Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Neutrophil elastase' and Ligand = 'BDBM50291942'   

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))	BDBM50291942 (Benzoic acid (4S,7S)-2-(2,2-dimethyl-propionyl)-7-...) Show SMILES CO[C@@H]1C2N(C1=O)C(C(=O)C(C)(C)C)=C(CSc1nnnn1C)[C@@H](OC(=O)c1ccccc1)S2(=O)=O |t:14| Show InChI InChI=1S/C22H25N5O7S2/c1-22(2,3)16(28)14-13(11-35-21-23-24-25-26(21)4)20(34-19(30)12-9-7-6-8-10-12)36(31,32)18-15(33-5)17(29)27(14)18/h6-10,15,18,20H,11H2,1-5H3/t15-,18?,20-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	n/a	n/a	>2	n/a	n/a
Pharmacia Farmitalia Carlo Erba Curated by ChEMBL					Assay Description Tested for the rate constant against Human Leukocyte Elastase (HLE) inactivation				J Med Chem 37: 4003-19 (1994) BindingDB Entry DOI: 10.7270/Q2T43S5B
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