Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Neutrophil elastase' and Ligand = 'BDBM50280672'   

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))	BDBM50280672 ((6R,7S)-2-Benzoyl-7-methoxy-3-(1-methyl-1H-tetrazo...) Show SMILES CO[C@@H]1[C@@H]2N(C1=O)C(C(=O)c1ccccc1)=C(CSc1nnnn1C)CS2(=O)=O |t:17| Show InChI InChI=1S/C17H17N5O5S2/c1-21-17(18-19-20-21)28-8-11-9-29(25,26)16-14(27-2)15(24)22(16)12(11)13(23)10-6-4-3-5-7-10/h3-7,14,16H,8-9H2,1-2H3/t14-,16+/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	1.80	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
Neutrophil elastase (Homo sapiens (Human))	BDBM50280672 ((6R,7S)-2-Benzoyl-7-methoxy-3-(1-methyl-1H-tetrazo...) Show SMILES CO[C@@H]1[C@@H]2N(C1=O)C(C(=O)c1ccccc1)=C(CSc1nnnn1C)CS2(=O)=O |t:17| Show InChI InChI=1S/C17H17N5O5S2/c1-21-17(18-19-20-21)28-8-11-9-29(25,26)16-14(27-2)15(24)22(16)12(11)13(23)10-6-4-3-5-7-10/h3-7,14,16H,8-9H2,1-2H3/t14-,16+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	n/a	n/a	n/a	n/a	1.80E+4	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of human leukocyte elastase II (HLE-II) as second order rate constant				Bioorg Med Chem Lett 2: 1127-1132 (1992) Article DOI: 10.1016/S0960-894X(00)80632-0 BindingDB Entry DOI: 10.7270/Q2HT2P7Q
					More data for this Ligand-Target Pair