Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Stromelysin-1' and Ligand = 'BDBM50084753'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Stromelysin-1 (Homo sapiens (Human))	BDBM50084753 (1-(4-Methoxy-benzenesulfonyl)-4-(morpholine-4-carb...) Show SMILES COc1ccc(cc1)S(=O)(=O)N1CCN(CC1C(=O)NO)C(=O)N1CCOCC1 Show InChI InChI=1S/C17H24N4O7S/c1-27-13-2-4-14(5-3-13)29(25,26)21-7-6-20(12-15(21)16(22)18-24)17(23)19-8-10-28-11-9-19/h2-5,15,24H,6-12H2,1H3,(H,18,22)	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	124	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
Stromelysin-1 (Homo sapiens (Human))	BDBM50084753 (1-(4-Methoxy-benzenesulfonyl)-4-(morpholine-4-carb...) Show SMILES COc1ccc(cc1)S(=O)(=O)N1CCN(CC1C(=O)NO)C(=O)N1CCOCC1 Show InChI InChI=1S/C17H24N4O7S/c1-27-13-2-4-14(5-3-13)29(25,26)21-7-6-20(12-15(21)16(22)18-24)17(23)19-8-10-28-11-9-19/h2-5,15,24H,6-12H2,1H3,(H,18,22)	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	124	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