Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Matrix metalloproteinase-9' and Ligand = 'BDBM50180606'   

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))	BDBM50180606 (3-Cyclopentylmethyl-4-oxo-4-((4-phenylethynyl)phen...) Show SMILES OC(=O)CC(CC1CCCC1)C(=O)c1ccc(cc1)C#Cc1ccccc1 Show InChI InChI=1S/C24H24O3/c25-23(26)17-22(16-20-8-4-5-9-20)24(27)21-14-12-19(13-15-21)11-10-18-6-2-1-3-7-18/h1-3,6-7,12-15,20,22H,4-5,8-9,16-17H2,(H,25,26)	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	3.39E+3	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibitory activity against MMP9				J Med Chem 49: 456-8 (2006) Article DOI: 10.1021/jm051101g BindingDB Entry DOI: 10.7270/Q2WQ03C3
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