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8 similar compounds to monomer 50286332

Compile data set for download or QSAR
Wt: 445.5
BDBM50029703
Wt: 401.4
BDBM50282866
Wt: 429.5
BDBM50282867
Wt: 443.5
BDBM50282869
Wt: 429.5
BDBM50282873
Wt: 415.4
BDBM50282874
Wt: 433.4
BDBM50286330
Wt: 475.5
BDBM50286333

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 48 hits for monomerid = 50029703,50282866,50282867,50282869,50282873,50282874,50286330,50286333   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
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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0.200n/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))
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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PubMed
0.270n/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))
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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0.270n/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))
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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0.270n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Apparent binding constant Ki=Kon/Koff


Bioorg Med Chem Lett 6: 2941-2946 (1996)


Article DOI: 10.1016/S0960-894X(96)00553-7
BindingDB Entry DOI: 10.7270/Q2KP825W
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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0.270n/an/an/an/an/a 4.45E+4n/an/a



TBA

Curated by ChEMBL


Assay Description
Apparent binding constant Ki=Kon/Koff


Bioorg Med Chem Lett 6: 2941-2946 (1996)


Article DOI: 10.1016/S0960-894X(96)00553-7
BindingDB Entry DOI: 10.7270/Q2KP825W
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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0.300n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ratio of Koff to that of Kon was determined on 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))
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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0.300n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Potency of Inhibition of human leukocyte elastase (HLE) expressed as apparent binding constant


Bioorg Med Chem Lett 4: 1801-1806 (1994)


Article DOI: 10.1016/S0960-894X(01)80374-7
BindingDB Entry DOI: 10.7270/Q25M65PP
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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0.300n/an/an/an/an/a 9.40E+4n/an/a



TBA

Curated by ChEMBL


Assay Description
Apparent binding constant Ki=Kon/Koff


Bioorg Med Chem Lett 6: 2941-2946 (1996)


Article DOI: 10.1016/S0960-894X(96)00553-7
BindingDB Entry DOI: 10.7270/Q2KP825W
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=1/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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0.600n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ratio of Koff to that of Kon was determined on 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))
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=1/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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0.600n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Potency of Inhibition of human leukocyte elastase (HLE) expressed as apparent binding constant


Bioorg Med Chem Lett 4: 1801-1806 (1994)


Article DOI: 10.1016/S0960-894X(01)80374-7
BindingDB Entry DOI: 10.7270/Q25M65PP
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=1/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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0.600n/an/an/an/an/a 9.40E+4n/an/a



TBA

Curated by ChEMBL


Assay Description
Apparent binding constant Ki=Kon/Koff


Bioorg Med Chem Lett 6: 2941-2946 (1996)


Article DOI: 10.1016/S0960-894X(96)00553-7
BindingDB Entry DOI: 10.7270/Q2KP825W
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50282866
PNG
(4-Ethyl-1,1-dioxo-2-(1-phenyl-1H-tetrazol-5-ylsulf...)
Show SMILES CCc1cccc2c1C(=O)N(CSc1nnnn1-c1ccccc1)S2(=O)=O
Show InChI InChI=1S/C17H15N5O3S2/c1-2-12-7-6-10-14-15(12)16(23)21(27(14,24)25)11-26-17-18-19-20-22(17)13-8-4-3-5-9-13/h3-10H,2,11H2,1H3
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2n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Potency of Inhibition of human leukocyte elastase (HLE) expressed as apparent binding constant


Bioorg Med Chem Lett 4: 1801-1806 (1994)


Article DOI: 10.1016/S0960-894X(01)80374-7
BindingDB Entry DOI: 10.7270/Q25M65PP
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50286330
PNG
(4,5-Dimethoxy-1,1-dioxo-2-(1-phenyl-1H-tetrazol-5-...)
Show SMILES COc1ccc2c(C(=O)N(CSc3nnnn3-c3ccccc3)S2(=O)=O)c1OC
Show InChI InChI=1S/C17H15N5O5S2/c1-26-12-8-9-13-14(15(12)27-2)16(23)21(29(13,24)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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2n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Apparent binding constant Ki=Kon/Koff


