Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Neutrophil collagenase' and Ligand = 'BDBM50077435'   

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))	BDBM50077435 ((S)-7-((S)-2-Amino-propionylamino)-2-(4-methoxy-be...) Show SMILES COc1ccc(cc1)S(=O)(=O)N1Cc2cc(NC(=O)[C@H](C)N)ccc2C[C@H]1C(=O)NO Show InChI InChI=1S/C20H24N4O6S/c1-12(21)19(25)22-15-4-3-13-10-18(20(26)23-27)24(11-14(13)9-15)31(28,29)17-7-5-16(30-2)6-8-17/h3-9,12,18,27H,10-11,21H2,1-2H3,(H,22,25)(H,23,26)/t12-,18-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5	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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