Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Neutrophil collagenase' and Ligand = 'BDBM50077389'   

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))	BDBM50077389 ((R)-2-(4-Benzoyl-benzenesulfonyl)-1,2,3,4-tetrahyd...) Show SMILES ONC(=O)[C@H]1Cc2ccccc2CN1S(=O)(=O)c1ccc(cc1)C(=O)c1ccccc1 Show InChI InChI=1S/C23H20N2O5S/c26-22(16-6-2-1-3-7-16)17-10-12-20(13-11-17)31(29,30)25-15-19-9-5-4-8-18(19)14-21(25)23(27)24-28/h1-13,21,28H,14-15H2,(H,24,27)/t21-/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	3	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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