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BDBM50061053 CHEMBL2370427::{(S)-2-Methyl-1-[(S)-2-(3,3,3-trifluoro-1-isopropyl-2-oxo-propylcarbamoyl)-pyrrolidine-1-carbonyl]-propyl}-carbamic acid isobutyl ester

SMILES: CC(C)COC(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)C(F)(F)F

InChI Key: InChIKey=KSUVYULUXJGYDW-JYJNAYRXSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50061053   
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))
BDBM50061053
PNG
(CHEMBL2370427 | {(S)-2-Methyl-1-[(S)-2-(3,3,3-trif...)
Show SMILES CC(C)COC(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)C(F)(F)F
Show InChI InChI=1S/C21H34F3N3O5/c1-11(2)10-32-20(31)26-16(13(5)6)19(30)27-9-7-8-14(27)18(29)25-15(12(3)4)17(28)21(22,23)24/h11-16H,7-10H2,1-6H3,(H,25,29)(H,26,31)/t14-,15-,16-/m0/s1
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MMDB

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PC cid
PC sid
UniChem
Article
PubMed
20n/an/an/an/an/an/an/an/a



ZENECA Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity for human leukocyte elastase


J Med Chem 40: 3173-81 (1997)


Article DOI: 10.1021/jm970250z
BindingDB Entry DOI: 10.7270/Q2GT5M85
More data for this
Ligand-Target Pair