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SMILES: [O-][N+](=O)c1ccccc1-c1nc2ccccc2c(=O)o1

InChI Key: InChIKey=DWCFIKGNUJGZBZ-UHFFFAOYSA-N

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 7 hits for monomerid = 33703   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Chymotrypsinogen A


(Bos taurus (bovine))
BDBM33703
PNG
(2-(2-Nitro-phenyl)-benzo[d][1,3]oxazin-4-one | 2-(...)
Show SMILES [O-][N+](=O)c1ccccc1-c1nc2ccccc2c(=O)o1
Show InChI InChI=1S/C14H8N2O4/c17-14-9-5-1-3-7-11(9)15-13(20-14)10-6-2-4-8-12(10)16(18)19/h1-8H
PDB
MMDB

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Article
PubMed
2.24E+4n/an/an/an/an/an/an/an/a



University of Karachi



Assay Description
The change in optical density per minute (OD/min) was obtained by incorporating various concentrations of compounds over a range of substrate (SPpNA)...


Bioorg Chem 70: 210-221 (2017)


Article DOI: 10.1016/j.bioorg.2017.01.001
BindingDB Entry DOI: 10.7270/Q2QR4W00
More data for this
Ligand-Target Pair
Coagulation factor XII


(Homo sapiens (Human))
BDBM33703
PNG
(2-(2-Nitro-phenyl)-benzo[d][1,3]oxazin-4-one | 2-(...)
Show SMILES [O-][N+](=O)c1ccccc1-c1nc2ccccc2c(=O)o1
Show InChI InChI=1S/C14H8N2O4/c17-14-9-5-1-3-7-11(9)15-13(20-14)10-6-2-4-8-12(10)16(18)19/h1-8H
PDB

UniProtKB/SwissProt

antibodypedia
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PCBioAssay
n/an/a 1.28E+4n/an/an/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Scott L. Diamond, University of Pennsy...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q21G0JQS
More data for this
Ligand-Target Pair
Chymotrypsinogen A


(Bos taurus (bovine))
BDBM33703
PNG
(2-(2-Nitro-phenyl)-benzo[d][1,3]oxazin-4-one | 2-(...)
Show SMILES [O-][N+](=O)c1ccccc1-c1nc2ccccc2c(=O)o1
Show InChI InChI=1S/C14H8N2O4/c17-14-9-5-1-3-7-11(9)15-13(20-14)10-6-2-4-8-12(10)16(18)19/h1-8H
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n/an/a 2.38E+4n/an/an/an/a7.6n/a



University of Karachi



Assay 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 ...


Bioorg Chem 70: 210-221 (2017)


Article DOI: 10.1016/j.bioorg.2017.01.001
BindingDB Entry DOI: 10.7270/Q2QR4W00
More data for this
Ligand-Target Pair
Complement C1r subcomponent


(Homo sapiens (Human))
BDBM33703
PNG
(2-(2-Nitro-phenyl)-benzo[d][1,3]oxazin-4-one | 2-(...)
Show SMILES [O-][N+](=O)c1ccccc1-c1nc2ccccc2c(=O)o1
Show InChI InChI=1S/C14H8N2O4/c17-14-9-5-1-3-7-11(9)15-13(20-14)10-6-2-4-8-12(10)16(18)19/h1-8H
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n/an/a 1.50E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for inhibitory activity against C1r serine protease in assay 1


Bioorg Med Chem Lett 6: 679-682 (1996)


Article DOI: 10.1016/0960-894X(96)00094-7
BindingDB Entry DOI: 10.7270/Q2P84BVF
More data for this
Ligand-Target Pair
Complement C1r subcomponent


(Homo sapiens (Human))
BDBM33703
PNG
(2-(2-Nitro-phenyl)-benzo[d][1,3]oxazin-4-one | 2-(...)
Show SMILES [O-][N+](=O)c1ccccc1-c1nc2ccccc2c(=O)o1
Show InChI InChI=1S/C14H8N2O4/c17-14-9-5-1-3-7-11(9)15-13(20-14)10-6-2-4-8-12(10)16(18)19/h1-8H
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Article
n/an/a 3.63E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of C1r serine protease


Bioorg Med Chem Lett 6: 679-682 (1996)


Article DOI: 10.1016/0960-894X(96)00094-7
BindingDB Entry DOI: 10.7270/Q2P84BVF
More data for this
Ligand-Target Pair
Complement C1r subcomponent


(Homo sapiens (Human))
BDBM33703
PNG
(2-(2-Nitro-phenyl)-benzo[d][1,3]oxazin-4-one | 2-(...)
Show SMILES [O-][N+](=O)c1ccccc1-c1nc2ccccc2c(=O)o1
Show InChI InChI=1S/C14H8N2O4/c17-14-9-5-1-3-7-11(9)15-13(20-14)10-6-2-4-8-12(10)16(18)19/h1-8H
PDB
MMDB

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Article
n/an/a>6.25E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for inhibitory activity against C1r serine protease .


Bioorg Med Chem Lett 6: 679-682 (1996)


Article DOI: 10.1016/0960-894X(96)00094-7
BindingDB Entry DOI: 10.7270/Q2P84BVF
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM33703
PNG
(2-(2-Nitro-phenyl)-benzo[d][1,3]oxazin-4-one | 2-(...)
Show SMILES [O-][N+](=O)c1ccccc1-c1nc2ccccc2c(=O)o1
Show InChI InChI=1S/C14H8N2O4/c17-14-9-5-1-3-7-11(9)15-13(20-14)10-6-2-4-8-12(10)16(18)19/h1-8H
PDB

UniProtKB/SwissProt

antibodypedia
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PC cid
PC sid
UniChem

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PCBioAssay
n/an/a 116n/an/an/an/a7.523



PCMD

Curated by PubChem BioAssay


Assay Description
HTS was performed using 217,350 compounds of the MLSCN library individually plated into 10ul 1536 compound plates at a concentration of 2.5 mM each, ...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2K64GDN
More data for this
Ligand-Target Pair