BDBM50061236 CHEMBL3120454

SMILES COC(=O)N[C@@H](C(C)C)C(=O)N1C[C@@H](C)C[C@H]1c1ncc([nH]1)-c1ccc(cc1)-c1ccc(cc1)-c1cc2[nH]c(nc2s1)[C@@H]1C[C@H](C)CN1C(=O)[C@@H](NC(=O)OC)C(C)C

InChI Key InChIKey=JQAPVYUJGNPKDM-UHFFFAOYSA-N

Data  4 IC50

  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 4 hits for monomerid = 50061236   

TargetCytochrome P450 3A4(Human)
Vertex Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50061236(CHEMBL3120454)
Affinity DataIC50: 3.00E+4nMAssay Description:Inhibition of CYP3A4 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/4/2016
Entry Details Article
PubMed
TargetCytochrome P450 2D6(Human)
Vertex Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50061236(CHEMBL3120454)
Affinity DataIC50: 3.00E+4nMAssay Description:Inhibition of CYP2D6 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/4/2016
Entry Details Article
PubMed
TargetCytochrome P450 2C9(Human)
Vertex Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50061236(CHEMBL3120454)
Affinity DataIC50: 3.00E+4nMAssay Description:Inhibition of CYP2C9 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/4/2016
Entry Details Article
PubMed
TargetPotassium voltage-gated channel subfamily H member 2(Human)
Vertex Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50061236(CHEMBL3120454)
Affinity DataIC50: 4.00E+4nMAssay Description:Inhibition of human ERG by Q-patch assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
4/4/2016
Entry Details Article
PubMed