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Compile Data Set for Download or QSAR

Found 4407 hits Enz. Inhib. hit(s) with Target = 'Chymotrypsin'   
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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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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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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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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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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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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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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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
Chymotrypsin


(Homo sapiens (human))
BDBM93335
PNG
(QN-49)
Show SMILES NCCNC(=O)CCCCC[n+]1c(\C=C\c2c([nH]c3ccccc23)-c2ccccc2)ccc2ccccc12
Show InChI InChI=1S/C33H34N4O/c34-22-23-35-32(38)17-5-2-10-24-37-27(19-18-25-11-6-9-16-31(25)37)20-21-29-28-14-7-8-15-30(28)36-33(29)26-12-3-1-4-13-26/h1,3-4,6-9,11-16,18-21H,2,5,10,17,22-24,34H2,(H,35,38)/p+1
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n/an/an/a 2.24E+4n/an/an/a7.4n/a



New York University



Assay Description
Fluorescence titration using alpha-chymotrypsin.


J Comb Chem 10: 460-5


Article DOI: 10.1021/cc700189b
BindingDB Entry DOI: 10.7270/Q2V123CN
More data for this
Ligand-Target Pair
Chymotrypsin


(Homo sapiens (human))
BDBM93332
PNG
(QN-33)
Show SMILES CCn1c2ccccc2c2cc(\C=C\c3ccc4ccccc4[n+]3CCCCCC(=O)NCCN)ccc12
Show InChI InChI=1S/C33H36N4O/c1-2-36-31-13-8-6-11-28(31)29-24-25(16-20-32(29)36)15-18-27-19-17-26-10-5-7-12-30(26)37(27)23-9-3-4-14-33(38)35-22-21-34/h5-8,10-13,15-20,24H,2-4,9,14,21-23,34H2,1H3/p+1
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n/an/an/a 2.53E+4n/an/an/a7.4n/a



New York University



Assay Description
Fluorescence titration using alpha-chymotrypsin.


J Comb Chem 10: 460-5


Article DOI: 10.1021/cc700189b
BindingDB Entry DOI: 10.7270/Q2V123CN
More data for this
Ligand-Target Pair
Chymotrypsin


(Homo sapiens (human))
BDBM93336
PNG
(Met-49)
Show SMILES C[n+]1c(\C=C\c2c([nH]c3ccccc23)-c2ccccc2)ccc2ccccc12
Show InChI InChI=1S/C26H20N2/c1-28-21(16-15-19-9-5-8-14-25(19)28)17-18-23-22-12-6-7-13-24(22)27-26(23)20-10-3-2-4-11-20/h2-18H,1H3/p+1
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n/an/an/a 4.10E+4n/an/an/a7.4n/a



New York University



Assay Description
Fluorescence titration using alpha-chymotrypsin.


J Comb Chem 10: 460-5


Article DOI: 10.1021/cc700189b
BindingDB Entry DOI: 10.7270/Q2V123CN
More data for this
Ligand-Target Pair
Chymotrypsin


(Homo sapiens (human))
BDBM93333
PNG
(Met-33)
Show SMILES CCn1c2ccccc2c2cc(\C=C\c3ccc4ccccc4[n+]3C)ccc12
Show InChI InChI=1S/C26H23N2/c1-3-28-25-11-7-5-9-22(25)23-18-19(13-17-26(23)28)12-15-21-16-14-20-8-4-6-10-24(20)27(21)2/h4-18H,3H2,1-2H3/q+1
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n/an/an/a 1.10E+5n/an/an/a7.4n/a



New York University



Assay Description
Fluorescence titration using alpha-chymotrypsin.


J Comb Chem 10: 460-5


Article DOI: 10.1021/cc700189b
BindingDB Entry DOI: 10.7270/Q2V123CN
More data for this
Ligand-Target Pair
Chymotrypsin


(Homo sapiens (human))
BDBM93337
PNG
(Sul-49)
Show SMILES [O-]S(=O)(=O)CCCC[n+]1c(\C=C\c2c([nH]c3ccccc23)-c2ccccc2)ccc2ccccc12
Show InChI InChI=1S/C29H26N2O3S/c32-35(33,34)21-9-8-20-31-24(17-16-22-10-4-7-15-28(22)31)18-19-26-25-13-5-6-14-27(25)30-29(26)23-11-2-1-3-12-23/h1-7,10-19H,8-9,20-21H2,(H,32,33,34)
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n/an/an/a 1.90E+5n/an/an/a7.4n/a



New York University



Assay Description
Fluorescence titration using alpha-chymotrypsin.


