Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = '72 kDa type IV collagenase' and Ligand = 'BDBM50294122'   

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))	BDBM50294122 (CHEMBL560837 | N-Hydroxy-2-(N-isopropoxy-4'-methox...) Show SMILES COc1ccc(cc1)-c1ccc(cc1)S(=O)(=O)N(CC(=O)NO)OC(C)C Show InChI InChI=1S/C18H22N2O6S/c1-13(2)26-20(12-18(21)19-22)27(23,24)17-10-6-15(7-11-17)14-4-8-16(25-3)9-5-14/h4-11,13,22H,12H2,1-3H3,(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	3.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Pisa Curated by ChEMBL					Assay Description Inhibition of MMP2				J Med Chem 52: 4757-73 (2009) Article DOI: 10.1021/jm900261f BindingDB Entry DOI: 10.7270/Q2JW8DXN
					More data for this Ligand-Target Pair
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM50294122 (CHEMBL560837 | N-Hydroxy-2-(N-isopropoxy-4'-methox...) Show SMILES COc1ccc(cc1)-c1ccc(cc1)S(=O)(=O)N(CC(=O)NO)OC(C)C Show InChI InChI=1S/C18H22N2O6S/c1-13(2)26-20(12-18(21)19-22)27(23,24)17-10-6-15(7-11-17)14-4-8-16(25-3)9-5-14/h4-11,13,22H,12H2,1-3H3,(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	4.20	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Pisa Curated by ChEMBL					Assay Description Inhibition of MMP2				J Med Chem 52: 4757-73 (2009) Article DOI: 10.1021/jm900261f BindingDB Entry DOI: 10.7270/Q2JW8DXN
					More data for this Ligand-Target Pair