Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Collagenase 3' and Ligand = 'BDBM50126606'   

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
Collagenase 3 (Homo sapiens (Human))	BDBM50126606 (8-Bromo-4-[(4-methoxy-benzenesulfonyl)-methyl-amin...) Show SMILES COc1ccc(cc1)S(=O)(=O)N(C)c1c(cnc2c(Br)cccc12)C(=O)NO Show InChI InChI=1S/C18H16BrN3O5S/c1-22(28(25,26)12-8-6-11(27-2)7-9-12)17-13-4-3-5-15(19)16(13)20-10-14(17)18(23)21-24/h3-10,24H,1-2H3,(H,21,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description Inhibitory activity against matrix metalloproteinase 13 (MMP-13).				Bioorg Med Chem Lett 13: 1487-90 (2003) BindingDB Entry DOI: 10.7270/Q29W0DW0
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