Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Matrix metalloproteinase-9' and Ligand = 'BDBM50078569'   

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))	BDBM50078569 ((S)-4-(Biphenyl-4-ylmethylsulfanyl)-N-hydroxy-2-[i...) Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC(C)C)[C@@H](CCSCc1ccc(cc1)-c1ccccc1)C(=O)NO Show InChI InChI=1S/C28H34N2O5S2/c1-21(2)19-30(37(33,34)26-15-13-25(35-3)14-16-26)27(28(31)29-32)17-18-36-20-22-9-11-24(12-10-22)23-7-5-4-6-8-23/h4-16,21,27,32H,17-20H2,1-3H3,(H,29,31)/t27-/m0/s1	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	0.200	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Montr£al Curated by ChEMBL					Assay Description Inhibition of matrix metalloprotease-9				Bioorg Med Chem Lett 9: 1691-6 (1999) BindingDB Entry DOI: 10.7270/Q20002K2
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