Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Neutrophil elastase' and Ligand = 'BDBM35276'   

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))	BDBM35276 (tripeptide-based inhibitor, 14s) Show SMILES COC(=O)C(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)CN1CCN(CC(O)=O)C(=O)C1=O)C(C)C)C(C)C |r| Show InChI InChI=1S/C25H37N5O10/c1-13(2)18(20(34)25(39)40-5)27-21(35)15-7-6-8-30(15)22(36)19(14(3)4)26-16(31)11-28-9-10-29(12-17(32)33)24(38)23(28)37/h13-15,18-19H,6-12H2,1-5H3,(H,26,31)(H,27,35)(H,32,33)/t15-,18-,19-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.60	n/a	n/a	n/a	n/a	7.5	37
Dainippon Sumitomo Pharma Co					Assay Description To evaluate inhibitory effect of test compound, HNE was preincubated with each compound in the assay solution at 37 deg C for 4 min. The reaction was...				Bioorg Med Chem 17: 7477-86 (2009) Article DOI: 10.1016/j.bmc.2009.09.020 BindingDB Entry DOI: 10.7270/Q22Z13W5
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