Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Matrix metalloproteinase-9' and Ligand = 'BDBM50106651'   

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))	BDBM50106651 (3-(Formyl-hydroxy-amino)-2-isobutyl-hexanoic acid ...) Show SMILES CCC[C@@H]([C@@H](CC(C)C)C(=O)N[C@@H]([C@H](C)CCN=C(N)NS(C)(=O)=O)C(=O)Nc1nccs1)N(O)C=O |w:17.16| Show InChI InChI=1S/C22H39N7O6S2/c1-6-7-17(29(33)13-30)16(12-14(2)3)19(31)26-18(20(32)27-22-25-10-11-36-22)15(4)8-9-24-21(23)28-37(5,34)35/h10-11,13-18,33H,6-9,12H2,1-5H3,(H,26,31)(H3,23,24,28)(H,25,27,32)/t15-,16-,17+,18+/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	48	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition potency was determined by fluorescence-based peptide assay against matrix metalloprotease-9				J Med Chem 44: 4252-67 (2001) BindingDB Entry DOI: 10.7270/Q24J0DF5
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