BDBM50073139 2-(4-cyanophenylcarboxamido)-1,1-dimethyl-4-phenylpentanoic anhydride::CHEMBL108540::[2,2-dimethyl-3-(N-(4-cyanobenzoyl)aminoi)-5-phenylpentanoic anhydride]
SMILES: CC(C)(C(CCc1ccccc1)NC(=O)c1ccc(cc1)C#N)C(=O)OC(=O)C(C)(C)C(CCc1ccccc1)NC(=O)c1ccc(cc1)C#N
InChI Key: InChIKey=HQNCLEFIYXURJH-UHFFFAOYSA-N
Data: 7 IC50
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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Beta-chymotrypsin (Bos taurus) | BDBM50073139 (2-(4-cyanophenylcarboxamido)-1,1-dimethyl-4-phenyl...) | PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 2.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Nippon Steel Corporation Curated by ChEMBL | Assay Description In vitro inhibition of bovine alpha chymotrypsin. | J Med Chem 42: 312-23 (1999) Article DOI: 10.1021/jm980562h BindingDB Entry DOI: 10.7270/Q2930SBF | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Trypsin (Bos taurus (bovine)) | BDBM50073139 (2-(4-cyanophenylcarboxamido)-1,1-dimethyl-4-phenyl...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 300 | n/a | n/a | n/a | n/a | n/a | n/a |
Nippon Steel Corporation Curated by ChEMBL | Assay Description Compound was tested by chromogenic assay for the inhibition of serine proteases like Bovine trypsin | J Med Chem 42: 312-23 (1999) Article DOI: 10.1021/jm980562h BindingDB Entry DOI: 10.7270/Q2930SBF | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Pancreatic elastase (Sus scrofa) | BDBM50073139 (2-(4-cyanophenylcarboxamido)-1,1-dimethyl-4-phenyl...) | MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 36 | n/a | n/a | n/a | n/a | n/a | n/a |
Nippon Steel Corporation Curated by ChEMBL | Assay Description Inhibitory activity against porcine pancreatic elastase (PPE) | Bioorg Med Chem Lett 9: 413-8 (1999) BindingDB Entry DOI: 10.7270/Q2BK1BGC | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Beta-chymotrypsin (Homo sapiens (Human)) | BDBM50073139 (2-(4-cyanophenylcarboxamido)-1,1-dimethyl-4-phenyl...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 2.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Nippon Steel Corporation Curated by ChEMBL | Assay Description Inhibitory activity against bovine pancreatic alpha-chymotrypsin (alpha-CT) | Bioorg Med Chem Lett 9: 413-8 (1999) BindingDB Entry DOI: 10.7270/Q2BK1BGC | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cathepsin G (Homo sapiens (Human)) | BDBM50073139 (2-(4-cyanophenylcarboxamido)-1,1-dimethyl-4-phenyl...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 1.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Nippon Steel Corporation Curated by ChEMBL | Assay Description Inhibitory activity against human leukocyte cathepsin G (h-CG) | Bioorg Med Chem Lett 9: 413-8 (1999) BindingDB Entry DOI: 10.7270/Q2BK1BGC | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Trypsin-1 (Homo sapiens (Human)) | BDBM50073139 (2-(4-cyanophenylcarboxamido)-1,1-dimethyl-4-phenyl...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 300 | n/a | n/a | n/a | n/a | n/a | n/a |
Nippon Steel Corporation Curated by ChEMBL | Assay Description Inhibitory activity against porcine pancreatic trypsin (TRP) | Bioorg Med Chem Lett 9: 413-8 (1999) BindingDB Entry DOI: 10.7270/Q2BK1BGC | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Chymase (Homo sapiens (Human)) | BDBM50073139 (2-(4-cyanophenylcarboxamido)-1,1-dimethyl-4-phenyl...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 270 | n/a | n/a | n/a | n/a | n/a | n/a |
Nippon Steel Corporation Curated by ChEMBL | Assay Description Inhibitory activity against human chymase (h-chymase) | Bioorg Med Chem Lett 9: 413-8 (1999) BindingDB Entry DOI: 10.7270/Q2BK1BGC | |||||||||||
More data for this Ligand-Target Pair |