Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Neutrophil elastase' and Ligand = 'BDBM50429208'   

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))	BDBM50429208 (CHEMBL2338553) Show SMILES CO[C@H](COS([O-])(=O)=O)C(=O)N[C@@H](C(C)C)C(=O)N[C@H]1[C@@H](C)OC(=O)[C@@H](NC(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@H](Cc2ccccc2)N2[C@H](O)CC[C@H](NC(=O)\C(NC1=O)=C\C)C2=O)C(C)C |r| Show InChI InChI=1S/C46H63N7O15S/c1-9-30-39(55)48-31-20-21-35(54)53(44(31)60)33(23-29-18-14-11-15-19-29)45(61)52(7)32(22-28-16-12-10-13-17-28)40(56)50-37(26(4)5)46(62)68-27(6)38(43(59)47-30)51-42(58)36(25(2)3)49-41(57)34(66-8)24-67-69(63,64)65/h9-19,25-27,31-38,54H,20-24H2,1-8H3,(H,47,59)(H,48,55)(H,49,57)(H,50,56)(H,51,58)(H,63,64,65)/p-1/b30-9-/t27-,31+,32+,33+,34-,35-,36+,37+,38+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	121	n/a	n/a	n/a	n/a	n/a	n/a
University of Florida Curated by ChEMBL					Assay Description Inhibition of human neutrophil elastase assessed as proteolysis using N-(methoxysuccinyl)-Ala-Ala-Pro-Val-p-nitroanilide substrate incubated for 15 m...				J Med Chem 56: 1276-90 (2013) Article DOI: 10.1021/jm3017305 BindingDB Entry DOI: 10.7270/Q2CR5VQ8
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