BDBM50563052 CHEMBL4748113

SMILES CC(C)Oc1ccc(Nc2nc(=O)n(CCC(O)=O)c(=O)n2Cc2ccc(C)cc2)cc1Cl

InChI Key InChIKey=KRHNDEFYSFIWAD-UHFFFAOYSA-N

Data  22 IC50

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 22 hits for monomerid = 50563052   

TargetP2X purinoceptor 3(Human)
Shionogi

Curated by ChEMBL

LigandBDBM50563052(CHEMBL4748113)Copy SMILESCopy InChI

Affinity DataIC50:  16nMAssay Description:Antagonist activity at human P2X3 receptor expressed in rat C6-BU-1 cellsMore data for this Ligand-Target Pair

Target InfoPDBReactome pathwayKEGG
UniProtKB/SwissProt
antibodypediaGoogleScholar

Ligand InfoPC cidPC sid

In DepthDetails ArticlePubMed
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TargetCytochrome P450 3A4(Human)
Shionogi

Curated by ChEMBL

LigandBDBM50563052(CHEMBL4748113)Copy SMILESCopy InChI

Affinity DataIC50: >2.00E+4nMAssay Description:Inhibition of CYP3A4 (unknown origin)More data for this Ligand-Target Pair

Target InfoPDBMMDBReactome pathwayKEGG
UniProtKB/SwissProt
B.MOADDrugBankantibodypediaGoogleScholar

Ligand InfoPC cidPC sid

In DepthDetails ArticlePubMed
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TargetP2X purinoceptor 1(Human)
Shionogi

Curated by ChEMBL

LigandBDBM50563052(CHEMBL4748113)Copy SMILESCopy InChI

Affinity DataIC50: >3.00E+4nMAssay Description:Antagonist activity at human P2X1 receptor expressed in rat C6-BU-1 cellsMore data for this Ligand-Target Pair

Target InfoPDBReactome pathwayKEGG
UniProtKB/SwissProt
antibodypediaGoogleScholar

Ligand InfoPC cidPC sid

In DepthDetails ArticlePubMed
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TargetP2X purinoceptor 2(Human)
Shionogi

Curated by ChEMBL

LigandBDBM50563052(CHEMBL4748113)Copy SMILESCopy InChI

Affinity DataIC50: >3.00E+4nMAssay Description:Antagonist activity at human P2X2 receptor expressed in rat C6-BU-1 cellsMore data for this Ligand-Target Pair

Target InfoReactome pathway
UniProtKB/SwissProt
antibodypediaGoogleScholar

Ligand InfoPC cidPC sid

In DepthDetails ArticlePubMed
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TargetP2X purinoceptor 4(Human)
Shionogi

Curated by ChEMBL

LigandBDBM50563052(CHEMBL4748113)Copy SMILESCopy InChI

Affinity DataIC50: >3.00E+4nMAssay Description:Antagonist activity at human P2X4 receptor expressed in rat C6-BU-1 cellsMore data for this Ligand-Target Pair

Target InfoReactome pathwayKEGG
UniProtKB/SwissProt
DrugBankantibodypediaGoogleScholar

Ligand InfoPC cidPC sid

In DepthDetails ArticlePubMed
Copy BDB DOI
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TargetP2X purinoceptor 7(Human)
Shionogi

Curated by ChEMBL

LigandBDBM50563052(CHEMBL4748113)Copy SMILESCopy InChI

Affinity DataIC50: >3.00E+4nMAssay Description:Antagonist activity at human P2X7 receptor expressed in HEK293 cellsMore data for this Ligand-Target Pair

Target InfoPDBReactome pathwayKEGG
UniProtKB/SwissProt
antibodypediaGoogleScholar

Ligand InfoPC cidPC sid

In DepthDetails ArticlePubMed
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TargetCytochrome P450 1A2(Human)
Shionogi

Curated by ChEMBL

LigandBDBM50563052(CHEMBL4748113)Copy SMILESCopy InChI

Affinity DataIC50: >2.00E+4nMAssay Description:Inhibition of CYP1A2 (unknown origin)More data for this Ligand-Target Pair

Target InfoPDBMMDBReactome pathwayKEGG
UniProtKB/SwissProt
B.MOADDrugBankantibodypediaGoogleScholar