Bioorg Med Chem Lett 6: 2941-2946 (1996)


Article DOI: 10.1016/S0960-894X(96)00553-7
BindingDB Entry DOI: 10.7270/Q2KP825W
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50282866
PNG
(4-Ethyl-1,1-dioxo-2-(1-phenyl-1H-tetrazol-5-ylsulf...)
Show SMILES CCc1cccc2c1C(=O)N(CSc1nnnn1-c1ccccc1)S2(=O)=O
Show InChI InChI=1S/C17H15N5O3S2/c1-2-12-7-6-10-14-15(12)16(23)21(27(14,24)25)11-26-17-18-19-20-22(17)13-8-4-3-5-9-13/h3-10H,2,11H2,1H3
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2n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ratio of Koff to that of Kon was determined on 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))
BDBM50286330
PNG
(4,5-Dimethoxy-1,1-dioxo-2-(1-phenyl-1H-tetrazol-5-...)
Show SMILES COc1ccc2c(C(=O)N(CSc3nnnn3-c3ccccc3)S2(=O)=O)c1OC
Show InChI InChI=1S/C17H15N5O5S2/c1-26-12-8-9-13-14(15(12)27-2)16(23)21(29(13,24)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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2n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ratio of Koff to that of Kon was determined on 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))
BDBM50282866
PNG
(4-Ethyl-1,1-dioxo-2-(1-phenyl-1H-tetrazol-5-ylsulf...)
Show SMILES CCc1cccc2c1C(=O)N(CSc1nnnn1-c1ccccc1)S2(=O)=O
Show InChI InChI=1S/C17H15N5O3S2/c1-2-12-7-6-10-14-15(12)16(23)21(27(14,24)25)11-26-17-18-19-20-22(17)13-8-4-3-5-9-13/h3-10H,2,11H2,1H3
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2n/an/an/an/an/a 6.30E+4n/an/a



TBA

Curated by ChEMBL


Assay Description
Apparent binding constant Ki=Kon/Koff


Bioorg Med Chem Lett 6: 2941-2946 (1996)


Article DOI: 10.1016/S0960-894X(96)00553-7
BindingDB Entry DOI: 10.7270/Q2KP825W
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50286330
PNG
(4,5-Dimethoxy-1,1-dioxo-2-(1-phenyl-1H-tetrazol-5-...)
Show SMILES COc1ccc2c(C(=O)N(CSc3nnnn3-c3ccccc3)S2(=O)=O)c1OC
Show InChI InChI=1S/C17H15N5O5S2/c1-26-12-8-9-13-14(15(12)27-2)16(23)21(29(13,24)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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2n/an/an/an/an/a 5.40E+4n/an/a



TBA

Curated by ChEMBL


Assay Description
Apparent binding constant Ki=Kon/Koff


Bioorg Med Chem Lett 6: 2941-2946 (1996)


Article DOI: 10.1016/S0960-894X(96)00553-7
BindingDB Entry DOI: 10.7270/Q2KP825W
More data for this
Ligand-Target Pair
Pancreatic elastase


(Sus scrofa)
BDBM50282866
PNG
(4-Ethyl-1,1-dioxo-2-(1-phenyl-1H-tetrazol-5-ylsulf...)
Show SMILES CCc1cccc2c1C(=O)N(CSc1nnnn1-c1ccccc1)S2(=O)=O
Show InChI InChI=1S/C17H15N5O3S2/c1-2-12-7-6-10-14-15(12)16(23)21(27(14,24)25)11-26-17-18-19-20-22(17)13-8-4-3-5-9-13/h3-10H,2,11H2,1H3
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20n/an/an/an/an/a 1.30E+3n/an/a



TBA

Curated by ChEMBL


Assay Description
Apparent binding constant Ki=Kon/Koff


Bioorg Med Chem Lett 6: 2941-2946 (1996)


Article DOI: 10.1016/S0960-894X(96)00553-7
BindingDB Entry DOI: 10.7270/Q2KP825W
More data for this
Ligand-Target Pair
Pancreatic elastase


(Sus scrofa)
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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39n/an/an/an/an/a 140n/an/a



