Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Collagenase 3' and Ligand = 'BDBM50105429'   

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))	BDBM50105429 (CHEMBL328121 | {[1-Hydroxycarbamoyl-2-(4-phenylsul...) Show SMILES ONC(=O)C(CS(=O)(=O)c1ccc(Sc2ccccc2)cc1)NC(=O)CNC(=O)OCc1ccccc1 Show InChI InChI=1S/C25H25N3O7S2/c29-23(15-26-25(31)35-16-18-7-3-1-4-8-18)27-22(24(30)28-32)17-37(33,34)21-13-11-20(12-14-21)36-19-9-5-2-6-10-19/h1-14,22,32H,15-17H2,(H,26,31)(H,27,29)(H,28,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	800	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of Matrix metalloproteinase-13				Bioorg Med Chem Lett 11: 2719-22 (2001) BindingDB Entry DOI: 10.7270/Q2TD9WNW
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