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BDBM50031211 (S)-1-{(S)-2-[4-(4-Chloro-benzenesulfonylaminocarbonyl)-benzoylamino]-3-methyl-butyryl}-pyrrolidine-2-carboxylic acid [(S)-1-(5-methoxy-benzooxazole-2-carbonyl)-2-methyl-propyl]-amide::CHEMBL337968

SMILES: COc1ccc2oc(nc2c1)C(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)c1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(Cl)cc1)C(C)C)C(C)C

InChI Key: InChIKey=OYIYFONSENFXBY-ASVWTAOFSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50031211   
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))		BDBM50031211
PNG
((S)-1-{(S)-2-[4-(4-Chloro-benzenesulfonylaminocarb...)
Show SMILES COc1ccc2oc(nc2c1)C(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)c1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(Cl)cc1)C(C)C)C(C)C
Show InChI InChI=1S/C37H40ClN5O9S/c1-20(2)30(32(44)36-39-27-19-25(51-5)14-17-29(27)52-36)40-35(47)28-7-6-18-43(28)37(48)31(21(3)4)41-33(45)22-8-10-23(11-9-22)34(46)42-53(49,50)26-15-12-24(38)13-16-26/h8-17,19-21,28,30-31H,6-7,18H2,1-5H3,(H,40,47)(H,41,45)(H,42,46)/t28-,30-,31-/m0/s1
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Similars
PubMed
 0.660n/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