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Compile Data Set for Download or QSAR

Found 203 hits of koff 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))
BDBM50118029
PNG
(3-Isopropyl-1-methanesulfonyl-4-(4-piperidin-1-yl-...)
Show SMILES Cl.CC(C)[C@H]1[C@H]2[C@@H](CCN2C(=O)\C=C\CN2CCCCC2)N(C1=O)S(C)(=O)=O
Show InChI InChI=1S/C19H31N3O4S/c1-14(2)17-18-15(22(19(17)24)27(3,25)26)9-13-21(18)16(23)8-7-12-20-10-5-4-6-11-20/h7-8,14-15,17-18H,4-6,9-13H2,1-3H3/b8-7+/t15-,17+,18-/m1/s1
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0.310n/an/an/an/a 0.00000207 6.63E+3n/an/a



GSK

Curated by ChEMBL


Assay Description
The compound was evaluated for its inhibitory activity against human neutrophil elastase (HNE) using whole blood assay


Citation and Details
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50406217
PNG
(CHEMBL145002)
Show SMILES CCOc1nc2c(C)ccc(C)c2c(=O)o1
Show InChI InChI=1S/C12H13NO3/c1-4-15-12-13-10-8(3)6-5-7(2)9(10)11(14)16-12/h5-6H,4H2,1-3H3
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0.100n/an/an/an/a 0.00000617 6.46E+4n/an/a



Syntex Research

Curated by ChEMBL


Assay Description
Component deacylation rate constant for interaction with human leukocyte elastase


Citation and Details
Checked by Author
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50406216
PNG
(CHEMBL146003)
Show SMILES CC(C)Nc1nc2c(C)ccc(C)c2c(=O)o1
Show InChI InChI=1S/C13H16N2O2/c1-7(2)14-13-15-11-9(4)6-5-8(3)10(11)12(16)17-13/h5-7H,1-4H3,(H,14,15)
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6.31n/an/an/an/a 0.00000871 1.32E+3n/an/a



Syntex Research

Curated by ChEMBL


Assay Description
Component deacylation rate constant for interaction with human leukocyte elastase


Citation and Details
Checked by Author
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50118027
PNG
(4-[1-(2,2-Dimethyl-propyl)-azetidine-3-carbonyl]-3...)
Show SMILES CC(C)[C@H]1[C@H]2[C@@H](CCN2C(=O)C2CN(CC(C)(C)C)C2)N(C1=O)S(C)(=O)=O
Show InChI InChI=1S/C19H33N3O4S/c1-12(2)15-16-14(22(18(15)24)27(6,25)26)7-8-21(16)17(23)13-9-20(10-13)11-19(3,4)5/h12-16H,7-11H2,1-6H3/t14-,15+,16-/m1/s1
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1.73n/an/an/an/a 0.0000109 6.31E+3n/an/a



GSK

Curated by ChEMBL


Assay Description
The compound was evaluated for its inhibitory activity against human neutrophil elastase (HNE) using whole blood assay


Citation and Details
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50406221
PNG
(CHEMBL145729)
Show SMILES CC(C)COc1nc2cccc(C)c2c(=O)o1
Show InChI InChI=1S/C13H15NO3/c1-8(2)7-16-13-14-10-6-4-5-9(3)11(10)12(15)17-13/h4-6,8H,7H2,1-3H3
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1.58n/an/an/an/a 0.0000112 7.08E+3n/an/a



Syntex Research

Curated by ChEMBL


Assay Description
Component deacylation rate constant for interaction with human leukocyte elastase


Citation and Details
Checked by Author
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50288087
PNG
(2-Ethoxy-5-methyl-benzo[d][1,3]oxazin-4-one | CHEM...)
Show SMILES CCOc1nc2cccc(C)c2c(=O)o1
Show InChI InChI=1S/C11H11NO3/c1-3-14-11-12-8-6-4-5-7(2)9(8)10(13)15-11/h4-6H,3H2,1-2H3
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0.126n/an/an/an/a 0.0000117 1.02E+5n/an/a



Syntex Research

Curated by ChEMBL


Assay Description
Component deacylation rate constant for interaction with human leukocyte elastase


Citation and Details
Checked by Author
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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n/an/an/an/an/a 0.0000120n/an/an/a



