BDBM23712 1-[(2-methylphenyl)carbonyl]-4-nitro-1H-pyrazole::N-Benzoylpyrazole deriv., 20
SMILES: Cc1ccccc1C(=O)n1cc(cn1)[N+]([O-])=O
InChI Key: InChIKey=ORXYMBYYSLQOLK-UHFFFAOYSA-N
Target/Host (Institution) | Ligand | Target/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 | pH | Temp °C |
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Leukocyte elastase (Homo sapiens (Human)) | BDBM23712 (1-[(2-methylphenyl)carbonyl]-4-nitro-1H-pyrazole |...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | Article PubMed | 65 | -9.80 | n/a | n/a | n/a | n/a | n/a | 7.5 | 25 |
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)) | BDBM23712 (1-[(2-methylphenyl)carbonyl]-4-nitro-1H-pyrazole |...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 1.21E+4 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM23712 (1-[(2-methylphenyl)carbonyl]-4-nitro-1H-pyrazole |...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM23712 (1-[(2-methylphenyl)carbonyl]-4-nitro-1H-pyrazole |...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM23712 (1-[(2-methylphenyl)carbonyl]-4-nitro-1H-pyrazole |...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM23712 (1-[(2-methylphenyl)carbonyl]-4-nitro-1H-pyrazole |...) | PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 240 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM23712 (1-[(2-methylphenyl)carbonyl]-4-nitro-1H-pyrazole |...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 1.30E+3 | n/a | n/a | n/a | n/a | n/a | n/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 |