BDBM50190529 (2R)-2-(1-benzofuran-5-yl)-2-[(3R,6R)-3-(2,3-dihydro-1H-inden-2-yl)-6-(2-methylpropyl)-2,5-dioxo-1-piperazinyl]-N-(1-methylethyl)ethanamide::CHEMBL208787

SMILES CC(C)C[C@H]1N([C@@H](C(=O)NC(C)C)c2ccc3occc3c2)C(=O)[C@H](NC1=O)C1Cc2ccccc2C1

InChI Key InChIKey=DIHNBIJLWDSARE-UHFFFAOYSA-N

Data  6 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 6 hits for monomerid = 50190529   

TargetCytochrome P450 3A4(Human)
Cardiovascular and Urogenital Centre of Excellence For Drug Discovery

Curated by ChEMBL
LigandPNGBDBM50190529((2R)-2-(1-benzofuran-5-yl)-2-[(3R,6R)-3-(2,3-dihyd...)
Affinity DataIC50: 2.50E+3nMAssay Description:Inhibition of CYP450 3A4 transfected in human microsome using DEF fluorogenic substrateMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetCytochrome P450 2C9(Human)
Cardiovascular and Urogenital Centre of Excellence For Drug Discovery

Curated by ChEMBL
LigandPNGBDBM50190529((2R)-2-(1-benzofuran-5-yl)-2-[(3R,6R)-3-(2,3-dihyd...)
Affinity DataIC50: 3.50E+3nMAssay Description:Inhibition of CYP450 2C9 transfected in human microsomeMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetCytochrome P450 3A4(Human)
Cardiovascular and Urogenital Centre of Excellence For Drug Discovery

Curated by ChEMBL
LigandPNGBDBM50190529((2R)-2-(1-benzofuran-5-yl)-2-[(3R,6R)-3-(2,3-dihyd...)
Affinity DataIC50: 4.30E+3nMAssay Description:Inhibition of CYP450 3A4 transfected in human microsome using PPR fluorogenic substrateMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetCytochrome P450 2D6(Human)
Cardiovascular and Urogenital Centre of Excellence For Drug Discovery

Curated by ChEMBL
LigandPNGBDBM50190529((2R)-2-(1-benzofuran-5-yl)-2-[(3R,6R)-3-(2,3-dihyd...)
Affinity DataIC50: 6.20E+4nMAssay Description:Inhibition of CYP450 2D6 transfected in human microsome using DEF fluorogenic substrateMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetCytochrome P450 1A2(Human)
Cardiovascular and Urogenital Centre of Excellence For Drug Discovery

Curated by ChEMBL
LigandPNGBDBM50190529((2R)-2-(1-benzofuran-5-yl)-2-[(3R,6R)-3-(2,3-dihyd...)
Affinity DataIC50: 7.30E+4nMAssay Description:Inhibition of CYP450 1A2 transfected in human microsomeMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetCytochrome P450 2C19(Human)
Cardiovascular and Urogenital Centre of Excellence For Drug Discovery

Curated by ChEMBL
LigandPNGBDBM50190529((2R)-2-(1-benzofuran-5-yl)-2-[(3R,6R)-3-(2,3-dihyd...)
Affinity DataIC50: 1.00E+5nMAssay Description:Inhibition of CYP450 2C19 transfected in human microsomeMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed