Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Macrophage metalloelastase' and Ligand = 'BDBM28471'   

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))	BDBM28471 ((2S)-3-methyl-2-({12-[(propoxycarbonyl)amino]-8-ox...) Show SMILES CCCOC(=O)Nc1ccc2oc3cc(ccc3c2c1)S(=O)(=O)N[C@@H](C(C)C)C(O)=O |r| Show InChI InChI=1S/C21H24N2O7S/c1-4-9-29-21(26)22-13-5-8-17-16(10-13)15-7-6-14(11-18(15)30-17)31(27,28)23-19(12(2)3)20(24)25/h5-8,10-12,19,23H,4,9H2,1-3H3,(H,22,26)(H,24,25)/t19-/m0/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	5.60	n/a	n/a	n/a	n/a	7.5	22
Wyeth Research					Assay Description The assays for human MMP activity were performed by incubating fluorogenic peptide substrate with recombinant human MMP catalytic domain along with v...				J Med Chem 52: 1799-802 (2009) Article DOI: 10.1021/jm900093d BindingDB Entry DOI: 10.7270/Q2X928NP
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