Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Neutrophil elastase' and Ligand = 'BDBM50035488'   

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))	BDBM50035488 ((S)-1-{(S)-2-[4-(4-Chloro-benzenesulfonylaminocarb...) Show SMILES CC(C)[C@H](NC(=O)c1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(Cl)cc1)C(=O)N1CCC[C@H]1C(=O)NC(C(C)C)C(=O)C(F)(F)C(F)(F)F Show InChI InChI=1S/C31H34ClF5N4O7S/c1-16(2)23(25(42)30(33,34)31(35,36)37)38-28(45)22-6-5-15-41(22)29(46)24(17(3)4)39-26(43)18-7-9-19(10-8-18)27(44)40-49(47,48)21-13-11-20(32)12-14-21/h7-14,16-17,22-24H,5-6,15H2,1-4H3,(H,38,45)(H,39,43)(H,40,44)/t22-,23?,24-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Marion Merrell Dow Research Institute Curated by ChEMBL					Assay Description In vitro inhibitory activity against human neutrophil elastase was determined at a dose of 100 mg/kg				J Med Chem 37: 4538-53 (1995) BindingDB Entry DOI: 10.7270/Q28P615X
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