BDBM50358747 CHEMBL325917

SMILES c1cc2c(cc[nH]2)cc1Br

InChI Key InChIKey=VXWVFZFZYXOBTA-UHFFFAOYSA-N

Data  2 IC50  1 Kd

PDB links: 2 PDB IDs match this monomer.

  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 3 hits for monomerid = 50358747   

TargetCytochrome P450 2A6(Human)
University of Eastern Finland

Curated by ChEMBL
LigandPNGBDBM50358747(CHEMBL325917)
Affinity DataIC50: 6.40E+3nMAssay Description:Inhibition of CYP2A6 in human liver microsomes assessed as inhibition of coumarin 7-hydroxylation after 10 mins by plate readerMore data for this Ligand-Target Pair
In Depth
Date in BDB:
7/21/2012
Entry Details Article
PubMed
TargetCytochrome P450 2A6(Human)
University of Eastern Finland

Curated by ChEMBL
LigandPNGBDBM50358747(CHEMBL325917)
Affinity DataIC50: 7.40E+3nMAssay Description:Inhibition of human CYP2A6 in baculovirus-infected insect cell system using coumarin 7 as substrate preincubated for 10 mins by fluorescence assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/16/2016
Entry Details Article
PubMed
TargetNuclear receptor subfamily 4 group A member 2(Human)
Goethe University Frankfurt

Curated by ChEMBL
LigandPNGBDBM50358747(CHEMBL325917)
Affinity DataKd:  5.00E+3nMAssay Description:Binding affinity towards Nurr1 ligand binding domain (unknown origin) measured by microscale thermophoresis (MST) methodMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/23/2023
Entry Details
PubMed