J Comb Chem 10: 460-5


Article DOI: 10.1021/cc700189b
BindingDB Entry DOI: 10.7270/Q2V123CN
More data for this
Ligand-Target Pair
Chymotrypsin


(Homo sapiens (human))
BDBM93334
PNG
(Sul-33)
Show SMILES CCn1c2ccccc2c2cc(\C=C\c3ccc4ccccc4[n+]3CCCCS([O-])(=O)=O)ccc12
Show InChI InChI=1S/C29H28N2O3S/c1-2-30-28-12-6-4-10-25(28)26-21-22(14-18-29(26)30)13-16-24-17-15-23-9-3-5-11-27(23)31(24)19-7-8-20-35(32,33)34/h3-6,9-18,21H,2,7-8,19-20H2,1H3
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n/an/an/a 3.51E+5n/an/an/a7.4n/a



New York University



Assay Description
Fluorescence titration using alpha-chymotrypsin.


J Comb Chem 10: 460-5


Article DOI: 10.1021/cc700189b
BindingDB Entry DOI: 10.7270/Q2V123CN
More data for this
Ligand-Target Pair
Chymotrypsin


(Homo sapiens (human))
BDBM93338
PNG
(Neu-49)
Show SMILES C(=C/c1ccc2ccccc2n1)\c1c([nH]c2ccccc12)-c1ccccc1
Show InChI InChI=1S/C25H18N2/c1-2-9-19(10-3-1)25-22(21-11-5-7-13-24(21)27-25)17-16-20-15-14-18-8-4-6-12-23(18)26-20/h1-17,27H/b17-16+
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n/an/an/a>5.00E+5n/an/an/a7.4n/a



New York University



Assay Description
Fluorescence titration using alpha-chymotrypsin.


J Comb Chem 10: 460-5


Article DOI: 10.1021/cc700189b
BindingDB Entry DOI: 10.7270/Q2V123CN
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50036480
PNG
(2,6-Dichloro-3-(2-morpholin-4-yl-ethoxy)-benzoic a...)
Show SMILES CC(C)c1cccc2c1C(=O)N(COC(=O)c1c(Cl)ccc(OCCN3CCOCC3)c1Cl)S2(=O)=O
Show InChI InChI=1S/C24H26Cl2N2O7S/c1-15(2)16-4-3-5-19-20(16)23(29)28(36(19,31)32)14-35-24(30)21-17(25)6-7-18(22(21)26)34-13-10-27-8-11-33-12-9-27/h3-7,15H,8-14H2,1-2H3
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0.00800n/an/an/an/an/an/an/an/a



Sterling Winthrop Inc.

Curated by ChEMBL


Assay Description
Potency of inhibition against human leukocyte elastase (HLE) expressed as an apparent binding constant


J Med Chem 38: 739-44 (1995)


Article DOI: 10.1021/jm00005a001
BindingDB Entry DOI: 10.7270/Q2W66JTD
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50039637
PNG
(2,6-Dichloro-3-[(2-dimethylamino-ethyl)-methyl-sul...)
Show SMILES CC(C)c1cccc2c1C(=O)C(COC(=O)c1c(Cl)ccc(c1Cl)S(=O)(=O)N(C)CCN(C)C)S2(=O)=O
Show InChI InChI=1S/C24H28Cl2N2O7S2/c1-14(2)15-7-6-8-17-20(15)23(29)19(36(17,31)32)13-35-24(30)21-16(25)9-10-18(22(21)26)37(33,34)28(5)12-11-27(3)4/h6-10,14,19H,11-13H2,1-5H3
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0.0100n/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)


Article DOI: 10.1021/jm00043a001
BindingDB Entry DOI: 10.7270/Q2ST7QGN
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50039635
PNG
(2,6-Dichloro-3-(4-methyl-piperazine-1-sulfonyl)-be...)
Show SMILES CC(C)c1cccc2c1C(=O)C(COC(=O)c1c(Cl)ccc(c1Cl)S(=O)(=O)N1CCN(C)CC1)S2(=O)=O
Show InChI InChI=1S/C24H26Cl2N2O7S2/c1-14(2)15-5-4-6-17-20(15)23(29)19(36(17,31)32)13-35-24(30)21-16(25)7-8-18(22(21)26)37(33,34)28-11-9-27(3)10-12-28/h4-8,14,19H,9-13H2,1-3H3
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0.0100n/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)


Article DOI: 10.1021/jm00043a001
BindingDB Entry DOI: 10.7270/Q2ST7QGN
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50039646
PNG
(2,6-Dichloro-3-(2-morpholin-4-yl-ethoxy)-benzoic a...)
Show SMILES CC(C)c1cccc2c1C(=O)C(COC(=O)c1c(Cl)ccc(OCCN3CCOCC3)c1Cl)S2(=O)=O
Show InChI InChI=1S/C25H27Cl2NO7S/c1-15(2)16-4-3-5-19-21(16)24(29)20(36(19,31)32)14-35-25(30)22-17(26)6-7-18(23(22)27)34-13-10-28-8-11-33-12-9-28/h3-7,15,20H,8-14H2,1-2H3
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0.0100n/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)


