Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Collagenase 3' and Ligand = 'BDBM50103160'   

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))	BDBM50103160 (5-Bromo-N-hydroxy-2-[(4-methoxy-benzenesulfonyl)-p...) Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1cccnc1)c1c(C)cc(Br)cc1C(=O)NO Show InChI InChI=1S/C21H20BrN3O5S/c1-14-10-16(22)11-19(21(26)24-27)20(14)25(13-15-4-3-9-23-12-15)31(28,29)18-7-5-17(30-2)6-8-18/h3-12,27H,13H2,1-2H3,(H,24,26)	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	20	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description Inhibition of matrix metalloprotease-13				Bioorg Med Chem Lett 11: 2189-92 (2001) BindingDB Entry DOI: 10.7270/Q2154HK0
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