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PubMed code 20004577

Compile data set for download or QSAR
Found 6 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
Leukocyte elastase


(Homo sapiens (Human))
BDBM50070942
PNG
((-)-Epigallocatechin gallate | (-)-Epigallocatechi...)
Show SMILES Oc1cc(O)c2C[C@@H](OC(=O)c3cc(O)c(O)c(O)c3)[C@H](Oc2c1)c1cc(O)c(O)c(O)c1
Show InChI InChI=1S/C22H18O11/c23-10-5-12(24)11-7-18(33-22(31)9-3-15(27)20(30)16(28)4-9)21(32-17(11)6-10)8-1-13(25)19(29)14(26)2-8/h1-6,18,21,23-30H,7H2/t18-,21-/m1/s1
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Article
PubMed
n/an/a 1.28E+4n/an/an/an/an/an/a



Korea Research Institute of Bioscience and Biotechnology

Curated by ChEMBL


Assay Description
Inhibition of human neutrophil elastase


Bioorg Med Chem Lett 20: 513-5 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.109
BindingDB Entry DOI: 10.7270/Q2TB170S
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50305815
PNG
(6-O-E-p-methoxycinnamoyl scandoside methyl ester |...)
Show SMILES COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]2[C@@H]1[C@H](OC(=O)\C=C\c1ccc(OC)cc1)C=C2CO
Show InChI InChI=1S/C27H32O13/c1-35-15-6-3-13(4-7-15)5-8-19(30)38-17-9-14(10-28)20-21(17)16(25(34)36-2)12-37-26(20)40-27-24(33)23(32)22(31)18(11-29)39-27/h3-9,12,17-18,20-24,26-29,31-33H,10-11H2,1-2H3/b8-5+/t17-,18-,20-,21+,22-,23+,24-,26+,27+/m1/s1
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Article
PubMed
n/an/a 1.80E+4n/an/an/an/an/an/a



Korea Research Institute of Bioscience and Biotechnology

Curated by ChEMBL


Assay Description
Inhibition of human neutrophil elastase


Bioorg Med Chem Lett 20: 513-5 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.109
BindingDB Entry DOI: 10.7270/Q2TB170S
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50305814
PNG
(6-O-Z-p-methoxycinnamoyl scandoside methyl ester |...)
Show SMILES COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]2[C@@H]1[C@H](OC(=O)\C=C/c1ccc(OC)cc1)C=C2CO
Show InChI InChI=1S/C27H32O13/c1-35-15-6-3-13(4-7-15)5-8-19(30)38-17-9-14(10-28)20-21(17)16(25(34)36-2)12-37-26(20)40-27-24(33)23(32)22(31)18(11-29)39-27/h3-9,12,17-18,20-24,26-29,31-33H,10-11H2,1-2H3/b8-5-/t17-,18-,20-,21+,22-,23+,24-,26+,27+/m1/s1
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Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



Korea Research Institute of Bioscience and Biotechnology

Curated by ChEMBL


Assay Description
Inhibition of human neutrophil elastase


Bioorg Med Chem Lett 20: 513-5 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.109
BindingDB Entry DOI: 10.7270/Q2TB170S
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50305812
PNG
(6-O-E-pcoumaroyl scandoside methyl ester | CHEMBL5...)
Show SMILES COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]2[C@@H]1[C@H](OC(=O)\C=C\c1ccc(O)cc1)C=C2CO
Show InChI InChI=1S/C26H30O13/c1-35-24(34)15-11-36-25(39-26-23(33)22(32)21(31)17(10-28)38-26)19-13(9-27)8-16(20(15)19)37-18(30)7-4-12-2-5-14(29)6-3-12/h2-8,11,16-17,19-23,25-29,31-33H,9-10H2,1H3/b7-4+/t16-,17-,19-,20+,21-,22+,23-,25+,26+/m1/s1
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Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



Korea Research Institute of Bioscience and Biotechnology

Curated by ChEMBL


Assay Description
Inhibition of human neutrophil elastase


Bioorg Med Chem Lett 20: 513-5 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.109
BindingDB Entry DOI: 10.7270/Q2TB170S
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50305813
PNG
(CHEMBL592955 | E-6-O-p-feruloyl scandoside methyl ...)
Show SMILES COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]2[C@@H]1[C@H](OC(=O)\C=C\c1ccc(O)c(OC)c1)C=C2CO
Show InChI InChI=1S/C27H32O14/c1-36-16-7-12(3-5-15(16)30)4-6-19(31)39-17-8-13(9-28)20-21(17)14(25(35)37-2)11-38-26(20)41-27-24(34)23(33)22(32)18(10-29)40-27/h3-8,11,17-18,20-24,26-30,32-34H,9-10H2,1-2H3/b6-4+/t17-,18-,20-,21+,22-,23+,24-,26+,27+/m1/s1
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Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



Korea Research Institute of Bioscience and Biotechnology

Curated by ChEMBL


Assay Description
Inhibition of human neutrophil elastase


Bioorg Med Chem Lett 20: 513-5 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.109
BindingDB Entry DOI: 10.7270/Q2TB170S
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50305816
PNG
(6-O-Z-pcoumaroyl scandoside methyl ester | CHEMBL4...)
Show SMILES COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]2[C@@H]1[C@H](OC(=O)\C=C/c1ccc(O)cc1)C=C2CO
Show InChI InChI=1S/C26H30O13/c1-35-24(34)15-11-36-25(39-26-23(33)22(32)21(31)17(10-28)38-26)19-13(9-27)8-16(20(15)19)37-18(30)7-4-12-2-5-14(29)6-3-12/h2-8,11,16-17,19-23,25-29,31-33H,9-10H2,1H3/b7-4-/t16-,17-,19-,20+,21-,22+,23-,25+,26+/m1/s1
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Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



Korea Research Institute of Bioscience and Biotechnology

Curated by ChEMBL


Assay Description
Inhibition of human neutrophil elastase


Bioorg Med Chem Lett 20: 513-5 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.109
BindingDB Entry DOI: 10.7270/Q2TB170S
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%