BDBM50535769 CHEMBL4514676

SMILES CC(C)OC(=O)[C@H](Cn1ccnc1)NC(=O)c1ccc(cc1F)-c1ccccc1

InChI Key InChIKey=AWWUYDZLEDJEGP-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:
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50535769   

TargetCytochrome P450 3A4(Human)
Shenyang Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50535769(CHEMBL4514676)
Affinity DataIC50: 43nMAssay Description:Inhibition of CYP3A4 in human liver microsomes using midazolam pre-incubated for 10 mins before NADPH addition and measured after 10 mins by LC/MS/MS...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/28/2021
Entry Details Article
PubMed
TargetCytochrome P450 2C9(Human)
Shenyang Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50535769(CHEMBL4514676)
Affinity DataIC50: 4.49E+3nMAssay Description:Inhibition of CYP2C9 in human liver microsomes using diclofenac pre-incubated for 10 mins before NADPH addition and measured after 10 mins by LC/MS/M...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/28/2021
Entry Details Article
PubMed
TargetCytochrome P450 2C19(Human)
Shenyang Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50535769(CHEMBL4514676)
Affinity DataIC50: 7.44E+3nMAssay Description:Inhibition of CYP2C19 in human liver microsomes using S-mephenytoin pre-incubated for 10 mins before NADPH addition and measured after 10 mins by LC/...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/28/2021
Entry Details Article
PubMed
TargetCytochrome P450 2D6(Human)
Shenyang Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50535769(CHEMBL4514676)
Affinity DataIC50: 1.91E+4nMAssay Description:Inhibition of CYP2D6 in human liver microsomes using dextromethorphan pre-incubated for 10 mins before NADPH addition and measured after 10 mins by L...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/28/2021
Entry Details Article
PubMed
TargetCytochrome P450 1A2(Human)
Shenyang Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50535769(CHEMBL4514676)
Affinity DataIC50: 5.00E+4nMAssay Description:Inhibition of CYP1A2 in human liver microsomes using phenacetin pre-incubated for 10 mins before NADPH addition and measured after 10 mins by LC/MS/M...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/28/2021
Entry Details Article
PubMed