Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Stromelysin-1' and Ligand = 'BDBM50103998'   

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))	BDBM50103998 (4-(4-Benzyloxy-benzylsulfanyl)-N-hydroxy-2-[isobut...) Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC(C)C)C(CCSCc1ccc(OCc2ccccc2)cc1)C(=O)NO Show InChI InChI=1S/C29H36N2O6S2/c1-22(2)19-31(39(34,35)27-15-13-25(36-3)14-16-27)28(29(32)30-33)17-18-38-21-24-9-11-26(12-10-24)37-20-23-7-5-4-6-8-23/h4-16,22,28,33H,17-21H2,1-3H3,(H,30,32)	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	29	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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