Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Collagenase 3' and Ligand = 'BDBM50163828'   

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))	BDBM50163828 (5-Butyl-5-[4-(4-fluoro-phenoxy)-phenoxy]-pyrimidin...) Show SMILES CCCCC1(Oc2ccc(Oc3ccc(F)cc3)cc2)C(=O)NC(=O)NC1=O Show InChI InChI=1S/C20H19FN2O5/c1-2-3-12-20(17(24)22-19(26)23-18(20)25)28-16-10-8-15(9-11-16)27-14-6-4-13(21)5-7-14/h4-11H,2-3,12H2,1H3,(H2,22,23,24,25,26)	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	2	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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