Article DOI: 10.1021/jm00043a001
BindingDB Entry DOI: 10.7270/Q2ST7QGN
More data for this
Ligand-Target Pair
Alpha-chymotrypsin


(Bos taurus (bovine))
BDBM50034585
PNG
(CHEMBL285285 | Peptide boronate)
Show SMILES CC1(C)C2CC1[C@]1(C)OB(O[C@@H]1C2)C(Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C40H48BN3O6/c1-39(2)30-24-33(39)40(3)34(25-30)49-41(50-40)35(23-28-16-9-5-10-17-28)43-36(45)32-20-13-21-44(32)37(46)31(22-27-14-7-4-8-15-27)42-38(47)48-26-29-18-11-6-12-19-29/h4-12,14-19,30-35H,13,20-26H2,1-3H3,(H,42,47)(H,43,45)/t30?,31-,32-,33?,34+,35?,40-/m0/s1
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0.0110n/an/an/an/an/an/an/an/a



Thrombosis Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against Chymotrypsin


J Med Chem 38: 1511-22 (1995)


Article DOI: 10.1021/jm00009a012
BindingDB Entry DOI: 10.7270/Q2QR4W57
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50036476
PNG
(2,6-Dichloro-3-(4-methyl-piperazine-1-sulfonyl)-be...)
Show SMILES COc1cc2c(C(=O)N(COC(=O)c3c(Cl)ccc(c3Cl)S(=O)(=O)N3CCN(C)CC3)S2(=O)=O)c(c1)C(C)C
Show InChI InChI=1S/C24H27Cl2N3O8S2/c1-14(2)16-11-15(36-4)12-19-20(16)23(30)29(39(19,34)35)13-37-24(31)21-17(25)5-6-18(22(21)26)38(32,33)28-9-7-27(3)8-10-28/h5-6,11-12,14H,7-10,13H2,1-4H3
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0.0110n/an/an/an/an/an/an/an/a



Sterling Winthrop Inc.

Curated by ChEMBL


Assay Description
Potency of inhibition against human leukocyte elastase (HLE) expressed as an apparent binding constant


J Med Chem 38: 739-44 (1995)


Article DOI: 10.1021/jm00005a001
BindingDB Entry DOI: 10.7270/Q2W66JTD
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50036478
PNG
(3-Carboxymethoxy-2,6-dichloro-benzoic acid 4-isopr...)
Show SMILES COc1cc2c(C(=O)N(COC(=O)c3c(Cl)ccc(OCC(O)=O)c3Cl)S2(=O)=O)c(c1)C(C)C
Show InChI InChI=1S/C21H19Cl2NO9S/c1-10(2)12-6-11(31-3)7-15-17(12)20(27)24(34(15,29)30)9-33-21(28)18-13(22)4-5-14(19(18)23)32-8-16(25)26/h4-7,10H,8-9H2,1-3H3,(H,25,26)
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0.0110n/an/an/an/an/an/an/an/a



Sterling Winthrop Inc.

Curated by ChEMBL


Assay Description
Potency of inhibition against human leukocyte elastase (HLE) expressed as an apparent binding constant


J Med Chem 38: 739-44 (1995)


Article DOI: 10.1021/jm00005a001
BindingDB Entry DOI: 10.7270/Q2W66JTD
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50029704
PNG
(2-(4-Benzyl-5-oxo-2,5-dihydro-furan-3-yloxymethyl)...)
Show SMILES COc1cc2c(C(=O)N(COC3=C(Cc4ccccc4)C(=O)OC3)S2(=O)=O)c(c1)C(C)C
Show InChI InChI=1S/C23H23NO7S/c1-14(2)17-10-16(29-3)11-20-21(17)22(25)24(32(20,27)28)13-31-19-12-30-23(26)18(19)9-15-7-5-4-6-8-15/h4-8,10-11,14H,9,12-13H2,1-3H3
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0.0130n/an/an/an/an/an/an/an/a



Sterling Winthrop Pharmaceuticals Research Division

Curated by ChEMBL


Assay Description
Potency of inhibition of human leukocyte elastase is expressed as apparent binding constant


J Med Chem 38: 4687-92 (1995)


Article DOI: 10.1021/jm00023a008
BindingDB Entry DOI: 10.7270/Q2KP816X
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50036481
PNG
(2,6-Dichloro-3-[(2-dimethylamino-ethyl)-methyl-sul...)
Show SMILES COc1cc2c(C(=O)N(COC(=O)c3c(Cl)ccc(c3Cl)S(=O)(=O)N(C)CCN(C)C)S2(=O)=O)c(c1)C(C)C
Show InChI InChI=1S/C24H29Cl2N3O8S2/c1-14(2)16-11-15(36-6)12-19-20(16)23(30)29(39(19,34)35)13-37-24(31)21-17(25)7-8-18(22(21)26)38(32,33)28(5)10-9-27(3)4/h7-8,11-12,14H,9-10,13H2,1-6H3
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0.0130n/an/an/an/an/an/an/an/a



Sterling Winthrop Inc.

