Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Matrix metalloproteinase-9' and Ligand = 'BDBM50108166'   

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
Matrix metalloproteinase-9 (Homo sapiens (Human))	BDBM50108166 (CHEMBL76043 | N-[1-(5,5-Dimethyl-2,4-dioxo-imidazo...) Show SMILES CC1(C)N(CC(CS(=O)(=O)c2ccc(cc2)-c2ccc(OC(F)(F)F)cc2)N(O)C=O)C(=O)NC1=O Show InChI InChI=1S/C22H22F3N3O7S/c1-21(2)19(30)26-20(31)27(21)11-16(28(32)13-29)12-36(33,34)18-9-5-15(6-10-18)14-3-7-17(8-4-14)35-22(23,24)25/h3-10,13,16,32H,11-12H2,1-2H3,(H,26,30,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.340	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description In vitro selective inhibition against Matrix metalloprotease-9 (MMP-9) using fluorimetric assay				J Med Chem 45: 219-32 (2001) BindingDB Entry DOI: 10.7270/Q2XP747B
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