Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Collagenase 3' and Ligand = 'BDBM50084211'   

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))	BDBM50084211 ((R)-4-Methylene-1-(4-propoxy-benzenesulfonyl)-pyrr...) Show SMILES CCCOc1ccc(cc1)S(=O)(=O)N1CC(=C)C[C@@H]1C(=O)NO Show InChI InChI=1S/C15H20N2O5S/c1-3-8-22-12-4-6-13(7-5-12)23(20,21)17-10-11(2)9-14(17)15(18)16-19/h4-7,14,19H,2-3,8-10H2,1H3,(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	1	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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