Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = '72 kDa type IV collagenase' and Ligand = 'BDBM50187785'   

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))	BDBM50187785 (4-((4-(but-2-ynyloxy)phenylsulfonyl)methyl)-1-(4-(...) Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)CC1(CCN(CC1)C(=O)CCCN(C)C)C(=O)NO Show InChI InChI=1S/C23H33N3O6S/c1-4-5-17-32-19-8-10-20(11-9-19)33(30,31)18-23(22(28)24-29)12-15-26(16-13-23)21(27)7-6-14-25(2)3/h8-11,29H,6-7,12-18H2,1-3H3,(H,24,28)	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	302	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