Curated by ChEMBL


Assay Description
Potency of inhibition against human leukocyte elastase (HLE) expressed as an apparent binding constant


J Med Chem 38: 739-44 (1995)


Article DOI: 10.1021/jm00005a001
BindingDB Entry DOI: 10.7270/Q2W66JTD
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50036477
PNG
(2,6-Dichloro-3-(2-morpholin-4-yl-ethoxy)-benzoic a...)
Show SMILES COc1cc2c(C(=O)N(COC(=O)c3c(Cl)ccc(OCCN4CCOCC4)c3Cl)S2(=O)=O)c(c1)C(C)C
Show InChI InChI=1S/C25H28Cl2N2O8S/c1-15(2)17-12-16(34-3)13-20-21(17)24(30)29(38(20,32)33)14-37-25(31)22-18(26)4-5-19(23(22)27)36-11-8-28-6-9-35-10-7-28/h4-5,12-13,15H,6-11,14H2,1-3H3
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0.0130n/an/an/an/an/an/an/an/a



University of Queensland

Curated by ChEMBL


Assay Description
Binding affinity against Elastase.


J Med Chem 43: 305-41 (2000)

Checked by Author
Article DOI: 10.1021/jm990412m
BindingDB Entry DOI: 10.7270/Q2JD4XH4
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50036477
PNG
(2,6-Dichloro-3-(2-morpholin-4-yl-ethoxy)-benzoic a...)
Show SMILES COc1cc2c(C(=O)N(COC(=O)c3c(Cl)ccc(OCCN4CCOCC4)c3Cl)S2(=O)=O)c(c1)C(C)C
Show InChI InChI=1S/C25H28Cl2N2O8S/c1-15(2)17-12-16(34-3)13-20-21(17)24(30)29(38(20,32)33)14-37-25(31)22-18(26)4-5-19(23(22)27)36-11-8-28-6-9-35-10-7-28/h4-5,12-13,15H,6-11,14H2,1-3H3
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0.0130n/an/an/an/an/an/an/an/a



Sterling Winthrop Inc.

Curated by ChEMBL


Assay Description
Potency of inhibition against human leukocyte elastase (HLE) expressed as an apparent binding constant


J Med Chem 38: 739-44 (1995)


Article DOI: 10.1021/jm00005a001
BindingDB Entry DOI: 10.7270/Q2W66JTD
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50118030
PNG
(4-(5-Cyclopropylaminomethyl-pyrazine-2-carbonyl)-3...)
Show SMILES CC(C)[C@H]1[C@H]2[C@@H](CCN2C(=O)c2cnc(CNC3CC3)cn2)N(C1=O)S(C)(=O)=O
Show InChI InChI=1S/C19H27N5O4S/c1-11(2)16-17-15(24(19(16)26)29(3,27)28)6-7-23(17)18(25)14-10-21-13(9-22-14)8-20-12-4-5-12/h9-12,15-17,20H,4-8H2,1-3H3/t15-,16+,17-/m1/s1
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0.0140n/an/an/an/an/an/an/an/a



GSK

Curated by ChEMBL


Assay Description
The compound was evaluated for its binding affinity towards human neutrophil elastase (HNE)


J Med Chem 45: 3878-90 (2002)


Article DOI: 10.1021/jm020881f
BindingDB Entry DOI: 10.7270/Q2HM596S
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50036475
PNG
(2,6-Dichloro-3-(2-pyrrolidin-1-yl-ethoxy)-benzoic ...)
Show SMILES COc1cc2c(C(=O)N(COC(=O)c3c(Cl)ccc(OCCN4CCCC4)c3Cl)S2(=O)=O)c(c1)C(C)C
Show InChI InChI=1S/C25H28Cl2N2O7S/c1-15(2)17-12-16(34-3)13-20-21(17)24(30)29(37(20,32)33)14-36-25(31)22-18(26)6-7-19(23(22)27)35-11-10-28-8-4-5-9-28/h6-7,12-13,15H,4-5,8-11,14H2,1-3H3
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0.0140n/an/an/an/an/an/an/an/a



Sterling Winthrop Inc.

