BDBM50513956 CHEMBL4448352

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

InChI Key InChIKey=ICJGJSLPQBWFGV-FMDGEEDCSA-N

Data  2 KI  6 IC50  2 EC50

  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 10 hits for monomerid = 50513956   

TargetProtein O-GlcNAcase(Homo sapiens (Human))
Merck

Curated by ChEMBL
LigandPNGBDBM50513956(CHEMBL4448352)
Affinity DataKi:  29nMAssay Description:Inhibition of recombinant human OGAMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetBeta-hexosaminidase subunit beta(Homo sapiens (Human))
Merck

Curated by ChEMBL
LigandPNGBDBM50513956(CHEMBL4448352)
Affinity DataKi: >1.00E+4nMAssay 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
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetCytochrome P450 2C9(Homo sapiens (Human))
Merck

Curated by ChEMBL
LigandPNGBDBM50513956(CHEMBL4448352)
Affinity DataIC50: >5.00E+4nMAssay Description:Inhibition of CYP2C9 (unknown origin)More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetCytochrome P450 2D6(Homo sapiens (Human))
Merck

Curated by ChEMBL
LigandPNGBDBM50513956(CHEMBL4448352)
Affinity DataIC50: >5.00E+4nMAssay Description:Inhibition of CYP2D6 (unknown origin)More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetNuclear receptor subfamily 1 group I member 2(Homo sapiens (Human))
Merck

Curated by ChEMBL
LigandPNGBDBM50513956(CHEMBL4448352)
Affinity DataEC50: >3.00E+4nMAssay Description:Activation of PXR (unknown origin) assessed as CYP3A4 inductionMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetCytochrome P450 3A4(Homo sapiens (Human))
Merck

Curated by ChEMBL
LigandPNGBDBM50513956(CHEMBL4448352)
Affinity DataIC50: >5.00E+4nMAssay Description:Inhibition of CYP3A4 (unknown origin)More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetPotassium voltage-gated channel subfamily H member 2(Homo sapiens (Human))
Merck

Curated by ChEMBL
LigandPNGBDBM50513956(CHEMBL4448352)
Affinity DataIC50: >3.00E+4nMAssay Description:Displacement of MK-0499 from human ERGMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetSodium channel protein type 5 subunit alpha(Homo sapiens (Human))
Merck

Curated by ChEMBL
LigandPNGBDBM50513956(CHEMBL4448352)
Affinity DataIC50: >3.00E+4nMAssay Description:Inhibition of Nav1.5 (unknown origin)More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetProtein O-GlcNAcase(Rattus norvegicus)
Merck

Curated by ChEMBL
LigandPNGBDBM50513956(CHEMBL4448352)
Affinity DataEC50:  443nMAssay 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
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetVoltage-dependent L-type calcium channel subunit alpha-1C(Homo sapiens (Human))
Merck

Curated by ChEMBL
LigandPNGBDBM50513956(CHEMBL4448352)
Affinity DataIC50: >3.00E+4nMAssay Description:Inhibition of Cav1.2 (unknown origin)More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed