Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Macrophage metalloelastase' and Ligand = 'BDBM50333938'   

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))	BDBM50333938 ((R)-3-(5-fluoro-4-(4-(trifluoromethoxy)phenyl)thio...) Show SMILES OC(=O)C[C@@H](NC(=O)c1cc(c(F)s1)-c1ccc(OC(F)(F)F)cc1)c1ccccc1 |r| Show InChI InChI=1S/C21H15F4NO4S/c22-19-15(12-6-8-14(9-7-12)30-21(23,24)25)10-17(31-19)20(29)26-16(11-18(27)28)13-4-2-1-3-5-13/h1-10,16H,11H2,(H,26,29)(H,27,28)/t16-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
Evotec OAI Curated by ChEMBL					Assay Description Inhibition of MMP-12 catalytic domain				Bioorg Med Chem Lett 21: 528-30 (2010) Article DOI: 10.1016/j.bmcl.2010.10.087 BindingDB Entry DOI: 10.7270/Q2NC61G8
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