BDBM50210933 CHEMBL3935883

SMILES CC(C)c1cc(C(=O)N2CCc3sccc3C2)c(O)cc1O

InChI Key InChIKey=OKBYFHBSPLJMKE-UHFFFAOYSA-N

Data  5 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 5 hits for monomerid = 50210933   

TargetCytochrome P450 2D6(Human)
Keimyung University

Curated by ChEMBL
LigandPNGBDBM50210933(CHEMBL3935883)
Affinity DataIC50: 5.00E+4nMAssay Description:Inhibition of CYP2D6 in human liver microsomes assessed as dextromethorphan O-demethylation by LC/MS/MS analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
9/10/2018
Entry Details Article
PubMed
TargetCytochrome P450 1A2(Human)
Keimyung University

Curated by ChEMBL
LigandPNGBDBM50210933(CHEMBL3935883)
Affinity DataIC50: 5.00E+4nMAssay Description:Inhibition of CYP1A2 in human liver microsomes assessed as phenacetin O-deethylation by LC/MS/MS analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
9/10/2018
Entry Details Article
PubMed
TargetHeat shock protein HSP 90-alpha(Human)
Keimyung University

Curated by ChEMBL
LigandPNGBDBM50210933(CHEMBL3935883)
Affinity DataIC50: 50nMAssay Description:Inhibition of fluorescein isothiocyanate labeled geldanamycin binding to N-terminal domain of full length human recombinant Hsp90alpha expressed in E...More data for this Ligand-Target Pair
In Depth
Date in BDB:
9/10/2018
Entry Details Article
PubMed
TargetCytochrome P450 2C19(Human)
Keimyung University

Curated by ChEMBL
LigandPNGBDBM50210933(CHEMBL3935883)
Affinity DataIC50: 5.00E+4nMAssay Description:Inhibition of CYP2C19 in human liver microsomes assessed as omepraozle hydroxylation by LC/MS/MS analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
9/10/2018
Entry Details Article
PubMed
TargetCytochrome P450 2C9(Human)
Keimyung University

Curated by ChEMBL
LigandPNGBDBM50210933(CHEMBL3935883)
Affinity DataIC50: 5.00E+4nMAssay Description:Inhibition of CYP2C9 in human liver microsomes assessed as tolbutamide 4-methylhydroxylation by LC/MS/MS analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
9/10/2018
Entry Details Article
PubMed