BDBM50398052 CHEMBL2181776

SMILES Cn1c(c(C2CCCC2)c2ccc(cc12)C(=O)NC1(CCC1)C(=O)Nc1ccc(\C=C\C(O)=O)cc1)-c1ccccn1

InChI Key InChIKey=JBSNALXXNTWUEC-UHFFFAOYSA-N

Data  14 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 14 hits for monomerid = 50398052   

TargetCytochrome P450 1A2(Human)
Boehringer Ingelheim (Canada)

Curated by ChEMBL
LigandPNGBDBM50398052(CHEMBL2181776)
Affinity DataIC50: 1.30E+4nMAssay Description:Inhibition of CYP1A2 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/13/2016
Entry Details Article
PubMed
TargetCytochrome P450 2C9(Human)
Boehringer Ingelheim (Canada)

Curated by ChEMBL
LigandPNGBDBM50398052(CHEMBL2181776)
Affinity DataIC50: 3.50E+3nMAssay Description:Inhibition of CYP2C9 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/13/2016
Entry Details Article
PubMed
TargetCytochrome P450 2C19(Human)
Boehringer Ingelheim (Canada)

Curated by ChEMBL
LigandPNGBDBM50398052(CHEMBL2181776)
Affinity DataIC50: 2.90E+3nMAssay Description:Inhibition of CYP2C19 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/13/2016
Entry Details Article
PubMed
TargetCytochrome P450 2D6(Human)
Boehringer Ingelheim (Canada)

Curated by ChEMBL
LigandPNGBDBM50398052(CHEMBL2181776)
Affinity DataIC50: 3.00E+4nMAssay Description:Inhibition of CYP2D6 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/13/2016
Entry Details Article
PubMed
TargetCytochrome P450 3A4(Human)
Boehringer Ingelheim (Canada)

Curated by ChEMBL
LigandPNGBDBM50398052(CHEMBL2181776)
Affinity DataIC50: 3.00E+4nMAssay Description:Inhibition of CYP3A4 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/13/2016
Entry Details Article
PubMed
TargetAmine oxidase [flavin-containing] A(Human)
Boehringer Ingelheim (Canada)

Curated by ChEMBL
LigandPNGBDBM50398052(CHEMBL2181776)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of MAO-A (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/21/2016
Entry Details Article
PubMed
TargetD(1A) dopamine receptor(Human)
Boehringer Ingelheim (Canada)

Curated by ChEMBL
LigandPNGBDBM50398052(CHEMBL2181776)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of dopamine D1 receptor (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/21/2016
Entry Details Article
PubMed
TargetGlucocorticoid receptor(Human)
Boehringer Ingelheim (Canada)

Curated by ChEMBL
LigandPNGBDBM50398052(CHEMBL2181776)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of glucocorticoid receptor (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/21/2016
Entry Details Article
PubMed
TargetProstaglandin G/H synthase 2(Human)
Boehringer Ingelheim (Canada)

Curated by ChEMBL
LigandPNGBDBM50398052(CHEMBL2181776)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of COX2 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/21/2016
Entry Details Article
PubMed
TargetCathepsin G(Human)
Boehringer Ingelheim (Canada)

Curated by ChEMBL
LigandPNGBDBM50398052(CHEMBL2181776)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of cathepsin G (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/21/2016
Entry Details Article
PubMed
TargetPolyunsaturated fatty acid 5-lipoxygenase(Human)
Boehringer Ingelheim (Canada)

Curated by ChEMBL
LigandPNGBDBM50398052(CHEMBL2181776)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of 5-LO (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/21/2016
Entry Details Article
PubMed
TargetAlpha-2A adrenergic receptor(Human)
Boehringer Ingelheim (Canada)

Curated by ChEMBL
LigandPNGBDBM50398052(CHEMBL2181776)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of alpha2A adrenergic receptor (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/21/2016
Entry Details Article
PubMed
TargetCytochrome P450 3A4(Human)
Boehringer Ingelheim (Canada)

Curated by ChEMBL
LigandPNGBDBM50398052(CHEMBL2181776)
Affinity DataIC50: 9.50E+3nMAssay Description:Inhibition of CYP3A4More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/17/2013
Entry Details Article
PubMed
TargetCytochrome P450 2C19(Human)
Boehringer Ingelheim (Canada)

Curated by ChEMBL
LigandPNGBDBM50398052(CHEMBL2181776)
Affinity DataIC50: 2.90E+3nMAssay Description:Inhibition of CYP2C19More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/17/2013
Entry Details Article
PubMed