Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Matrix metalloproteinase-9' and Ligand = 'BDBM50335498'   

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))	BDBM50335498 (4-(4-((Thiiran-2-ylmethyl)sulfonyl)phenoxy)phenyl ...) Show SMILES CCCS(=O)(=O)Oc1ccc(Oc2ccc(cc2)S(=O)(=O)CC2CS2)cc1 Show InChI InChI=1S/C18H20O6S3/c1-2-11-27(21,22)24-16-5-3-14(4-6-16)23-15-7-9-18(10-8-15)26(19,20)13-17-12-25-17/h3-10,17H,2,11-13H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	520	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of human recombinant MMP9 catalytic domain by substrate hydrolysis based fluorescence spectrophotometry				ACS Med Chem Lett 2: 177-181 (2011) Article DOI: 10.1021/ml100254e BindingDB Entry DOI: 10.7270/Q2N29X6G
					More data for this Ligand-Target Pair