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BDBM50058369 1-[(S)-2-(4-Chloro-benzenesulfonylamino)-3-methyl-butyryl]-pyrrolidine-2-carboxylic acid (3,3,3-trifluoro-1-isopropyl-2-oxo-propyl)-amide::CHEMBL54522

SMILES: CC(C)C(NC(=O)C1CCCN1C(=O)[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)C(C)C)C(=O)C(F)(F)F

InChI Key: InChIKey=UKJCQGJVQRZELJ-ABHNRTSZSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50058369   
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))		BDBM50058369
PNG
(1-[(S)-2-(4-Chloro-benzenesulfonylamino)-3-methyl-...)
Show SMILES CC(C)C(NC(=O)C1CCCN1C(=O)[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)C(C)C)C(=O)C(F)(F)F
Show InChI InChI=1S/C22H29ClF3N3O5S/c1-12(2)17(19(30)22(24,25)26)27-20(31)16-6-5-11-29(16)21(32)18(13(3)4)28-35(33,34)15-9-7-14(23)8-10-15/h7-10,12-13,16-18,28H,5-6,11H2,1-4H3,(H,27,31)/t16?,17?,18-/m0/s1
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Similars
Article
PubMed
 3.30n/an/an/an/an/an/an/an/a



ZENECA Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory activity against Human Neutrophil Elastase using acute lung injury model (ALIM) assay

J Med Chem 40: 1876-85 (1997)


Article DOI: 10.1021/jm960819g
BindingDB Entry DOI: 10.7270/Q2X92BZJ
More data for this
Ligand-Target Pair