Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Matrix metalloproteinase-9' and Ligand = 'BDBM50118977'   

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))	BDBM50118977 (4-(4-But-2-ynyloxy-benzenesulfonyl)-1-methanesulfo...) Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)N1Cc2ccccc2N(CC1C(=O)NO)S(C)(=O)=O Show InChI InChI=1S/C21H23N3O7S2/c1-3-4-13-31-17-9-11-18(12-10-17)33(29,30)24-14-16-7-5-6-8-19(16)23(32(2,27)28)15-20(24)21(25)22-26/h5-12,20,26H,13-15H2,1-2H3,(H,22,25)	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	96	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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