TBA

Curated by ChEMBL




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

More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50029703
PNG
(4-Isopropyl-6-methoxy-1,1-dioxo-2-(1-phenyl-1H-tet...)
Show SMILES COc1cc2c(C(=O)N(CSc3nnnn3-c3ccccc3)S2(=O)=O)c(c1)C(C)C
Show InChI InChI=1S/C19H19N5O4S2/c1-12(2)15-9-14(28-3)10-16-17(15)18(25)23(30(16,26)27)11-29-19-20-21-22-24(19)13-7-5-4-6-8-13/h4-10,12H,11H2,1-3H3
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n/an/an/an/an/a 0.0000120 4.45E+4n/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)

More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50406306
PNG
(CHEMBL145107)
Show SMILES CCN(CC)c1nc2c(C)ccc(C)c2c(=O)o1
Show InChI InChI=1S/C14H18N2O2/c1-5-16(6-2)14-15-12-10(4)8-7-9(3)11(12)13(17)18-14/h7-8H,5-6H2,1-4H3
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100n/an/an/an/a 0.0000138 132n/an/a



Syntex Research

Curated by ChEMBL


Assay Description
Component deacylation rate constant for interaction with human leukocyte elastase


Citation and Details
Checked by Author
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50406226
PNG
(CHEMBL342522)
Show SMILES CCOc1nc2cc(ccc2c(=O)o1)N(C)C
Show InChI InChI=1S/C12H14N2O3/c1-4-16-12-13-10-7-8(14(2)3)5-6-9(10)11(15)17-12/h5-7H,4H2,1-3H3
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5.01n/an/an/an/a 0.0000141 2.88E+3n/an/a



Syntex Research

Curated by ChEMBL


Assay Description
Component deacylation rate constant for interaction with human leukocyte elastase


Citation and Details
Checked by Author
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50288098
PNG
(2-Ethoxy-5-ethyl-benzo[d][1,3]oxazin-4-one | CHEMB...)
Show SMILES CCOc1nc2cccc(CC)c2c(=O)o1
Show InChI InChI=1S/C12H13NO3/c1-3-8-6-5-7-9-10(8)11(14)16-12(13-9)15-4-2/h5-7H,3-4H2,1-2H3
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0.100n/an/an/an/a 0.0000145 3.39E+5n/an/a



Syntex Research

Curated by ChEMBL


Assay Description
Component deacylation rate constant for interaction with human leukocyte elastase


Citation and Details
Checked by Author
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50406208
PNG
(CHEMBL146004)
Show SMILES CC(C)Nc1nc2cc(C)cc(C)c2c(=O)o1
Show InChI InChI=1S/C13H16N2O2/c1-7(2)14-13-15-10-6-8(3)5-9(4)11(10)12(16)17-13/h5-7H,1-4H3,(H,14,15)
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6.31n/an/an/an/a 0.0000151 2.57E+3n/an/a



Syntex Research

Curated by ChEMBL


Assay Description
Component deacylation rate constant for interaction with human leukocyte elastase


Citation and Details
Checked by Author
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50286331
PNG
(4,7-Dimethoxy-1,1-dioxo-2-(1-phenyl-1H-tetrazol-5-...)
Show SMILES COc1ccc(OC)c2c1C(=O)N(CSc1nnnn1-c1ccccc1)S2(=O)=O
Show InChI InChI=1S/C17H15N5O5S2/c1-26-12-8-9-13(27-2)15-14(12)16(23)21(29(15,24)25)10-28-17-18-19-20-22(17)11-6-4-3-5-7-11/h3-9H,10H2,1-2H3
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n/an/an/an/an/a 0.0000160 1.10E+3n/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)

More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50063719
PNG
(2-Isopropylamino-5-methyl-benzo[d][1,3]oxazin-4-on...)
Show SMILES CC(C)Nc1nc2cccc(C)c2c(=O)o1
Show InChI InChI=1S/C12H14N2O2/c1-7(2)13-12-14-9-6-4-5-8(3)10(9)11(15)16-12/h4-7H,1-3H3,(H,13,14)
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1.58n/an/an/an/a 0.0000178 1.18E+4n/an/a



Syntex Research

Curated by ChEMBL


Assay Description
Component deacylation rate constant for interaction with human leukocyte elastase


