BDBM50604007 CHEMBL5178696

SMILES OCCCn1cc(CNc2nc(NC3CCN(CCP(O)(O)=O)CC3)cc(n2)N2CCOCC2)nn1

InChI Key InChIKey=YNGSKNHAZWDVCI-UHFFFAOYSA-N

Data  6 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50604007   

TargetCytochrome P450 2C9(Human)
National Cheng Kung University

Curated by ChEMBL
LigandPNGBDBM50604007(CHEMBL5178696)
Affinity DataIC50: 1.00E+5nMAssay Description:Inhibition of human liver CYP2C9 expressed in baculovirus-infected insect cell supersomes assessed as diclofenac 4-hydroxylationMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/25/2023
Entry Details
PubMed
TargetCytochrome P450 1A2(Human)
National Cheng Kung University

Curated by ChEMBL
LigandPNGBDBM50604007(CHEMBL5178696)
Affinity DataIC50: 1.00E+5nMAssay Description:Inhibition of human liver CYP1A2 expressed in baculovirus-infected insect cell supersomes assessed as phenacetin O-deethylationMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/25/2023
Entry Details
PubMed
TargetCytochrome P450 2D6(Human)
National Cheng Kung University

Curated by ChEMBL
LigandPNGBDBM50604007(CHEMBL5178696)
Affinity DataIC50: 1.00E+5nMAssay Description:Inhibition of human liver CYP2D6 expressed in baculovirus-infected insect cell supersomes assessed as dextromethorphan O-demethylationMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/25/2023
Entry Details
PubMed
TargetCytochrome P450 2C19(Human)
National Cheng Kung University

Curated by ChEMBL
LigandPNGBDBM50604007(CHEMBL5178696)
Affinity DataIC50: 1.00E+5nMAssay Description:Inhibition of human liver CYP2C19 expressed in baculovirus-infected insect cell supersomes assessed as mephenytoin 4-hydroxylationMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/25/2023
Entry Details
PubMed
TargetCytochrome P450 3A4(Human)
National Cheng Kung University

Curated by ChEMBL
LigandPNGBDBM50604007(CHEMBL5178696)
Affinity DataIC50: 1.00E+5nMAssay Description:Inhibition of human liver CYP3A4 expressed in baculovirus-infected insect cell supersomes assessed as testosterone 6-hydroxylationMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/25/2023
Entry Details
PubMed
TargetCytochrome P450 2E1(Human)
National Cheng Kung University

Curated by ChEMBL
LigandPNGBDBM50604007(CHEMBL5178696)
Affinity DataIC50: 1.00E+5nMAssay Description:Inhibition of human liver CYP2E1 expressed in baculovirus-infected insect cell supersomes assessed as chlorzoxazone 6-hydroxylationMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/25/2023
Entry Details
PubMed