BDBM50243736 (S)-2-(2-Bromo-3-oxo-spiro[3.5]non-1-en-1-ylamino)-3-[4-(2-pyridin-3-yl-imidazo[4,5-b]pyridin-3-yl)-phenyl]-propionic acid::CHEMBL481659

SMILES O=C(O)[C@H](Cc1ccc(-n2c(-c3cccnc3)nc3cccnc32)cc1)NC1=C(Br)C(=O)C12CCCCC2

InChI Key InChIKey=WQKGOLGYPXZSSX-UHFFFAOYSA-N

Data  5 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 5 hits for monomerid = 50243736   

TargetIntegrin alpha-4(Human)
Ucb Pharma

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50243736BDBM50243736((S)-2-(2-Bromo-3-oxo-spiro[3.5]non-1-en-1-ylamino)...)
Affinity DataIC50: 3nMAssay Description:Inhibition of integrin alpha4beta1 receptor in human whole blood by flow cytometryMore data for this Ligand-Target Pair
In Depth
Date in BDB:
1/11/2010
Entry Details Article
PubMed
TargetCytochrome P450 2C9(Human)
Ucb Pharma

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50243736BDBM50243736((S)-2-(2-Bromo-3-oxo-spiro[3.5]non-1-en-1-ylamino)...)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of CYP2C9More data for this Ligand-Target Pair
In Depth
Date in BDB:
1/11/2010
Entry Details Article
PubMed
TargetCytochrome P450 3A4(Human)
Ucb Pharma

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50243736BDBM50243736((S)-2-(2-Bromo-3-oxo-spiro[3.5]non-1-en-1-ylamino)...)
Affinity DataIC50: 6.20E+4nMAssay Description:Inhibition of CYP3A4More data for this Ligand-Target Pair
In Depth
Date in BDB:
1/11/2010
Entry Details Article
PubMed
TargetCytochrome P450 1A2(Human)
Ucb Pharma

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50243736BDBM50243736((S)-2-(2-Bromo-3-oxo-spiro[3.5]non-1-en-1-ylamino)...)
Affinity DataIC50: 1.00E+5nMAssay Description:Inhibition of CYP1A2More data for this Ligand-Target Pair
In Depth
Date in BDB:
1/11/2010
Entry Details Article
PubMed
TargetCytochrome P450 2D6(Human)
Ucb Pharma

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50243736BDBM50243736((S)-2-(2-Bromo-3-oxo-spiro[3.5]non-1-en-1-ylamino)...)
Affinity DataIC50: 1.00E+5nMAssay Description:Inhibition of CYP2D6More data for this Ligand-Target Pair
In Depth
Date in BDB:
1/11/2010
Entry Details Article
PubMed