BDBM50197093 CHEMBL3959018

SMILES Clc1ccc2nc(N3CCCCC3)c(-c3nnn[nH]3)c(-c3ccccc3)c2c1

InChI Key InChIKey=FXEKONNOBJEKPB-UHFFFAOYSA-N

Data  4 KI  5 IC50

PDB links: 2 PDB IDs match this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 9 hits for monomerid = 50197093   

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

Curated by ChEMBL
LigandPNGBDBM50197093(CHEMBL3959018)
Affinity DataKi:  11nMAssay 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
LigandPNGBDBM50197093(CHEMBL3959018)
Affinity DataKi:  86nMAssay 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
TargetFatty acid-binding protein, adipocyte(Homo sapiens (Human))
F. Hoffmann-La Roche

Curated by ChEMBL
LigandPNGBDBM50197093(CHEMBL3959018)
Affinity DataKi:  87nMAssay Description:Displacement of 1,8-ANS from FABP4 (unknown origin) after 3 mins by fluorescence assayMore data for this Ligand-Target Pair
TargetFatty acid-binding protein, heart(Homo sapiens (Human))
F. Hoffmann-La Roche

Curated by ChEMBL
LigandPNGBDBM50197093(CHEMBL3959018)
Affinity DataKi:  2.30E+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
TargetFatty acid-binding protein, adipocyte(Homo sapiens (Human))
F. Hoffmann-La Roche

Curated by ChEMBL
LigandPNGBDBM50197093(CHEMBL3959018)
Affinity DataIC50:  710nMAssay Description:Displacement of 1,8-ANS from FABP4 (unknown origin) after 3 mins by fluorescence assayMore data for this Ligand-Target Pair
TargetCytochrome P450 2C9(Homo sapiens (Human))
F. Hoffmann-La Roche

Curated by ChEMBL
LigandPNGBDBM50197093(CHEMBL3959018)
Affinity DataIC50:  1.30E+4nMAssay Description:Inhibition of CYP2C9 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 3A4(Homo sapiens (Human))
F. Hoffmann-La Roche

Curated by ChEMBL
LigandPNGBDBM50197093(CHEMBL3959018)
Affinity DataIC50: >5.00E+4nMAssay Description:Inhibition of CYP3A4 (unknown origin)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
LigandPNGBDBM50197093(CHEMBL3959018)
Affinity DataIC50:  4.60E+3nMAssay Description:Inhibition of FABP3 (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
LigandPNGBDBM50197093(CHEMBL3959018)
Affinity DataIC50:  3.30E+4nMAssay Description:Inhibition of CYP2D6 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed