Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = '72 kDa type IV collagenase' and Ligand = 'BDBM50204371'   

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))	BDBM50204371 (2-{isopropoxy[(4-methoxyphenyl)sulfonyl]amino}-N-h...) Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC(=O)NO)OC(C)C Show InChI InChI=1S/C12H18N2O6S/c1-9(2)20-14(8-12(15)13-16)21(17,18)11-6-4-10(19-3)5-7-11/h4-7,9,16H,8H2,1-3H3,(H,13,15)	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	3.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Indian Institute of Technology (BHU) Curated by ChEMBL					Assay Description Inhibition of MMP2 (unknown origin)				Eur J Med Chem 60: 89-100 (2013) Article DOI: 10.1016/j.ejmech.2012.10.016 BindingDB Entry DOI: 10.7270/Q2MC91CR
					More data for this Ligand-Target Pair
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM50204371 (2-{isopropoxy[(4-methoxyphenyl)sulfonyl]amino}-N-h...) Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC(=O)NO)OC(C)C Show InChI InChI=1S/C12H18N2O6S/c1-9(2)20-14(8-12(15)13-16)21(17,18)11-6-4-10(19-3)5-7-11/h4-7,9,16H,8H2,1-3H3,(H,13,15)	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	4.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Pisa Curated by ChEMBL					Assay Description Inhibition of human recombinant MMP2 expressed in mouse myeloma cells				Bioorg Med Chem 15: 2298-311 (2007) Article DOI: 10.1016/j.bmc.2007.01.023 BindingDB Entry DOI: 10.7270/Q2VX0HBC
					More data for this Ligand-Target Pair
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM50204371 (2-{isopropoxy[(4-methoxyphenyl)sulfonyl]amino}-N-h...) Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC(=O)NO)OC(C)C Show InChI InChI=1S/C12H18N2O6S/c1-9(2)20-14(8-12(15)13-16)21(17,18)11-6-4-10(19-3)5-7-11/h4-7,9,16H,8H2,1-3H3,(H,13,15)	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	5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Pisa Curated by ChEMBL					Assay Description Inhibition of MMP2 by fluorometric assay				J Med Chem 53: 2622-35 (2010) Article DOI: 10.1021/jm901868z BindingDB Entry DOI: 10.7270/Q26H4HK0
					More data for this Ligand-Target Pair