Ligand InfoPC cidPC sid

In DepthDetails ArticlePubMed
Copy BDB DOI
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TargetCytochrome P450 2C9(Human)
Shionogi

Curated by ChEMBL

LigandBDBM50563052(CHEMBL4748113)Copy SMILESCopy InChI

Affinity DataIC50: >2.00E+4nMAssay Description:Inhibition of CYP2C9 (unknown origin)More data for this Ligand-Target Pair

Target InfoPDBMMDBReactome pathwayKEGG
UniProtKB/SwissProt
B.MOADDrugBankantibodypediaGoogleScholar

Ligand InfoPC cidPC sid

In DepthDetails ArticlePubMed
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TargetCytochrome P450 2C19(Human)
Shionogi

Curated by ChEMBL

LigandBDBM50563052(CHEMBL4748113)Copy SMILESCopy InChI

Affinity DataIC50: >2.00E+4nMAssay Description:Inhibition of CYP2C19 (unknown origin)More data for this Ligand-Target Pair

Target InfoPDBMMDBReactome pathwayKEGG
UniProtKB/SwissProt
B.MOADDrugBankantibodypediaGoogleScholar

Ligand InfoPC cidPC sid

In DepthDetails ArticlePubMed
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TargetCytochrome P450 2D6(Human)
Shionogi

Curated by ChEMBL

LigandBDBM50563052(CHEMBL4748113)Copy SMILESCopy InChI

Affinity DataIC50: >2.00E+4nMAssay Description:Inhibition of CYP2D6 (unknown origin)More data for this Ligand-Target Pair

Target InfoPDBReactome pathway
UniProtKB/SwissProt
GoogleScholar

Ligand InfoPC cidPC sid

In DepthDetails ArticlePubMed
Copy BDB DOI
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TargetCytochrome P450 3A4(Human)
Shionogi

Curated by ChEMBL

LigandBDBM50563052(CHEMBL4748113)Copy SMILESCopy InChI

Affinity DataIC50: >2.00E+4nMAssay Description:Inhibition of CYP3A4 (unknown origin)More data for this Ligand-Target Pair

Target InfoPDBMMDBReactome pathwayKEGG
UniProtKB/SwissProt
B.MOADDrugBankantibodypediaGoogleScholar

Ligand InfoPC cidPC sid

In DepthDetails ArticlePubMed
Copy BDB DOI
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TargetP2X purinoceptor 3(Human)
Shionogi

Curated by ChEMBL

LigandBDBM50563052(CHEMBL4748113)Copy SMILESCopy InChI

Affinity DataIC50:  16nMAssay Description:Antagonist activity at P2X3 receptor (unknown origin)More data for this Ligand-Target Pair

Target InfoPDBReactome pathwayKEGG
UniProtKB/SwissProt
antibodypediaGoogleScholar

Ligand InfoPC cidPC sid

In DepthDetails ArticlePubMed
Copy BDB DOI
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TargetP2X purinoceptor 3(Rat)
Shionogi

Curated by ChEMBL

LigandBDBM50563052(CHEMBL4748113)Copy SMILESCopy InChI

Affinity DataIC50:  6.10nMAssay Description:Antagonist activity at rat P2X3 receptorMore data for this Ligand-Target Pair

Target InfoPDBReactome pathwayKEGG
UniProtKB/SwissProt
GoogleScholar

Ligand InfoPC cidPC sid

In DepthDetails ArticlePubMed
Copy BDB DOI
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TargetP2X purinoceptor 1(Human)
Shionogi

Curated by ChEMBL

LigandBDBM50563052(CHEMBL4748113)Copy SMILESCopy InChI

Affinity DataIC50: >3.00E+4nMAssay Description:Antagonist activity at P2X1 receptor (unknown origin)More data for this Ligand-Target Pair

Target InfoPDBReactome pathwayKEGG
UniProtKB/SwissProt
antibodypediaGoogleScholar

Ligand InfoPC cidPC sid

In DepthDetails ArticlePubMed
Copy BDB DOI
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TargetP2X purinoceptor 2(Human)
Shionogi

Curated by ChEMBL

LigandBDBM50563052(CHEMBL4748113)Copy SMILESCopy InChI

Affinity DataIC50: >3.00E+4nMAssay Description:Antagonist activity at P2X2 receptor (unknown origin)More data for this Ligand-Target Pair

