Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Neutrophil elastase' and Ligand = 'BDBM211940'   

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))	BDBM211940 (US9290459, 53.5 | US9670166, 53.5) Show SMILES CC(C)(O)CNC(=O)N1C(C2=C(CCC2=O)N(C1=O)c1cccc(c1)C(F)F)c1ccc(cc1S(C)(=O)=O)C#N |t:10| Show InChI InChI=1S/C27H26F2N4O6S/c1-27(2,37)14-31-25(35)33-23(18-8-7-15(13-30)11-21(18)40(3,38)39)22-19(9-10-20(22)34)32(26(33)36)17-6-4-5-16(12-17)24(28)29/h4-8,11-12,23-24,37H,9-10,14H2,1-3H3,(H,31,35)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<1	n/a	n/a	n/a	n/a	7.5	25
Boehringer Ingelheim International GmbH US Patent					Assay Description Materials: Human neutrophil elastase was purchased from Calbiochem (Cat. No.: 324681) and the elastase substrate MeOSuc-Ala-Ala-Pro-Val-AMC from Bach...				US Patent US9670166 (2017) BindingDB Entry DOI: 10.7270/Q25Q4T8F
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM211940 (US9290459, 53.5 | US9670166, 53.5) Show SMILES CC(C)(O)CNC(=O)N1C(C2=C(CCC2=O)N(C1=O)c1cccc(c1)C(F)F)c1ccc(cc1S(C)(=O)=O)C#N |t:10| Show InChI InChI=1S/C27H26F2N4O6S/c1-27(2,37)14-31-25(35)33-23(18-8-7-15(13-30)11-21(18)40(3,38)39)22-19(9-10-20(22)34)32(26(33)36)17-6-4-5-16(12-17)24(28)29/h4-8,11-12,23-24,37H,9-10,14H2,1-3H3,(H,31,35)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<1	n/a	n/a	n/a	n/a	7.5	25
Boehringer Ingelheim International GmbH US Patent					Assay Description Materials: Human neutrophil elastase was purchased from Calbiochem (Cat. No.: 324681) and the elastase substrate MeOSuc-Ala-Ala-Pro-Val-AMC from Bach...				US Patent US9290459 (2016) BindingDB Entry DOI: 10.7270/Q2KS6QD5
					More data for this Ligand-Target Pair