Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Matrix metalloproteinase-9' and Ligand = 'BDBM50118981'   

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))	BDBM50118981 (1-(2-Methoxy-acetyl)-4-[4-(pyridin-4-yloxy)-benzen...) Show SMILES COCC(=O)N1CC(N(Cc2ccccc12)S(=O)(=O)c1ccc(Oc2ccncc2)cc1)C(=O)NO Show InChI InChI=1S/C24H24N4O7S/c1-34-16-23(29)27-15-22(24(30)26-31)28(14-17-4-2-3-5-21(17)27)36(32,33)20-8-6-18(7-9-20)35-19-10-12-25-13-11-19/h2-13,22,31H,14-16H2,1H3,(H,26,30)	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	2	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Concentration required in vitro to inhibit Matrix metalloproteinase-9				Bioorg Med Chem Lett 12: 2867-70 (2002) BindingDB Entry DOI: 10.7270/Q2JS9PSH
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