Target InfoReactome pathway
UniProtKB/SwissProt
antibodypediaGoogleScholar

Ligand InfoPC cidPC sid

In DepthDetails ArticlePubMed
Copy BDB DOI
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TargetP2X purinoceptor 4(Human)
Shionogi

Curated by ChEMBL

LigandBDBM50563052(CHEMBL4748113)Copy SMILESCopy InChI

Affinity DataIC50: >3.00E+4nMAssay Description:Antagonist activity at P2X4 receptor (unknown origin)More data for this Ligand-Target Pair

Target InfoReactome pathwayKEGG
UniProtKB/SwissProt
DrugBankantibodypediaGoogleScholar

Ligand InfoPC cidPC sid

In DepthDetails ArticlePubMed
Copy BDB DOI
Copy reaction URL

TargetP2X purinoceptor 7(Human)
Shionogi

Curated by ChEMBL

LigandBDBM50563052(CHEMBL4748113)Copy SMILESCopy InChI

Affinity DataIC50: >3.00E+4nMAssay Description:Antagonist activity at P2X7 receptor (unknown origin)More data for this Ligand-Target Pair

Target InfoPDBReactome pathwayKEGG
UniProtKB/SwissProt
antibodypediaGoogleScholar

Ligand InfoPC cidPC sid

In DepthDetails ArticlePubMed
Copy BDB DOI
Copy reaction URL

TargetCytochrome P450 1A2(Human)
Shionogi

Curated by ChEMBL

LigandBDBM50563052(CHEMBL4748113)Copy SMILESCopy InChI

Affinity DataIC50: >2.00E+4nMAssay Description:Inhibition of CYP1A2 (unknown origin)More data for this Ligand-Target Pair

Target InfoPDBMMDBReactome pathwayKEGG
UniProtKB/SwissProt
B.MOADDrugBankantibodypediaGoogleScholar

Ligand InfoPC cidPC sid

In DepthDetails ArticlePubMed
Copy BDB DOI
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TargetCytochrome P450 2C9(Human)
Shionogi

Curated by ChEMBL

LigandBDBM50563052(CHEMBL4748113)Copy SMILESCopy InChI

Affinity DataIC50: >2.00E+4nMAssay Description:Inhibition of CYP2C9 (unknown origin)More data for this Ligand-Target Pair

Target InfoPDBMMDBReactome pathwayKEGG
UniProtKB/SwissProt
B.MOADDrugBankantibodypediaGoogleScholar

Ligand InfoPC cidPC sid

In DepthDetails ArticlePubMed
Copy BDB DOI
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TargetCytochrome P450 2C19(Human)
Shionogi

Curated by ChEMBL

LigandBDBM50563052(CHEMBL4748113)Copy SMILESCopy InChI

Affinity DataIC50: >2.00E+4nMAssay Description:Inhibition of CYP2C19 (unknown origin)More data for this Ligand-Target Pair

Target InfoPDBMMDBReactome pathwayKEGG
UniProtKB/SwissProt
B.MOADDrugBankantibodypediaGoogleScholar

Ligand InfoPC cidPC sid

In DepthDetails ArticlePubMed
Copy BDB DOI
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TargetCytochrome P450 2D6(Human)
Shionogi

Curated by ChEMBL

LigandBDBM50563052(CHEMBL4748113)Copy SMILESCopy InChI

Affinity DataIC50: >2.00E+4nMAssay Description:Inhibition of CYP2D6 (unknown origin)More data for this Ligand-Target Pair

Target InfoPDBReactome pathway
UniProtKB/SwissProt
GoogleScholar

Ligand InfoPC cidPC sid

In DepthDetails ArticlePubMed
Copy BDB DOI
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TargetP2X purinoceptor 2/3(Human)
Shionogi

Curated by ChEMBL

LigandBDBM50563052(CHEMBL4748113)Copy SMILESCopy InChI

Affinity DataIC50:  2.93E+3nMAssay Description:Antagonist activity at human P2X2/3 receptorMore data for this Ligand-Target Pair

Target InfoPDBMMDBNCI pathwayReactome pathwayKEGG
UniProtKB/SwissProt
B.MOADDrugBankantibodypediaantibodypediaGoogleScholar

Ligand InfoPC cidPC sid

In DepthDetails ArticlePubMed
Copy BDB DOI
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