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BDBM50031194 (S)-1-[(S)-2-(4-Benzenesulfonylaminocarbonyl-benzoylamino)-3-methyl-butyryl]-pyrrolidine-2-carboxylic acid [(S)-1-(benzooxazole-2-carbonyl)-2-methyl-propyl]-amide::CHEMBL127615

SMILES: CC(C)[C@H](NC(=O)c1ccc(cc1)C(=O)NS(=O)(=O)c1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)c1nc2ccccc2o1

InChI Key: InChIKey=OTFHREJRVNTPOQ-BKHJTQGXSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50031194   
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))		BDBM50031194
PNG
((S)-1-[(S)-2-(4-Benzenesulfonylaminocarbonyl-benzo...)
Show SMILES CC(C)[C@H](NC(=O)c1ccc(cc1)C(=O)NS(=O)(=O)c1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)c1nc2ccccc2o1
Show InChI InChI=1S/C36H39N5O8S/c1-21(2)29(31(42)35-37-26-13-8-9-15-28(26)49-35)38-34(45)27-14-10-20-41(27)36(46)30(22(3)4)39-32(43)23-16-18-24(19-17-23)33(44)40-50(47,48)25-11-6-5-7-12-25/h5-9,11-13,15-19,21-22,27,29-30H,10,14,20H2,1-4H3,(H,38,45)(H,39,43)(H,40,44)/t27-,29-,30-/m0/s1
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Similars
PubMed
 0.5n/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