Curated by ChEMBL


Assay Description
Potency of inhibition against human leukocyte elastase (HLE) expressed as an apparent binding constant


J Med Chem 38: 739-44 (1995)


Article DOI: 10.1021/jm00005a001
BindingDB Entry DOI: 10.7270/Q2W66JTD
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50029709
PNG
(2-(4-Benzyl-2-methyl-5-oxo-2,5-dihydro-furan-3-ylo...)
Show SMILES COc1cc2c(C(=O)N(COC3=C(Cc4ccccc4)C(=O)OC3C)S2(=O)=O)c(c1)C(C)C
Show InChI InChI=1S/C24H25NO7S/c1-14(2)18-11-17(30-4)12-20-21(18)23(26)25(33(20,28)29)13-31-22-15(3)32-24(27)19(22)10-16-8-6-5-7-9-16/h5-9,11-12,14-15H,10,13H2,1-4H3
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0.0160n/an/an/an/an/an/an/an/a



Sterling Winthrop Pharmaceuticals Research Division

Curated by ChEMBL


Assay Description
Potency of inhibition of human leukocyte elastase is expressed as apparent binding constant


J Med Chem 38: 4687-92 (1995)


Article DOI: 10.1021/jm00023a008
BindingDB Entry DOI: 10.7270/Q2KP816X
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50029710
PNG
(4-Isopropyl-6-methoxy-2-(2-methyl-5-oxo-4-phenyl-2...)
Show SMILES COc1cc2c(C(=O)N(COC3=C(C(=O)OC3C)c3ccccc3)S2(=O)=O)c(c1)C(C)C
Show InChI InChI=1S/C23H23NO7S/c1-13(2)17-10-16(29-4)11-18-20(17)22(25)24(32(18,27)28)12-30-21-14(3)31-23(26)19(21)15-8-6-5-7-9-15/h5-11,13-14H,12H2,1-4H3
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0.0210n/an/an/an/an/an/an/an/a



Sterling Winthrop Pharmaceuticals Research Division

Curated by ChEMBL


Assay Description
Potency of inhibition of human leukocyte elastase is expressed as apparent binding constant


J Med Chem 38: 4687-92 (1995)


Article DOI: 10.1021/jm00023a008
BindingDB Entry DOI: 10.7270/Q2KP816X
More data for this
Ligand-Target Pair
Alpha-chymotrypsin


(Bos taurus (bovine))
BDBM50034580
PNG
(CHEMBL418050 | Peptide boronate)
Show SMILES CC1(C)C2CC1[C@]1(C)OB(O[C@@H]1C2)C(Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)OCc1ccccc1)C(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C46H52BN3O6/c1-45(2)35-28-37(45)46(3)38(29-35)55-47(56-46)39(27-31-17-8-4-9-18-31)48-42(51)36-25-16-26-50(36)43(52)41(49-44(53)54-30-32-19-10-5-11-20-32)40(33-21-12-6-13-22-33)34-23-14-7-15-24-34/h4-15,17-24,35-41H,16,25-30H2,1-3H3,(H,48,51)(H,49,53)/t35?,36-,37?,38+,39?,41-,46-/m0/s1
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0.0210n/an/an/an/an/an/an/an/a



Thrombosis Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against Chymotrypsin


J Med Chem 38: 1511-22 (1995)


Article DOI: 10.1021/jm00009a012
BindingDB Entry DOI: 10.7270/Q2QR4W57
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50285289
PNG
(2,6-Dichloro-3-(2-morpholin-4-yl-ethoxy)-benzoic a...)
Show SMILES CCOc1cc(OC)cc2c1C(=O)N(COC(=O)c1c(Cl)ccc(OCCN3CCOCC3)c1Cl)S2(=O)=O
Show InChI InChI=1S/C24H26Cl2N2O9S/c1-3-35-18-12-15(33-2)13-19-21(18)23(29)28(38(19,31)32)14-37-24(30)20-16(25)4-5-17(22(20)26)36-11-8-27-6-9-34-10-7-27/h4-5,12-13H,3,6-11,14H2,1-2H3
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0.0220n/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))
BDBM50029699
PNG
(2,6-Dichloro-benzoic acid 4-isopropyl-6-methoxy-1,...)
Show SMILES COc1cc2c(C(=O)N(COC(=O)c3c(Cl)cccc3Cl)S2(=O)=O)c(c1)C(C)C
Show InChI InChI=1S/C19H17Cl2NO6S/c1-10(2)12-7-11(27-3)8-15-16(12)18(23)22(29(15,25)26)9-28-19(24)17-13(20)5-4-6-14(17)21/h4-8,10H,9H2,1-3H3
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0.0230n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Evaluated for inhibitory activity against Human leukocyte elastase (HLE)


Bioorg Med Chem Lett 5: 331-336 (1995)


