Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Neutrophil collagenase' and Ligand = 'BDBM50077431'   

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))	BDBM50077431 (CHEMBL55752 | {(R)-2-[4-(4-Cyano-phenoxy)-benzenes...) Show SMILES OC(=O)C(=O)[C@H]1Cc2ccccc2CN1S(=O)(=O)c1ccc(Oc2ccc(cc2)C#N)cc1 Show InChI InChI=1S/C24H18N2O6S/c25-14-16-5-7-19(8-6-16)32-20-9-11-21(12-10-20)33(30,31)26-15-18-4-2-1-3-17(18)13-22(26)23(27)24(28)29/h1-12,22H,13,15H2,(H,28,29)/t22-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10	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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