BDBM50513936 CHEMBL4570378

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

InChI Key InChIKey=AVBFRSQZSIUFPO-UHFFFAOYSA-N

Data  1 KI  6 IC50  1 EC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 8 hits for monomerid = 50513936   

LigandPNGBDBM50513936(CHEMBL4570378)
Affinity DataIC50: 3.00E+4nMAssay Description:Displacement of MK-0499 from human ERGMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/21/2021
Entry Details Article
PubMed
LigandPNGBDBM50513936(CHEMBL4570378)
Affinity DataIC50: 3.00E+4nMAssay Description:Inhibition of Nav1.5 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/21/2021
Entry Details Article
PubMed
TargetCytochrome P450 3A4(Human)
Merck

Curated by ChEMBL
LigandPNGBDBM50513936(CHEMBL4570378)
Affinity DataIC50: 5.00E+4nMAssay Description:Inhibition of CYP3A4 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/21/2021
Entry Details Article
PubMed
TargetCytochrome P450 2D6(Human)
Merck

Curated by ChEMBL
LigandPNGBDBM50513936(CHEMBL4570378)
Affinity DataIC50: 5.00E+4nMAssay Description:Inhibition of CYP2D6 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/21/2021
Entry Details Article
PubMed
TargetCytochrome P450 2C9(Human)
Merck

Curated by ChEMBL
LigandPNGBDBM50513936(CHEMBL4570378)
Affinity DataIC50: 5.00E+4nMAssay Description:Inhibition of CYP2C9 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/21/2021
Entry Details Article
PubMed
LigandPNGBDBM50513936(CHEMBL4570378)
Affinity DataEC50: >3.00E+4nMAssay Description:Activation of PXR (unknown origin) assessed as CYP3A4 inductionMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/21/2021
Entry Details Article
PubMed
LigandPNGBDBM50513936(CHEMBL4570378)
Affinity DataIC50: 3.00E+4nMAssay Description:Inhibition of Cav1.2 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/21/2021
Entry Details Article
PubMed
TargetProtein O-GlcNAcase(Human)
Merck

Curated by ChEMBL
LigandPNGBDBM50513936(CHEMBL4570378)
Affinity DataKi:  190nMAssay Description:Inhibition of recombinant human OGAMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/21/2021
Entry Details Article
PubMed