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BDBM23698 4-chloro-1-[(4-fluorophenyl)carbonyl]-1H-pyrazole::N-Benzoylpyrazole deriv., 1

SMILES: Fc1ccc(cc1)C(=O)n1cc(Cl)cn1

InChI Key: InChIKey=FTDJTWUEACFTRX-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
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 7 hits for monomerid = 23698   
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))
BDBM23698
PNG
(4-chloro-1-[(4-fluorophenyl)carbonyl]-1H-pyrazole ...)
Show SMILES Fc1ccc(cc1)C(=O)n1cc(Cl)cn1
Show InChI InChI=1S/C10H6ClFN2O/c11-8-5-13-14(6-8)10(15)7-1-3-9(12)4-2-7/h1-6H
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PubMed
6 -11.2n/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
Prothrombin


(Homo sapiens (Human))
BDBM23698
PNG
(4-chloro-1-[(4-fluorophenyl)carbonyl]-1H-pyrazole ...)
Show SMILES Fc1ccc(cc1)C(=O)n1cc(Cl)cn1
Show InChI InChI=1S/C10H6ClFN2O/c11-8-5-13-14(6-8)10(15)7-1-3-9(12)4-2-7/h1-6H
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n/an/a 6.90E+3n/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))
BDBM23698
PNG
(4-chloro-1-[(4-fluorophenyl)carbonyl]-1H-pyrazole ...)
Show SMILES Fc1ccc(cc1)C(=O)n1cc(Cl)cn1
Show InChI InChI=1S/C10H6ClFN2O/c11-8-5-13-14(6-8)10(15)7-1-3-9(12)4-2-7/h1-6H
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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))
BDBM23698
PNG
(4-chloro-1-[(4-fluorophenyl)carbonyl]-1H-pyrazole ...)
Show SMILES Fc1ccc(cc1)C(=O)n1cc(Cl)cn1
Show InChI InChI=1S/C10H6ClFN2O/c11-8-5-13-14(6-8)10(15)7-1-3-9(12)4-2-7/h1-6H
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n/an/a 6.60E+3n/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))
BDBM23698
PNG
(4-chloro-1-[(4-fluorophenyl)carbonyl]-1H-pyrazole ...)
Show SMILES Fc1ccc(cc1)C(=O)n1cc(Cl)cn1
Show InChI InChI=1S/C10H6ClFN2O/c11-8-5-13-14(6-8)10(15)7-1-3-9(12)4-2-7/h1-6H
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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))
BDBM23698
PNG
(4-chloro-1-[(4-fluorophenyl)carbonyl]-1H-pyrazole ...)
Show SMILES Fc1ccc(cc1)C(=O)n1cc(Cl)cn1
Show InChI InChI=1S/C10H6ClFN2O/c11-8-5-13-14(6-8)10(15)7-1-3-9(12)4-2-7/h1-6H
PDB

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PubMed
n/an/a 40n/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))
BDBM23698
PNG
(4-chloro-1-[(4-fluorophenyl)carbonyl]-1H-pyrazole ...)
Show SMILES Fc1ccc(cc1)C(=O)n1cc(Cl)cn1
Show InChI InChI=1S/C10H6ClFN2O/c11-8-5-13-14(6-8)10(15)7-1-3-9(12)4-2-7/h1-6H
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n/an/a 2.50E+3n/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