Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Neutrophil elastase' and Ligand = 'BDBM230352'   

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))	BDBM230352 (US9340507, 20.1) Show SMILES CC[C@H](C)n1cc(C(=O)NCc2ccc(cn2)S(C)(=O)=O)c(=O)c(-c2cccc(c2)C(F)(F)F)c1C |r| Show InChI InChI=1S/C25H26F3N3O4S/c1-5-15(2)31-14-21(24(33)30-12-19-9-10-20(13-29-19)36(4,34)35)23(32)22(16(31)3)17-7-6-8-18(11-17)25(26,27)28/h6-11,13-15H,5,12H2,1-4H3,(H,30,33)/t15-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	15	n/a	n/a	n/a	n/a	7.5	25
Boehringer Ingelheim International GmbH US Patent					Assay Description Compound buffer: 100 mM Tris, 500 mM NaCl, adjusted to pH 7.5; Assay buffer: 100 mM Tris, 500 mM NaCl, adjusted to pH 7.5, containing 0.01% BSA. Test...				US Patent US9340507 (2016) BindingDB Entry DOI: 10.7270/Q2ZC81RD
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