BDBM50082553 (S)-4-(4-butoxy-benzenesulfonyl)-2,2-dimethyl-1,1-dioxo-1lambda*6*-[1,4]thiazepane-3-carboxylic acid hydroxyamide::CHEMBL436205

SMILES: CCCCOc1ccc(cc1)S(=O)(=O)N1CCCS(=O)(=O)C(C)(C)[C@@H]1C(=O)NO

InChI Key: InChIKey=NOXYNXIAEWTFQX-INIZCTEOSA-N

Data: 6 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 6 hits for monomerid = 50082553   

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))	BDBM50082553 ((S)-4-(4-butoxy-benzenesulfonyl)-2,2-dimethyl-1,1-...) Show SMILES CCCCOc1ccc(cc1)S(=O)(=O)N1CCCS(=O)(=O)C(C)(C)[C@@H]1C(=O)NO Show InChI InChI=1S/C18H28N2O7S2/c1-4-5-12-27-14-7-9-15(10-8-14)29(25,26)20-11-6-13-28(23,24)18(2,3)16(20)17(21)19-22/h7-10,16,22H,4-6,11-13H2,1-3H3,(H,19,21)/t16-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	19	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
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM50082553 ((S)-4-(4-butoxy-benzenesulfonyl)-2,2-dimethyl-1,1-...) Show SMILES CCCCOc1ccc(cc1)S(=O)(=O)N1CCCS(=O)(=O)C(C)(C)[C@@H]1C(=O)NO Show InChI InChI=1S/C18H28N2O7S2/c1-4-5-12-27-14-7-9-15(10-8-14)29(25,26)20-11-6-13-28(23,24)18(2,3)16(20)17(21)19-22/h7-10,16,22H,4-6,11-13H2,1-3H3,(H,19,21)/t16-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents 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 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
Stromelysin-1 (Homo sapiens (Human))	BDBM50082553 ((S)-4-(4-butoxy-benzenesulfonyl)-2,2-dimethyl-1,1-...) Show SMILES CCCCOc1ccc(cc1)S(=O)(=O)N1CCCS(=O)(=O)C(C)(C)[C@@H]1C(=O)NO Show InChI InChI=1S/C18H28N2O7S2/c1-4-5-12-27-14-7-9-15(10-8-14)29(25,26)20-11-6-13-28(23,24)18(2,3)16(20)17(21)19-22/h7-10,16,22H,4-6,11-13H2,1-3H3,(H,19,21)/t16-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.70	n/a	n/a	n/a	n/a	n/a	n/a
Pomona College Curated by ChEMBL					Assay Description Inhibition of MMP3				Bioorg Med Chem 15: 2223-68 (2007) Article DOI: 10.1016/j.bmc.2007.01.011 BindingDB Entry DOI: 10.7270/Q2571DBD
					More data for this Ligand-Target Pair
Matrix metalloproteinase-7 (MMP7) (Homo sapiens (Human))	BDBM50082553 ((S)-4-(4-butoxy-benzenesulfonyl)-2,2-dimethyl-1,1-...) Show SMILES CCCCOc1ccc(cc1)S(=O)(=O)N1CCCS(=O)(=O)C(C)(C)[C@@H]1C(=O)NO Show InChI InChI=1S/C18H28N2O7S2/c1-4-5-12-27-14-7-9-15(10-8-14)29(25,26)20-11-6-13-28(23,24)18(2,3)16(20)17(21)19-22/h7-10,16,22H,4-6,11-13H2,1-3H3,(H,19,21)/t16-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	27	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))	BDBM50082553 ((S)-4-(4-butoxy-benzenesulfonyl)-2,2-dimethyl-1,1-...) Show SMILES CCCCOc1ccc(cc1)S(=O)(=O)N1CCCS(=O)(=O)C(C)(C)[C@@H]1C(=O)NO Show InChI InChI=1S/C18H28N2O7S2/c1-4-5-12-27-14-7-9-15(10-8-14)29(25,26)20-11-6-13-28(23,24)18(2,3)16(20)17(21)19-22/h7-10,16,22H,4-6,11-13H2,1-3H3,(H,19,21)/t16-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	2.70	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))	BDBM50082553 ((S)-4-(4-butoxy-benzenesulfonyl)-2,2-dimethyl-1,1-...) Show SMILES CCCCOc1ccc(cc1)S(=O)(=O)N1CCCS(=O)(=O)C(C)(C)[C@@H]1C(=O)NO Show InChI InChI=1S/C18H28N2O7S2/c1-4-5-12-27-14-7-9-15(10-8-14)29(25,26)20-11-6-13-28(23,24)18(2,3)16(20)17(21)19-22/h7-10,16,22H,4-6,11-13H2,1-3H3,(H,19,21)/t16-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	0.400	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