Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Collagenase 3' and Ligand = 'BDBM30153'   

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))	BDBM30153 (alpha-sulfone piperidine hydroxamate, 1e) Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)C1(CCN(Cc2ccc(Cl)c(Cl)c2)CC1)C(=O)NO Show InChI InChI=1S/C23H24Cl2N2O5S/c1-2-3-14-32-18-5-7-19(8-6-18)33(30,31)23(22(28)26-29)10-12-27(13-11-23)16-17-4-9-20(24)21(25)15-17/h4-9,15,29H,10-14,16H2,1H3,(H,26,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	72	n/a	n/a	n/a	n/a	n/a	25
Wyeth Research					Assay Description A continuous assay was used in which the substrate is a synthetic peptide containing a fluorescent group (7-methoxycoumarin), which is quenched by en...				Bioorg Med Chem Lett 19: 3445-8 (2009) Article DOI: 10.1016/j.bmcl.2009.05.020 BindingDB Entry DOI: 10.7270/Q2GT5KHW
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