Citation and Details
Checked by Author
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50406206
PNG
(CHEMBL145152)
Show SMILES CC(C)Nc1nc2cc(N)cc(C)c2c(=O)o1
Show InChI InChI=1S/C12H15N3O2/c1-6(2)14-12-15-9-5-8(13)4-7(3)10(9)11(16)17-12/h4-6H,13H2,1-3H3,(H,14,15)
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79.4n/an/an/an/a 0.0000178 229n/an/a



Syntex Research

Curated by ChEMBL


Assay Description
Component deacylation rate constant for interaction with human leukocyte elastase


Citation and Details
Checked by Author
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50063719
PNG
(2-Isopropylamino-5-methyl-benzo[d][1,3]oxazin-4-on...)
Show SMILES CC(C)Nc1nc2cccc(C)c2c(=O)o1
Show InChI InChI=1S/C12H14N2O2/c1-7(2)13-12-14-9-6-4-5-8(3)10(9)11(15)16-12/h4-7H,1-3H3,(H,13,14)
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n/an/an/an/an/a 0.0000180n/an/an/a



TBA

Curated by ChEMBL


Assay Description
Rate of deacylation by human leukocyte elastase


J Med Chem 30: 589-591 (1987)

More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50406240
PNG
(CHEMBL347760)
Show SMILES CCOc1nc2cc(OC)cc(C)c2c(=O)o1
Show InChI InChI=1S/C12H13NO4/c1-4-16-12-13-9-6-8(15-3)5-7(2)10(9)11(14)17-12/h5-6H,4H2,1-3H3
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0.398n/an/an/an/a 0.0000182 4.57E+4n/an/a



Syntex Research

Curated by ChEMBL


Assay Description
Component deacylation rate constant for interaction with human leukocyte elastase


Citation and Details
Checked by Author
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50406244
PNG
(CHEMBL444082)
Show SMILES Cc1cccc2nc(NCC(C)(C)C)oc(=O)c12
Show InChI InChI=1S/C14H18N2O2/c1-9-6-5-7-10-11(9)12(17)18-13(16-10)15-8-14(2,3)4/h5-7H,8H2,1-4H3,(H,15,16)
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251n/an/an/an/a 0.0000182 75.9n/an/a



Syntex Research

Curated by ChEMBL


Assay Description
Component deacylation rate constant for interaction with human leukocyte elastase


Citation and Details
Checked by Author
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50406212
PNG
(CHEMBL357238)
Show SMILES COC(=O)[C@H](CC(C)C)Nc1nc2cc(C)cc(C)c2c(=O)o1
Show InChI InChI=1S/C17H22N2O4/c1-9(2)6-13(15(20)22-5)19-17-18-12-8-10(3)7-11(4)14(12)16(21)23-17/h7-9,13H,6H2,1-5H3,(H,18,19)/t13-/m0/s1
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1.26E+3n/an/an/an/a 0.0000200 15.8n/an/a



Syntex Research

Curated by ChEMBL


Assay Description
Component deacylation rate constant for interaction with human leukocyte elastase


Citation and Details
Checked by Author
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50406303
PNG
(CHEMBL145690)
Show SMILES CCCCN(CCCC)c1nc2cccc(C)c2c(=O)o1
Show InChI InChI=1S/C17H24N2O2/c1-4-6-11-19(12-7-5-2)17-18-14-10-8-9-13(3)15(14)16(20)21-17/h8-10H,4-7,11-12H2,1-3H3
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398n/an/an/an/a 0.0000240 66.1n/an/a



Syntex Research

Curated by ChEMBL


Assay Description
Component deacylation rate constant for interaction with human leukocyte elastase


Citation and Details
Checked by Author
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50286329
PNG
(2,6-Dichloro-benzoic acid 4-isopropyl-6-(4-methyl-...)
Show SMILES CC(C)c1cc(cc2c1C(=O)N(COC(=O)c1c(Cl)cccc1Cl)S2(=O)=O)N1CCN(C)CC1
Show InChI InChI=1S/C23H25Cl2N3O5S/c1-14(2)16-11-15(27-9-7-26(3)8-10-27)12-19-20(16)22(29)28(34(19,31)32)13-33-23(30)21-17(24)5-4-6-18(21)25/h4-6,11-12,14H,7-10,13H2,1-3H3
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n/an/an/an/an/a 0.0000240 2.15E+4n/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)

