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BDBM50065159 (S)-1-[3-Methyl-2-(2-morpholin-4-yl-2-oxo-ethyl)-butyryl]-pyrrolidine-2-carboxylic acid ((R)-3,3,4,4,4-pentafluoro-1-isopropyl-2-oxo-butyl)-amide::CHEMBL83770

SMILES: CC(C)C(CC(=O)N1CCOCC1)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(C)C)C(=O)C(F)(F)C(F)(F)F

InChI Key: InChIKey=KQQLKIVPLPZVTD-BSRYDQRCSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50065159   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kcal/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Leukocyte elastase


(Homo sapiens (Human))		BDBM50065159
PNG
((S)-1-[3-Methyl-2-(2-morpholin-4-yl-2-oxo-ethyl)-b...)
Show SMILES CC(C)C(CC(=O)N1CCOCC1)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(C)C)C(=O)C(F)(F)C(F)(F)F
Show InChI InChI=1S/C23H34F5N3O5/c1-13(2)15(12-17(32)30-8-10-36-11-9-30)21(35)31-7-5-6-16(31)20(34)29-18(14(3)4)19(33)22(24,25)23(26,27)28/h13-16,18H,5-12H2,1-4H3,(H,29,34)/t15?,16-,18+/m0/s1
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Similars
Article
PubMed
 4.10E+4n/an/an/an/an/an/an/an/a



Hoechst Marion Roussel Inc.

Curated by ChEMBL


Assay Description
Inhibition of human neutrophil elastase in hamster lungs following 25 mg/kg pre-treatment before instillation of elastase.

J Med Chem 41: 2461-80 (1998)


Article DOI: 10.1021/jm970812e
BindingDB Entry DOI: 10.7270/Q23X85S8
More data for this
Ligand-Target Pair