Article DOI: 10.1016/0960-894X(95)00030-W
BindingDB Entry DOI: 10.7270/Q2SX6D60
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50029699
PNG
(2,6-Dichloro-benzoic acid 4-isopropyl-6-methoxy-1,...)
Show SMILES COc1cc2c(C(=O)N(COC(=O)c3c(Cl)cccc3Cl)S2(=O)=O)c(c1)C(C)C
Show InChI InChI=1S/C19H17Cl2NO6S/c1-10(2)12-7-11(27-3)8-15-16(12)18(23)22(29(15,25)26)9-28-19(24)17-13(20)5-4-6-14(17)21/h4-8,10H,9H2,1-3H3
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0.0230n/an/an/an/an/an/an/an/a



Sterling Winthrop Pharmaceuticals Research Division

Curated by ChEMBL


Assay Description
Potency of inhibition of human leukocyte elastase is expressed as apparent binding constant


J Med Chem 38: 4687-92 (1995)


Article DOI: 10.1021/jm00023a008
BindingDB Entry DOI: 10.7270/Q2KP816X
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50095523
PNG
(CHEMBL285231 | [(S)-2-methyl-1-((S)-2-{(S)-2-methy...)
Show SMILES CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)c1nnc(Cc2cccc(C)c2)o1
Show InChI InChI=1S/C33H41N5O6/c1-20(2)27(29(39)31-37-36-26(44-31)18-24-14-9-11-22(5)17-24)34-30(40)25-15-10-16-38(25)32(41)28(21(3)4)35-33(42)43-19-23-12-7-6-8-13-23/h6-9,11-14,17,20-21,25,27-28H,10,15-16,18-19H2,1-5H3,(H,34,40)(H,35,42)/t25-,27-,28-/m0/s1
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0.0250n/an/an/an/an/an/an/an/a



Cortech, Inc.

Curated by ChEMBL


Assay Description
Binding constant derived from inhibition of elastase catalyzed hydrolysis of synthetic substrate


J Med Chem 44: 1268-85 (2001)


Article DOI: 10.1021/jm000410y
BindingDB Entry DOI: 10.7270/Q2B858VW
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50095523
PNG
(CHEMBL285231 | [(S)-2-methyl-1-((S)-2-{(S)-2-methy...)
Show SMILES CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)c1nnc(Cc2cccc(C)c2)o1
Show InChI InChI=1S/C33H41N5O6/c1-20(2)27(29(39)31-37-36-26(44-31)18-24-14-9-11-22(5)17-24)34-30(40)25-15-10-16-38(25)32(41)28(21(3)4)35-33(42)43-19-23-12-7-6-8-13-23/h6-9,11-14,17,20-21,25,27-28H,10,15-16,18-19H2,1-5H3,(H,34,40)(H,35,42)/t25-,27-,28-/m0/s1
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0.0250n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibition of human neutrophil elastase


Bioorg Med Chem 16: 1562-95 (2008)


Article DOI: 10.1016/j.bmc.2007.11.015
BindingDB Entry DOI: 10.7270/Q21J9BNH
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50095523
PNG
(CHEMBL285231 | [(S)-2-methyl-1-((S)-2-{(S)-2-methy...)
Show SMILES CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)c1nnc(Cc2cccc(C)c2)o1
Show InChI InChI=1S/C33H41N5O6/c1-20(2)27(29(39)31-37-36-26(44-31)18-24-14-9-11-22(5)17-24)34-30(40)25-15-10-16-38(25)32(41)28(21(3)4)35-33(42)43-19-23-12-7-6-8-13-23/h6-9,11-14,17,20-21,25,27-28H,10,15-16,18-19H2,1-5H3,(H,34,40)(H,35,42)/t25-,27-,28-/m0/s1
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0.0250n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human neutrophil elastase


J Med Chem 54: 2529-91 (2011)


Article DOI: 10.1021/jm1013693
BindingDB Entry DOI: 10.7270/Q24M95PH
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50029717
PNG
(2-(3-Chloro-6-methyl-2-oxo-2H-pyran-4-yloxymethyl)...)
Show SMILES COc1cc2c(C(=O)N(COc3cc(C)oc(=O)c3Cl)S2(=O)=O)c(c1)C(C)C
Show InChI InChI=1S/C18H18ClNO7S/c1-9(2)12-6-11(25-4)7-14-15(12)17(21)20(28(14,23)24)8-26-13-5-10(3)27-18(22)16(13)19/h5-7,9H,8H2,1-4H3
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0.0250n/an/an/an/an/an/an/an/a



Sterling Winthrop Pharmaceuticals Research Division

Curated by ChEMBL


Assay Description
Potency of inhibition of human leukocyte elastase is expressed as apparent binding constant


J Med Chem 38: 4687-92 (1995)


