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BDBM23711 1-benzoyl-3-nitro-1H-pyrazole::N-Benzoylpyrazole deriv., 19

SMILES: [O-][N+](=O)c1ccn(n1)C(=O)c1ccccc1

InChI Key: InChIKey=MIWUBRDWBKJULS-UHFFFAOYSA-N

Data: 1 KI  4 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 7 hits for monomerid = 23711   
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
Leukocyte elastase


(Homo sapiens (Human))
BDBM23711
PNG
(1-benzoyl-3-nitro-1H-pyrazole | N-Benzoylpyrazole ...)
Show SMILES [O-][N+](=O)c1ccn(n1)C(=O)c1ccccc1
Show InChI InChI=1S/C10H7N3O3/c14-10(8-4-2-1-3-5-8)12-7-6-9(11-12)13(15)16/h1-7H
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PubMed
46 -10.0n/an/an/an/an/a7.525



Montana State University



Assay Description
HTS was performed in black flat-bottom 96-well microtiter plates. The reaction was initiated by addition of elastase substrate to the reaction buffer...


J Med Chem 50: 4928-38 (2007)


Article DOI: 10.1021/jm070600+
BindingDB Entry DOI: 10.7270/Q2ST7N5S
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM23711
PNG
(1-benzoyl-3-nitro-1H-pyrazole | N-Benzoylpyrazole ...)
Show SMILES [O-][N+](=O)c1ccn(n1)C(=O)c1ccccc1
Show InChI InChI=1S/C10H7N3O3/c14-10(8-4-2-1-3-5-8)12-7-6-9(11-12)13(15)16/h1-7H
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n/an/a 1.10E+4n/an/an/an/an/an/a



Montana State University



Assay Description
Thrombin activity was monitored at excitation and emission wavelengths of 355 and 460 nm, respectively. For all compounds tested, the concentration o...


J Med Chem 50: 4928-38 (2007)


Article DOI: 10.1021/jm070600+
BindingDB Entry DOI: 10.7270/Q2ST7N5S
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))
BDBM23711
PNG
(1-benzoyl-3-nitro-1H-pyrazole | N-Benzoylpyrazole ...)
Show SMILES [O-][N+](=O)c1ccn(n1)C(=O)c1ccccc1
Show InChI InChI=1S/C10H7N3O3/c14-10(8-4-2-1-3-5-8)12-7-6-9(11-12)13(15)16/h1-7H
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n/an/an/an/an/an/an/an/an/a



Montana State University



Assay Description
Cathepsin D assays were monitored with a Fluoroskan Ascent FL microtiter plate reader at excitation and emission wavelengths of 340 and 390 nm, respe...


J Med Chem 50: 4928-38 (2007)


Article DOI: 10.1021/jm070600+
BindingDB Entry DOI: 10.7270/Q2ST7N5S
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM23711
PNG
(1-benzoyl-3-nitro-1H-pyrazole | N-Benzoylpyrazole ...)
Show SMILES [O-][N+](=O)c1ccn(n1)C(=O)c1ccccc1
Show InChI InChI=1S/C10H7N3O3/c14-10(8-4-2-1-3-5-8)12-7-6-9(11-12)13(15)16/h1-7H
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n/an/a 1.88E+4n/an/an/an/an/an/a



Montana State University



Assay Description
Kallikrein activity was monitored at excitation and emission wavelengths of 355 and 460 nm, respectively. For all compounds tested, the concentration...


J Med Chem 50: 4928-38 (2007)


Article DOI: 10.1021/jm070600+
BindingDB Entry DOI: 10.7270/Q2ST7N5S
More data for this
Ligand-Target Pair
Aminopeptidase N


(Sus scrofa (Pig))
BDBM23711
PNG
(1-benzoyl-3-nitro-1H-pyrazole | N-Benzoylpyrazole ...)
Show SMILES [O-][N+](=O)c1ccn(n1)C(=O)c1ccccc1
Show InChI InChI=1S/C10H7N3O3/c14-10(8-4-2-1-3-5-8)12-7-6-9(11-12)13(15)16/h1-7H
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n/an/an/an/an/an/an/an/an/a



Montana State University



Assay Description
Reactions for aminopeptidase M activity were monitored at 405 nm using a SpectraMax Plus microplate reader. For all compounds tested, the concentrati...


J Med Chem 50: 4928-38 (2007)


Article DOI: 10.1021/jm070600+
BindingDB Entry DOI: 10.7270/Q2ST7N5S
More data for this
Ligand-Target Pair
Chymotrypsin


(Homo sapiens (Human))
BDBM23711
PNG
(1-benzoyl-3-nitro-1H-pyrazole | N-Benzoylpyrazole ...)
Show SMILES [O-][N+](=O)c1ccn(n1)C(=O)c1ccccc1
Show InChI InChI=1S/C10H7N3O3/c14-10(8-4-2-1-3-5-8)12-7-6-9(11-12)13(15)16/h1-7H
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n/an/a 7.00E+3n/an/an/an/an/an/a



Montana State University



Assay Description
Chymotrypsin activity was monitored at excitation and emission wavelengths of 355 and 460 nm, respectively. For all compounds tested, the concentrati...


J Med Chem 50: 4928-38 (2007)


Article DOI: 10.1021/jm070600+
BindingDB Entry DOI: 10.7270/Q2ST7N5S
More data for this
Ligand-Target Pair
Urokinase-type plasminogen activator


(Homo sapiens (Human))
BDBM23711
PNG
(1-benzoyl-3-nitro-1H-pyrazole | N-Benzoylpyrazole ...)
Show SMILES [O-][N+](=O)c1ccn(n1)C(=O)c1ccccc1
Show InChI InChI=1S/C10H7N3O3/c14-10(8-4-2-1-3-5-8)12-7-6-9(11-12)13(15)16/h1-7H
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n/an/a 4.79E+4n/an/an/an/an/an/a



Montana State University



Assay Description
Urokinase activity was monitored at excitation and emission wavelengths of 355 and 460 nm, respectively. For all compounds tested, the concentration ...


J Med Chem 50: 4928-38 (2007)


Article DOI: 10.1021/jm070600+
BindingDB Entry DOI: 10.7270/Q2ST7N5S
More data for this
Ligand-Target Pair