Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Collagenase 3' and Ligand = 'BDBM30151'   

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))	BDBM30151 (alpha-sulfone piperidine hydroxamate, 11k) Show SMILES Cc1cc(COc2ccc(cc2)S(=O)(=O)C2(CCN(Cc3ccncc3)CC2)C(=O)NO)c2ccccc2n1 Show InChI InChI=1S/C29H30N4O5S/c1-21-18-23(26-4-2-3-5-27(26)31-21)20-38-24-6-8-25(9-7-24)39(36,37)29(28(34)32-35)12-16-33(17-13-29)19-22-10-14-30-15-11-22/h2-11,14-15,18,35H,12-13,16-17,19-20H2,1H3,(H,32,34)	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	266	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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