BDBM50082533 4-(4-Methoxy-benzenesulfonyl)-[1,4]thiazepane-3-carboxylic acid hydroxyamide::CHEMBL140568

SMILES: COc1ccc(cc1)S(=O)(=O)N1CCCSCC1C(=O)NO

InChI Key: InChIKey=MRZSOAZZNSUPLS-UHFFFAOYSA-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 = 50082533   

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
Interstitial collagenase (Homo sapiens (Human))	BDBM50082533 (4-(4-Methoxy-benzenesulfonyl)-[1,4]thiazepane-3-ca...) Show SMILES COc1ccc(cc1)S(=O)(=O)N1CCCSCC1C(=O)NO Show InChI InChI=1S/C13H18N2O5S2/c1-20-10-3-5-11(6-4-10)22(18,19)15-7-2-8-21-9-12(15)13(16)14-17/h3-6,12,17H,2,7-9H2,1H3,(H,14,16)	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	64	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
Matrix metalloproteinase-7 (MMP7) (Homo sapiens (Human))	BDBM50082533 (4-(4-Methoxy-benzenesulfonyl)-[1,4]thiazepane-3-ca...) Show SMILES COc1ccc(cc1)S(=O)(=O)N1CCCSCC1C(=O)NO Show InChI InChI=1S/C13H18N2O5S2/c1-20-10-3-5-11(6-4-10)22(18,19)15-7-2-8-21-9-12(15)13(16)14-17/h3-6,12,17H,2,7-9H2,1H3,(H,14,16)	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	1.10E+3	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
Stromelysin-1 (Homo sapiens (Human))	BDBM50082533 (4-(4-Methoxy-benzenesulfonyl)-[1,4]thiazepane-3-ca...) Show SMILES COc1ccc(cc1)S(=O)(=O)N1CCCSCC1C(=O)NO Show InChI InChI=1S/C13H18N2O5S2/c1-20-10-3-5-11(6-4-10)22(18,19)15-7-2-8-21-9-12(15)13(16)14-17/h3-6,12,17H,2,7-9H2,1H3,(H,14,16)	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	4.30	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-3.				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))	BDBM50082533 (4-(4-Methoxy-benzenesulfonyl)-[1,4]thiazepane-3-ca...) Show SMILES COc1ccc(cc1)S(=O)(=O)N1CCCSCC1C(=O)NO Show InChI InChI=1S/C13H18N2O5S2/c1-20-10-3-5-11(6-4-10)22(18,19)15-7-2-8-21-9-12(15)13(16)14-17/h3-6,12,17H,2,7-9H2,1H3,(H,14,16)	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	1.90	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 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