BDBM50578777 CHEMBL4871292

SMILES [H][C@@]12CC[C@H](N1C(=O)O[C@@H]2c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cc(F)ccc1-c1cc(c(F)cc1OC)-c1ccc(cc1C)C(O)=O

InChI Key InChIKey=HJEBGPNPTGXZIA-UHFFFAOYSA-N

Data  4 IC50

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50578777   

LigandChemical structure of BindingDB Monomer ID 50578777BDBM50578777(CHEMBL4871292)
Affinity DataIC50: 1.00E+3nMAssay Description:Inhibition of OATP1B1 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/24/2022
Entry Details Article
PubMed
TargetCytochrome P450 2C9(Human)
Merck

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50578777BDBM50578777(CHEMBL4871292)
Affinity DataIC50: 6.00E+3nMAssay Description:Inhibition of CYP2C9 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/24/2022
Entry Details Article
PubMed
LigandChemical structure of BindingDB Monomer ID 50578777BDBM50578777(CHEMBL4871292)
Affinity DataIC50: 1.40E+4nMAssay Description:Inhibition of Nav1.5 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/24/2022
Entry Details Article
PubMed
LigandChemical structure of BindingDB Monomer ID 50578777BDBM50578777(CHEMBL4871292)
Affinity DataIC50: 1.60E+4nMAssay Description:Inhibition of Cav1.2 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/24/2022
Entry Details Article
PubMed