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Compile Data Set for Download or QSAR

Found 9 hits of kd data for polymerid = 5023   
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))
BDBM50303364
PNG
(1-(4-((Benzo[d]oxazol-2-ylthio)methyl)phenyl)-3,3-...)
Show SMILES CCC1(CC)C(=O)N(C1=O)c1ccc(CSc2nc3ccccc3o2)cc1
Show InChI InChI=1S/C21H20N2O3S/c1-3-21(4-2)18(24)23(19(21)25)15-11-9-14(10-12-15)13-27-20-22-16-7-5-6-8-17(16)26-20/h5-12H,3-4,13H2,1-2H3
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Article
PubMed
n/an/an/a 3n/an/an/an/an/a



University of Lisbon

Curated by ChEMBL


Assay Description
Inhibition of human leukocyte elastase after 20 mins


J Med Chem 53: 241-53 (2010)


Article DOI: 10.1021/jm901082k
BindingDB Entry DOI: 10.7270/Q23B607D
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50303363
PNG
(2-(4-(3,3-Diethyl-2,4-dioxoazetidin-1-yl)benzylthi...)
Show SMILES CCC1(CC)C(=O)N(C1=O)c1ccc(CSc2nc3cc(ccc3o2)C(O)=O)cc1
Show InChI InChI=1S/C22H20N2O5S/c1-3-22(4-2)19(27)24(20(22)28)15-8-5-13(6-9-15)12-30-21-23-16-11-14(18(25)26)7-10-17(16)29-21/h5-11H,3-4,12H2,1-2H3,(H,25,26)
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n/an/an/a 9.5n/an/an/an/an/a



University of Lisbon

Curated by ChEMBL


Assay Description
Inhibition of human leukocyte elastase after 20 mins


J Med Chem 53: 241-53 (2010)


Article DOI: 10.1021/jm901082k
BindingDB Entry DOI: 10.7270/Q23B607D
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50235614
PNG
(3,3-diethyl-1-(4-tolyl)azetidine-2,4-dione | 3,3-d...)
Show SMILES CCC1(CC)C(=O)N(C1=O)c1ccc(C)cc1
Show InChI InChI=1S/C14H17NO2/c1-4-14(5-2)12(16)15(13(14)17)11-8-6-10(3)7-9-11/h6-9H,4-5H2,1-3H3
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n/an/an/a 48.2n/an/an/an/an/a



University of Lisbon

Curated by ChEMBL


Assay Description
Inhibition of human leukocyte elastase after 20 mins


J Med Chem 53: 241-53 (2010)


Article DOI: 10.1021/jm901082k
BindingDB Entry DOI: 10.7270/Q23B607D
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50235612
PNG
(1-(4-chlorophenyl)-3,3-diethylazetidine-2,4-dione ...)
Show SMILES CCC1(CC)C(=O)N(C1=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C13H14ClNO2/c1-3-13(4-2)11(16)15(12(13)17)10-7-5-9(14)6-8-10/h5-8H,3-4H2,1-2H3
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PubMed
n/an/an/a 57.9n/an/an/an/an/a



University of Lisbon

Curated by ChEMBL


Assay Description
Inhibition of human leukocyte elastase after 20 mins


J Med Chem 53: 241-53 (2010)


Article DOI: 10.1021/jm901082k
BindingDB Entry DOI: 10.7270/Q23B607D
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50303365
PNG
(1-(2-((Benzo[d]oxazol-2-ylthio)methyl)phenyl)-3,3-...)
Show SMILES CCC1(CC)C(=O)N(C1=O)c1ccccc1CSc1nc2ccccc2o1
Show InChI InChI=1S/C21H20N2O3S/c1-3-21(4-2)18(24)23(19(21)25)16-11-7-5-9-14(16)13-27-20-22-15-10-6-8-12-17(15)26-20/h5-12H,3-4,13H2,1-2H3
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PubMed
n/an/an/a 205n/an/an/an/an/a



University of Lisbon

Curated by ChEMBL


Assay Description
Inhibition of human leukocyte elastase after 20 mins


J Med Chem 53: 241-53 (2010)


Article DOI: 10.1021/jm901082k
BindingDB Entry DOI: 10.7270/Q23B607D
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50303362
PNG
(1-(2-((Benzo[d]thiazol-2-ylthio)methyl)phenyl)-3,3...)
Show SMILES CCC1(CC)C(=O)N(C1=O)c1ccccc1CSc1nc2ccccc2s1
Show InChI InChI=1S/C21H20N2O2S2/c1-3-21(4-2)18(24)23(19(21)25)16-11-7-5-9-14(16)13-26-20-22-15-10-6-8-12-17(15)27-20/h5-12H,3-4,13H2,1-2H3
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PubMed
n/an/an/a 283n/an/an/an/an/a



University of Lisbon

Curated by ChEMBL


Assay Description
Inhibition of human leukocyte elastase after 20 mins


J Med Chem 53: 241-53 (2010)


Article DOI: 10.1021/jm901082k
BindingDB Entry DOI: 10.7270/Q23B607D
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50303367
PNG
(1-(2-((5-Phenyl-1,3,4-oxadiazol-2-ylthio)methyl)ph...)
Show SMILES CCC1(CC)C(=O)N(C1=O)c1ccccc1CSc1nnc(o1)-c1ccccc1
Show InChI InChI=1S/C22H21N3O3S/c1-3-22(4-2)19(26)25(20(22)27)17-13-9-8-12-16(17)14-29-21-24-23-18(28-21)15-10-6-5-7-11-15/h5-13H,3-4,14H2,1-2H3
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PubMed
n/an/an/a 353n/an/an/an/an/a



University of Lisbon

Curated by ChEMBL


Assay Description
Inhibition of human leukocyte elastase after 20 mins


J Med Chem 53: 241-53 (2010)


Article DOI: 10.1021/jm901082k
BindingDB Entry DOI: 10.7270/Q23B607D
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50084227
PNG
(2-(diethylamino)-5-methyl-4-oxo-4H-thieno[2,3-d][1...)
Show SMILES CCN(CC)c1nc2sc(C(N)=O)c(C)c2c(=O)o1
Show InChI InChI=1S/C12H15N3O3S/c1-4-15(5-2)12-14-10-7(11(17)18-12)6(3)8(19-10)9(13)16/h4-5H2,1-3H3,(H2,13,16)
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PubMed
n/an/an/a 620n/an/an/an/an/a



University of Leipzig

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound was tested against human leukocyte elastase


J Med Chem 42: 5437-47 (2000)


Article DOI: 10.1021/jm991108w
BindingDB Entry DOI: 10.7270/Q2K936RG
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50084228
PNG
(2-(diethylamino)-5-methyl-4H-thieno[2,3-d][1,3]oxa...)
Show SMILES CCN(CC)c1nc2scc(C)c2c(=O)o1
Show InChI InChI=1S/C11H14N2O2S/c1-4-13(5-2)11-12-9-8(10(14)15-11)7(3)6-16-9/h6H,4-5H2,1-3H3
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PubMed
n/an/an/a 5.50E+3n/an/an/an/an/a



University of Leipzig

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound was tested against human leukocyte elastase


J Med Chem 42: 5437-47 (2000)


Article DOI: 10.1021/jm991108w
BindingDB Entry DOI: 10.7270/Q2K936RG
More data for this
Ligand-Target Pair