BDBM205419 US9243020, 1::US9815861, Example 1

SMILES CCNC1=N[C@H]2[C@H](O[C@H](C)[C@@H](O)[C@@H]2O)S1

InChI Key InChIKey=NVPHCPSHUAUQSI-FMDGEEDCSA-N

Data  3 KI  6 IC50  1 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 = 205419   

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

Curated by ChEMBL
LigandPNGBDBM205419(US9243020, 1 | US9815861, Example 1)
Affinity DataKi:  69nMAssay Description:Inhibition of recombinant human OGAMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetProtein O-GlcNAcase(Homo sapiens (Human))
Merck

Curated by ChEMBL
LigandPNGBDBM205419(US9243020, 1 | US9815861, Example 1)
Affinity DataKi:  70nMAssay Description:Enzymatic reactions were carried out in a reaction containing 50 mM NaH2PO4, 100 mM NaCl and 0.1% BSA (pH 7.0) using 2 mM 4-Methylumbelliferyl N-acet...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetProtein O-GlcNAcase(Homo sapiens (Human))
Merck

Curated by ChEMBL
LigandPNGBDBM205419(US9243020, 1 | US9815861, Example 1)
Affinity DataKi:  70nM ΔG°:  -9.75kcal/molepH: 7.0 T: 2°CAssay Description:Enzymatic reactions were carried out in a reaction containing 50 mM NaH2PO4, 100 mM NaCl and 0.1% BSA (pH 7.0) using 2 mM 4-Methylumbelliferyl N-acet...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetVoltage-dependent L-type calcium channel subunit alpha-1C(Homo sapiens (Human))
Merck

Curated by ChEMBL
LigandPNGBDBM205419(US9243020, 1 | US9815861, Example 1)
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
TargetCytochrome P450 2D6(Homo sapiens (Human))
Merck

Curated by ChEMBL
LigandPNGBDBM205419(US9243020, 1 | US9815861, Example 1)
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
TargetCytochrome P450 2C9(Homo sapiens (Human))
Merck

Curated by ChEMBL
LigandPNGBDBM205419(US9243020, 1 | US9815861, Example 1)
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 3A4(Homo sapiens (Human))
Merck

Curated by ChEMBL
LigandPNGBDBM205419(US9243020, 1 | US9815861, Example 1)
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
LigandPNGBDBM205419(US9243020, 1 | US9815861, Example 1)
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
TargetNuclear receptor subfamily 1 group I member 2(Homo sapiens (Human))
Merck

Curated by ChEMBL
LigandPNGBDBM205419(US9243020, 1 | US9815861, Example 1)
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
TargetSodium channel protein type 5 subunit alpha(Homo sapiens (Human))
Merck

Curated by ChEMBL
LigandPNGBDBM205419(US9243020, 1 | US9815861, Example 1)
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