Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Matrix metalloproteinase-9' and Ligand = 'BDBM50106659'   

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))	BDBM50106659 ((2R,3R)-N-{(1R)-4-Nitroguanyl-1-[(1,3-thiazol-2-yl...) Show SMILES CCC[C@@H]([C@@H](CC1CCCCC1)C(=O)N[C@@H](CCCN=C(N)N[N+]([O-])=O)C(=O)Nc1nccs1)N(O)C=O |w:19.19| Show InChI InChI=1S/C23H38N8O6S/c1-2-7-19(30(35)15-32)17(14-16-8-4-3-5-9-16)20(33)27-18(21(34)28-23-26-12-13-38-23)10-6-11-25-22(24)29-31(36)37/h12-13,15-19,35H,2-11,14H2,1H3,(H,27,33)(H3,24,25,29)(H,26,28,34)/t17-,18+,19+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	55	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition potency was determined by fluorescence-based peptide assay against matrix metalloprotease-9				J Med Chem 44: 4252-67 (2001) BindingDB Entry DOI: 10.7270/Q24J0DF5
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