Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Matrix metalloproteinase-9' and Ligand = 'BDBM50128600'   

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))	BDBM50128600 ((S)-3-cyclohexyl-N-hydroxy-2-(4-methoxyphenylsulfo...) Show SMILES COc1ccc(cc1)S(=O)(=O)C(C)(CC1CCCCC1)C(=O)NO Show InChI InChI=1S/C17H25NO5S/c1-17(16(19)18-20,12-13-6-4-3-5-7-13)24(21,22)15-10-8-14(23-2)9-11-15/h8-11,13,20H,3-7,12H2,1-2H3,(H,18,19)	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	9	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of MMP9				ACS Med Chem Lett 2: 455-460 (2011) Article DOI: 10.1021/ml200031m BindingDB Entry DOI: 10.7270/Q2HQ40ZK
					More data for this Ligand-Target Pair
Matrix metalloproteinase-9 (Homo sapiens (Human))	BDBM50128600 ((S)-3-cyclohexyl-N-hydroxy-2-(4-methoxyphenylsulfo...) Show SMILES COc1ccc(cc1)S(=O)(=O)C(C)(CC1CCCCC1)C(=O)NO Show InChI InChI=1S/C17H25NO5S/c1-17(16(19)18-20,12-13-6-4-3-5-7-13)24(21,22)15-10-8-14(23-2)9-11-15/h8-11,13,20H,3-7,12H2,1-2H3,(H,18,19)	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	9	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description In vitro inhibition of matrix metalloprotease-9				J Med Chem 46: 2361-75 (2003) Article DOI: 10.1021/jm0205548 BindingDB Entry DOI: 10.7270/Q2RR1ZZJ
					More data for this Ligand-Target Pair