Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Neutrophil elastase' and Ligand = 'BDBM50037341'   

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))	BDBM50037341 (4-{2-Oxo-6-phenyl-1-[(3,3,3-trifluoro-1-isopropyl-...) Show SMILES CC(C)C(NC(=O)Cn1c(ccc(NC(=O)OCc2ccc(cc2)C(O)=O)c1=O)-c1ccccc1)C(=O)C(F)(F)F Show InChI InChI=1S/C28H26F3N3O7/c1-16(2)23(24(36)28(29,30)31)33-22(35)14-34-21(18-6-4-3-5-7-18)13-12-20(25(34)37)32-27(40)41-15-17-8-10-19(11-9-17)26(38)39/h3-13,16,23H,14-15H2,1-2H3,(H,32,40)(H,33,35)(H,38,39)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	5.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Zeneca Pharmaceuticals Group Curated by ChEMBL					Assay Description Binding affinity against human leukocyte elastase (HLE) enzyme				J Med Chem 37: 3313-26 (1994) BindingDB Entry DOI: 10.7270/Q2NK3D3T
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM50037341 (4-{2-Oxo-6-phenyl-1-[(3,3,3-trifluoro-1-isopropyl-...) Show SMILES CC(C)C(NC(=O)Cn1c(ccc(NC(=O)OCc2ccc(cc2)C(O)=O)c1=O)-c1ccccc1)C(=O)C(F)(F)F Show InChI InChI=1S/C28H26F3N3O7/c1-16(2)23(24(36)28(29,30)31)33-22(35)14-34-21(18-6-4-3-5-7-18)13-12-20(25(34)37)32-27(40)41-15-17-8-10-19(11-9-17)26(38)39/h3-13,16,23H,14-15H2,1-2H3,(H,32,40)(H,33,35)(H,38,39)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	5.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
ZENECA Pharmaceuticals Group Curated by ChEMBL					Assay Description Inhibition of Human Leukocyte Elastase (HLE)				J Med Chem 37: 1259-61 (1994) BindingDB Entry DOI: 10.7270/Q2251H7P
					More data for this Ligand-Target Pair