BDBM50344585 3-(4-(2-(3-cyclohexyl-1-methyl-2-(pyridin-2-yl)-1H-indole-6-carboxamido)-2-methylpropanamido)phenyl)acrylic acid::CHEMBL1778481

SMILES Cn1c(c(C2CCCCC2)c2ccc(cc12)C(=O)NC(C)(C)C(=O)Nc1ccc(\C=C\C(O)=O)cc1)-c1ccccn1

InChI Key InChIKey=SDPOAFSISKXZLC-UHFFFAOYSA-N

Data  5 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 5 hits for monomerid = 50344585   

TargetCytochrome P450 2C9(Human)
Boehringer Ingelheim (Canada)

Curated by ChEMBL
LigandPNGBDBM50344585(3-(4-(2-(3-cyclohexyl-1-methyl-2-(pyridin-2-yl)-1H...)
Affinity DataIC50: 7.90E+3nMAssay Description:Inhibition of CYP2C9More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/4/2011
Entry Details Article
PubMed
TargetCytochrome P450 2C19(Human)
Boehringer Ingelheim (Canada)

Curated by ChEMBL
LigandPNGBDBM50344585(3-(4-(2-(3-cyclohexyl-1-methyl-2-(pyridin-2-yl)-1H...)
Affinity DataIC50: 2.70E+3nMAssay Description:Inhibition of CYP2C19More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/4/2011
Entry Details Article
PubMed
TargetCytochrome P450 2D6(Human)
Boehringer Ingelheim (Canada)

Curated by ChEMBL
LigandPNGBDBM50344585(3-(4-(2-(3-cyclohexyl-1-methyl-2-(pyridin-2-yl)-1H...)
Affinity DataIC50: 1.66E+4nMAssay Description:Inhibition of CYP2D6More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/4/2011
Entry Details Article
PubMed
TargetCytochrome P450 3A4(Human)
Boehringer Ingelheim (Canada)

Curated by ChEMBL
LigandPNGBDBM50344585(3-(4-(2-(3-cyclohexyl-1-methyl-2-(pyridin-2-yl)-1H...)
Affinity DataIC50: 8.90E+3nMAssay Description:Inhibition of CYP3A4More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/4/2011
Entry Details Article
PubMed
TargetCytochrome P450 1A2(Human)
Boehringer Ingelheim (Canada)

Curated by ChEMBL
LigandPNGBDBM50344585(3-(4-(2-(3-cyclohexyl-1-methyl-2-(pyridin-2-yl)-1H...)
Affinity DataIC50: 3.00E+4nMAssay Description:Inhibition of CYP1A2More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/4/2011
Entry Details Article
PubMed