Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = '72 kDa type IV collagenase' and Ligand = 'BDBM82121'   

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))	BDBM82121 (Gama, gama-dimethyl derivative, 6) Show SMILES CC1(C)SC1CS(=O)(=O)c1ccc(Oc2ccccc2)cc1 Show InChI InChI=1S/C17H18O3S2/c1-17(2)16(21-17)12-22(18,19)15-10-8-14(9-11-15)20-13-6-4-3-5-7-13/h3-11,16H,12H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.40E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Notre Dame					Assay Description Inhibition assay using matrix metalloproteinase (MMP-2).				Chem Biol Drug Des 74: 527-34 (2009) Checked by Author Article DOI: 10.1111/j.1747-0285.2009.00881.x BindingDB Entry DOI: 10.7270/Q20P0XJV
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