Article DOI: 10.1021/jm00023a008
BindingDB Entry DOI: 10.7270/Q2KP816X
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50029698
PNG
(4-Isopropyl-6-methoxy-1,1-dioxo-2-(5-oxo-4-phenyl-...)
Show SMILES COc1cc2c(C(=O)N(COC3=C(C(=O)OC3)c3ccccc3)S2(=O)=O)c(c1)C(C)C
Show InChI InChI=1S/C22H21NO7S/c1-13(2)16-9-15(28-3)10-18-20(16)21(24)23(31(18,26)27)12-30-17-11-29-22(25)19(17)14-7-5-4-6-8-14/h4-10,13H,11-12H2,1-3H3
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0.0250n/an/an/an/an/an/an/an/a



Sterling Winthrop Pharmaceuticals Research Division

Curated by ChEMBL


Assay Description
Potency of inhibition of human leukocyte elastase is expressed as apparent binding constant


J Med Chem 38: 4687-92 (1995)


Article DOI: 10.1021/jm00023a008
BindingDB Entry DOI: 10.7270/Q2KP816X
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50095523
PNG
(CHEMBL285231 | [(S)-2-methyl-1-((S)-2-{(S)-2-methy...)
Show SMILES CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)c1nnc(Cc2cccc(C)c2)o1
Show InChI InChI=1S/C33H41N5O6/c1-20(2)27(29(39)31-37-36-26(44-31)18-24-14-9-11-22(5)17-24)34-30(40)25-15-10-16-38(25)32(41)28(21(3)4)35-33(42)43-19-23-12-7-6-8-13-23/h6-9,11-14,17,20-21,25,27-28H,10,15-16,18-19H2,1-5H3,(H,34,40)(H,35,42)/t25-,27-,28-/m0/s1
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0.0250n/an/an/an/an/an/an/an/a



Colorado State University

Curated by ChEMBL


Assay Description
Inhibition of human neutrophil elastase HNE, hydrolysis of MeO-Suc-Ala-Ala-Pro-Val-pNa


J Med Chem 43: 4927-9 (2001)


Article DOI: 10.1021/jm0004087
BindingDB Entry DOI: 10.7270/Q25D8R3S
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50029696
PNG
(2-(3-Benzoyl-6-methyl-2-oxo-2H-pyran-4-yloxymethyl...)
Show SMILES COc1cc2c(C(=O)N(COc3cc(C)oc(=O)c3C(=O)c3ccccc3)S2(=O)=O)c(c1)C(C)C
Show InChI InChI=1S/C25H23NO8S/c1-14(2)18-11-17(32-4)12-20-21(18)24(28)26(35(20,30)31)13-33-19-10-15(3)34-25(29)22(19)23(27)16-8-6-5-7-9-16/h5-12,14H,13H2,1-4H3
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0.0270n/an/an/an/an/an/an/an/a



Sterling Winthrop Pharmaceuticals Research Division

Curated by ChEMBL


Assay Description
Potency of inhibition of human leukocyte elastase is expressed as apparent binding constant


J Med Chem 38: 4687-92 (1995)


Article DOI: 10.1021/jm00023a008
BindingDB Entry DOI: 10.7270/Q2KP816X
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50039631
PNG
(2,6-Dichloro-benzoic acid 4-isopropyl-1,1,3-trioxo...)
Show SMILES CC(C)c1cccc2c1C(=O)N(COC(=O)c1c(Cl)cccc1Cl)S2(=O)=O
Show InChI InChI=1S/C18H15Cl2NO5S/c1-10(2)11-5-3-8-14-15(11)17(22)21(27(14,24)25)9-26-18(23)16-12(19)6-4-7-13(16)20/h3-8,10H,9H2,1-2H3
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0.0300n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ratio of Kreact to that of Kinact was determined on human leukocyte elastase(HLE)


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))
BDBM50286326
PNG
(2,6-Dichloro-benzoic acid 6-fluoro-4-isopropyl-1,1...)
Show SMILES CC(C)c1cc(F)cc2c1C(=O)N(COC(=O)c1c(Cl)cccc1Cl)S2(=O)=O
Show InChI InChI=1S/C18H14Cl2FNO5S/c1-9(2)11-6-10(21)7-14-15(11)17(23)22(28(14,25)26)8-27-18(24)16-12(19)4-3-5-13(16)20/h3-7,9H,8H2,1-2H3
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0.0300n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Evaluated for inhibitory activity against Human leukocyte elastase (HLE)


Bioorg Med Chem Lett 5: 331-336 (1995)


Article DOI: 10.1016/0960-894X(95)00030-W
BindingDB Entry DOI: 10.7270/Q2SX6D60
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50039631
PNG
(2,6-Dichloro-benzoic acid 4-isopropyl-1,1,3-trioxo...)
Show SMILES CC(C)c1cccc2c1C(=O)N(COC(=O)c1c(Cl)cccc1Cl)S2(=O)=O
Show InChI InChI=1S/C18H15Cl2NO5S/c1-10(2)11-5-3-8-14-15(11)17(22)21(27(14,24)25)9-26-18(23)16-12(19)6-4-7-13(16)20/h3-8,10H,9H2,1-2H3
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0.0300n/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)


