Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = '72 kDa type IV collagenase' and Ligand = 'BDBM50161332'   

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))	BDBM50161332 ((R)-4-Amino-2-[(biphenyl-4-sulfonyl)-isopropoxy-am...) Show SMILES CC(C)ON([C@H](CCN)C(=O)NO)S(=O)(=O)c1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C19H25N3O5S/c1-14(2)27-22(18(12-13-20)19(23)21-24)28(25,26)17-10-8-16(9-11-17)15-6-4-3-5-7-15/h3-11,14,18,24H,12-13,20H2,1-2H3,(H,21,23)/t18-/m1/s1	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	935	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Pisa Curated by ChEMBL					Assay Description Inhibition of human matrix metalloprotease-2				Bioorg Med Chem Lett 15: 1321-6 (2005) Article DOI: 10.1016/j.bmcl.2005.01.024 BindingDB Entry DOI: 10.7270/Q2X34Z6T
					More data for this Ligand-Target Pair