Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Elastase' and Ligand = 'BDBM50311175'   

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
Elastase (Pseudomonas aeruginosa)	BDBM50311175 ((S)-N-((S)-1-amino-1-oxo-3-phenylpropan-2-yl)-2-(2...) Show SMILES CC(C)C[C@H](NC(=O)CS)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r| Show InChI InChI=1S/C17H25N3O3S/c1-11(2)8-14(19-15(21)10-24)17(23)20-13(16(18)22)9-12-6-4-3-5-7-12/h3-7,11,13-14,24H,8-10H2,1-2H3,(H2,18,22)(H,19,21)(H,20,23)/t13-,14-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.13E+5	n/a	n/a	n/a	n/a	n/a	n/a	7.2	n/a
Queen's University of Belfast Curated by ChEMBL					Assay Description Inhibition of Pseudomonas aeruginosa LasB by fluorimetric assay in buffer of pH 7.2				Bioorg Med Chem Lett 19: 6230-2 (2009) Article DOI: 10.1016/j.bmcl.2009.08.099 BindingDB Entry DOI: 10.7270/Q2B27VDS
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