Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Collagenase 3' and Ligand = 'BDBM50345506'   

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))	BDBM50345506 (CHEMBL1784362 | N-hydroxy-N-(4-((4-phenethylpiperi...) Show SMILES ON(C=O)C1(CS(=O)(=O)N2CCC(CCc3ccccc3)CC2)CCOCC1 Show InChI InChI=1S/C20H30N2O5S/c23-17-22(24)20(10-14-27-15-11-20)16-28(25,26)21-12-8-19(9-13-21)7-6-18-4-2-1-3-5-18/h1-5,17,19,24H,6-16H2	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	260	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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