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BDBM50031213 ((S)-1-{(S)-2-[(S)-1-(5-Methoxy-benzooxazole-2-carbonyl)-2-methyl-propylcarbamoyl]-pyrrolidine-1-carbonyl}-2-methyl-propyl)-carbamic acid benzyl ester::CHEMBL129496

SMILES: COc1ccc2oc(nc2c1)C(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C)C(C)C

InChI Key: InChIKey=OMNVHFREIBWBQE-RNXOBYDBSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50031213   
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))		BDBM50031213
PNG
(((S)-1-{(S)-2-[(S)-1-(5-Methoxy-benzooxazole-2-car...)
Show SMILES COc1ccc2oc(nc2c1)C(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C)C(C)C
Show InChI InChI=1S/C31H38N4O7/c1-18(2)25(27(36)29-32-22-16-21(40-5)13-14-24(22)42-29)33-28(37)23-12-9-15-35(23)30(38)26(19(3)4)34-31(39)41-17-20-10-7-6-8-11-20/h6-8,10-11,13-14,16,18-19,23,25-26H,9,12,15,17H2,1-5H3,(H,33,37)(H,34,39)/t23-,25-,26-/m0/s1
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Similars
PubMed
 1.90n/an/an/an/an/an/an/an/a



ZENECA Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human neutrophil elastase-catalyzed hydrolysis of the synthetic substrate MeO-Suc-Ala-Ala-Pro-Val-pNa

J Med Chem 38: 3972-82 (1995)


BindingDB Entry DOI: 10.7270/Q2T152NN
More data for this
Ligand-Target Pair