More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50286329
PNG
(2,6-Dichloro-benzoic acid 4-isopropyl-6-(4-methyl-...)
Show SMILES CC(C)c1cc(cc2c1C(=O)N(COC(=O)c1c(Cl)cccc1Cl)S2(=O)=O)N1CCN(C)CC1
Show InChI InChI=1S/C23H25Cl2N3O5S/c1-14(2)16-11-15(27-9-7-26(3)8-10-27)12-19-20(16)22(29)28(34(19,31)32)13-33-23(30)21-17(24)5-4-6-18(21)25/h4-6,11-12,14H,7-10,13H2,1-3H3
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n/an/an/an/an/a 0.0000240n/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)

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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n/an/an/an/an/a 0.0000270n/an/an/a



TBA

Curated by ChEMBL




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

More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50286328
PNG
(2,6-Dichloro-benzoic acid 6-dimethylamino-4-isopro...)
Show SMILES CC(C)c1cc(cc2c1C(=O)N(COC(=O)c1c(Cl)cccc1Cl)S2(=O)=O)N(C)C
Show InChI InChI=1S/C20H20Cl2N2O5S/c1-11(2)13-8-12(23(3)4)9-16-17(13)19(25)24(30(16,27)28)10-29-20(26)18-14(21)6-5-7-15(18)22/h5-9,11H,10H2,1-4H3
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n/an/an/an/an/a 0.0000270n/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)

More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50282874
PNG
(4-Isopropyl-1,1-dioxo-2-(1-phenyl-1H-tetrazol-5-yl...)
Show SMILES CC(C)c1cccc2c1C(=O)N(CSc1nnnn1-c1ccccc1)S2(=O)=O
Show InChI InChI=1S/C18H17N5O3S2/c1-12(2)14-9-6-10-15-16(14)17(24)22(28(15,25)26)11-27-18-19-20-21-23(18)13-7-4-3-5-8-13/h3-10,12H,11H2,1-2H3
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n/an/an/an/an/a 0.0000280 9.40E+4n/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)

More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50282874
PNG
(4-Isopropyl-1,1-dioxo-2-(1-phenyl-1H-tetrazol-5-yl...)
Show SMILES CC(C)c1cccc2c1C(=O)N(CSc1nnnn1-c1ccccc1)S2(=O)=O
Show InChI InChI=1S/C18H17N5O3S2/c1-12(2)14-9-6-10-15-16(14)17(24)22(28(15,25)26)11-27-18-19-20-21-23(18)13-7-4-3-5-8-13/h3-10,12H,11H2,1-2H3
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n/an/an/an/an/a 0.0000280n/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)

More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50406273
PNG
(CHEMBL145471)
Show SMILES CCc1cc(N)cc2nc(NC(C)C)oc(=O)c12
Show InChI InChI=1S/C13H17N3O2/c1-4-8-5-9(14)6-10-11(8)12(17)18-13(16-10)15-7(2)3/h5-7H,4,14H2,1-3H3,(H,15,16)
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15.8n/an/an/an/a 0.0000282 1.66E+3n/an/a



Syntex Research

Curated by ChEMBL


Assay Description
Component deacylation rate constant for interaction with human leukocyte elastase


Citation and Details
Checked by Author
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50286327
PNG
(4,6-Dimethoxy-1,1-dioxo-2-(1-phenyl-1H-tetrazol-5-...)
Show SMILES COc1cc2c(C(=O)N(CSc3nnnn3-c3ccccc3)S2(=O)=O)c(OC)c1
Show InChI InChI=1S/C17H15N5O5S2/c1-26-12-8-13(27-2)15-14(9-12)29(24,25)21(16(15)23)10-28-17-18-19-20-22(17)11-6-4-3-5-7-11/h3-9H,10H2,1-2H3
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n/an/an/an/an/a 0.0000290n/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)

More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50286327
PNG
(4,6-Dimethoxy-1,1-dioxo-2-(1-phenyl-1H-tetrazol-5-...)
Show SMILES COc1cc2c(C(=O)N(CSc3nnnn3-c3ccccc3)S2(=O)=O)c(OC)c1
Show InChI InChI=1S/C17H15N5O5S2/c1-26-12-8-13(27-2)15-14(9-12)29(24,25)21(16(15)23)10-28-17-18-19-20-22(17)11-6-4-3-5-7-11/h3-9H,10H2,1-2H3
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n/an/an/an/an/a 0.0000290 4.90E+4n/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)

