Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = '72 kDa type IV collagenase' and Ligand = 'BDBM50084214'   

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))	BDBM50084214 ((R)-4-Methoxyamino-1-[4-(2-methoxy-ethoxy)-benzene...) Show SMILES COCCOc1ccc(cc1)S(=O)(=O)N1CC(C[C@@H]1C(=O)NO)NOC Show InChI InChI=1S/C15H23N3O7S/c1-23-7-8-25-12-3-5-13(6-4-12)26(21,22)18-10-11(17-24-2)9-14(18)15(19)16-20/h3-6,11,14,17,20H,7-10H2,1-2H3,(H,16,19)/t11?,14-/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	11	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
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