Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Neutrophil elastase' and Ligand = 'BDBM50023537'   

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))	BDBM50023537 (CHEMBL10148 | Sodium; 3-{bis-[4-(2,2-dimethyl-prop...) Show SMILES CC(C)(C)C(=O)Oc1ccc(cc1)C(OC(=O)CCC([O-])=O)c1ccc(OC(=O)C(C)(C)C)cc1 Show InChI InChI=1S/C27H32O8/c1-26(2,3)24(31)33-19-11-7-17(8-12-19)23(35-22(30)16-15-21(28)29)18-9-13-20(14-10-18)34-25(32)27(4,5)6/h7-14,23H,15-16H2,1-6H3,(H,28,29)/p-1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.00E+3	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-6 M				J Med Chem 31: 1052-61 (1988) BindingDB Entry DOI: 10.7270/Q2PC31DJ
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