Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Collagenase 3' and Ligand = 'BDBM50160850'   

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))	BDBM50160850 (1-[4-(Benzo[1,3]dioxol-5-yloxy)-phenyl]-1,7,9-tria...) Show SMILES O=C1CCC2(N1c1ccc(Oc3ccc4OCOc4c3)cc1)C(=O)NC(=O)NC2=O Show InChI InChI=1S/C20H15N3O7/c24-16-7-8-20(17(25)21-19(27)22-18(20)26)23(16)11-1-3-12(4-2-11)30-13-5-6-14-15(9-13)29-10-28-14/h1-6,9H,7-8,10H2,(H2,21,22,25,26,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of matrix metalloprotease-13				Bioorg Med Chem Lett 15: 1101-6 (2005) Article DOI: 10.1016/j.bmcl.2004.12.016 BindingDB Entry DOI: 10.7270/Q2F47NN2
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