BDBM50082559 (S)-7-(4-Methoxy-benzenesulfonyl)-5,5-dimethyl-4,4-dioxo-4lambda*6*-[1,4,7]oxathiazonane-6-carboxylic acid hydroxyamide::CHEMBL421932

SMILES: COc1ccc(cc1)S(=O)(=O)N1CCOCCS(=O)(=O)C(C)(C)[C@@H]1C(=O)NO

InChI Key: InChIKey=ZHLANTZRDCBWFM-AWEZNQCLSA-N

Data: 4 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50082559   

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-7 (MMP7) (Homo sapiens (Human))	BDBM50082559 ((S)-7-(4-Methoxy-benzenesulfonyl)-5,5-dimethyl-4,4...) Show SMILES COc1ccc(cc1)S(=O)(=O)N1CCOCCS(=O)(=O)C(C)(C)[C@@H]1C(=O)NO Show InChI InChI=1S/C16H24N2O8S2/c1-16(2)14(15(19)17-20)18(8-9-26-10-11-27(16,21)22)28(23,24)13-6-4-12(25-3)5-7-13/h4-7,14,20H,8-11H2,1-3H3,(H,17,19)/t14-/m0/s1	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	183	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 matrilysin (matrix metalloprotease-7).				J Med Chem 42: 4547-62 (1999) BindingDB Entry DOI: 10.7270/Q2D79C32
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50082559 ((S)-7-(4-Methoxy-benzenesulfonyl)-5,5-dimethyl-4,4...) Show SMILES COc1ccc(cc1)S(=O)(=O)N1CCOCCS(=O)(=O)C(C)(C)[C@@H]1C(=O)NO Show InChI InChI=1S/C16H24N2O8S2/c1-16(2)14(15(19)17-20)18(8-9-26-10-11-27(16,21)22)28(23,24)13-6-4-12(25-3)5-7-13/h4-7,14,20H,8-11H2,1-3H3,(H,17,19)/t14-/m0/s1	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	3.30	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 collagenase-3 (matrix metalloprotease-13).				J Med Chem 42: 4547-62 (1999) BindingDB Entry DOI: 10.7270/Q2D79C32
					More data for this Ligand-Target Pair
Interstitial collagenase (Homo sapiens (Human))	BDBM50082559 ((S)-7-(4-Methoxy-benzenesulfonyl)-5,5-dimethyl-4,4...) Show SMILES COc1ccc(cc1)S(=O)(=O)N1CCOCCS(=O)(=O)C(C)(C)[C@@H]1C(=O)NO Show InChI InChI=1S/C16H24N2O8S2/c1-16(2)14(15(19)17-20)18(8-9-26-10-11-27(16,21)22)28(23,24)13-6-4-12(25-3)5-7-13/h4-7,14,20H,8-11H2,1-3H3,(H,17,19)/t14-/m0/s1	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	1.90	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 truncated collagenase-1 (matrix metalloprotease-1).				J Med Chem 42: 4547-62 (1999) BindingDB Entry DOI: 10.7270/Q2D79C32
					More data for this Ligand-Target Pair
Stromelysin-1 (Homo sapiens (Human))	BDBM50082559 ((S)-7-(4-Methoxy-benzenesulfonyl)-5,5-dimethyl-4,4...) Show SMILES COc1ccc(cc1)S(=O)(=O)N1CCOCCS(=O)(=O)C(C)(C)[C@@H]1C(=O)NO Show InChI InChI=1S/C16H24N2O8S2/c1-16(2)14(15(19)17-20)18(8-9-26-10-11-27(16,21)22)28(23,24)13-6-4-12(25-3)5-7-13/h4-7,14,20H,8-11H2,1-3H3,(H,17,19)/t14-/m0/s1	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	45	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.				J Med Chem 42: 4547-62 (1999) BindingDB Entry DOI: 10.7270/Q2D79C32
					More data for this Ligand-Target Pair