Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Neutrophil elastase' and Ligand = 'BDBM50291935'   

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))	BDBM50291935 (4-(6-Hydroxy-2-methyl-5-oxo-2,5-dihydro-[1,2,4]tri...) Show SMILES CO[C@@H]1C2N(C1=O)C(C(=O)C(C)(C)C)=C(C)[C@@H](OC(=O)c1ccc(CSc3nc(=O)c(=O)[nH]n3C)cc1)S2(=O)=O |t:14| Show InChI InChI=1S/C25H28N4O9S2/c1-12-15(17(30)25(2,3)4)29-20(33)16(37-6)21(29)40(35,36)23(12)38-22(34)14-9-7-13(8-10-14)11-39-24-26-18(31)19(32)27-28(24)5/h7-10,16,21,23H,11H2,1-6H3,(H,27,32)/t16-,21?,23-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	n/a	n/a	7	n/a	n/a
Pharmacia Farmitalia Carlo Erba Curated by ChEMBL					Assay Description Tested for the rate constant against Human Leukocyte Elastase (HLE) inactivation				J Med Chem 37: 4003-19 (1994) BindingDB Entry DOI: 10.7270/Q2T43S5B
					More data for this Ligand-Target Pair