Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Neutrophil elastase' and Ligand = 'BDBM50029714'   

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))	BDBM50029714 (2-(4-Isopropyl-6-methoxy-1,1,3-trioxo-1,3-dihydro-...) Show SMILES COc1cc2c(C(=O)N(COc3nc4ccccn4c(=O)c3C)S2(=O)=O)c(c1)C(C)C Show InChI InChI=1S/C21H21N3O6S/c1-12(2)15-9-14(29-4)10-16-18(15)21(26)24(31(16,27)28)11-30-19-13(3)20(25)23-8-6-5-7-17(23)22-19/h5-10,12H,11H2,1-4H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.25	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sterling Winthrop Pharmaceuticals Research Division Curated by ChEMBL					Assay Description Potency of inhibition of human leukocyte elastase is expressed as apparent binding constant				J Med Chem 38: 4687-92 (1995) BindingDB Entry DOI: 10.7270/Q2KP816X
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