Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Macrophage metalloelastase' and Ligand = 'BDBM50332951'   

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))	BDBM50332951 (2-(4-fluoro-N-(2-hydroxyethyl)phenylsulfonamido)-N...) Show SMILES OCCN(CC(=O)NO)S(=O)(=O)c1ccc(F)cc1 Show InChI InChI=1S/C10H13FN2O5S/c11-8-1-3-9(4-2-8)19(17,18)13(5-6-14)7-10(15)12-16/h1-4,14,16H,5-7H2,(H,12,15)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid UniChem	MMDB Article PubMed	40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
ProtEra s.r.l. Curated by ChEMBL					Assay Description Inhibition of MMP12 by fluorimetric assay				Eur J Med Chem 45: 5919-25 (2010) Article DOI: 10.1016/j.ejmech.2010.09.057 BindingDB Entry DOI: 10.7270/Q29G5N2W
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