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BDBM23723 4-bromo-1-[(4-methoxyphenyl)carbonyl]-3,5-dimethyl-1H-pyrazole::N-Benzoylpyrazole deriv., 31::cid_714833

SMILES: COc1ccc(cc1)C(=O)n1nc(C)c(Br)c1C

InChI Key: InChIKey=NLSJGZBQMCEPIO-UHFFFAOYSA-N

Data: 1 KI  2 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 8 hits for monomerid = 23723   
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))
BDBM23723
PNG
(4-bromo-1-[(4-methoxyphenyl)carbonyl]-3,5-dimethyl...)
Show SMILES COc1ccc(cc1)C(=O)n1nc(C)c(Br)c1C
Show InChI InChI=1S/C13H13BrN2O2/c1-8-12(14)9(2)16(15-8)13(17)10-4-6-11(18-3)7-5-10/h4-7H,1-3H3
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2.45E+4 -6.29n/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))
BDBM23723
PNG
(4-bromo-1-[(4-methoxyphenyl)carbonyl]-3,5-dimethyl...)
Show SMILES COc1ccc(cc1)C(=O)n1nc(C)c(Br)c1C
Show InChI InChI=1S/C13H13BrN2O2/c1-8-12(14)9(2)16(15-8)13(17)10-4-6-11(18-3)7-5-10/h4-7H,1-3H3
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UniChem
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n/an/an/an/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
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM23723
PNG
(4-bromo-1-[(4-methoxyphenyl)carbonyl]-3,5-dimethyl...)
Show SMILES COc1ccc(cc1)C(=O)n1nc(C)c(Br)c1C
Show InChI InChI=1S/C13H13BrN2O2/c1-8-12(14)9(2)16(15-8)13(17)10-4-6-11(18-3)7-5-10/h4-7H,1-3H3
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PCBioAssay
n/an/a 2.84E+3n/an/an/an/an/an/a



Emory University

Curated by PubChem BioAssay


Assay Description
NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Nikolovska-Coleska, Univer...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q23X8539
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM23723
PNG
(4-bromo-1-[(4-methoxyphenyl)carbonyl]-3,5-dimethyl...)
Show SMILES COc1ccc(cc1)C(=O)n1nc(C)c(Br)c1C
Show InChI InChI=1S/C13H13BrN2O2/c1-8-12(14)9(2)16(15-8)13(17)10-4-6-11(18-3)7-5-10/h4-7H,1-3H3
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n/an/an/an/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))
BDBM23723
PNG
(4-bromo-1-[(4-methoxyphenyl)carbonyl]-3,5-dimethyl...)
Show SMILES COc1ccc(cc1)C(=O)n1nc(C)c(Br)c1C
Show InChI InChI=1S/C13H13BrN2O2/c1-8-12(14)9(2)16(15-8)13(17)10-4-6-11(18-3)7-5-10/h4-7H,1-3H3
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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
Cathepsin D


(Homo sapiens (Human))
BDBM23723
PNG
(4-bromo-1-[(4-methoxyphenyl)carbonyl]-3,5-dimethyl...)
Show SMILES COc1ccc(cc1)C(=O)n1nc(C)c(Br)c1C
Show InChI InChI=1S/C13H13BrN2O2/c1-8-12(14)9(2)16(15-8)13(17)10-4-6-11(18-3)7-5-10/h4-7H,1-3H3
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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
Chymotrypsin


(Homo sapiens (Human))
BDBM23723
PNG
(4-bromo-1-[(4-methoxyphenyl)carbonyl]-3,5-dimethyl...)
Show SMILES COc1ccc(cc1)C(=O)n1nc(C)c(Br)c1C
Show InChI InChI=1S/C13H13BrN2O2/c1-8-12(14)9(2)16(15-8)13(17)10-4-6-11(18-3)7-5-10/h4-7H,1-3H3
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n/an/a 7.60E+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))
BDBM23723
PNG
(4-bromo-1-[(4-methoxyphenyl)carbonyl]-3,5-dimethyl...)
Show SMILES COc1ccc(cc1)C(=O)n1nc(C)c(Br)c1C
Show InChI InChI=1S/C13H13BrN2O2/c1-8-12(14)9(2)16(15-8)13(17)10-4-6-11(18-3)7-5-10/h4-7H,1-3H3
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n/an/an/an/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