Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Collagenase 3' and Ligand = 'BDBM50163805'   

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))	BDBM50163805 (5-Amino-3-(2-ethoxy-ethyl)-3-[4-(4-methoxy-phenoxy...) Show SMILES CCOCCC1(Oc2ccc(Oc3ccc(OC)cc3)cc2)C(=O)NC(=O)C(N)C1=O Show InChI InChI=1S/C22H24N2O7/c1-3-29-13-12-22(19(25)18(23)20(26)24-21(22)27)31-17-10-8-16(9-11-17)30-15-6-4-14(28-2)5-7-15/h4-11,18H,3,12-13,23H2,1-2H3,(H,24,26,27)	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	28	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibitory concentration against matrix metalloprotease 13				Bioorg Med Chem Lett 15: 1807-10 (2005) Article DOI: 10.1016/j.bmcl.2005.02.038 BindingDB Entry DOI: 10.7270/Q2JH3KPW
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