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BDBM50065157 (R)-1-{(S)-3-Methyl-2-[4-(morpholine-4-carbonyl)-benzoylamino]-butyryl}-azetidine-2-carboxylic acid (3,3,4,4,4-pentafluoro-1-isopropyl-2-oxo-butyl)-amide::CHEMBL405979

SMILES: CC(C)[C@H](NC(=O)c1ccc(cc1)C(=O)N1CCOCC1)C(=O)N1CC[C@@H]1C(=O)NC(C(C)C)C(=O)C(F)(F)C(F)(F)F

InChI Key: InChIKey=ZNBLKHJQRGAISE-TYVLQRECSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50065157   
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))		BDBM50065157
PNG
((R)-1-{(S)-3-Methyl-2-[4-(morpholine-4-carbonyl)-b...)
Show SMILES CC(C)[C@H](NC(=O)c1ccc(cc1)C(=O)N1CCOCC1)C(=O)N1CC[C@@H]1C(=O)NC(C(C)C)C(=O)C(F)(F)C(F)(F)F
Show InChI InChI=1S/C28H35F5N4O6/c1-15(2)20(22(38)27(29,30)28(31,32)33)34-24(40)19-9-10-37(19)26(42)21(16(3)4)35-23(39)17-5-7-18(8-6-17)25(41)36-11-13-43-14-12-36/h5-8,15-16,19-21H,9-14H2,1-4H3,(H,34,40)(H,35,39)/t19-,20?,21+/m1/s1
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Similars
Article
PubMed
 34n/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