Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Neutrophil elastase' and Ligand = 'BDBM50291923'   

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))	BDBM50291923 ((4S,7S)-2-(2,2-Dimethyl-propionyl)-7-methoxy-4-(1-...) Show SMILES CO[C@@H]1C2N(C1=O)C(C(=O)C(C)(C)C)=C(CSc1nnnn1C)[C@@H](Sc1nnnn1C)S2(=O)=O |t:14| Show InChI InChI=1S/C17H23N9O5S3/c1-17(2,3)11(27)9-8(7-32-15-18-20-22-24(15)4)14(33-16-19-21-23-25(16)5)34(29,30)13-10(31-6)12(28)26(9)13/h10,13-14H,7H2,1-6H3/t10-,13?,14-/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	2.60	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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