Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Macrophage metalloelastase' and Ligand = 'BDBM50333934'   

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))	BDBM50333934 (CHEMBL1644423 | trans-4-((4-(4-(trifluoromethoxy)p...) Show SMILES OC(=O)[C@H]1CC[C@H](CNC(=O)c2cc(cs2)-c2ccc(OC(F)(F)F)cc2)CC1 |r,wU:3.2,wD:6.6,(10.39,-2.44,;9.05,-1.69,;9.03,-.15,;7.72,-2.47,;7.74,-4.02,;6.42,-4.8,;5.08,-4.04,;3.76,-4.83,;2.41,-4.08,;1.09,-4.87,;1.11,-6.41,;-.26,-4.12,;-.75,-2.65,;-2.29,-2.68,;-2.75,-4.14,;-1.49,-5.03,;-3.08,-1.36,;-2.34,-.01,;-3.13,1.31,;-4.67,1.27,;-5.47,2.59,;-7.01,2.56,;-7.81,3.87,;-7.75,1.21,;-8.55,2.71,;-5.42,-.08,;-4.61,-1.39,;5.05,-2.51,;6.38,-1.72,)| Show InChI InChI=1S/C20H20F3NO4S/c21-20(22,23)28-16-7-5-13(6-8-16)15-9-17(29-11-15)18(25)24-10-12-1-3-14(4-2-12)19(26)27/h5-9,11-12,14H,1-4,10H2,(H,24,25)(H,26,27)/t12-,14-	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	400	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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