Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Neutrophil collagenase' and Ligand = 'BDBM50077403'   

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
Neutrophil collagenase (Homo sapiens (Human))	BDBM50077403 ((R)-2-(4-Methoxy-benzenesulfonyl)-7-nitro-1,2,3,4-...) Show SMILES COc1ccc(cc1)S(=O)(=O)N1Cc2cc(ccc2C[C@@H]1C(=O)NO)[N+]([O-])=O Show InChI InChI=1S/C17H17N3O7S/c1-27-14-4-6-15(7-5-14)28(25,26)19-10-12-8-13(20(23)24)3-2-11(12)9-16(19)17(21)18-22/h2-8,16,22H,9-10H2,1H3,(H,18,21)/t16-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Hoechst Marion Roussel Curated by ChEMBL					Assay Description Inhibition of human neutrophil collagenase [Matrix Metalloprotease-8, MMP-8]				J Med Chem 42: 1908-20 (1999) Article DOI: 10.1021/jm980631s BindingDB Entry DOI: 10.7270/Q2251JV5
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