Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Neutrophil elastase' and Ligand = 'BDBM211918'   

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))	BDBM211918 (US9290459, 50.2 | US9670166, 50.2) Show SMILES CNC(=O)N1C(C2=C(CCC2=O)N(C1=O)c1cccc(c1)C(F)(F)F)c1ccc(cc1C)C#N |t:6| Show InChI InChI=1S/C24H19F3N4O3/c1-13-10-14(12-28)6-7-17(13)21-20-18(8-9-19(20)32)30(23(34)31(21)22(33)29-2)16-5-3-4-15(11-16)24(25,26)27/h3-7,10-11,21H,8-9H2,1-2H3,(H,29,33)	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))	BDBM211918 (US9290459, 50.2 | US9670166, 50.2) Show SMILES CNC(=O)N1C(C2=C(CCC2=O)N(C1=O)c1cccc(c1)C(F)(F)F)c1ccc(cc1C)C#N |t:6| Show InChI InChI=1S/C24H19F3N4O3/c1-13-10-14(12-28)6-7-17(13)21-20-18(8-9-19(20)32)30(23(34)31(21)22(33)29-2)16-5-3-4-15(11-16)24(25,26)27/h3-7,10-11,21H,8-9H2,1-2H3,(H,29,33)	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