Article DOI: 10.1021/jm00043a001
BindingDB Entry DOI: 10.7270/Q2ST7QGN
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50039631
PNG
(2,6-Dichloro-benzoic acid 4-isopropyl-1,1,3-trioxo...)
Show SMILES CC(C)c1cccc2c1C(=O)N(COC(=O)c1c(Cl)cccc1Cl)S2(=O)=O
Show InChI InChI=1S/C18H15Cl2NO5S/c1-10(2)11-5-3-8-14-15(11)17(22)21(27(14,24)25)9-26-18(23)16-12(19)6-4-7-13(16)20/h3-8,10H,9H2,1-2H3
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0.0300n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Evaluated for inhibitory activity against Human leukocyte elastase (HLE)


Bioorg Med Chem Lett 5: 331-336 (1995)


Article DOI: 10.1016/0960-894X(95)00030-W
BindingDB Entry DOI: 10.7270/Q2SX6D60
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50029712
PNG
(2-(4-Chloro-5-oxo-2,5-dihydro-furan-3-yloxymethyl)...)
Show SMILES COc1cc2c(C(=O)N(COC3=C(Cl)C(=O)OC3)S2(=O)=O)c(c1)C(C)C
Show InChI InChI=1S/C16H16ClNO7S/c1-8(2)10-4-9(23-3)5-12-13(10)15(19)18(26(12,21)22)7-25-11-6-24-16(20)14(11)17/h4-5,8H,6-7H2,1-3H3
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0.0300n/an/an/an/an/an/an/an/a



Sterling Winthrop Pharmaceuticals Research Division

Curated by ChEMBL


Assay Description
Potency of inhibition of human leukocyte elastase is expressed as apparent binding constant


J Med Chem 38: 4687-92 (1995)


Article DOI: 10.1021/jm00023a008
BindingDB Entry DOI: 10.7270/Q2KP816X
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50039631
PNG
(2,6-Dichloro-benzoic acid 4-isopropyl-1,1,3-trioxo...)
Show SMILES CC(C)c1cccc2c1C(=O)N(COC(=O)c1c(Cl)cccc1Cl)S2(=O)=O
Show InChI InChI=1S/C18H15Cl2NO5S/c1-10(2)11-5-3-8-14-15(11)17(22)21(27(14,24)25)9-26-18(23)16-12(19)6-4-7-13(16)20/h3-8,10H,9H2,1-2H3
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0.0302n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Observed binding affinity against Human leukocyte elastase (HLE)


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))
BDBM50029713
PNG
(4-Isopropyl-6-methoxy-1,1-dioxo-2-(3-oxo-cyclobut-...)
Show SMILES COc1cc2c(C(=O)N(COC3=CC(=O)C3)S2(=O)=O)c(c1)C(C)C
Show InChI InChI=1S/C16H17NO6S/c1-9(2)13-6-11(22-3)7-14-15(13)16(19)17(24(14,20)21)8-23-12-4-10(18)5-12/h4,6-7,9H,5,8H2,1-3H3
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0.0330n/an/an/an/an/an/an/an/a



Sterling Winthrop Pharmaceuticals Research Division

Curated by ChEMBL


Assay Description
Potency of inhibition of human leukocyte elastase is expressed as apparent binding constant


J Med Chem 38: 4687-92 (1995)


Article DOI: 10.1021/jm00023a008
BindingDB Entry DOI: 10.7270/Q2KP816X
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50029691
PNG
(2-(2-Benzyl-3-oxo-cyclopent-1-enyloxymethyl)-4-iso...)
Show SMILES COc1cc2c(C(=O)N(COC3=C(Cc4ccccc4)C(=O)CC3)S2(=O)=O)c(c1)C(C)C
Show InChI InChI=1S/C24H25NO6S/c1-15(2)18-12-17(30-3)13-22-23(18)24(27)25(32(22,28)29)14-31-21-10-9-20(26)19(21)11-16-7-5-4-6-8-16/h4-8,12-13,15H,9-11,14H2,1-3H3
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0.0340n/an/an/an/an/an/an/an/a



Sterling Winthrop Pharmaceuticals Research Division

Curated by ChEMBL


Assay Description
Potency of inhibition of human leukocyte elastase is expressed as apparent binding constant


J Med Chem 38: 4687-92 (1995)


Article DOI: 10.1021/jm00023a008
BindingDB Entry DOI: 10.7270/Q2KP816X
More data for this
Ligand-Target Pair
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