Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Macrophage metalloelastase' and Ligand = 'BDBM50137279'   

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
Macrophage metalloelastase (Homo sapiens (Human))	BDBM50137279 (6-Hydroxy-2-(4-nitro-benzenesulfonyl)-1,2,3,4-tetr...) Show SMILES ONC(=O)C1N(CCc2cc(O)ccc12)S(=O)(=O)c1ccc(cc1)[N+]([O-])=O Show InChI InChI=1S/C16H15N3O7S/c20-12-3-6-14-10(9-12)7-8-18(15(14)16(21)17-22)27(25,26)13-4-1-11(2-5-13)19(23)24/h1-6,9,15,20,22H,7-8H2,(H,17,21)	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	59	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of matrix metalloproteinase-12 (MMP-12)				Bioorg Med Chem Lett 14: 47-50 (2003) BindingDB Entry DOI: 10.7270/Q22J6B79
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