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-SFQUDFHCSA-N

Data  14 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 14 hits for monomerid = 50398052   

TargetCytochrome P450 1A2(Homo sapiens (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 DepthDetails ArticlePubMed
TargetCytochrome P450 2C9(Homo sapiens (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 DepthDetails ArticlePubMed
TargetCytochrome P450 2C19(Homo sapiens (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 DepthDetails ArticlePubMed
TargetCytochrome P450 2D6(Homo sapiens (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 DepthDetails ArticlePubMed
TargetCytochrome P450 3A4(Homo sapiens (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 DepthDetails ArticlePubMed
TargetAmine oxidase [flavin-containing] A(Homo sapiens (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 DepthDetails ArticlePubMed
TargetCytochrome P450 2C19(Homo sapiens (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 DepthDetails ArticlePubMed
TargetGlucocorticoid receptor(Homo sapiens (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 DepthDetails ArticlePubMed
TargetProstaglandin G/H synthase 2(Homo sapiens (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 DepthDetails ArticlePubMed
TargetCathepsin G(Homo sapiens (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 DepthDetails ArticlePubMed
TargetPolyunsaturated fatty acid 5-lipoxygenase(Homo sapiens (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 DepthDetails ArticlePubMed
TargetAlpha-2A adrenergic receptor(Homo sapiens (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 DepthDetails ArticlePubMed
TargetCytochrome P450 3A4(Homo sapiens (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 DepthDetails ArticlePubMed
TargetD(1A) dopamine receptor(Homo sapiens (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 DepthDetails ArticlePubMed