BDBM50101586 CHEMBL3394868

SMILES COC(=O)N[C@@H](C(C)C)C(=O)N1C[C@@H](C)C[C@H]1c1nc(c[nH]1)-c1ccc(cc1)-c1ccc(cc1)-c1ccc2[nH]c(nc2c1)[C@@H]1C[C@H](C)CN1C(=O)[C@@H](NC(=O)OC)C(C)C

InChI Key InChIKey=UPGJLYYUAKKKAD-UHFFFAOYSA-N

Data  7 IC50

  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 7 hits for monomerid = 50101586   

TargetCytochrome P450 3A4(Human)
Vertex Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50101586(CHEMBL3394868)
Affinity DataIC50: 3.00E+4nMAssay Description:Inhibition of CYP3A4 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/29/2016
Entry Details Article
PubMed
TargetCytochrome P450 2C9(Human)
Vertex Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50101586(CHEMBL3394868)
Affinity DataIC50: 3.00E+4nMAssay Description:Inhibition of CYP2C9 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/29/2016
Entry Details Article
PubMed
TargetCytochrome P450 2D6(Human)
Vertex Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50101586(CHEMBL3394868)
Affinity DataIC50: 3.00E+4nMAssay Description:Inhibition of CYP2D6 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/29/2016
Entry Details Article
PubMed
TargetCytochrome P450 2C19(Human)
Vertex Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50101586(CHEMBL3394868)
Affinity DataIC50: 3.00E+4nMAssay Description:Inhibition of CYP2C19 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/29/2016
Entry Details Article
PubMed
TargetCytochrome P450 1A2(Human)
Vertex Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50101586(CHEMBL3394868)
Affinity DataIC50: 3.00E+4nMAssay Description:Inhibition of CYP1A2 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/29/2016
Entry Details Article
PubMed
TargetPotassium voltage-gated channel subfamily H member 2(Human)
Vertex Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50101586(CHEMBL3394868)
Affinity DataIC50: 3.00E+4nMAssay Description:Inhibition of human ERG channel by planar techniqueMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/29/2016
Entry Details Article
PubMed
TargetPotassium voltage-gated channel subfamily H member 2(Human)
Vertex Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50101586(CHEMBL3394868)
Affinity DataIC50: 3.00E+4nMAssay Description:Inhibition of human ERG channel by QPatch techniqueMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/29/2016
Entry Details Article
PubMed