Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Neutrophil elastase' and Ligand = 'BDBM50279767'   

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))	BDBM50279767 (CHEMBL268343 | {5-[4-(2-Carboxymethoxy-5-methoxy-b...) Show SMILES COc1ccc(OCC(O)=O)c(Cc2cc(OCCCCCc3ccccc3)c(Cc3cc(OCC(O)=O)c(Cc4cc(OCCCCCc5ccccc5)c(Cc5cc(OCC(O)=O)c(Cc6cc(OCCCCCc7ccccc7)c(C)cc6OC)cc5OC)cc4OC)cc3OC)cc2OC)c1 Show InChI InChI=1S/C87H98O18/c1-59-40-76(95-3)64(47-75(59)100-37-23-11-20-32-60-26-14-8-15-27-60)42-71-50-79(98-6)67(54-83(71)104-57-86(90)91)44-70-49-78(97-5)66(53-82(70)102-39-25-13-22-34-62-30-18-10-19-31-62)45-72-51-80(99-7)68(55-84(72)105-58-87(92)93)43-69-48-77(96-4)65(41-63-46-73(94-2)35-36-74(63)103-56-85(88)89)52-81(69)101-38-24-12-21-33-61-28-16-9-17-29-61/h8-10,14-19,26-31,35-36,40,46-55H,11-13,20-25,32-34,37-39,41-45,56-58H2,1-7H3,(H,88,89)(H,90,91)(H,92,93)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	17	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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