BDBM50262573 CHEMBL4089114

SMILES Fc1ccc(NC(=O)c2cc(Oc3cncc(F)c3)cn3ncnc23)nc1

InChI Key InChIKey=UQYDLTVGUNGXDW-UHFFFAOYSA-N

Data  12 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 12 hits for monomerid = 50262573   

TargetCytochrome P450 1A2(Human)
Vanderbilt University

Curated by ChEMBL
LigandPNGBDBM50262573(CHEMBL4089114)
Affinity DataIC50: 1.51E+4nMAssay Description:Inhibition of CYP1A2 in human liver microsomes using phenacetin as substrate pretreated for 15 mins followed by NADPH addition measured after 8 mins ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
1/25/2020
Entry Details Article
PubMed
TargetSodium-dependent dopamine transporter(Human)
Vanderbilt University

Curated by ChEMBL
LigandPNGBDBM50262573(CHEMBL4089114)
Affinity DataIC50: 730nMAssay Description:Inhibition of full-length recombinant human DAT expressed in CHOK1 cells assessed as reduction in [3H]dopamine uptake pretreated for 20 mins followed...More data for this Ligand-Target Pair
In Depth
Date in BDB:
1/25/2020
Entry Details Article
PubMed
TargetCytochrome P450 2D6(Human)
Vanderbilt University

Curated by ChEMBL
LigandPNGBDBM50262573(CHEMBL4089114)
Affinity DataIC50: 3.00E+4nMAssay Description:Inhibition of CYP2D6 in human liver microsomes using dextromethorphan as substrate pretreated for 15 mins followed by NADPH addition measured after 8...More data for this Ligand-Target Pair
In Depth
Date in BDB:
1/25/2020
Entry Details Article
PubMed
TargetCytochrome P450 3A4(Human)
Vanderbilt University

Curated by ChEMBL
LigandPNGBDBM50262573(CHEMBL4089114)
Affinity DataIC50: 3.00E+4nMAssay Description:Inhibition of CYP3A4 in human liver microsomes using midazolam as substrate pretreated for 15 mins followed by NADPH addition measured after 8 mins b...More data for this Ligand-Target Pair
In Depth
Date in BDB:
1/25/2020
Entry Details Article
PubMed
TargetMetabotropic glutamate receptor 5(Rat)
Vanderbilt University

Curated by ChEMBL
LigandPNGBDBM50262573(CHEMBL4089114)
Affinity DataIC50: 20nMAssay Description:Negative allosteric modulation of rat mGlu5 receptor expressed in HEK293 cells assessed as inhibition of glutamate induced-calcium mobilization prein...More data for this Ligand-Target Pair
In Depth
Date in BDB:
1/25/2020
Entry Details Article
PubMed
TargetCytochrome P450 2C9(Human)
Vanderbilt University

Curated by ChEMBL
LigandPNGBDBM50262573(CHEMBL4089114)
Affinity DataIC50: 3.00E+4nMAssay Description:Inhibition of CYP2C9 in human liver microsomes using diclofenac as substrate pretreated for 15 mins followed by NADPH addition measured after 8 mins ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
1/25/2020
Entry Details Article
PubMed
TargetMetabotropic glutamate receptor 5(Rat)
Vanderbilt University

Curated by ChEMBL
LigandPNGBDBM50262573(CHEMBL4089114)
Affinity DataIC50: 20nMAssay Description:Negative allosteric modulator activity at rat mGlu5 receptor expressed in HEK293A cells assessed as inhibition of EC80 glutamate-induced Ca2+ mobiliz...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/16/2020
Entry Details Article
PubMed
TargetCytochrome P450 3A4(Human)
Vanderbilt University

Curated by ChEMBL
LigandPNGBDBM50262573(CHEMBL4089114)
Affinity DataIC50: 3.00E+4nMAssay Description:Inhibition of CYP3A4 in human liver microsomes using midazolam as substrate in presence of NADPH by LC/MS/MS analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/16/2020
Entry Details Article
PubMed
TargetCytochrome P450 2D6(Human)
Vanderbilt University

Curated by ChEMBL
LigandPNGBDBM50262573(CHEMBL4089114)
Affinity DataIC50: 3.00E+4nMAssay Description:Inhibition of CYP2D6 in human liver microsomes using dextromethorphan as substrate in presence of NADPH by LC/MS/MS analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/16/2020
Entry Details Article
PubMed
TargetCytochrome P450 1A2(Human)
Vanderbilt University

Curated by ChEMBL
LigandPNGBDBM50262573(CHEMBL4089114)
Affinity DataIC50: 1.51E+4nMAssay Description:Inhibition of CYP1A2 in human liver microsomes using phenacetin as substrate in presence of NADPH by LC/MS/MS analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/16/2020
Entry Details Article
PubMed
TargetCytochrome P450 2C9(Human)
Vanderbilt University

Curated by ChEMBL
LigandPNGBDBM50262573(CHEMBL4089114)
Affinity DataIC50: 3.00E+4nMAssay Description:Inhibition of CYP2C9 in human liver microsomes using diclofenac as substrate in presence of NADPH by LC/MS/MS analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/16/2020
Entry Details Article
PubMed
TargetMetabotropic glutamate receptor 5(Rat)
Vanderbilt University

Curated by ChEMBL
LigandPNGBDBM50262573(CHEMBL4089114)
Affinity DataIC50: 20nMAssay Description:Negative allosteric modulation of rat mGlu5 receptor expressed in HEK293 cells assessed as inhibition of glutamate induced-calcium mobilization prein...More data for this Ligand-Target Pair
In Depth
Date in BDB:
1/25/2020
Entry Details Article
PubMed