Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Collagenase 3' and Ligand = 'BDBM50128641'   

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))	BDBM50128641 (1-(4-(pyridin-2-yl)benzyl)-N-hydroxy-4-(4-methoxyp...) Show SMILES COc1ccc(cc1)S(=O)(=O)C1(CCN(Cc2ccc(cc2)-c2ccccn2)CC1)C(=O)NO Show InChI InChI=1S/C25H27N3O5S/c1-33-21-9-11-22(12-10-21)34(31,32)25(24(29)27-30)13-16-28(17-14-25)18-19-5-7-20(8-6-19)23-4-2-3-15-26-23/h2-12,15,30H,13-14,16-18H2,1H3,(H,27,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description In vitro inhibitory activity against matrix metalloprotease-13.				J Med Chem 46: 2376-96 (2003) Article DOI: 10.1021/jm0205550 BindingDB Entry DOI: 10.7270/Q2N0178C
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