Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Matrix metalloproteinase-9' and Ligand = 'BDBM50108148'   

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))	BDBM50108148 (CHEMBL75464 | N-{1-(2,2-Diethyl-[1,3]dioxolan-4-yl...) Show SMILES CCC1(CC)OCC(O1)[C@@H](CS(=O)(=O)c1ccc(Oc2ccc(OC(F)(F)F)cc2)cc1)N(O)C=O Show InChI InChI=1S/C23H26F3NO8S/c1-3-22(4-2)32-13-21(35-22)20(27(29)15-28)14-36(30,31)19-11-9-17(10-12-19)33-16-5-7-18(8-6-16)34-23(24,25)26/h5-12,15,20-21,29H,3-4,13-14H2,1-2H3/t20-,21?/m1/s1	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	1.10	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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