Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Stromelysin-1' and Ligand = 'BDBM50103986'   

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))	BDBM50103986 (4-Benzylsulfanyl-2-[[(3,5-dimethoxy-benzylcarbamoy...) Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC(=O)NCc1cc(OC)cc(OC)c1)C(CCSCc1ccccc1)C(=O)NO Show InChI InChI=1S/C29H35N3O8S2/c1-38-23-9-11-26(12-10-23)42(36,37)32(19-28(33)30-18-22-15-24(39-2)17-25(16-22)40-3)27(29(34)31-35)13-14-41-20-21-7-5-4-6-8-21/h4-12,15-17,27,35H,13-14,18-20H2,1-3H3,(H,30,33)(H,31,34)	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	4.70	n/a	n/a	n/a	n/a	n/a	n/a
Université de Montréal Curated by ChEMBL					Assay Description In vitro inhibitory activity against matrix metalloprotease-3				J Med Chem 44: 3066-73 (2001) BindingDB Entry DOI: 10.7270/Q27S7N24
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