Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Macrophage metalloelastase' and Ligand = 'BDBM29021'   

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))	BDBM29021 ((1R,5S,7R)-3-benzyl-N-hydroxy-2-oxo-6,8-dioxa-3-az...) Show SMILES ONC(=O)[C@@H]1O[C@H]2CN(Cc3ccccc3)C(=O)[C@@H]1O2 |r| Show InChI InChI=1S/C13H14N2O5/c16-12(14-18)10-11-13(17)15(7-9(19-10)20-11)6-8-4-2-1-3-5-8/h1-5,9-11,18H,6-7H2,(H,14,16)/t9-,10-,11-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	>1.00E+7	n/a	n/a	n/a	7.2	25
University of Florence					Assay Description The NMR experiments were performed to determine the binding affinity (KD) for the MMP-12 catalytic domain. The alteration of the chemical shifts indu...				Bioorg Med Chem 14: 7392-403 (2006) Article DOI: 10.1016/j.bmc.2006.07.028 BindingDB Entry DOI: 10.7270/Q2TD9VPX
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