BDBM23722 4-chloro-1-[(4-chlorophenyl)carbonyl]-3,5-dimethyl-1H-pyrazole::N-Benzoylpyrazole deriv., 30
SMILES: Cc1nn(C(=O)c2ccc(Cl)cc2)c(C)c1Cl
InChI Key: InChIKey=NTPKEXXMJVFTKE-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)) | BDBM23722![]() (4-chloro-1-[(4-chlorophenyl)carbonyl]-3,5-dimethyl...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet ![]() | Purchase PC cid PC sid UniChem Similars | Article PubMed | 1.07E+4 | -6.78 | 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)) | BDBM23722![]() (4-chloro-1-[(4-chlorophenyl)carbonyl]-3,5-dimethyl...) | 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 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 | |||||||||||
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Urokinase-type plasminogen activator (Homo sapiens (Human)) | BDBM23722![]() (4-chloro-1-[(4-chlorophenyl)carbonyl]-3,5-dimethyl...) | 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 | n/a | 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 | |||||||||||||
Plasma kallikrein (Homo sapiens (Human)) | BDBM23722![]() (4-chloro-1-[(4-chlorophenyl)carbonyl]-3,5-dimethyl...) | 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 | |||||||||||||
X-linked inhibitor of apoptosis protein (XIAP) (Homo sapiens (Human)) | BDBM23722![]() (4-chloro-1-[(4-chlorophenyl)carbonyl]-3,5-dimethyl...) | PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![]() | Purchase PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 1.28E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Quaid-I-Azam University Curated by ChEMBL | Assay Description Inhibition of human IAP expressed in COS7 cells using CDP-star as substrate preincubated for 5 to 10 mins followed by substrate addition measured aft... | Eur J Med Chem 156: 461-478 (2018) Article DOI: 10.1016/j.ejmech.2018.07.002 BindingDB Entry DOI: 10.7270/Q21C20K3 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cathepsin D (Homo sapiens (Human)) | BDBM23722![]() (4-chloro-1-[(4-chlorophenyl)carbonyl]-3,5-dimethyl...) | 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 | |||||||||||||
Ectonucleoside triphosphate diphosphohydrolase 1 (Rattus norvegicus) | BDBM23722![]() (4-chloro-1-[(4-chlorophenyl)carbonyl]-3,5-dimethyl...) | PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet ![]() | Purchase PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 2.24E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Quaid-I-Azam University Curated by ChEMBL | Assay Description Inhibition of rat NTPDase1 expressed in CHO cells using ATP as substrate preincubated for 10 mins followed by substrate addition measured after 10 mi... | Eur J Med Chem 156: 461-478 (2018) Article DOI: 10.1016/j.ejmech.2018.07.002 BindingDB Entry DOI: 10.7270/Q21C20K3 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Ectonucleotide pyrophosphatase/phosphodiesterase family member 3 (Homo sapiens (Human)) | BDBM23722![]() (4-chloro-1-[(4-chlorophenyl)carbonyl]-3,5-dimethyl...) | PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet ![]() | Purchase PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 630 | n/a | n/a | n/a | n/a | n/a | n/a |
Quaid-I-Azam University Curated by ChEMBL | Assay Description Inhibition of human NPP3 expressed in COS7 cells using p-nitrophenyl-5'-thymidine monophosphate as substrate preincubated for 5 to 10 mins followed b... | Eur J Med Chem 156: 461-478 (2018) Article DOI: 10.1016/j.ejmech.2018.07.002 BindingDB Entry DOI: 10.7270/Q21C20K3 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Alkaline phosphatase, tissue-nonspecific isozyme (Homo sapiens (Human)) | BDBM23722![]() (4-chloro-1-[(4-chlorophenyl)carbonyl]-3,5-dimethyl...) | KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet ![]() | Purchase PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 910 | n/a | n/a | n/a | n/a | n/a | n/a |
Quaid-I-Azam University Curated by ChEMBL | Assay Description Inhibition of human TNAP expressed in COS7 cells using CDP-star as substrate preincubated for 5 to 10 mins followed by substrate addition measured af... | Eur J Med Chem 156: 461-478 (2018) Article DOI: 10.1016/j.ejmech.2018.07.002 BindingDB Entry DOI: 10.7270/Q21C20K3 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Ectonucleotide pyrophosphatase/phosphodiesterase family member 1 (Homo sapiens (Human)) | BDBM23722![]() (4-chloro-1-[(4-chlorophenyl)carbonyl]-3,5-dimethyl...) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet ![]() | Purchase PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 5.34E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Quaid-I-Azam University Curated by ChEMBL | Assay Description Inhibition of human NPP1 expressed in COS7 cells using p-nitrophenyl-5'-thymidine monophosphate as substrate preincubated for 5 to 10 mins followed b... | Eur J Med Chem 156: 461-478 (2018) Article DOI: 10.1016/j.ejmech.2018.07.002 BindingDB Entry DOI: 10.7270/Q21C20K3 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Chymotrypsin (Homo sapiens (Human)) | BDBM23722![]() (4-chloro-1-[(4-chlorophenyl)carbonyl]-3,5-dimethyl...) | PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet ![]() | Purchase PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 4.70E+3 | 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 | |||||||||||||
Aminopeptidase N (Sus scrofa (Pig)) | BDBM23722![]() (4-chloro-1-[(4-chlorophenyl)carbonyl]-3,5-dimethyl...) | 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 |