BDBM50082540 (3S,6R)-6-Hydroxy-4-(4-methoxy-benzenesulfonyl)-2,2-dimethyl-1,1-dioxo-1lambda*6*-[1,4]thiazepane-3-carboxylic acid hydroxyamide::CHEMBL341570

SMILES: COc1ccc(cc1)S(=O)(=O)N1C[C@@H](O)CS(=O)(=O)C(C)(C)[C@@H]1C(=O)NO

InChI Key: InChIKey=AHBFOOOWLVWQFO-MFKMUULPSA-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 = 50082540   

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
Collagenase 3 (Homo sapiens (Human))	BDBM50082540 ((3S,6R)-6-Hydroxy-4-(4-methoxy-benzenesulfonyl)-2,...) Show SMILES COc1ccc(cc1)S(=O)(=O)N1C[C@@H](O)CS(=O)(=O)C(C)(C)[C@@H]1C(=O)NO Show InChI InChI=1S/C15H22N2O8S2/c1-15(2)13(14(19)16-20)17(8-10(18)9-26(15,21)22)27(23,24)12-6-4-11(25-3)5-7-12/h4-7,10,13,18,20H,8-9H2,1-3H3,(H,16,19)/t10-,13+/m1/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	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 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
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM50082540 ((3S,6R)-6-Hydroxy-4-(4-methoxy-benzenesulfonyl)-2,...) Show SMILES COc1ccc(cc1)S(=O)(=O)N1C[C@@H](O)CS(=O)(=O)C(C)(C)[C@@H]1C(=O)NO Show InChI InChI=1S/C15H22N2O8S2/c1-15(2)13(14(19)16-20)17(8-10(18)9-26(15,21)22)27(23,24)12-6-4-11(25-3)5-7-12/h4-7,10,13,18,20H,8-9H2,1-3H3,(H,16,19)/t10-,13+/m1/s1	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 In vitro inhibitory activity against gelatinase-A (matrix metalloprotease-2).				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))	BDBM50082540 ((3S,6R)-6-Hydroxy-4-(4-methoxy-benzenesulfonyl)-2,...) Show SMILES COc1ccc(cc1)S(=O)(=O)N1C[C@@H](O)CS(=O)(=O)C(C)(C)[C@@H]1C(=O)NO Show InChI InChI=1S/C15H22N2O8S2/c1-15(2)13(14(19)16-20)17(8-10(18)9-26(15,21)22)27(23,24)12-6-4-11(25-3)5-7-12/h4-7,10,13,18,20H,8-9H2,1-3H3,(H,16,19)/t10-,13+/m1/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))	BDBM50082540 ((3S,6R)-6-Hydroxy-4-(4-methoxy-benzenesulfonyl)-2,...) Show SMILES COc1ccc(cc1)S(=O)(=O)N1C[C@@H](O)CS(=O)(=O)C(C)(C)[C@@H]1C(=O)NO Show InChI InChI=1S/C15H22N2O8S2/c1-15(2)13(14(19)16-20)17(8-10(18)9-26(15,21)22)27(23,24)12-6-4-11(25-3)5-7-12/h4-7,10,13,18,20H,8-9H2,1-3H3,(H,16,19)/t10-,13+/m1/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	7.30	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