Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = '72 kDa type IV collagenase' and Ligand = 'BDBM50074027'   

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))	BDBM50074027 (3-(4-Methoxy-benzenesulfonyl)-7-phenyl-heptanoic a...) Show SMILES COc1ccc(cc1)S(=O)(=O)C(CCCCc1ccccc1)CC(=O)NO Show InChI InChI=1S/C20H25NO5S/c1-26-17-11-13-18(14-12-17)27(24,25)19(15-20(22)21-23)10-6-5-9-16-7-3-2-4-8-16/h2-4,7-8,11-14,19,23H,5-6,9-10,15H2,1H3,(H,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Rhone Poulenc Rorer Curated by ChEMBL					Assay Description In vitro inhibition of human recombinant Matrix metalloproteinase-2.				Bioorg Med Chem Lett 10: 1637-40 (2000) BindingDB Entry DOI: 10.7270/Q20G3JDK
					More data for this Ligand-Target Pair
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM50074027 (3-(4-Methoxy-benzenesulfonyl)-7-phenyl-heptanoic a...) Show SMILES COc1ccc(cc1)S(=O)(=O)C(CCCCc1ccccc1)CC(=O)NO Show InChI InChI=1S/C20H25NO5S/c1-26-17-11-13-18(14-12-17)27(24,25)19(15-20(22)21-23)10-6-5-9-16-7-3-2-4-8-16/h2-4,7-8,11-14,19,23H,5-6,9-10,15H2,1H3,(H,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Rhône-Poulenc Rorer Curated by ChEMBL					Assay Description Inhibition of matrix metalloproteinase-2 (MMP-2), gelatinase-A				J Med Chem 42: 541-4 (1999) Article DOI: 10.1021/jm980567e BindingDB Entry DOI: 10.7270/Q2VQ31VC
					More data for this Ligand-Target Pair