Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Collagenase 3' and Ligand = 'BDBM50084226'   

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))	BDBM50084226 ((R)-1-(4-Ethoxy-benzenesulfonyl)-4-[(Z)-methoxyimi...) Show SMILES CCOc1ccc(cc1)S(=O)(=O)N1C\C(C[C@@H]1C(=O)NO)=N/OC Show InChI InChI=1S/C14H19N3O6S/c1-3-23-11-4-6-12(7-5-11)24(20,21)17-9-10(16-22-2)8-13(17)14(18)15-19/h4-7,13,19H,3,8-9H2,1-2H3,(H,15,18)/b16-10-/t13-/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	0.700	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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