Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Neutrophil elastase' and Ligand = 'BDBM50289134'   

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 elastase (Homo sapiens (Human))	BDBM50289134 ((S)-4-(5-Acetoxy-[1,3]dithian-2-ylidene)-7-methoxy...) Show SMILES CO[C@@H]1C2N(C1=O)C(C(=O)OC(C)(C)C)=C(C)C(=C1SCC(CS1)OC(C)=O)S2(=O)=O |t:15| Show InChI InChI=1S/C19H25NO8S3/c1-9-12(17(23)28-19(3,4)5)20-15(22)13(26-6)16(20)31(24,25)14(9)18-29-7-11(8-30-18)27-10(2)21/h11,13,16H,7-8H2,1-6H3/b18-14-/t11?,13-,16?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	320	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory activity against human sputum elastase (HSE)				Bioorg Med Chem Lett 6: 823-826 (1996) Article DOI: 10.1016/0960-894X(96)00114-X BindingDB Entry DOI: 10.7270/Q2CV4HR7
					More data for this Ligand-Target Pair