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BDBM50035486 (S)-1-{(S)-3-Methyl-2-[3-methyl-2-(morpholine-4-carbonyl)-butyrylamino]-butyryl}-pyrrolidine-2-carboxylic acid (3,3,4,4,4-pentafluoro-1-isopropyl-2-oxo-butyl)-amide::CHEMBL342379

SMILES: CC(C)[C@H](NC(=O)C(C(C)C)C(=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=ARVYSTMATDTTGN-FVELJTHGSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50035486   
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))		BDBM50035486
PNG
((S)-1-{(S)-3-Methyl-2-[3-methyl-2-(morpholine-4-ca...)
Show SMILES CC(C)[C@H](NC(=O)C(C(C)C)C(=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/C27H41F5N4O6/c1-14(2)18(24(40)35-10-12-42-13-11-35)23(39)34-20(16(5)6)25(41)36-9-7-8-17(36)22(38)33-19(15(3)4)21(37)26(28,29)27(30,31)32/h14-20H,7-13H2,1-6H3,(H,33,38)(H,34,39)/t17-,18?,19?,20-/m0/s1
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PubMed
 44n/an/an/an/an/an/an/an/a



Marion Merrell Dow Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of human neutrophil elastase

J Med Chem 37: 4538-53 (1995)


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