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BDBM50035490 CHEMBL141517::Morpholine-4-carboxylic acid {(S)-2-methyl-1-[(S)-2-(3,3,4,4,4-pentafluoro-1-isopropyl-2-oxo-butylcarbamoyl)-pyrrolidine-1-carbonyl]-propyl}-amide

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

InChI Key: InChIKey=VHVFXVABELLFGS-AQOJYXMDSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50035490   
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))		BDBM50035490
PNG
(CHEMBL141517 | Morpholine-4-carboxylic acid {(S)-2...)
Show SMILES CC(C)[C@H](NC(=O)N1CCOCC1)C(=O)N1CCC[C@H]1C(=O)NC(C(C)C)C(=O)C(F)(F)C(F)(F)F
Show InChI InChI=1S/C22H33F5N4O5/c1-12(2)15(17(32)21(23,24)22(25,26)27)28-18(33)14-6-5-7-31(14)19(34)16(13(3)4)29-20(35)30-8-10-36-11-9-30/h12-16H,5-11H2,1-4H3,(H,28,33)(H,29,35)/t14-,15?,16-/m0/s1
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MMDB

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PubMed
 170n/an/an/an/an/an/an/an/a



Marion Merrell Dow Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human neutrophil elastase was determined at a dose of 50 mg/kg

J Med Chem 37: 4538-53 (1995)


BindingDB Entry DOI: 10.7270/Q28P615X
More data for this
Ligand-Target Pair