BDBM50162740 4-(4-But-2-ynyloxy-benzenesulfonyl)-1,1-dioxo-1lambda*6*-[1,4]thiazepane-5-carboxylic acid hydroxyamide::CHEMBL181328

SMILES: CC#CCOc1ccc(cc1)S(=O)(=O)N1CCS(=O)(=O)CCC1C(=O)NO

InChI Key: InChIKey=JKWHUKMFJPDCMY-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 50162740   

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
Disintegrin and metalloproteinase domain-containing protein 17 (Homo sapiens (Human))	BDBM50162740 (4-(4-But-2-ynyloxy-benzenesulfonyl)-1,1-dioxo-1lam...) Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)N1CCS(=O)(=O)CCC1C(=O)NO Show InChI InChI=1S/C16H20N2O7S2/c1-2-3-10-25-13-4-6-14(7-5-13)27(23,24)18-9-12-26(21,22)11-8-15(18)16(19)17-20/h4-7,15,20H,8-12H2,1H3,(H,17,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibitory concentration against TNF-alpha converting enzyme at 1 uM				Bioorg Med Chem Lett 15: 1641-5 (2005) Article DOI: 10.1016/j.bmcl.2005.01.053 BindingDB Entry DOI: 10.7270/Q2930SPX
					More data for this Ligand-Target Pair
Interstitial collagenase (Homo sapiens (Human))	BDBM50162740 (4-(4-But-2-ynyloxy-benzenesulfonyl)-1,1-dioxo-1lam...) Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)N1CCS(=O)(=O)CCC1C(=O)NO Show InChI InChI=1S/C16H20N2O7S2/c1-2-3-10-25-13-4-6-14(7-5-13)27(23,24)18-9-12-26(21,22)11-8-15(18)16(19)17-20/h4-7,15,20H,8-12H2,1H3,(H,17,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	114	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibitory concentration against matrix metalloproteinase-1 at 1 uM				Bioorg Med Chem Lett 15: 1641-5 (2005) Article DOI: 10.1016/j.bmcl.2005.01.053 BindingDB Entry DOI: 10.7270/Q2930SPX
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50162740 (4-(4-But-2-ynyloxy-benzenesulfonyl)-1,1-dioxo-1lam...) Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)N1CCS(=O)(=O)CCC1C(=O)NO Show InChI InChI=1S/C16H20N2O7S2/c1-2-3-10-25-13-4-6-14(7-5-13)27(23,24)18-9-12-26(21,22)11-8-15(18)16(19)17-20/h4-7,15,20H,8-12H2,1H3,(H,17,19)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibitory concentration against Matrix metalloproteinase-13 at 1 uM				Bioorg Med Chem Lett 15: 1641-5 (2005) Article DOI: 10.1016/j.bmcl.2005.01.053 BindingDB Entry DOI: 10.7270/Q2930SPX
					More data for this Ligand-Target Pair