BDBM50533086 CHEMBL4554361

SMILES O=C(N1CCn2nc(cc2C1)-c1ccccn1)c1ccccc1

InChI Key InChIKey=AHBYNFWXQKNQIW-UHFFFAOYSA-N

Data  16 IC50

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 16 hits for monomerid = 50533086   

TargetCytochrome P450 2A6(Human)
Sumitomo Dainippon Pharma

Curated by ChEMBL

LigandBDBM50533086(CHEMBL4554361)Copy SMILESCopy InChI

Affinity DataIC50: 5.00E+4nMAssay Description:Inhibition of CYP2A6 in human liver microsomes using coumarin as substrate after 10 mins in presence of NADPH by LC/MS/MS analysisMore data for this Ligand-Target Pair

Target InfoPDBKEGG
UniProtKB/SwissProt
GoogleScholar

Ligand InfoPC cidPC sidSimilars

In Depth
Date in BDB:
2/27/2021
Entry Details Article
Copy Entry DOIPubMed
Copy Rxn URL

TargetCytochrome P450 2C9(Human)
Sumitomo Dainippon Pharma

Curated by ChEMBL

LigandBDBM50533086(CHEMBL4554361)Copy SMILESCopy InChI

Affinity DataIC50: 5.00E+4nMAssay Description:Inhibition of CYP2C9 in human liver microsomes using diclofenac as substrate after 10 mins in presence of NADPH by LC/MS/MS analysisMore data for this Ligand-Target Pair

Target InfoPDBKEGG
UniProtKB/SwissProt
GoogleScholar

Ligand InfoPC cidPC sidSimilars

In Depth
Date in BDB:
2/27/2021
Entry Details Article
Copy Entry DOIPubMed
Copy Rxn URL

TargetCytochrome P450 2C19(Human)
Sumitomo Dainippon Pharma

Curated by ChEMBL

LigandBDBM50533086(CHEMBL4554361)Copy SMILESCopy InChI

Affinity DataIC50: 5.00E+4nMAssay Description:Inhibition of CYP2C19 in human liver microsomes using (S)-mephenytoin as substrate after 10 mins in presence of NADPH by LC/MS/MS analysisMore data for this Ligand-Target Pair

Target InfoPDBKEGG
UniProtKB/SwissProt
GoogleScholar

Ligand InfoPC cidPC sidSimilars

In Depth
Date in BDB:
2/27/2021
Entry Details Article
Copy Entry DOIPubMed
Copy Rxn URL

TargetCytochrome P450 3A4(Human)
Sumitomo Dainippon Pharma

Curated by ChEMBL

LigandBDBM50533086(CHEMBL4554361)Copy SMILESCopy InChI

Affinity DataIC50: 5.00E+4nMAssay Description:Inhibition of CYP3A4 in human liver microsomes using midazolam as substrate after 10 mins in presence of NADPH by LC/MS/MS analysisMore data for this Ligand-Target Pair

Target InfoPDBKEGG
UniProtKB/SwissProtUniProtKB/TrEMBL
GoogleScholar

Ligand InfoPC cidPC sidSimilars

In Depth
Date in BDB:
2/27/2021
Entry Details Article
Copy Entry DOIPubMed
Copy Rxn URL

TargetCytochrome P450 1A2(Human)
Sumitomo Dainippon Pharma

Curated by ChEMBL

LigandBDBM50533086(CHEMBL4554361)Copy SMILESCopy InChI

Affinity DataIC50: 5.00E+4nMAssay Description:Inhibition of CYP1A2 in human liver microsomes using phenacetin as substrate after 10 mins in presence of NADPH by LC/MS/MS analysisMore data for this Ligand-Target Pair

Target InfoPDBKEGG
UniProtKB/SwissProt
GoogleScholar

Ligand InfoPC cidPC sidSimilars

In Depth
Date in BDB:
2/27/2021
Entry Details Article
Copy Entry DOIPubMed
Copy Rxn URL

