Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Collagenase 3' and Ligand = 'BDBM50148217'   

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))	BDBM50148217 (4-(4-Phenoxy-benzenesulfonylamino)-tetrahydro-pyra...) Show SMILES ONC(=O)C1(CCOCC1)NS(=O)(=O)c1ccc(Oc2ccccc2)cc1 Show InChI InChI=1S/C18H20N2O6S/c21-17(19-22)18(10-12-25-13-11-18)20-27(23,24)16-8-6-15(7-9-16)26-14-4-2-1-3-5-14/h1-9,20,22H,10-13H2,(H,19,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.5	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibitory activity against matrix metalloprotease-13 (MMP-13)				Bioorg Med Chem Lett 14: 3389-95 (2004) Article DOI: 10.1016/j.bmcl.2004.04.083 BindingDB Entry DOI: 10.7270/Q25Q4WPN
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