Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Neutrophil elastase' and Ligand = 'BDBM50120306'   

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))	BDBM50120306 (CHEMBL262398 | Peptide Boronic Acid analogue) Show SMILES CC(C)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](N)CC(O)=O)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCc1ccc(cc1)C(C)C)B1O[C@@H]2C[C@@H]3C[C@@H](C3(C)C)[C@]2(C)O1 Show InChI InChI=1S/C46H71BN6O11/c1-24(2)28-15-12-27(13-16-28)14-18-35(47-63-34-22-29-21-33(45(29,7)8)46(34,9)64-47)50-42(60)32-11-10-20-53(32)44(62)39(26(5)6)52-43(61)38(25(3)4)51-41(59)31(17-19-36(54)55)49-40(58)30(48)23-37(56)57/h12-13,15-16,24-26,29-35,38-39H,10-11,14,17-23,48H2,1-9H3,(H,49,58)(H,50,60)(H,51,59)(H,52,61)(H,54,55)(H,56,57)/t29-,30-,31-,32+,33-,34+,35-,38-,39-,46-/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	450	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibitory concentration against Human leukocyte Elastase				Bioorg Med Chem Lett 12: 3199-202 (2002) BindingDB Entry DOI: 10.7270/Q2R49Q38
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