TBA

Curated by ChEMBL


Assay Description
Apparent binding constant Ki=Kon/Koff


Bioorg Med Chem Lett 6: 2941-2946 (1996)


Article DOI: 10.1016/S0960-894X(96)00553-7
BindingDB Entry DOI: 10.7270/Q2KP825W
More data for this
Ligand-Target Pair
Pancreatic elastase


(Sus scrofa)
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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39n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Apparent binding constant Ki=Kon/Koff


Bioorg Med Chem Lett 6: 2941-2946 (1996)


Article DOI: 10.1016/S0960-894X(96)00553-7
BindingDB Entry DOI: 10.7270/Q2KP825W
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50282869
PNG
(4-(1-Ethyl-propyl)-1,1-dioxo-2-(1-phenyl-1H-tetraz...)
Show SMILES CCC(CC)c1cccc2c1C(=O)N(CSc1nnnn1-c1ccccc1)S2(=O)=O
Show InChI InChI=1S/C20H21N5O3S2/c1-3-14(4-2)16-11-8-12-17-18(16)19(26)24(30(17,27)28)13-29-20-21-22-23-25(20)15-9-6-5-7-10-15/h5-12,14H,3-4,13H2,1-2H3
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60n/an/an/an/an/a 4.40E+3n/an/a



TBA

Curated by ChEMBL


Assay Description
Apparent binding constant Ki=Kon/Koff


Bioorg Med Chem Lett 6: 2941-2946 (1996)


Article DOI: 10.1016/S0960-894X(96)00553-7
BindingDB Entry DOI: 10.7270/Q2KP825W
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50282869
PNG
(4-(1-Ethyl-propyl)-1,1-dioxo-2-(1-phenyl-1H-tetraz...)
Show SMILES CCC(CC)c1cccc2c1C(=O)N(CSc1nnnn1-c1ccccc1)S2(=O)=O
Show InChI InChI=1S/C20H21N5O3S2/c1-3-14(4-2)16-11-8-12-17-18(16)19(26)24(30(17,27)28)13-29-20-21-22-23-25(20)15-9-6-5-7-10-15/h5-12,14H,3-4,13H2,1-2H3
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60n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ratio of Koff to that of Kon was determined on 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))
BDBM50282869
PNG
(4-(1-Ethyl-propyl)-1,1-dioxo-2-(1-phenyl-1H-tetraz...)
Show SMILES CCC(CC)c1cccc2c1C(=O)N(CSc1nnnn1-c1ccccc1)S2(=O)=O
Show InChI InChI=1S/C20H21N5O3S2/c1-3-14(4-2)16-11-8-12-17-18(16)19(26)24(30(17,27)28)13-29-20-21-22-23-25(20)15-9-6-5-7-10-15/h5-12,14H,3-4,13H2,1-2H3
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60n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Potency of Inhibition of human leukocyte elastase (HLE) expressed as apparent binding constant


Bioorg Med Chem Lett 4: 1801-1806 (1994)


Article DOI: 10.1016/S0960-894X(01)80374-7
BindingDB Entry DOI: 10.7270/Q25M65PP
More data for this
Ligand-Target Pair
Pancreatic elastase


(Sus scrofa)
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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>1.00E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Apparent binding constant Ki=Kon/Koff


Bioorg Med Chem Lett 6: 2941-2946 (1996)


Article DOI: 10.1016/S0960-894X(96)00553-7
BindingDB Entry DOI: 10.7270/Q2KP825W
More data for this
Ligand-Target Pair
Pancreatic elastase


(Sus scrofa)
BDBM50286330
PNG
(4,5-Dimethoxy-1,1-dioxo-2-(1-phenyl-1H-tetrazol-5-...)
Show SMILES COc1ccc2c(C(=O)N(CSc3nnnn3-c3ccccc3)S2(=O)=O)c1OC
Show InChI InChI=1S/C17H15N5O5S2/c1-26-12-8-9-13-14(15(12)27-2)16(23)21(29(13,24)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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>1.00E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Apparent binding constant Ki=Kon/Koff


Bioorg Med Chem Lett 6: 2941-2946 (1996)


