Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Matrix metalloproteinase-9' and Ligand = 'BDBM50104708'   

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))	BDBM50104708 ((S)-N-(5-(4-methoxyphenyl)-6H-1,3,4-thiadiazin-2-y...) Show SMILES COc1ccc(cc1)C1=NN=C(NC(=O)[C@H](C)NS(=O)(=O)c2ccccc2)SC1 |t:9,11| Show InChI InChI=1S/C19H20N4O4S2/c1-13(23-29(25,26)16-6-4-3-5-7-16)18(24)20-19-22-21-17(12-28-19)14-8-10-15(27-2)11-9-14/h3-11,13,23H,12H2,1-2H3,(H,20,22,24)/t13-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	320	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universität Bielefeld Curated by ChEMBL					Assay Description In vitro inhibition of human matrix metalloprotease-9				J Med Chem 44: 3231-43 (2001) BindingDB Entry DOI: 10.7270/Q2RN3758
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