BDBM50506243 CHEMBL4520045

SMILES CN1CC(C1)C#CC#Cc1cc2CN(CC[C@](C)(C(=O)NO)S(C)(=O)=O)C(=O)n2c1

InChI Key InChIKey=ZGSSRMCYVIDZBN-UHFFFAOYSA-N

Data  3 IC50

  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 = 50506243   

TargetCytochrome P450 2C9(Human)
Idorsia Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50506243(CHEMBL4520045)
Affinity DataIC50: 5.00E+4nMAssay Description:Inhibition of CYP2C9 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/19/2021
Entry Details Article
PubMed
TargetCytochrome P450 3A4(Human)
Idorsia Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50506243(CHEMBL4520045)
Affinity DataIC50: 5.00E+4nMAssay Description:Inhibition of CYP3A4 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/19/2021
Entry Details Article
PubMed
TargetCytochrome P450 2D6(Human)
Idorsia Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50506243(CHEMBL4520045)
Affinity DataIC50: 5.00E+4nMAssay Description:Inhibition of CYP2D6 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/19/2021
Entry Details Article
PubMed