BDBM50247812 CHEMBL3742114

SMILES CCOC(=O)C1=C(CN2CCOCC2)NC(=NC1c1ccc(F)cc1Br)c1nccs1

InChI Key InChIKey=SQGRDKSRFFUBBU-UHFFFAOYSA-N

Data  8 IC50  25 EC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 33 hits for monomerid = 50247812   

TargetCapsid protein(HBV)
Sunshine Lake Pharma

Curated by ChEMBL
LigandPNGBDBM50247812(CHEMBL3742114)
Affinity DataEC50:  34nMAssay Description:Inhibition of entecavir-resistant wild type hepatitis B virus capsid assembly in human Huh7 cells assessed as reduction in secreted DNA levels measur...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/15/2020
Entry Details Article
PubMed
TargetCapsid protein(HBV)
Sunshine Lake Pharma

Curated by ChEMBL
LigandPNGBDBM50247812(CHEMBL3742114)
Affinity DataEC50:  19nMAssay Description:Inhibition of reverse transcriptase L180M/M204V double mutant expressing telbivudine-resistant hepatitis B virus capsid assembly in human Huh7 cells ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/15/2020
Entry Details Article
PubMed
TargetCapsid protein(HBV)
Sunshine Lake Pharma

Curated by ChEMBL
LigandPNGBDBM50247812(CHEMBL3742114)
Affinity DataEC50:  10nMAssay Description:Inhibition of reverse transcriptase M204I mutant expressing telbivudine-resistant hepatitis B virus capsid assembly in human Huh7 cells assessed as r...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/15/2020
Entry Details Article
PubMed
TargetCapsid protein(HBV)
Sunshine Lake Pharma

Curated by ChEMBL
LigandPNGBDBM50247812(CHEMBL3742114)
Affinity DataEC50:  33nMAssay Description:Inhibition of reverse transcriptase L180M/M204V double mutant expressing telbivudine-resistant hepatitis B virus capsid assembly in human Huh7 cells ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/15/2020
Entry Details Article
PubMed
TargetCapsid protein(HBV)
Sunshine Lake Pharma

Curated by ChEMBL
LigandPNGBDBM50247812(CHEMBL3742114)
Affinity DataEC50:  92nMAssay Description:Inhibition of reverse transcriptase M204I mutant expressing telbivudine-resistant hepatitis B virus capsid assembly in human Huh7 cells assessed as r...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/15/2020
Entry Details Article
PubMed
TargetCapsid protein(HBV)
Sunshine Lake Pharma

Curated by ChEMBL
LigandPNGBDBM50247812(CHEMBL3742114)
Affinity DataEC50:  15nMAssay Description:Inhibition of reverse transcriptase M204I/V173L double mutant expressing lamivudine-resistant hepatitis B virus capsid assembly in human Huh7 cells a...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/15/2020
Entry Details Article
PubMed
TargetCapsid protein(HBV)
Sunshine Lake Pharma

Curated by ChEMBL
LigandPNGBDBM50247812(CHEMBL3742114)
Affinity DataEC50:  11nMAssay Description:Inhibition of reverse transcriptase M204I mutant expressing lamivudine-resistant hepatitis B virus capsid assembly in human Huh7 cells assessed as re...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/15/2020
Entry Details Article
PubMed
TargetCapsid protein(HBV)
Sunshine Lake Pharma

Curated by ChEMBL
LigandPNGBDBM50247812(CHEMBL3742114)
Affinity DataEC50:  19nMAssay Description:Inhibition of reverse transcriptase M204I/VI73L double mutant expressing lamivudine-resistant hepatitis B virus capsid assembly in human Huh7 cells a...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/15/2020
Entry Details Article
PubMed
TargetCapsid protein(HBV)
Sunshine Lake Pharma

Curated by ChEMBL
LigandPNGBDBM50247812(CHEMBL3742114)
Affinity DataEC50:  34nMAssay Description:Inhibition of lamivudine-resistant wild type hepatitis B virus capsid assembly in human Huh7 cells assessed as reduction in intracellular DNA levels ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/15/2020
Entry Details Article
PubMed
TargetCytochrome P450 3A4(Human)
Sunshine Lake Pharma

Curated by ChEMBL
LigandPNGBDBM50247812(CHEMBL3742114)
Affinity DataIC50: 2.00E+4nMAssay Description:Inhibition of CYP3A4 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/15/2020
Entry Details Article
PubMed
TargetCapsid protein(HBV)
Sunshine Lake Pharma

