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Compile Data Set for Download or QSAR

Found 2 hits of ki for monomerid = 50036103   
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
Leukocyte elastase


(Homo sapiens (Human))
BDBM50036103
PNG
(CHEMBL11098 | {2-(4-Fluoro-phenyl)-6-oxo-1-[(3,3,3...)
Show SMILES CC(C)C(NC(=O)Cn1c(ncc(NC(=O)OCc2ccccc2)c1=O)-c1ccc(F)cc1)C(=O)C(F)(F)F
Show InChI InChI=1S/C26H24F4N4O5/c1-15(2)21(22(36)26(28,29)30)33-20(35)13-34-23(17-8-10-18(27)11-9-17)31-12-19(24(34)37)32-25(38)39-14-16-6-4-3-5-7-16/h3-12,15,21H,13-14H2,1-2H3,(H,32,38)(H,33,35)
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PC cid
PC sid
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8.20n/an/an/an/an/an/an/an/a



ZENECA Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibition of human leukocyte elastase mediated hydrolysis of the synthetic substrate MeO-Suc-Ala-Ala-Pro-Val-pNA


J Med Chem 38: 98-108 (1995)


BindingDB Entry DOI: 10.7270/Q2JW8CX7
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50036103
PNG
(CHEMBL11098 | {2-(4-Fluoro-phenyl)-6-oxo-1-[(3,3,3...)
Show SMILES CC(C)C(NC(=O)Cn1c(ncc(NC(=O)OCc2ccccc2)c1=O)-c1ccc(F)cc1)C(=O)C(F)(F)F
Show InChI InChI=1S/C26H24F4N4O5/c1-15(2)21(22(36)26(28,29)30)33-20(35)13-34-23(17-8-10-18(27)11-9-17)31-12-19(24(34)37)32-25(38)39-14-16-6-4-3-5-7-16/h3-12,15,21H,13-14H2,1-2H3,(H,32,38)(H,33,35)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

PubMed
8.20n/an/an/an/an/an/an/an/a



ZENECA Pharmaceuticals Group

Curated by ChEMBL


Assay Description
Inhibition of Human Leukocyte Elastase (HLE)


J Med Chem 37: 1259-61 (1994)


BindingDB Entry DOI: 10.7270/Q2251H7P
More data for this
Ligand-Target Pair