Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Matrix metalloproteinase-9' and Ligand = 'BDBM50077158'   

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))	BDBM50077158 ((R)-2-[5-(4-Butyl-phenylethynyl)-thiophene-2-sulfo...) Show SMILES CCCCc1ccc(cc1)C#Cc1ccc(s1)S(=O)(=O)N[C@H](C(C)C)C(O)=O Show InChI InChI=1S/C21H25NO4S2/c1-4-5-6-16-7-9-17(10-8-16)11-12-18-13-14-19(27-18)28(25,26)22-20(15(2)3)21(23)24/h7-10,13-15,20,22H,4-6H2,1-3H3,(H,23,24)/t20-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	210	n/a	n/a	n/a	n/a	n/a	n/a
Shionogi & Company, Ltd. Curated by ChEMBL					Assay Description Inhibitory activity against Matrix metalloproteinase-9 (concentration required for 50% inhibition of enzyme activity)				J Med Chem 42: 1723-38 (1999) Article DOI: 10.1021/jm980514x BindingDB Entry DOI: 10.7270/Q2KP81BQ
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