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BDBM50065153 (S)-1-[3-Methyl-2-(2-oxo-2-phenyl-ethyl)-butyryl]-pyrrolidine-2-carboxylic acid (3,3,4,4,4-pentafluoro-1-isopropyl-2-oxo-butyl)-amide::CHEMBL312554

SMILES: CC(C)C(CC(=O)c1ccccc1)C(=O)N1CCC[C@H]1C(=O)NC(C(C)C)C(=O)C(F)(F)C(F)(F)F

InChI Key: InChIKey=WPEYKWPQAJDPOF-FDYSRKEFSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50065153   
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))		BDBM50065153
PNG
((S)-1-[3-Methyl-2-(2-oxo-2-phenyl-ethyl)-butyryl]-...)
Show SMILES CC(C)C(CC(=O)c1ccccc1)C(=O)N1CCC[C@H]1C(=O)NC(C(C)C)C(=O)C(F)(F)C(F)(F)F
Show InChI InChI=1S/C25H31F5N2O4/c1-14(2)17(13-19(33)16-9-6-5-7-10-16)23(36)32-12-8-11-18(32)22(35)31-20(15(3)4)21(34)24(26,27)25(28,29)30/h5-7,9-10,14-15,17-18,20H,8,11-13H2,1-4H3,(H,31,35)/t17?,18-,20?/m0/s1
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PC cid
PC sid
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Article
PubMed
 4.20E+3n/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