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BDBM50061032 (S)-1-[(S)-3-Methyl-2-(2-phenoxy-acetylamino)-butyryl]-pyrrolidine-2-carboxylic acid (3,3,3-trifluoro-1-isopropyl-2-oxo-propyl)-amide::CHEMBL2370426

SMILES: CC(C)[C@H](NC(=O)COc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)C(F)(F)F

InChI Key: InChIKey=QLERRUOHHAOZFM-IHPCNDPISA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50061032   
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))
BDBM50061032
PNG
((S)-1-[(S)-3-Methyl-2-(2-phenoxy-acetylamino)-buty...)
Show SMILES CC(C)[C@H](NC(=O)COc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)C(F)(F)F
Show InChI InChI=1S/C24H32F3N3O5/c1-14(2)19(21(32)24(25,26)27)29-22(33)17-11-8-12-30(17)23(34)20(15(3)4)28-18(31)13-35-16-9-6-5-7-10-16/h5-7,9-10,14-15,17,19-20H,8,11-13H2,1-4H3,(H,28,31)(H,29,33)/t17-,19-,20-/m0/s1
PDB
MMDB

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PC cid
PC sid
UniChem
Article
PubMed
17n/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