BDBM50150052 CHEMBL3771105

SMILES CN1CC(=O)OB(OC(=O)C1)c1ccc(Cn2c(C)nc3c(c(Cl)c(Cl)cc23)[N+]([O-])=O)cc1

InChI Key InChIKey=FUJZJWQLQGXDEK-UHFFFAOYSA-N

Data  8 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 8 hits for monomerid = 50150052   

TargetdCTP pyrophosphatase 1(Human)
Karolinska Institutet

Curated by ChEMBL
LigandPNGBDBM50150052(CHEMBL3771105)
Affinity DataIC50: 47nMAssay Description:Inhibition of human recombinant full length dCTPase expressed in Escherichia coli BL21(DE3)pLysS using dCTP as substrate after 1 hr by HTS-adapted Ma...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/25/2017
Entry Details Article
PubMed
TargetCytochrome P450 3A4(Human)
Karolinska Institutet

Curated by ChEMBL
LigandPNGBDBM50150052(CHEMBL3771105)
Affinity DataIC50: 2.81E+4nMAssay Description:Inhibition of CYP3A4 (unknown origin) using midazolam as substrate preincubated for 10 mins followed by NADPH addition by LC/MS/MS analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/25/2017
Entry Details Article
PubMed
TargetCytochrome P450 3A4(Human)
Karolinska Institutet

Curated by ChEMBL
LigandPNGBDBM50150052(CHEMBL3771105)
Affinity DataIC50: 2.19E+4nMAssay Description:Inhibition of CYP3A4 (unknown origin) using testostrone as substrate preincubated for 10 mins followed by NADPH addition by LC/MS/MS analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/25/2017
Entry Details Article
PubMed
TargetCytochrome P450 2C9(Human)
Karolinska Institutet

Curated by ChEMBL
LigandPNGBDBM50150052(CHEMBL3771105)
Affinity DataIC50: 1.72E+3nMAssay Description:Inhibition of CYP2C9 (unknown origin) using diclofenac as substrate preincubated for 10 mins followed by NADPH addition by LC/MS/MS analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/25/2017
Entry Details Article
PubMed
TargetCytochrome P450 2C19(Human)
Karolinska Institutet

Curated by ChEMBL
LigandPNGBDBM50150052(CHEMBL3771105)
Affinity DataIC50: 2.93E+3nMAssay Description:Inhibition of CYP2C19 (unknown origin) using mephenytoin as substrate preincubated for 10 mins followed by NADPH addition by LC/MS/MS analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/25/2017
Entry Details Article
PubMed
TargetCytochrome P450 2D6(Human)
Karolinska Institutet

Curated by ChEMBL
LigandPNGBDBM50150052(CHEMBL3771105)
Affinity DataIC50: 1.68E+4nMAssay Description:Inhibition of CYP2D6 (unknown origin) using bufuralol as substrate preincubated for 10 mins followed by NADPH addition by LC/MS/MS analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/25/2017
Entry Details Article
PubMed
TargetCytochrome P450 1A2(Human)
Karolinska Institutet

Curated by ChEMBL
LigandPNGBDBM50150052(CHEMBL3771105)
Affinity DataIC50: 3.77E+5nMAssay Description:Inhibition of CYP1A2 (unknown origin) using phenacetin as substrate preincubated for 10 mins followed by NADPH addition by LC/MS/MS analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/25/2017
Entry Details Article
PubMed
TargetdCTP pyrophosphatase 1(Human)
Karolinska Institutet

Curated by ChEMBL
LigandPNGBDBM50150052(CHEMBL3771105)
Affinity DataIC50: 47nMAssay Description:Inhibition of human dCTPase 1More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/9/2020
Entry Details Article
PubMed