Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Collagenase 3' and Ligand = 'BDBM50084210'   

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))	BDBM50084210 ((R)-1-[4-(2-Methoxy-ethoxy)-benzenesulfonyl]-4-met...) Show SMILES COCCOc1ccc(cc1)S(=O)(=O)N1CC(=C)C[C@@H]1C(=O)NO Show InChI InChI=1S/C15H20N2O6S/c1-11-9-14(15(18)16-19)17(10-11)24(20,21)13-5-3-12(4-6-13)23-8-7-22-2/h3-6,14,19H,1,7-10H2,2H3,(H,16,18)/t14-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
University of Florida Curated by ChEMBL					Assay Description In vitro inhibition of human recombinant collagenase-3 (Matrix metalloproteinase-13)				J Med Chem 42: 5426-36 (2000) BindingDB Entry DOI: 10.7270/Q2Q23ZGT
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