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BDBM50036056 CHEMBL424550::{(S)-1-[(S)-2-((S)-1-Aminooxalyl-2-methyl-propylcarbamoyl)-pyrrolidine-1-carbonyl]-2-methyl-propyl}-carbamic acid benzyl ester

SMILES: CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)C(N)=O

InChI Key: InChIKey=DCZDAASJUIUQFZ-FHWLQOOXSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50036056   
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))		BDBM50036056
PNG
(CHEMBL424550 | {(S)-1-[(S)-2-((S)-1-Aminooxalyl-2-...)
Show SMILES CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)C(N)=O
Show InChI InChI=1S/C24H34N4O6/c1-14(2)18(20(29)21(25)30)26-22(31)17-11-8-12-28(17)23(32)19(15(3)4)27-24(33)34-13-16-9-6-5-7-10-16/h5-7,9-10,14-15,17-19H,8,11-13H2,1-4H3,(H2,25,30)(H,26,31)(H,27,33)/t17-,18-,19-/m0/s1
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Similars
PubMed
 1.80n/an/an/an/an/an/an/an/a



ZENECA Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human neutrophil elastase (HNE) catalyzed hydrolysis of the synthetic substrate MeO-Suc-Ala- Ala-Pro-Val-pN

J Med Chem 38: 76-85 (1995)


BindingDB Entry DOI: 10.7270/Q2Z60N41
More data for this
Ligand-Target Pair