Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = '72 kDa type IV collagenase' and Ligand = 'BDBM50137282'   

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))	BDBM50137282 (6-Hydroxy-2-(toluene-4-sulfonyl)-1,2,3,4-tetrahydr...) Show SMILES Cc1ccc(cc1)S(=O)(=O)N1CCc2cc(O)ccc2C1C(=O)NO Show InChI InChI=1S/C17H18N2O5S/c1-11-2-5-14(6-3-11)25(23,24)19-9-8-12-10-13(20)4-7-15(12)16(19)17(21)18-22/h2-7,10,16,20,22H,8-9H2,1H3,(H,18,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of matrix metalloproteinase-2 (MMP-2)				Bioorg Med Chem Lett 14: 47-50 (2003) BindingDB Entry DOI: 10.7270/Q22J6B79
					More data for this Ligand-Target Pair