BDBM50084756 4-(Azepane-1-carbonyl)-1-(4-methoxy-benzenesulfonyl)-piperazine-2-carboxylic acid hydroxyamide::CHEMBL339219

SMILES: COc1ccc(cc1)S(=O)(=O)N1CCN(CC1C(=O)NO)C(=O)N1CCCCCC1

InChI Key: InChIKey=CCVGKLVIMFBNBM-UHFFFAOYSA-N

Data: 5 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 5 hits for monomerid = 50084756   

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))	BDBM50084756 (4-(Azepane-1-carbonyl)-1-(4-methoxy-benzenesulfony...) Show SMILES COc1ccc(cc1)S(=O)(=O)N1CCN(CC1C(=O)NO)C(=O)N1CCCCCC1 Show InChI InChI=1S/C19H28N4O6S/c1-29-15-6-8-16(9-7-15)30(27,28)23-13-12-22(14-17(23)18(24)20-26)19(25)21-10-4-2-3-5-11-21/h6-9,17,26H,2-5,10-14H2,1H3,(H,20,24)	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	2.69E+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 matrix metalloprotease-7 (MMP-7)				J Med Chem 43: 369-80 (2000) BindingDB Entry DOI: 10.7270/Q2J965M3
					More data for this Ligand-Target Pair
Stromelysin-1 (Homo sapiens (Human))	BDBM50084756 (4-(Azepane-1-carbonyl)-1-(4-methoxy-benzenesulfony...) Show SMILES COc1ccc(cc1)S(=O)(=O)N1CCN(CC1C(=O)NO)C(=O)N1CCCCCC1 Show InChI InChI=1S/C19H28N4O6S/c1-29-15-6-8-16(9-7-15)30(27,28)23-13-12-22(14-17(23)18(24)20-26)19(25)21-10-4-2-3-5-11-21/h6-9,17,26H,2-5,10-14H2,1H3,(H,20,24)	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	54	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 (MMP-3)				J Med Chem 43: 369-80 (2000) BindingDB Entry DOI: 10.7270/Q2J965M3
					More data for this Ligand-Target Pair
Stromelysin-1 (Homo sapiens (Human))	BDBM50084756 (4-(Azepane-1-carbonyl)-1-(4-methoxy-benzenesulfony...) Show SMILES COc1ccc(cc1)S(=O)(=O)N1CCN(CC1C(=O)NO)C(=O)N1CCCCCC1 Show InChI InChI=1S/C19H28N4O6S/c1-29-15-6-8-16(9-7-15)30(27,28)23-13-12-22(14-17(23)18(24)20-26)19(25)21-10-4-2-3-5-11-21/h6-9,17,26H,2-5,10-14H2,1H3,(H,20,24)	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	54	n/a	n/a	n/a	n/a	n/a	n/a
University of Missouri-St. Louis Curated by ChEMBL					Assay Description Binding affinity towards matrix metalloprotease-3				J Med Chem 44: 3849-55 (2001) BindingDB Entry DOI: 10.7270/Q2ZK5HWX
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50084756 (4-(Azepane-1-carbonyl)-1-(4-methoxy-benzenesulfony...) Show SMILES COc1ccc(cc1)S(=O)(=O)N1CCN(CC1C(=O)NO)C(=O)N1CCCCCC1 Show InChI InChI=1S/C19H28N4O6S/c1-29-15-6-8-16(9-7-15)30(27,28)23-13-12-22(14-17(23)18(24)20-26)19(25)21-10-4-2-3-5-11-21/h6-9,17,26H,2-5,10-14H2,1H3,(H,20,24)	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	2.90	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 matrix metalloprotease-13 (MMP-13)				J Med Chem 43: 369-80 (2000) BindingDB Entry DOI: 10.7270/Q2J965M3
					More data for this Ligand-Target Pair
Interstitial collagenase (Homo sapiens (Human))	BDBM50084756 (4-(Azepane-1-carbonyl)-1-(4-methoxy-benzenesulfony...) Show SMILES COc1ccc(cc1)S(=O)(=O)N1CCN(CC1C(=O)NO)C(=O)N1CCCCCC1 Show InChI InChI=1S/C19H28N4O6S/c1-29-15-6-8-16(9-7-15)30(27,28)23-13-12-22(14-17(23)18(24)20-26)19(25)21-10-4-2-3-5-11-21/h6-9,17,26H,2-5,10-14H2,1H3,(H,20,24)	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	158	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-1 (MMP-1)				J Med Chem 43: 369-80 (2000) BindingDB Entry DOI: 10.7270/Q2J965M3
					More data for this Ligand-Target Pair