More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50064322
PNG
((4-Oxo-5,6,7,8-tetrahydro-4H-benzo[4,5]thieno[2,3-...)
Show SMILES COC(=O)CSc1nc2sc3CCCCc3c2c(=O)o1
Show InChI InChI=1S/C13H13NO4S2/c1-17-9(15)6-19-13-14-11-10(12(16)18-13)7-4-2-3-5-8(7)20-11/h2-6H2,1H3
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17.9n/an/an/an/a 0.0000292 1.63E+3n/an/a



University of Leipzig

Curated by ChEMBL


Assay Description
Steady state inhibition constant for Human Leukocyte Elastase inhibition


J Med Chem 41: 1729-40 (1998)

More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50064309
PNG
(2-Isobutoxy-5,6-dimethyl-thieno[2,3-d][1,3]oxazin-...)
Show SMILES CC(C)COc1nc2sc(C)c(C)c2c(=O)o1
Show InChI InChI=1S/C12H15NO3S/c1-6(2)5-15-12-13-10-9(11(14)16-12)7(3)8(4)17-10/h6H,5H2,1-4H3
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133n/an/an/an/a 0.0000292 219n/an/a



University of Leipzig

Curated by ChEMBL


Assay Description
Steady state inhibition constant for Human Leukocyte Elastase inhibition


J Med Chem 41: 1729-40 (1998)

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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n/an/an/an/an/a 0.0000300n/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)

More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50406258
PNG
(CHEMBL145568)
Show SMILES COC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](CC(C)C)Nc1nc2cc(C)cc(C)c2c(=O)o1
Show InChI InChI=1S/C23H33N3O5/c1-12(2)8-17(20(27)24-18(9-13(3)4)21(28)30-7)26-23-25-16-11-14(5)10-15(6)19(16)22(29)31-23/h10-13,17-18H,8-9H2,1-7H3,(H,24,27)(H,25,26)/t17-,18-/m1/s1
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100n/an/an/an/a 0.0000372 363n/an/a



Syntex Research

Curated by ChEMBL


Assay Description
Component deacylation rate constant for interaction with human leukocyte elastase


Citation and Details
Checked by Author
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50406196
PNG
(CHEMBL335798)
Show SMILES CC(C)N(C(C)C)c1nc2cccc(C)c2c(=O)o1
Show InChI InChI=1S/C15H20N2O2/c1-9(2)17(10(3)4)15-16-12-8-6-7-11(5)13(12)14(18)19-15/h6-10H,1-5H3
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398n/an/an/an/a 0.0000389 97.7n/an/a



Syntex Research

Curated by ChEMBL


Assay Description
Component deacylation rate constant for interaction with human leukocyte elastase


Citation and Details
Checked by Author
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50406290
PNG
(CHEMBL141707)
Show SMILES CCOc1nc2cc(N)ccc2c(=O)o1
Show InChI InChI=1S/C10H10N2O3/c1-2-14-10-12-8-5-6(11)3-4-7(8)9(13)15-10/h3-5H,2,11H2,1H3
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6.31n/an/an/an/a 0.0000436 7.59E+3n/an/a



Syntex Research

Curated by ChEMBL


Assay Description
Component deacylation rate constant for interaction with human leukocyte elastase


Citation and Details
Checked by Author
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50286333
PNG
(5,6-Dimethoxy-1,1-dioxo-2-(1-phenyl-1H-tetrazol-5-...)
Show SMILES CCCc1c2C(=O)N(CSc3nnnn3-c3ccccc3)S(=O)(=O)c2cc(OC)c1OC
Show InChI InChI=1S/C20H21N5O5S2/c1-4-8-14-17-16(11-15(29-2)18(14)30-3)32(27,28)24(19(17)26)12-31-20-21-22-23-25(20)13-9-6-5-7-10-13/h5-7,9-11H,4,8,12H2,1-3H3
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n/an/an/an/an/a 0.0000470n/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)

More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50064317
PNG
(2-Isobutoxy-5,6,7,8-tetrahydro-benzo[4,5]thieno[2,...)
Show SMILES CC(C)COc1nc2sc3CCCCc3c2c(=O)o1
Show InChI InChI=1S/C14H17NO3S/c1-8(2)7-17-14-15-12-11(13(16)18-14)9-5-3-4-6-10(9)19-12/h8H,3-7H2,1-2H3
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51n/an/an/an/a 0.0000515 1.01E+3n/an/a



