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BDBM50035530 CHEMBL74651::Propionic acid (E)-3-methyl-2-[((S)-1-{(S)-3-methyl-2-[4-(morpholine-4-carbonyl)-benzoylamino]-butyryl}-pyrrolidine-2-carbonyl)-amino]-1-pentafluoroethyl-but-1-enyl ester

SMILES: CCC(=O)O\C(=C(\NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)c1ccc(cc1)C(=O)N1CCOCC1)C(C)C)C(C)C)C(F)(F)C(F)(F)F

InChI Key: InChIKey=CHRNFLJHIPTTHB-PSOPJDQSSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50035530   
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))		BDBM50035530
PNG
(CHEMBL74651 | Propionic acid (E)-3-methyl-2-[((S)-...)
Show SMILES CCC(=O)O\C(=C(\NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)c1ccc(cc1)C(=O)N1CCOCC1)C(C)C)C(C)C)C(F)(F)C(F)(F)F
Show InChI InChI=1S/C32H41F5N4O7/c1-6-23(42)48-26(31(33,34)32(35,36)37)24(18(2)3)38-28(44)22-8-7-13-41(22)30(46)25(19(4)5)39-27(43)20-9-11-21(12-10-20)29(45)40-14-16-47-17-15-40/h9-12,18-19,22,25H,6-8,13-17H2,1-5H3,(H,38,44)(H,39,43)/b26-24+/t22-,25-/m0/s1
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Similars
PubMed
 25n/an/an/an/an/an/an/an/a



Marion Merrell Dow Research Institute

Curated by ChEMBL


Assay Description
Binding affinity of the compound for purified Human neutrophil elastase was determined in the presence of pig liver esterase, in vitro.

J Med Chem 38: 223-33 (1995)


BindingDB Entry DOI: 10.7270/Q2CC0ZPC
More data for this
Ligand-Target Pair