Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = '72 kDa type IV collagenase' and Ligand = 'BDBM50108150'   

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))	BDBM50108150 (CHEMBL75567 | N-{1-Dimethylaminomethyl-2-[4-(4-tri...) Show SMILES CN(C)CC(CS(=O)(=O)c1ccc(Oc2ccc(OC(F)(F)F)cc2)cc1)N(O)C=O Show InChI InChI=1S/C19H21F3N2O6S/c1-23(2)11-14(24(26)13-25)12-31(27,28)18-9-7-16(8-10-18)29-15-3-5-17(6-4-15)30-19(20,21)22/h3-10,13-14,26H,11-12H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	1.30	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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