Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Collagenase 3' and Ligand = 'BDBM50102815'   

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))	BDBM50102815 (CHEMBL3359062) Show SMILES CCOc1ccc2nc([nH]c(=O)c2c1)C(=O)NCc1cccc(OC)c1 Show InChI InChI=1S/C19H19N3O4/c1-3-26-14-7-8-16-15(10-14)18(23)22-17(21-16)19(24)20-11-12-5-4-6-13(9-12)25-2/h4-10H,3,11H2,1-2H3,(H,20,24)(H,21,22,23)	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	2.40	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of human recombinant MMP13 using Cy3-PLGLK(Cy5Q)AR-NH2 as substrate after 40 mins by spectrofluorimetry				J Med Chem 57: 8886-902 (2014) Article DOI: 10.1021/jm500981k BindingDB Entry DOI: 10.7270/Q28P628P
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