BDBM50084744 3-Hydroxycarbamoyl-4-(4-methoxy-benzenesulfonyl)-piperazine-1-carboxylic acid benzyl ester::CHEMBL332134
SMILES: COc1ccc(cc1)S(=O)(=O)N1CCN(CC1C(=O)NO)C(=O)OCc1ccccc1
InChI Key: InChIKey=DNGGPLKVDUPXFN-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Matrix metalloproteinase-9 (Homo sapiens (Human)) | BDBM50084744 (3-Hydroxycarbamoyl-4-(4-methoxy-benzenesulfonyl)-p...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid PDB UniChem Patents Similars | PubMed | n/a | n/a | 1.90 | n/a | n/a | n/a | n/a | n/a | n/a |
Procter and Gamble Pharmaceuticals Curated by ChEMBL | Assay Description In vitro inhibitory activity against matrix metalloprotease-9 (MMP-9) | J Med Chem 43: 369-80 (2000) BindingDB Entry DOI: 10.7270/Q2J965M3 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Stromelysin-1 (Homo sapiens (Human)) | BDBM50084744 (3-Hydroxycarbamoyl-4-(4-methoxy-benzenesulfonyl)-p...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid PDB UniChem Patents Similars | PDB PubMed | n/a | n/a | 18 | n/a | n/a | n/a | n/a | n/a | n/a |
Procter and Gamble Pharmaceuticals Curated by ChEMBL | Assay Description In vitro inhibitory activity against matrix metalloprotease-3 (MMP-3) | J Med Chem 43: 369-80 (2000) BindingDB Entry DOI: 10.7270/Q2J965M3 | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Stromelysin-1 (Homo sapiens (Human)) | BDBM50084744 (3-Hydroxycarbamoyl-4-(4-methoxy-benzenesulfonyl)-p...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid PDB UniChem Patents Similars | PDB PubMed | n/a | n/a | 18 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Missouri-St. Louis Curated by ChEMBL | Assay Description Binding affinity towards matrix metalloprotease-3 | J Med Chem 44: 3849-55 (2001) BindingDB Entry DOI: 10.7270/Q2ZK5HWX | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Matrix metalloproteinase-7 (MMP7) (Homo sapiens (Human)) | BDBM50084744 (3-Hydroxycarbamoyl-4-(4-methoxy-benzenesulfonyl)-p...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid PDB UniChem Patents Similars | PubMed | n/a | n/a | 232 | n/a | n/a | n/a | n/a | n/a | n/a |
Procter and Gamble Pharmaceuticals Curated by ChEMBL | Assay Description In vitro inhibitory activity against matrix metalloprotease-7 (MMP-7) | J Med Chem 43: 369-80 (2000) BindingDB Entry DOI: 10.7270/Q2J965M3 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Interstitial collagenase (Homo sapiens (Human)) | BDBM50084744 (3-Hydroxycarbamoyl-4-(4-methoxy-benzenesulfonyl)-p...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid PDB UniChem Patents Similars | PubMed | n/a | n/a | 24 | n/a | n/a | n/a | n/a | n/a | n/a |
Procter and Gamble Pharmaceuticals Curated by ChEMBL | Assay Description In vitro inhibitory activity against matrix metalloprotease-1 (MMP-1) | J Med Chem 43: 369-80 (2000) BindingDB Entry DOI: 10.7270/Q2J965M3 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Collagenase 3 (Homo sapiens (Human)) | BDBM50084744 (3-Hydroxycarbamoyl-4-(4-methoxy-benzenesulfonyl)-p...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid PDB UniChem Patents Similars | PubMed | n/a | n/a | 1.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Procter and Gamble Pharmaceuticals Curated by ChEMBL | Assay Description In vitro inhibitory activity against matrix metalloprotease-13 (MMP-13) | J Med Chem 43: 369-80 (2000) BindingDB Entry DOI: 10.7270/Q2J965M3 | |||||||||||
More data for this Ligand-Target Pair |