BDBM50537220 CHEMBL4529465

SMILES CN(C)CC[C@@](c1cc(nc(c1)OC)OC)([C@H](c2cccc(c2F)OC)c3cc4cc(ccc4nc3OC)Br)O

InChI Key InChIKey=JJEGOJPMKLRSPJ-UHFFFAOYSA-N

Data  3 IC50

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 = 50537220   

TargetCytochrome P450 3A4(Human)
Auckland Cancer Society Research Centre

Curated by ChEMBL
LigandPNGBDBM50537220(CHEMBL4529465)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of CYP3A4 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/2/2021
Entry Details Article
PubMed
TargetPotassium voltage-gated channel subfamily H member 2(Human)
Auckland Cancer Society Research Centre

Curated by ChEMBL
LigandPNGBDBM50537220(CHEMBL4529465)
Affinity DataIC50: 1.30E+4nMAssay Description:Inhibition of human ERGMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/2/2021
Entry Details Article
PubMed
TargetPotassium voltage-gated channel subfamily H member 2(Human)
Auckland Cancer Society Research Centre

Curated by ChEMBL
LigandPNGBDBM50537220(CHEMBL4529465)
Affinity DataIC50: 1.30E+4nMAssay Description:Inhibition of human ERGMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/12/2021
Entry Details Article
PubMed