University of Leipzig

Curated by ChEMBL


Assay Description
Steady state inhibition constant for Human Leukocyte Elastase inhibition


J Med Chem 41: 1729-40 (1998)

More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50406293
PNG
(CHEMBL356120)
Show SMILES CCOc1nc2cccc(C(C)C)c2c(=O)o1
Show InChI InChI=1S/C13H15NO3/c1-4-16-13-14-10-7-5-6-9(8(2)3)11(10)12(15)17-13/h5-8H,4H2,1-3H3
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0.100n/an/an/an/a 0.0000550 7.76E+5n/an/a



Syntex Research

Curated by ChEMBL


Assay Description
Component deacylation rate constant for interaction with human leukocyte elastase


Citation and Details
Checked by Author
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50282873
PNG
(4-sec-Butyl-1,1-dioxo-2-(1-phenyl-1H-tetrazol-5-yl...)
Show SMILES CCC(C)c1cccc2c1C(=O)N(CSc1nnnn1-c1ccccc1)S2(=O)=O
Show InChI InChI=1S/C19H19N5O3S2/c1-3-13(2)15-10-7-11-16-17(15)18(25)23(29(16,26)27)12-28-19-20-21-22-24(19)14-8-5-4-6-9-14/h4-11,13H,3,12H2,1-2H3
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n/an/an/an/an/a 0.0000560n/an/an/a



TBA

Curated by ChEMBL




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

More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50282873
PNG
(4-sec-Butyl-1,1-dioxo-2-(1-phenyl-1H-tetrazol-5-yl...)
Show SMILES CCC(C)c1cccc2c1C(=O)N(CSc1nnnn1-c1ccccc1)S2(=O)=O
Show InChI InChI=1S/C19H19N5O3S2/c1-3-13(2)15-10-7-11-16-17(15)18(25)23(29(16,26)27)12-28-19-20-21-22-24(19)14-8-5-4-6-9-14/h4-11,13H,3,12H2,1-2H3
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n/an/an/an/an/a 0.0000560 9.40E+4n/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)

More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50406285
PNG
(CHEMBL145583)
Show SMILES CCc1cccc2nc(N[C@@H](CC(C)C)C(=O)OC)oc(=O)c12
Show InChI InChI=1S/C17H22N2O4/c1-5-11-7-6-8-12-14(11)16(21)23-17(18-12)19-13(9-10(2)3)15(20)22-4/h6-8,10,13H,5,9H2,1-4H3,(H,18,19)/t13-/m0/s1
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12.6n/an/an/an/a 0.0000562 4.68E+3n/an/a



Syntex Research

Curated by ChEMBL


Assay Description
Component deacylation rate constant for interaction with human leukocyte elastase


Citation and Details
Checked by Author
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50286332
PNG
(4-Isopropyl-5,6-dimethoxy-1,1-dioxo-2-(1-phenyl-1H...)
Show SMILES COc1cc2c(C(=O)N(CSc3nnnn3-c3ccccc3)S2(=O)=O)c(C(C)C)c1OC
Show InChI InChI=1S/C20H21N5O5S2/c1-12(2)16-17-15(10-14(29-3)18(16)30-4)32(27,28)24(19(17)26)11-31-20-21-22-23-25(20)13-8-6-5-7-9-13/h5-10,12H,11H2,1-4H3
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n/an/an/an/an/a 0.0000610n/an/an/a



TBA

Curated by ChEMBL




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

More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50064308
PNG
(2-Diethylamino-5,6,7,8-tetrahydro-benzo[4,5]thieno...)
Show SMILES CCN(CC)c1nc2sc3CCCCc3c2c(=O)o1
Show InChI InChI=1S/C14H18N2O2S/c1-3-16(4-2)14-15-12-11(13(17)18-14)9-7-5-6-8-10(9)19-12/h3-8H2,1-2H3
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16.3n/an/an/an/a 0.0000612 3.75E+3n/an/a



University of Leipzig

Curated by ChEMBL


Assay Description
Steady state inhibition constant for Human Leukocyte Elastase inhibition


J Med Chem 41: 1729-40 (1998)

More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50064314
PNG
(5,6-Dimethyl-2-propoxy-thieno[2,3-d][1,3]oxazin-4-...)
Show SMILES CCCOc1nc2sc(C)c(C)c2c(=O)o1
Show InChI InChI=1S/C11H13NO3S/c1-4-5-14-11-12-9-8(10(13)15-11)6(2)7(3)16-9/h4-5H2,1-3H3
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4.02n/an/an/an/a 0.0000628 1.56E+4n/an/a



