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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Leukocyte elastase' and Ligand = 'BDBM50039636'   
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))
BDBM50039636
PNG
(2,6-Dichloro-benzoic acid 1,1,3-trioxo-1,3-dihydro...)
Show SMILES Clc1cccc(Cl)c1C(=O)OCN1C(=O)c2ccccc2S1(=O)=O
Show InChI InChI=1S/C15H9Cl2NO5S/c16-10-5-3-6-11(17)13(10)15(20)23-8-18-14(19)9-4-1-2-7-12(9)24(18,21)22/h1-7H,8H2
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PC sid
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Article
2n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL




Bioorg Med Chem Lett 5: 325-330 (1995)


Article DOI: 10.1016/0960-894X(95)00029-S
BindingDB Entry DOI: 10.7270/Q2XP74WV
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50039636
PNG
(2,6-Dichloro-benzoic acid 1,1,3-trioxo-1,3-dihydro...)
Show SMILES Clc1cccc(Cl)c1C(=O)OCN1C(=O)c2ccccc2S1(=O)=O
Show InChI InChI=1S/C15H9Cl2NO5S/c16-10-5-3-6-11(17)13(10)15(20)23-8-18-14(19)9-4-1-2-7-12(9)24(18,21)22/h1-7H,8H2
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PC cid
PC sid
UniChem
Article
2.70n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Human Leukocyte Elastase (HLE) as apparent binding constant (kreact/kinact)


Bioorg Med Chem Lett 5: 105-109 (1995)


Article DOI: 10.1016/0960-894X(94)00466-S
BindingDB Entry DOI: 10.7270/Q2V69JJN
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50039636
PNG
(2,6-Dichloro-benzoic acid 1,1,3-trioxo-1,3-dihydro...)
Show SMILES Clc1cccc(Cl)c1C(=O)OCN1C(=O)c2ccccc2S1(=O)=O
Show InChI InChI=1S/C15H9Cl2NO5S/c16-10-5-3-6-11(17)13(10)15(20)23-8-18-14(19)9-4-1-2-7-12(9)24(18,21)22/h1-7H,8H2
PDB
MMDB

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PubMed
2.70n/an/an/an/an/an/an/an/a



Sterling Winthrop Pharmaceutical Research Division

Curated by ChEMBL


Assay Description
In vitro inhibition constant of human leukocyte elastase.


J Med Chem 37: 2623-6 (1994)


BindingDB Entry DOI: 10.7270/Q2ST7QGN
More data for this
Ligand-Target Pair