BDBM50270668 CHEMBL4126548

SMILES CC(C)COC(=O)[C@H](Cn1ccnc1)NC(=O)c1cc(on1)-c1ccccc1F

InChI Key InChIKey=FQXMELDQECUWJO-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 = 50270668   

TargetCytochrome P450 3A4(Human)
Shenyang Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50270668(CHEMBL4126548)
Affinity DataIC50: 8.38E+3nMAssay Description:Inhibition of CYP3A4 in human liver microsomes using midazolam as substrate preincubated for 10 mins followed by NADPH addition measured after 10 min...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/20/2020
Entry Details Article
PubMed
TargetCytochrome P450 2C19(Human)
Shenyang Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50270668(CHEMBL4126548)
Affinity DataIC50: 4.41E+4nMAssay Description:Inhibition of CYP2C19 in human liver microsomes using S-mephenytoin as substrate preincubated for 10 mins followed by NADPH addition measured after 1...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/20/2020
Entry Details Article
PubMed
TargetCytochrome P450 1A2(Human)
Shenyang Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50270668(CHEMBL4126548)
Affinity DataIC50: 5.00E+4nMAssay Description:Inhibition of CYP1A2 in human liver microsomes using phenacetin as substrate preincubated for 10 mins followed by NADPH addition measured after 10 mi...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/20/2020
Entry Details Article
PubMed
TargetCytochrome P450 2D6(Human)
Shenyang Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50270668(CHEMBL4126548)
Affinity DataIC50: 5.00E+4nMAssay Description:Inhibition of CYP2D6 in human liver microsomes using dextromethorphan as substrate preincubated for 10 mins followed by NADPH addition measured after...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/20/2020
Entry Details Article
PubMed
TargetCytochrome P450 2C9(Human)
Shenyang Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50270668(CHEMBL4126548)
Affinity DataIC50: 5.00E+4nMAssay Description:Inhibition of CYP2C9 in human liver microsomes using diclofenac as substrate preincubated for 10 mins followed by NADPH addition measured after 10 mi...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/20/2020
Entry Details Article
PubMed