BDBM50548670 CHEMBL4741924

SMILES CNC(=O)c1cn(C[C@H](F)CCc2ccc(NC(=O)Cc3cc(OC4CC(F)(F)C4)cc(C)n3)nn2)nn1

InChI Key InChIKey=GEHZIZWHNLQFAS-UHFFFAOYSA-N

Data  9 IC50  1 Kd

  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 10 hits for monomerid = 50548670   

TargetTyrosine-protein kinase JAK3(Human)
The University of Texas Md Anderson Cancer Center

Curated by ChEMBL
LigandPNGBDBM50548670(CHEMBL4741924)
Affinity DataKd: >3.00E+4nMAssay Description:Binding affinity to wild-type human partial length JAK3 JH1 catalytic domain (I781 to S1124 residues) expressed in mammalian expression system by Kin...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/22/2022
Entry Details Article
PubMed
TargetCytochrome P450 3A4(Human)
The University of Texas Md Anderson Cancer Center

Curated by ChEMBL
LigandPNGBDBM50548670(CHEMBL4741924)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of CYP3A4 in human liver microsomes using testosterone as substrate measured after 5 mins in presence of NADPH by LC-MS/MS analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/22/2022
Entry Details Article
PubMed
TargetCytochrome P450 2D6(Human)
The University of Texas Md Anderson Cancer Center

Curated by ChEMBL
LigandPNGBDBM50548670(CHEMBL4741924)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of CYP2D6 in human liver microsomes using bufuralol as substrate measured after 10 mins in presence of NADPH by LC-MS/MS analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/22/2022
Entry Details Article
PubMed
TargetCytochrome P450 2C9(Human)
The University of Texas Md Anderson Cancer Center

Curated by ChEMBL
LigandPNGBDBM50548670(CHEMBL4741924)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of CYP2C9 in human liver microsomes using diclofenac as substrate measured after 10 mins in presence of NADPH by LC-MS/MS analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/22/2022
Entry Details Article
PubMed
TargetCytochrome P450 2C19(Human)
The University of Texas Md Anderson Cancer Center

Curated by ChEMBL
LigandPNGBDBM50548670(CHEMBL4741924)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of CYP2C19 in human liver microsomes using S-Mephenytoin as substrate measured after 45 mins in presence of NADPH by LC-MS/MS analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/22/2022
Entry Details Article
PubMed
TargetCytochrome P450 1A2(Human)
The University of Texas Md Anderson Cancer Center

Curated by ChEMBL
LigandPNGBDBM50548670(CHEMBL4741924)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of CYP1A2 in human liver microsomes using phenacetin as substrate measured after 10 mins in presence of NADPH by LC-MS/MS analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/22/2022
Entry Details Article
PubMed
TargetGlutaminase kidney isoform, mitochondrial(Human)
The University of Texas Md Anderson Cancer Center

Curated by ChEMBL
LigandPNGBDBM50548670(CHEMBL4741924)
Affinity DataIC50: 31nMAssay Description:Inhibition of recombinant human GLS1 using glutamine as substrate preincubated for 10 mins followed by substrate addition and measured after 20 mins ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/22/2022
Entry Details Article
PubMed
TargetPotassium voltage-gated channel subfamily H member 2(Human)
The University of Texas Md Anderson Cancer Center

Curated by ChEMBL
LigandPNGBDBM50548670(CHEMBL4741924)
Affinity DataIC50: 3.00E+4nMAssay Description:Inhibition of human ERG stably expressed in CHO cells at -80 mV by automated Qpatch electrophysiological assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/22/2022
Entry Details Article
PubMed
TargetGlutaminase kidney isoform, mitochondrial(Human)
The University of Texas Md Anderson Cancer Center

Curated by ChEMBL
LigandPNGBDBM50548670(CHEMBL4741924)
Affinity DataIC50: 16nMAssay Description:Inhibition of GLS1 in human A549 cells assessed as reduction in conversion of glutamine to glutamate measured after 24 hrsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/22/2022
Entry Details Article
PubMed
TargetGlutaminase liver isoform, mitochondrial(Human)
The University of Texas Md Anderson Cancer Center

Curated by ChEMBL
LigandPNGBDBM50548670(CHEMBL4741924)
Affinity DataIC50: 5.00E+4nMAssay Description:Inhibition of recombinant human GLS2 using glutamine as substrate preincubated for 10 mins followed by substrate addition and measured for 20 mins by...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/22/2022
Entry Details Article
PubMed