TargetCytochrome P450 1A2(Human)
Sumitomo Dainippon Pharma

Curated by ChEMBL

LigandBDBM50533086(CHEMBL4554361)Copy SMILESCopy InChI

Affinity DataIC50: 5.00E+4nMAssay Description:Inhibition of CYP1A2 in human liver microsomes using phenacetin as substrate after 10 mins in presence of NADPH by LC/MS/MS analysisMore data for this Ligand-Target Pair

Target InfoPDBKEGG
UniProtKB/SwissProt
GoogleScholar

Ligand InfoPC cidPC sidSimilars

In Depth
Date in BDB:
2/27/2021
Entry Details Article
Copy Entry DOIPubMed
Copy Rxn URL

TargetCytochrome P450 2A6(Human)
Sumitomo Dainippon Pharma

Curated by ChEMBL

LigandBDBM50533086(CHEMBL4554361)Copy SMILESCopy InChI

Affinity DataIC50: 5.00E+4nMAssay Description:Inhibition of CYP2A6 in human liver microsomes using coumarin as substrate after 10 mins in presence of NADPH by LC/MS/MS analysisMore data for this Ligand-Target Pair

Target InfoPDBKEGG
UniProtKB/SwissProt
GoogleScholar

Ligand InfoPC cidPC sidSimilars

In Depth
Date in BDB:
2/27/2021
Entry Details Article
Copy Entry DOIPubMed
Copy Rxn URL

TargetCytochrome P450 2C9(Human)
Sumitomo Dainippon Pharma

Curated by ChEMBL

LigandBDBM50533086(CHEMBL4554361)Copy SMILESCopy InChI

Affinity DataIC50: 5.00E+4nMAssay Description:Inhibition of CYP2C9 in human liver microsomes using diclofenac as substrate after 10 mins in presence of NADPH by LC/MS/MS analysisMore data for this Ligand-Target Pair

Target InfoPDBKEGG
UniProtKB/SwissProt
GoogleScholar

Ligand InfoPC cidPC sidSimilars

In Depth
Date in BDB:
2/27/2021
Entry Details Article
Copy Entry DOIPubMed
Copy Rxn URL

TargetCytochrome P450 2C19(Human)
Sumitomo Dainippon Pharma

Curated by ChEMBL

LigandBDBM50533086(CHEMBL4554361)Copy SMILESCopy InChI

Affinity DataIC50: 5.00E+4nMAssay Description:Inhibition of CYP2C19 in human liver microsomes using (S)-mephenytoin as substrate after 10 mins in presence of NADPH by LC/MS/MS analysisMore data for this Ligand-Target Pair

Target InfoPDBKEGG
UniProtKB/SwissProt
GoogleScholar

Ligand InfoPC cidPC sidSimilars

In Depth
Date in BDB:
2/27/2021
Entry Details Article
Copy Entry DOIPubMed
Copy Rxn URL

TargetCytochrome P450 3A4(Human)
Sumitomo Dainippon Pharma

Curated by ChEMBL

LigandBDBM50533086(CHEMBL4554361)Copy SMILESCopy InChI

Affinity DataIC50: 5.00E+4nMAssay Description:Inhibition of CYP3A4 in human liver microsomes using midazolam as substrate after 10 mins in presence of NADPH by LC/MS/MS analysisMore data for this Ligand-Target Pair

Target InfoPDBKEGG
UniProtKB/SwissProtUniProtKB/TrEMBL
GoogleScholar

Ligand InfoPC cidPC sidSimilars

In Depth
Date in BDB:
2/27/2021
Entry Details Article
Copy Entry DOIPubMed
Copy Rxn URL

TargetMetabotropic glutamate receptor 5(Human)
Sumitomo Dainippon Pharma

Curated by ChEMBL

LigandBDBM50533086(CHEMBL4554361)Copy SMILESCopy InChI

Affinity DataIC50: 235nMAssay Description:Negative allosteric modulation of human recombinant mGluR5 expressed in HEK293 cells assessed as L-glutamate-induced intracellular calcium mobilizati...More data for this Ligand-Target Pair

