BDBM50098923 (3R,9aS)-2-(4-Methoxy-benzenesulfonyl)-5-oxo-octahydro-pyrrolo[1,2-a][1,4]diazepine-3-carboxylic acid hydroxyamide::CHEMBL6572
SMILES: COc1ccc(cc1)S(=O)(=O)N1C[C@@H]2CCCN2C(=O)C[C@@H]1C(=O)NO
InChI Key: InChIKey=QPEZTCMCOIDQRV-SMDDNHRTSA-N
Data: 4 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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Stromelysin-1 (Homo sapiens (Human)) | BDBM50098923 ((3R,9aS)-2-(4-Methoxy-benzenesulfonyl)-5-oxo-octah...) | 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 | 3.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Procter and Gamble Pharmaceuticals Curated by ChEMBL | Assay Description Inhibition of Matrix metalloprotease-3 | Bioorg Med Chem Lett 11: 1009-13 (2001) BindingDB Entry DOI: 10.7270/Q2X34Z04 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
72 kDa type IV collagenase (Homo sapiens (Human)) | BDBM50098923 ((3R,9aS)-2-(4-Methoxy-benzenesulfonyl)-5-oxo-octah...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 5.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Procter and Gamble Pharmaceuticals Curated by ChEMBL | Assay Description Inhibition of human Matrix metalloprotease-2 | Bioorg Med Chem Lett 11: 1009-13 (2001) BindingDB Entry DOI: 10.7270/Q2X34Z04 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Collagenase 3 (Rattus norvegicus) | BDBM50098923 ((3R,9aS)-2-(4-Methoxy-benzenesulfonyl)-5-oxo-octah...) | PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Procter and Gamble Pharmaceuticals Curated by ChEMBL | Assay Description Inhibition of Matrix metalloprotease-13 | Bioorg Med Chem Lett 11: 1009-13 (2001) BindingDB Entry DOI: 10.7270/Q2X34Z04 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Interstitial collagenase (Homo sapiens (Human)) | BDBM50098923 ((3R,9aS)-2-(4-Methoxy-benzenesulfonyl)-5-oxo-octah...) | 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 | 1.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Procter and Gamble Pharmaceuticals Curated by ChEMBL | Assay Description Inhibition of human Matrix metalloprotease-1 | Bioorg Med Chem Lett 11: 1009-13 (2001) BindingDB Entry DOI: 10.7270/Q2X34Z04 | |||||||||||
More data for this Ligand-Target Pair |