Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Matrix metalloproteinase-9' and Ligand = 'BDBM50106654'   

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))	BDBM50106654 (2-[1-(Formyl-hydroxy-amino)-ethyl]-4-methyl-pentan...) Show SMILES CC(C)C[C@H]([C@H](C)N(O)C=O)C(=O)N[C@@H]([C@H](C)CCN=C(N)NS(C)(=O)=O)C(=O)Nc1nccs1 |w:19.18| Show InChI InChI=1S/C20H35N7O6S2/c1-12(2)10-15(14(4)27(31)11-28)17(29)24-16(18(30)25-20-23-8-9-34-20)13(3)6-7-22-19(21)26-35(5,32)33/h8-9,11-16,31H,6-7,10H2,1-5H3,(H,24,29)(H3,21,22,26)(H,23,25,30)/t13-,14+,15-,16+/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	8.5	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
					More data for this Ligand-Target Pair