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BDBM50061025 (S)-1-[(S)-2-(4-Methoxy-benzoylamino)-3-methyl-butyryl]-pyrrolidine-2-carboxylic acid ((S)-3,3-difluoro-1-isopropyl-2-oxo-3-propylcarbamoyl-propyl)-amide::CHEMBL105981

SMILES: CCCNC(=O)C(F)(F)C(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)c1ccc(OC)cc1)C(C)C)C(C)C

InChI Key: InChIKey=SHUQVIBRCISECP-FKBYEOEOSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50061025   
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))
BDBM50061025
PNG
((S)-1-[(S)-2-(4-Methoxy-benzoylamino)-3-methyl-but...)
Show SMILES CCCNC(=O)C(F)(F)C(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)c1ccc(OC)cc1)C(C)C)C(C)C
Show InChI InChI=1S/C28H40F2N4O6/c1-7-14-31-27(39)28(29,30)23(35)21(16(2)3)32-25(37)20-9-8-15-34(20)26(38)22(17(4)5)33-24(36)18-10-12-19(40-6)13-11-18/h10-13,16-17,20-22H,7-9,14-15H2,1-6H3,(H,31,39)(H,32,37)(H,33,36)/t20-,21-,22-/m0/s1
PDB
MMDB

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PC cid
PC sid
UniChem
Article
PubMed
8.90n/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