Curated by ChEMBL
LigandPNGBDBM50247812(CHEMBL3742114)
Affinity DataEC50:  39nMAssay Description:Inhibition of entecavir-resistant wild type hepatitis B virus capsid assembly in human Huh7 cells assessed as reduction in intracellular DNA levels m...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/15/2020
Entry Details Article
PubMed
TargetCapsid protein(HBV)
Sunshine Lake Pharma

Curated by ChEMBL
LigandPNGBDBM50247812(CHEMBL3742114)
Affinity DataEC50:  20nMAssay Description:Inhibition of telbivudine-resistant wild type hepatitis B virus capsid assembly in human Huh7 cells assessed as reduction in secreted DNA levels meas...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/15/2020
Entry Details Article
PubMed
TargetCapsid protein(HBV)
Sunshine Lake Pharma

Curated by ChEMBL
LigandPNGBDBM50247812(CHEMBL3742114)
Affinity DataEC50:  12nMAssay Description:Inhibition of telbivudine-resistant wild type hepatitis B virus capsid assembly in human Huh7 cells assessed as reduction in intracellular DNA levels...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/15/2020
Entry Details Article
PubMed
TargetCapsid protein(HBV)
Sunshine Lake Pharma

Curated by ChEMBL
LigandPNGBDBM50247812(CHEMBL3742114)
Affinity DataEC50:  20nMAssay Description:Inhibition of lamivudine-resistant wild type hepatitis B virus capsid assembly in human Huh7 cells assessed as reduction in secreted DNA levels measu...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/15/2020
Entry Details Article
PubMed
TargetCapsid protein(HBV)
Sunshine Lake Pharma

Curated by ChEMBL
LigandPNGBDBM50247812(CHEMBL3742114)
Affinity DataEC50:  92nMAssay Description:Inhibition of reverse transcriptase M204I mutant expressing lamivudine-resistant hepatitis B virus capsid assembly in human Huh7 cells assessed as re...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/15/2020
Entry Details Article
PubMed
TargetCapsid protein(HBV)
Sunshine Lake Pharma

Curated by ChEMBL
LigandPNGBDBM50247812(CHEMBL3742114)
Affinity DataEC50:  700nMAssay Description:Inhibition of capsid in HBV infected in human HepAD38 cells assessed as reduction in tetracycline-induced cccDNA formation by measuring reduction in ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/16/2020
Entry Details Article
PubMed
TargetPotassium voltage-gated channel subfamily H member 2(Human)
Shandong University

Curated by ChEMBL
LigandPNGBDBM50247812(CHEMBL3742114)
Affinity DataIC50: 1.34E+3nMAssay Description:Inhibition of hERGMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/14/2024
Entry Details
PubMed
TargetPotassium voltage-gated channel subfamily H member 2(Human)
Shandong University

Curated by ChEMBL
LigandPNGBDBM50247812(CHEMBL3742114)
Affinity DataIC50: 860nMAssay Description:Inhibition of human ERG expressed in HEK293 cells at -80 mV holding potential by manual-patch-clamp electrophysiology assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/3/2019
Entry Details Article
PubMed
TargetCytochrome P450 2E1(Human)
Sunshine Lake Pharma

Curated by ChEMBL
LigandPNGBDBM50247812(CHEMBL3742114)
Affinity DataIC50: 2.00E+4nMAssay Description:Inhibition of CYP2E1 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/15/2020
Entry Details Article
PubMed
TargetCytochrome P450 2D6(Human)
Sunshine Lake Pharma

Curated by ChEMBL
LigandPNGBDBM50247812(CHEMBL3742114)
Affinity DataIC50: 2.00E+4nMAssay Description:Inhibition of CYP2D6 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/15/2020
Entry Details Article
PubMed
TargetCytochrome P450 2C19(Human)
Sunshine Lake Pharma

Curated by ChEMBL
LigandPNGBDBM50247812(CHEMBL3742114)
Affinity DataIC50: 2.00E+4nMAssay Description:Inhibition of CYP2C19 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/15/2020
Entry Details Article
PubMed
TargetCytochrome P450 2C9(Human)
Sunshine Lake Pharma

Curated by ChEMBL
LigandPNGBDBM50247812(CHEMBL3742114)
Affinity DataIC50: 2.00E+4nMAssay Description:Inhibition of CYP2C9 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/15/2020
Entry Details Article
PubMed
TargetCytochrome P450 1A2(Human)
Sunshine Lake Pharma

