Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Neutrophil elastase' and Ligand = 'BDBM50023550'   

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))	BDBM50023550 (2,2-Dimethyl-propionic acid 2-benzoyl-5-(2,2-dimet...) Show SMILES CC(C)(C)C(=O)Oc1ccc(C(=O)c2ccccc2)c(OC(=O)C(C)(C)C)c1 Show InChI InChI=1S/C23H26O5/c1-22(2,3)20(25)27-16-12-13-17(19(24)15-10-8-7-9-11-15)18(14-16)28-21(26)23(4,5)6/h7-14H,1-6H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	84	n/a	n/a	n/a	n/a	n/a	n/a
Searle Research and Development Curated by ChEMBL					Assay Description Inhibitory activity against human leukocyte elastase at 10e-8 M				J Med Chem 31: 1052-61 (1988) BindingDB Entry DOI: 10.7270/Q2PC31DJ
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