Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Matrix metalloproteinase-9' and Ligand = 'BDBM50103999'   

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))	BDBM50103999 (CHEMBL105279 | N-Hydroxy-2-[isobutyl-(4-methoxy-be...) Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC(C)C)C(CCSCc1cccc(OC)c1)C(=O)NO Show InChI InChI=1S/C23H32N2O6S2/c1-17(2)15-25(33(28,29)21-10-8-19(30-3)9-11-21)22(23(26)24-27)12-13-32-16-18-6-5-7-20(14-18)31-4/h5-11,14,17,22,27H,12-13,15-16H2,1-4H3,(H,24,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.20	n/a	n/a	n/a	n/a	n/a	n/a
Université de Montréal Curated by ChEMBL					Assay Description In vitro inhibition of human matrix metalloprotease-9				J Med Chem 44: 3066-73 (2001) BindingDB Entry DOI: 10.7270/Q27S7N24
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