Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = '72 kDa type IV collagenase' and Ligand = 'BDBM50084217'   

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))	BDBM50084217 ((R)-4-Methylene-1-(4-phenoxy-benzenesulfonyl)-pyrr...) Show SMILES ONC(=O)[C@H]1CC(=C)CN1S(=O)(=O)c1ccc(Oc2ccccc2)cc1 Show InChI InChI=1S/C18H18N2O5S/c1-13-11-17(18(21)19-22)20(12-13)26(23,24)16-9-7-15(8-10-16)25-14-5-3-2-4-6-14/h2-10,17,22H,1,11-12H2,(H,19,21)/t17-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
University of Florida Curated by ChEMBL					Assay Description In vitro inhibitory activity against gelatinase-A (matrix metalloproteinase-2).				J Med Chem 42: 5426-36 (2000) BindingDB Entry DOI: 10.7270/Q2Q23ZGT
					More data for this Ligand-Target Pair