Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Matrix metalloproteinase-9' and Ligand = 'BDBM50230518'   

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))	BDBM50230518 ((S)-2-(cis-2,6-dimethylmorpholino)-N-hydroxy-3-(N-...) Show SMILES C[C@H]1CN(C[C@@H](C)O1)[C@@H](CN(c1ccc(Oc2ccc(cc2)C(F)(F)F)cc1)S(C)(=O)=O)C(=O)NO Show InChI InChI=1S/C23H28F3N3O6S/c1-15-12-28(13-16(2)34-15)21(22(30)27-31)14-29(36(3,32)33)18-6-10-20(11-7-18)35-19-8-4-17(5-9-19)23(24,25)26/h4-11,15-16,21,31H,12-14H2,1-3H3,(H,27,30)/t15-,16+,21-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
Johnson & Johnson Pharmaceutical Research and Development Curated by ChEMBL					Assay Description Inhibition of MMP9				Bioorg Med Chem Lett 18: 1140-5 (2008) Article DOI: 10.1016/j.bmcl.2007.11.129 BindingDB Entry DOI: 10.7270/Q2BP02JM
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