 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
LigandPNGBDBM50513955(CHEMBL4483089)
Affinity DataEC50: >3.00E+4nMAssay Description:Activation of PXR (unknown origin) assessed as CYP3A4 inductionMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetCytochrome P450 3A4(Human)
Merck

Curated by ChEMBL
LigandPNGBDBM50513955(CHEMBL4483089)
Affinity DataIC50: 5.00E+4nMAssay Description:Inhibition of CYP3A4 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetCytochrome P450 2D6(Human)
Merck

Curated by ChEMBL
LigandPNGBDBM50513955(CHEMBL4483089)
Affinity DataIC50: 5.00E+4nMAssay Description:Inhibition of CYP2D6 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetProtein O-GlcNAcase(Human)
Merck

Curated by ChEMBL
LigandPNGBDBM50513955(CHEMBL4483089)
Affinity DataKi:  5.5nMAssay Description:Inhibition of recombinant human OGAMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetBeta-hexosaminidase subunit beta(Human)
Merck

Curated by ChEMBL
LigandPNGBDBM50513955(CHEMBL4483089)
Affinity DataKi:  3.60E+3nMAssay Description:Inhibition of human beta hexosaminidase assessed as inhibitory constant using 4-methylumbelliferyl N-acetyl-beta-D-glucosaminide dihydrate as substra...More data for this Ligand-Target Pair
In DepthDetails Article
PubMed