BDBM50197089 CHEMBL3889982

SMILES Clc1ccc2nc(N3CCCCC3)c(-c3n[nH]c(=O)o3)c(-c3ccccc3)c2c1

InChI Key InChIKey=KKPOBHHCNGNCLR-UHFFFAOYSA-N

Data  3 KI  3 IC50

PDB links: 1 PDB ID matches this monomer.

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50197089   

TargetFatty acid-binding protein, adipocyte(Homo sapiens (Human))
F. Hoffmann-La Roche

Curated by ChEMBL
LigandPNGBDBM50197089(CHEMBL3889982)
Affinity DataKi:  20nMAssay Description:Displacement of Bodipy-labeled fatty acid from recombinant human His6-tagged FABP4 expressed in Escherichia coli after 30 mins by TR-FRET assayMore data for this Ligand-Target Pair
TargetFatty acid-binding protein 5(Homo sapiens (Human))
F. Hoffmann-La Roche

Curated by ChEMBL
LigandPNGBDBM50197089(CHEMBL3889982)
Affinity DataKi:  167nMAssay Description:Displacement of Bodipy-labeled fatty acid from human N-terminal His6-tagged FABP5 (127 to 132 residues) expressed in Escherichia coli after 30 mins b...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetFatty acid-binding protein, heart(Homo sapiens (Human))
F. Hoffmann-La Roche

Curated by ChEMBL
LigandPNGBDBM50197089(CHEMBL3889982)
Affinity DataKi:  9.70E+3nMAssay Description:Displacement of Bodipy-labeled fatty acid from human FABP3 after 30 mins by TR-FRET assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 3A4(Homo sapiens (Human))
F. Hoffmann-La Roche

Curated by ChEMBL
LigandPNGBDBM50197089(CHEMBL3889982)
Affinity DataIC50: >5.00E+4nMAssay Description:Inhibition of CYP3A4 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2C9(Homo sapiens (Human))
F. Hoffmann-La Roche

Curated by ChEMBL
LigandPNGBDBM50197089(CHEMBL3889982)
Affinity DataIC50:  1.10E+4nMAssay Description:Inhibition of CYP2C9 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2D6(Homo sapiens (Human))
F. Hoffmann-La Roche

Curated by ChEMBL
LigandPNGBDBM50197089(CHEMBL3889982)
Affinity DataIC50:  3.80E+4nMAssay Description:Inhibition of CYP2D6 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed