Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Collagenase 3' and Ligand = 'BDBM50345528'   

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))	BDBM50345528 (CHEMBL1784368 | rac-N-(1-(4-(4-fluorophenyl)pipera...) Show SMILES CC(CS(=O)(=O)N1CCN(CC1)c1ccc(F)cc1)N(O)C=O Show InChI InChI=1S/C14H20FN3O4S/c1-12(18(20)11-19)10-23(21,22)17-8-6-16(7-9-17)14-4-2-13(15)3-5-14/h2-5,11-12,20H,6-10H2,1H3	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	154	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of recombinant human MMP-13 assessed as substrate cleavage after 20 hrs by fluorescence assay				Bioorg Med Chem Lett 21: 3301-6 (2011) Article DOI: 10.1016/j.bmcl.2011.04.028 BindingDB Entry DOI: 10.7270/Q2P55NVH
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