Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Neutrophil elastase' and Ligand = 'BDBM211893'   

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))	BDBM211893 (US9290459, 47.8 | US9670166, 47.8) Show SMILES CS(=O)(=O)c1cc(ccc1[C@H]1N(C(=O)NC2COC2)C(=O)N(C2=C1C(=O)CC2)c1cccc(c1)C(F)(F)F)C#N |r,c:24| Show InChI InChI=1S/C26H21F3N4O6S/c1-40(37,38)21-9-14(11-30)5-6-18(21)23-22-19(7-8-20(22)34)32(17-4-2-3-15(10-17)26(27,28)29)25(36)33(23)24(35)31-16-12-39-13-16/h2-6,9-10,16,23H,7-8,12-13H2,1H3,(H,31,35)/t23-/m1/s1	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))	BDBM211893 (US9290459, 47.8 | US9670166, 47.8) Show SMILES CS(=O)(=O)c1cc(ccc1[C@H]1N(C(=O)NC2COC2)C(=O)N(C2=C1C(=O)CC2)c1cccc(c1)C(F)(F)F)C#N |r,c:24| Show InChI InChI=1S/C26H21F3N4O6S/c1-40(37,38)21-9-14(11-30)5-6-18(21)23-22-19(7-8-20(22)34)32(17-4-2-3-15(10-17)26(27,28)29)25(36)33(23)24(35)31-16-12-39-13-16/h2-6,9-10,16,23H,7-8,12-13H2,1H3,(H,31,35)/t23-/m1/s1	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