Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Collagenase 3' and Ligand = 'BDBM50128616'   

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))	BDBM50128616 (3-(4-Diethylaminomethoxy-phenyl)-2-(4-furan-2-yl-b...) Show SMILES CCN(CC)COc1ccc(CC(C)(C(=O)NO)S(=O)(=O)c2ccc(cc2)-c2ccco2)cc1 Show InChI InChI=1S/C25H30N2O6S/c1-4-27(5-2)18-33-21-12-8-19(9-13-21)17-25(3,24(28)26-29)34(30,31)22-14-10-20(11-15-22)23-7-6-16-32-23/h6-16,29H,4-5,17-18H2,1-3H3,(H,26,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description In vitro inhibition of matrix metalloprotease-13				J Med Chem 46: 2361-75 (2003) Article DOI: 10.1021/jm0205548 BindingDB Entry DOI: 10.7270/Q2RR1ZZJ
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