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PubMed code 9822552

Compile data set for download or QSAR
Found 2 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Neutrophil elastase


(Homo sapiens (Human))
BDBM50068279
PNG
(CHEMBL359047 | {(S)-1-[(S)-1-((R)-2-{(S)-1-[(S)-1-...)
Show SMILES CC(C)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H]1CCCN1NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)OCc1ccccc1)C(C)C
Show InChI InChI=1S/C33H52N8O8/c1-18(2)26(32(47)37-21(6)28(43)35-20(5)27(42)34-19(3)4)39-31(46)25-15-12-16-41(25)40-30(45)23(8)36-29(44)22(7)38-33(48)49-17-24-13-10-9-11-14-24/h9-11,13-14,18-23,25-26H,12,15-17H2,1-8H3,(H,34,42)(H,35,43)(H,36,44)(H,37,47)(H,38,48)(H,39,46)(H,40,45)/t20-,21-,22-,23-,25+,26-/m0/s1
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PC cid
PC sid
UniChem

Similars

Article
PubMed
6.50E+4n/an/an/an/an/an/a8.0n/a



Institut Jacques Monod (UMR CNRS 7592/Universités Paris VI and VII)

Curated by ChEMBL


Assay Description
Inhibition constant of compound measured toward human leukocyte elastase (HLE) at pH 8 and 25 degree C.


J Med Chem 41: 4833-43 (1998)


Article DOI: 10.1021/jm980419o
BindingDB Entry DOI: 10.7270/Q25D8R0F
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))
BDBM50068278
PNG
(((S)-1-{(S)-2-[(R)-2-(N'-{(S)-1-[(S)-1-((S)-1-Isop...)
Show SMILES CC(C)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@@H](NNC(=O)[C@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)OCc1ccccc1)C(C)C
Show InChI InChI=1S/C33H52N8O8/c1-18(2)26(31(46)36-21(6)28(43)35-20(5)27(42)34-19(3)4)39-40-30(45)25-15-12-16-41(25)32(47)23(8)37-29(44)22(7)38-33(48)49-17-24-13-10-9-11-14-24/h9-11,13-14,18-23,25-26,39H,12,15-17H2,1-8H3,(H,34,42)(H,35,43)(H,36,46)(H,37,44)(H,38,48)(H,40,45)/t20-,21-,22-,23-,25+,26-/m0/s1
PDB
MMDB

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KEGG

UniProtKB/SwissProt

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PC cid
PC sid
UniChem

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Article
PubMed
5.95E+5n/an/an/an/an/an/a8.0n/a



Institut Jacques Monod (UMR CNRS 7592/Universités Paris VI and VII)

Curated by ChEMBL


Assay Description
Inhibition constant of compound measured toward human leukocyte elastase (HLE) at pH 8 and 25 degree C.


J Med Chem 41: 4833-43 (1998)


Article DOI: 10.1021/jm980419o
BindingDB Entry DOI: 10.7270/Q25D8R0F
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%