Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = '72 kDa type IV collagenase' and Ligand = 'BDBM50108147'   

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
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM50108147 (CHEMBL75114 | N-Hydroxy-N-{1-(tetrahydro-furan-2-y...) Show SMILES ON(C=O)C(CS(=O)(=O)c1ccc(Oc2ccc(OC(F)(F)F)cc2)cc1)C1CCCO1 Show InChI InChI=1S/C20H20F3NO7S/c21-20(22,23)31-16-5-3-14(4-6-16)30-15-7-9-17(10-8-15)32(27,28)12-18(24(26)13-25)19-2-1-11-29-19/h3-10,13,18-19,26H,1-2,11-12H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	0.610	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description In vitro selective inhibition against matrix metalloprotease-2 (MMP-2) using fluorimetric assay				J Med Chem 45: 219-32 (2001) BindingDB Entry DOI: 10.7270/Q2XP747B
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