BDBM222117 2-(2-Thienyl)-4H-3,1-benzoxazin-4-one (4)::US11584714, Compound 10

SMILES O=c1oc(nc2ccccc12)-c1cccs1

InChI Key InChIKey=VGHJEBXWEGFRGH-UHFFFAOYSA-N

Data  5 KI  1 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 8 hits for monomerid = 222117   

TargetMannan-binding lectin serine protease 2(Human)
Omeros

US Patent
LigandPNGBDBM222117(2-(2-Thienyl)-4H-3,1-benzoxazin-4-one (4) | US1158...)
Affinity DataKi: <1.00E+3nMAssay Description:The assay was run at room temperature in an assay buffer containing 20 mM Hepes, pH 7.4, 140 mM NaCl and 0.1% Tween 20. Assay parameters were adjuste...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/9/2023
Entry Details
US Patent

TargetChymotrypsinogen A(Bovine)
University of Karachi

LigandPNGBDBM222117(2-(2-Thienyl)-4H-3,1-benzoxazin-4-one (4) | US1158...)
Affinity DataKi:  9.10E+3nMAssay Description:The change in optical density per minute (OD/min) was obtained by incorporating various concentrations of compounds over a range of substrate (SPpNA)...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/13/2017
Entry Details Article
PubMed
TargetMannan-binding lectin serine protease 2(Human)
Omeros

US Patent
LigandPNGBDBM222117(2-(2-Thienyl)-4H-3,1-benzoxazin-4-one (4) | US1158...)
Affinity DataKi: <1.00E+4nMAssay Description:The MASP-2 assay protocol was carried out as follows. Test compounds were serially diluted in DMSO and then 100 nL of each dilution was transferred t...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/26/2025
Entry Details
US Patent

TargetChymotrypsinogen A(Bovine)
University of Karachi

LigandPNGBDBM222117(2-(2-Thienyl)-4H-3,1-benzoxazin-4-one (4) | US1158...)
Affinity DataIC50: 1.21E+4nMpH: 7.6Assay Description:The α-chymotrypsin inhibition activity was evaluated in 50 mM Tris-HCl buffer pH 7.6 with 10 mM CaCl2. α-Chymotrypsin (bovine pancreas) at ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/13/2017
Entry Details Article
PubMed
TargetAdenosine receptor A1(Rat)
North-West University

Curated by ChEMBL
LigandPNGBDBM222117(2-(2-Thienyl)-4H-3,1-benzoxazin-4-one (4) | US1158...)
Affinity DataKi:  3.24E+4nMAssay Description:Displacement of [3H]DPCPX from Sprague-Dawley rat whole brain membrane A1AR by scintillation counting analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/13/2021
Entry Details Article
PubMed
TargetProthrombin(Human)
Omeros

US Patent
LigandPNGBDBM222117(2-(2-Thienyl)-4H-3,1-benzoxazin-4-one (4) | US1158...)
Affinity DataKi:  6.25E+4nMAssay Description:The thrombin assay utilizes a fluorogenic peptide substrate (Boc-VPR-AMC (R&D Systems) and was run at room temperature in an assay buffer containing ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/26/2025
Entry Details
US Patent

TargetProthrombin(Human)
Omeros

US Patent
LigandPNGBDBM222117(2-(2-Thienyl)-4H-3,1-benzoxazin-4-one (4) | US1158...)
Affinity DataKi:  6.25E+4nMAssay Description:The thrombin assay utilizes a fluorogenic peptide substrate (Boc-VPR-AMC (R&D Systems) and was run at room temperature in an assay buffer containing ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/9/2023
Entry Details
US Patent

TargetAdenosine receptor A2a(Rat)
North-West University

Curated by ChEMBL
LigandPNGBDBM222117(2-(2-Thienyl)-4H-3,1-benzoxazin-4-one (4) | US1158...)
Affinity DataKi: >1.00E+5nMAssay Description:Displacement of [3H]NECA from Sprague-Dawley rat striatal membrane A2A adenosine receptor by scintillation counting analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/13/2021
Entry Details Article
PubMed