Target InfoPDBKEGG
UniProtKB/SwissProt
GoogleScholar

Ligand InfoPC cidPC sidSimilars

In Depth
Date in BDB:
2/27/2021
Entry Details Article
Copy Entry DOIPubMed
Copy Rxn URL

TargetCytochrome P450 2C8(Human)
Sumitomo Dainippon Pharma

Curated by ChEMBL

LigandBDBM50533086(CHEMBL4554361)Copy SMILESCopy InChI

Affinity DataIC50: 5.00E+4nMAssay Description:Inhibition of CYP2C8 in human liver microsomes using amodiaquin as substrate after 10 mins in presence of NADPH by LC/MS/MS analysisMore data for this Ligand-Target Pair

Target InfoPDBKEGG
UniProtKB/SwissProt
GoogleScholar

Ligand InfoPC cidPC sidSimilars

In Depth
Date in BDB:
2/27/2021
Entry Details Article
Copy Entry DOIPubMed
Copy Rxn URL

TargetCytochrome P450 2D6(Human)
Sumitomo Dainippon Pharma

Curated by ChEMBL

LigandBDBM50533086(CHEMBL4554361)Copy SMILESCopy InChI

Affinity DataIC50: 5.00E+4nMAssay Description:Inhibition of CYP2D6 in human liver microsomes using bufuralol as substrate after 10 mins in presence of NADPH by LC/MS/MS analysisMore data for this Ligand-Target Pair

Target InfoPDB
UniProtKB/SwissProtUniProtKB/TrEMBL
GoogleScholar

Ligand InfoPC cidPC sidSimilars

In Depth
Date in BDB:
2/27/2021
Entry Details Article
Copy Entry DOIPubMed
Copy Rxn URL

TargetMetabotropic glutamate receptor 5(Human)
Sumitomo Dainippon Pharma

Curated by ChEMBL

LigandBDBM50533086(CHEMBL4554361)Copy SMILESCopy InChI

Affinity DataIC50: 235nMAssay Description:Negative allosteric modulation of human recombinant mGluR5 expressed in HEK293 cells assessed as L-glutamate-induced intracellular calcium mobilizati...More data for this Ligand-Target Pair

Target InfoPDBKEGG
UniProtKB/SwissProt
GoogleScholar

Ligand InfoPC cidPC sidSimilars

In Depth
Date in BDB:
2/27/2021
Entry Details Article
Copy Entry DOIPubMed
Copy Rxn URL

TargetCytochrome P450 2C8(Human)
Sumitomo Dainippon Pharma

Curated by ChEMBL

LigandBDBM50533086(CHEMBL4554361)Copy SMILESCopy InChI

Affinity DataIC50: 5.00E+4nMAssay Description:Inhibition of CYP2C8 in human liver microsomes using amodiaquin as substrate after 10 mins in presence of NADPH by LC/MS/MS analysisMore data for this Ligand-Target Pair

Target InfoPDBKEGG
UniProtKB/SwissProt
GoogleScholar

Ligand InfoPC cidPC sidSimilars

In Depth
Date in BDB:
2/27/2021
Entry Details Article
Copy Entry DOIPubMed
Copy Rxn URL

TargetCytochrome P450 2D6(Human)
Sumitomo Dainippon Pharma

Curated by ChEMBL

LigandBDBM50533086(CHEMBL4554361)Copy SMILESCopy InChI

Affinity DataIC50: 5.00E+4nMAssay Description:Inhibition of CYP2D6 in human liver microsomes using bufuralol as substrate after 10 mins in presence of NADPH by LC/MS/MS analysisMore data for this Ligand-Target Pair

Target InfoPDB
UniProtKB/SwissProtUniProtKB/TrEMBL
GoogleScholar

Ligand InfoPC cidPC sidSimilars

In Depth
Date in BDB:
2/27/2021
Entry Details Article
Copy Entry DOIPubMed
Copy Rxn URL