Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = '72 kDa type IV collagenase' and Ligand = 'BDBM50187797'   

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))	BDBM50187797 (4-((4-(but-2-ynyloxy)phenylsulfonyl)methyl)-N-hydr...) Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)CC1(CCN(CC1)S(C)(=O)=O)C(=O)NO Show InChI InChI=1S/C18H24N2O7S2/c1-3-4-13-27-15-5-7-16(8-6-15)29(25,26)14-18(17(21)19-22)9-11-20(12-10-18)28(2,23)24/h5-8,22H,9-14H2,1-2H3,(H,19,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	518	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of MMP2				Bioorg Med Chem Lett 16: 3927-31 (2006) Article DOI: 10.1016/j.bmcl.2006.05.026 BindingDB Entry DOI: 10.7270/Q2222TCJ
					More data for this Ligand-Target Pair