University of Leipzig

Curated by ChEMBL


Assay Description
Steady state inhibition constant for Human Leukocyte Elastase inhibition


J Med Chem 41: 1729-40 (1998)

More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50291760
PNG
(5-Ethyl-2-isopropylamino-benzo[d][1,3]oxazin-4-one...)
Show SMILES CCc1cccc2nc(NC(C)C)oc(=O)c12
Show InChI InChI=1S/C13H16N2O2/c1-4-9-6-5-7-10-11(9)12(16)17-13(15-10)14-8(2)3/h5-8H,4H2,1-3H3,(H,14,15)
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n/an/an/an/an/a 0.0000660n/an/an/a



TBA

Curated by ChEMBL


Assay Description
Rate of deacylation by human leukocyte elastase


J Med Chem 30: 589-591 (1987)

More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50406234
PNG
(CHEMBL145774)
Show SMILES CCOc1nc2cccc(\C=C\C)c2c(=O)o1
Show InChI InChI=1S/C13H13NO3/c1-3-6-9-7-5-8-10-11(9)12(15)17-13(14-10)16-4-2/h3,5-8H,4H2,1-2H3/b6-3+
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0.200n/an/an/an/a 0.0000661 3.47E+5n/an/a



Syntex Research

Curated by ChEMBL


Assay Description
Component deacylation rate constant for interaction with human leukocyte elastase


Citation and Details
Checked by Author
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50291760
PNG
(5-Ethyl-2-isopropylamino-benzo[d][1,3]oxazin-4-one...)
Show SMILES CCc1cccc2nc(NC(C)C)oc(=O)c12
Show InChI InChI=1S/C13H16N2O2/c1-4-9-6-5-7-10-11(9)12(16)17-13(15-10)14-8(2)3/h5-8H,4H2,1-3H3,(H,14,15)
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1n/an/an/an/a 0.0000661 7.08E+4n/an/a



Syntex Research

Curated by ChEMBL


Assay Description
Component deacylation rate constant for interaction with human leukocyte elastase


Citation and Details
Checked by Author
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50064323
PNG
(2-Benzylsulfanyl-5,6,7,8-tetrahydro-benzo[4,5]thie...)
Show SMILES O=c1oc(SCc2ccccc2)nc2sc3CCCCc3c12
Show InChI InChI=1S/C17H15NO2S2/c19-16-14-12-8-4-5-9-13(12)22-15(14)18-17(20-16)21-10-11-6-2-1-3-7-11/h1-3,6-7H,4-5,8-10H2
PDB
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Article
PubMed
290n/an/an/an/a 0.0000692 239n/an/a



University of Leipzig

Curated by ChEMBL


Assay Description
Steady state inhibition constant for Human Leukocyte Elastase inhibition


J Med Chem 41: 1729-40 (1998)

More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50282868
PNG
(1,1-Dioxo-2-(1-phenyl-1H-tetrazol-5-ylsulfanylmeth...)
Show SMILES CCCc1cccc2c1C(=O)N(CSc1nnnn1-c1ccccc1)S2(=O)=O
Show InChI InChI=1S/C18H17N5O3S2/c1-2-7-13-8-6-11-15-16(13)17(24)22(28(15,25)26)12-27-18-19-20-21-23(18)14-9-4-3-5-10-14/h3-6,8-11H,2,7,12H2,1H3
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n/an/an/an/an/a 0.0000700 1.00E+4n/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)

More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50282868
PNG
(1,1-Dioxo-2-(1-phenyl-1H-tetrazol-5-ylsulfanylmeth...)
Show SMILES CCCc1cccc2c1C(=O)N(CSc1nnnn1-c1ccccc1)S2(=O)=O
Show InChI InChI=1S/C18H17N5O3S2/c1-2-7-13-8-6-11-15-16(13)17(24)22(28(15,25)26)12-27-18-19-20-21-23(18)14-9-4-3-5-10-14/h3-6,8-11H,2,7,12H2,1H3
PDB
MMDB

Reactome pathway
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UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem
Article
n/an/an/an/an/a 0.0000700n/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)

More data for this
Ligand-Target Pair
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