Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Stromelysin-1' and Ligand = 'BDBM50066659'   

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))	BDBM50066659 (1,3-BIS-(4-METHOXY-BENZENESULFONYL)-5,5-DIMETHYL-H...) Show SMILES COc1ccc(cc1)S(=O)(=O)N1CC(C)(C)CN(C1C(=O)NO)S(=O)(=O)c1ccc(OC)cc1 Show InChI InChI=1S/C21H27N3O8S2/c1-21(2)13-23(33(27,28)17-9-5-15(31-3)6-10-17)20(19(25)22-26)24(14-21)34(29,30)18-11-7-16(32-4)8-12-18/h5-12,20,26H,13-14H2,1-4H3,(H,22,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PubMed	18	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Queensland Curated by ChEMBL					Assay Description Inhibition of matrix metalloprotease-3 (MMP-3).				J Med Chem 43: 305-41 (2000) Checked by Author BindingDB Entry DOI: 10.7270/Q2JD4XH4
					More data for this Ligand-Target Pair
Stromelysin-1 (Homo sapiens (Human))	BDBM50066659 (1,3-BIS-(4-METHOXY-BENZENESULFONYL)-5,5-DIMETHYL-H...) Show SMILES COc1ccc(cc1)S(=O)(=O)N1CC(C)(C)CN(C1C(=O)NO)S(=O)(=O)c1ccc(OC)cc1 Show InChI InChI=1S/C21H27N3O8S2/c1-21(2)13-23(33(27,28)17-9-5-15(31-3)6-10-17)20(19(25)22-26)24(14-21)34(29,30)18-11-7-16(32-4)8-12-18/h5-12,20,26H,13-14H2,1-4H3,(H,22,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
Department of Pharmaceutical Sciences, College of Pharmacy and Health Sciences , St. John's University , Queens , New York 11439 , United States. Curated by ChEMBL					Assay Description Inhibition of truncated human recombinant MMP3 catalytic domain expressed in Escherichia coli BL21(DE3) after 3 hrs in presence of [H]-transferrin				J Med Chem 61: 2166-2210 (2018) Article DOI: 10.1021/acs.jmedchem.7b00315 BindingDB Entry DOI: 10.7270/Q2B56N68
					More data for this Ligand-Target Pair
Stromelysin-1 (Homo sapiens (Human))	BDBM50066659 (1,3-BIS-(4-METHOXY-BENZENESULFONYL)-5,5-DIMETHYL-H...) Show SMILES COc1ccc(cc1)S(=O)(=O)N1CC(C)(C)CN(C1C(=O)NO)S(=O)(=O)c1ccc(OC)cc1 Show InChI InChI=1S/C21H27N3O8S2/c1-21(2)13-23(33(27,28)17-9-5-15(31-3)6-10-17)20(19(25)22-26)24(14-21)34(29,30)18-11-7-16(32-4)8-12-18/h5-12,20,26H,13-14H2,1-4H3,(H,22,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
Procter and Gamble Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of Matrix metalloprotease-3				J Med Chem 41: 3568-71 (1998) Article DOI: 10.1021/jm980253r BindingDB Entry DOI: 10.7270/Q22F7P4F
					More data for this Ligand-Target Pair
Stromelysin-1 (Homo sapiens (Human))	BDBM50066659 (1,3-BIS-(4-METHOXY-BENZENESULFONYL)-5,5-DIMETHYL-H...) Show SMILES COc1ccc(cc1)S(=O)(=O)N1CC(C)(C)CN(C1C(=O)NO)S(=O)(=O)c1ccc(OC)cc1 Show InChI InChI=1S/C21H27N3O8S2/c1-21(2)13-23(33(27,28)17-9-5-15(31-3)6-10-17)20(19(25)22-26)24(14-21)34(29,30)18-11-7-16(32-4)8-12-18/h5-12,20,26H,13-14H2,1-4H3,(H,22,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB Article PubMed	n/a	n/a	28.6	n/a	n/a	n/a	n/a	n/a	n/a
East China University of Science and Technology Curated by ChEMBL					Assay Description Inhibition of human recombinant MMP3 catalytic domain incubated for 20 mins by fluorimetric assay				Bioorg Med Chem 20: 4164-71 (2012) Article DOI: 10.1016/j.bmc.2012.04.063 BindingDB Entry DOI: 10.7270/Q22808NT
					More data for this Ligand-Target Pair