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BDBM50058358 1-[(S)-2-(2,6-Dimethoxy-benzoylamino)-3-methyl-butyryl]-pyrrolidine-2-carboxylic acid (3,3,3-trifluoro-1-isopropyl-2-oxo-propyl)-amide::CHEMBL56496

SMILES: COc1cccc(OC)c1C(=O)N[C@@H](C(C)C)C(=O)N1CCCC1C(=O)NC(C(C)C)C(=O)C(F)(F)F

InChI Key: InChIKey=UCLPVAZOHLFRPO-OAAAQFAESA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50058358   
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))
BDBM50058358
PNG
(1-[(S)-2-(2,6-Dimethoxy-benzoylamino)-3-methyl-but...)
Show SMILES COc1cccc(OC)c1C(=O)N[C@@H](C(C)C)C(=O)N1CCCC1C(=O)NC(C(C)C)C(=O)C(F)(F)F
Show InChI InChI=1S/C25H34F3N3O6/c1-13(2)19(21(32)25(26,27)28)29-22(33)15-9-8-12-31(15)24(35)20(14(3)4)30-23(34)18-16(36-5)10-7-11-17(18)37-6/h7,10-11,13-15,19-20H,8-9,12H2,1-6H3,(H,29,33)(H,30,34)/t15?,19?,20-/m0/s1
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Similars

Article
PubMed
15n/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