Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = '72 kDa type IV collagenase' and Ligand = 'BDBM50241254'   

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))	BDBM50241254 (2-(benzyl-hydroxycarbamoylmethyl-amino)-N-[2-(4-su...) Show SMILES NS(=O)(=O)c1ccc(CCNC(=O)CN(CC(=O)NO)Cc2ccccc2)cc1 Show InChI InChI=1S/C19H24N4O5S/c20-29(27,28)17-8-6-15(7-9-17)10-11-21-18(24)13-23(14-19(25)22-26)12-16-4-2-1-3-5-16/h1-9,26H,10-14H2,(H,21,24)(H,22,25)(H2,20,27,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Instituto Superior Técnico Curated by ChEMBL					Assay Description Inhibition of human recombinant MMP2 transfected in mouse melanoma cells				J Med Chem 51: 7968-79 (2008) Article DOI: 10.1021/jm800964f BindingDB Entry DOI: 10.7270/Q2XK8FDN
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