Curated by ChEMBL
LigandPNGBDBM50247812(CHEMBL3742114)
Affinity DataIC50: 2.00E+4nMAssay Description:Inhibition of CYP1A2 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/15/2020
Entry Details Article
PubMed
TargetCapsid protein(HBV)
Sunshine Lake Pharma

Curated by ChEMBL
LigandPNGBDBM50247812(CHEMBL3742114)
Affinity DataEC50:  34nMAssay Description:Inhibition of wild type hepatitis B virus capsid assembly in human HepG2.215 cells assessed as reduction in intracellular DNA levels measured on day ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/15/2020
Entry Details Article
PubMed
TargetCapsid protein(HBV)
Sunshine Lake Pharma

Curated by ChEMBL
LigandPNGBDBM50247812(CHEMBL3742114)
Affinity DataEC50:  31nMAssay Description:Inhibition of wild type hepatitis B virus capsid assembly in human HepG2.215 cells assessed as reduction in intracellular DNA levels measured on day ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/15/2020
Entry Details Article
PubMed
TargetCapsid protein(HBV)
Sunshine Lake Pharma

Curated by ChEMBL
LigandPNGBDBM50247812(CHEMBL3742114)
Affinity DataEC50:  38nMAssay Description:Inhibition of wild type hepatitis B virus capsid assembly in human HepG2.215 cells assessed as reduction in intracellular DNA levels measured on day ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/15/2020
Entry Details Article
PubMed
TargetCapsid protein(HBV)
Sunshine Lake Pharma

Curated by ChEMBL
LigandPNGBDBM50247812(CHEMBL3742114)
Affinity DataEC50:  17nMAssay Description:Inhibition of wild type hepatitis B virus capsid assembly in human HepG2.215 cells assessed as reduction in intracellular DNA levels measured on day ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/15/2020
Entry Details Article
PubMed
TargetCapsid protein(HBV)
Sunshine Lake Pharma

Curated by ChEMBL
LigandPNGBDBM50247812(CHEMBL3742114)
Affinity DataEC50:  14nMAssay Description:Inhibition of wild type hepatitis B virus capsid assembly in human HepG2.215 cells assessed as reduction in intracellular DNA levels measured on day ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/15/2020
Entry Details Article
PubMed
TargetCapsid protein(HBV)
Sunshine Lake Pharma

Curated by ChEMBL
LigandPNGBDBM50247812(CHEMBL3742114)
Affinity DataEC50:  87nMAssay Description:Inhibition of reverse transcriptase M204I/S202G double mutant expressing entecavir-resistant hepatitis B virus capsid assembly in human Huh7 cells as...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/15/2020
Entry Details Article
PubMed
TargetCapsid protein(HBV)
Sunshine Lake Pharma

Curated by ChEMBL
LigandPNGBDBM50247812(CHEMBL3742114)
Affinity DataEC50:  18nMAssay Description:Inhibition of reverse transcriptase M204I/S202G/M250V triple mutant expressing entecavir-resistant hepatitis B virus capsid assembly in human Huh7 ce...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/15/2020
Entry Details Article
PubMed
TargetCapsid protein(HBV)
Sunshine Lake Pharma

Curated by ChEMBL
LigandPNGBDBM50247812(CHEMBL3742114)
Affinity DataEC50:  46nMAssay Description:Inhibition of reverse transcriptase M204I/S202G/M250V triple mutant expressing entecavir-resistant hepatitis B virus capsid assembly in human Huh7 ce...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/15/2020
Entry Details Article
PubMed
TargetCapsid protein(HBV)
Sunshine Lake Pharma

Curated by ChEMBL
LigandPNGBDBM50247812(CHEMBL3742114)
Affinity DataEC50:  1nMAssay Description:Inhibition of hepatitis B virus capsid assembly infected in human HepG2.215 cells assessed as reduction in viral DNA replication measured on day 7 by...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/15/2020
Entry Details Article
PubMed
TargetCapsid protein(HBV)
Sunshine Lake Pharma

Curated by ChEMBL
LigandPNGBDBM50247812(CHEMBL3742114)
Affinity DataEC50:  12nMAssay Description:Inhibition of reverse transcriptase M204I/S202G double mutant expressing entecavir-resistant hepatitis B virus capsid assembly in human Huh7 cells as...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/15/2020
Entry Details Article
PubMed