Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Neutrophil elastase' and Ligand = 'BDBM50279768'   

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))	BDBM50279768 ((2-{2-Benzyloxy-4-[2-benzyloxy-4-(2-benzyloxy-5-ca...) Show SMILES OCc1cc(OCc2ccccc2)c(Cc2cc(OCc3ccccc3)c(Cc3cc(OCc4ccccc4)c(Cc4cc(O)ccc4OCC(O)=O)cc3OCC(O)=O)cc2OCC(O)=O)cc1OCC(O)=O Show InChI InChI=1S/C57H52O17/c58-28-45-27-52(70-31-38-14-8-3-9-15-38)44(26-53(45)74-35-57(66)67)20-43-23-49(69-30-37-12-6-2-7-13-37)41(25-51(43)73-34-56(64)65)19-42-22-48(68-29-36-10-4-1-5-11-36)40(24-50(42)72-33-55(62)63)18-39-21-46(59)16-17-47(39)71-32-54(60)61/h1-17,21-27,58-59H,18-20,28-35H2,(H,60,61)(H,62,63)(H,64,65)(H,66,67)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8.30E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Rhône-Poulenc Rorer Curated by ChEMBL					Assay Description Inhibitory activity against human leukocyte elastase				J Med Chem 40: 3408-22 (1997) Article DOI: 10.1021/jm970251r BindingDB Entry DOI: 10.7270/Q26D5S4T
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