Article DOI: 10.1016/S0960-894X(96)00553-7
BindingDB Entry DOI: 10.7270/Q2KP825W
More data for this
Ligand-Target Pair
Pancreatic elastase


(Sus scrofa)
BDBM50282869
PNG
(4-(1-Ethyl-propyl)-1,1-dioxo-2-(1-phenyl-1H-tetraz...)
Show SMILES CCC(CC)c1cccc2c1C(=O)N(CSc1nnnn1-c1ccccc1)S2(=O)=O
Show InChI InChI=1S/C20H21N5O3S2/c1-3-14(4-2)16-11-8-12-17-18(16)19(26)24(30(17,27)28)13-29-20-21-22-23-25(20)15-9-6-5-7-10-15/h5-12,14H,3-4,13H2,1-2H3
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>1.50E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Apparent binding constant Ki=Kon/Koff


Bioorg Med Chem Lett 6: 2941-2946 (1996)


Article DOI: 10.1016/S0960-894X(96)00553-7
BindingDB Entry DOI: 10.7270/Q2KP825W
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50282867
PNG
(4-tert-Butyl-1,1-dioxo-2-(1-phenyl-1H-tetrazol-5-y...)
Show SMILES CC(C)(C)c1cccc2c1C(=O)N(CSc1nnnn1-c1ccccc1)S2(=O)=O
Show InChI InChI=1S/C19H19N5O3S2/c1-19(2,3)14-10-7-11-15-16(14)17(25)23(29(15,26)27)12-28-18-20-21-22-24(18)13-8-5-4-6-9-13/h4-11H,12H2,1-3H3
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>2.00E+3n/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))
BDBM50282867
PNG
(4-tert-Butyl-1,1-dioxo-2-(1-phenyl-1H-tetrazol-5-y...)
Show SMILES CC(C)(C)c1cccc2c1C(=O)N(CSc1nnnn1-c1ccccc1)S2(=O)=O
Show InChI InChI=1S/C19H19N5O3S2/c1-19(2,3)14-10-7-11-15-16(14)17(25)23(29(15,26)27)12-28-18-20-21-22-24(18)13-8-5-4-6-9-13/h4-11H,12H2,1-3H3
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2.00E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Potency of Inhibition of human leukocyte elastase (HLE) expressed as apparent binding constant


Bioorg Med Chem Lett 4: 1801-1806 (1994)


Article DOI: 10.1016/S0960-894X(01)80374-7
BindingDB Entry DOI: 10.7270/Q25M65PP
More data for this
Ligand-Target Pair
Pancreatic elastase


(Sus scrofa)
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=1/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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>1.00E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Apparent binding constant Ki=Kon/Koff


Bioorg Med Chem Lett 6: 2941-2946 (1996)


Article DOI: 10.1016/S0960-894X(96)00553-7
BindingDB Entry DOI: 10.7270/Q2KP825W
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=1/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


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))
BDBM50282866
PNG
(4-Ethyl-1,1-dioxo-2-(1-phenyl-1H-tetrazol-5-ylsulf...)
Show SMILES CCc1cccc2c1C(=O)N(CSc1nnnn1-c1ccccc1)S2(=O)=O
Show InChI InChI=1S/C17H15N5O3S2/c1-2-12-7-6-10-14-15(12)16(23)21(27(14,24)25)11-26-17-18-19-20-22(17)13-8-4-3-5-9-13/h3-10H,2,11H2,1H3
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n/an/an/an/an/an/a 6.32E+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)


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))
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/an/a 2.40E+5n/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))
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)


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))
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/an/a 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)


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))
BDBM50286330
PNG
(4,5-Dimethoxy-1,1-dioxo-2-(1-phenyl-1H-tetrazol-5-...)
Show SMILES COc1ccc2c(C(=O)N(CSc3nnnn3-c3ccccc3)S2(=O)=O)c1OC
Show InChI InChI=1S/C17H15N5O5S2/c1-26-12-8-9-13-14(15(12)27-2)16(23)21(29(13,24)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/an/a 5.38E+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)


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))
BDBM50282869
PNG
(4-(1-Ethyl-propyl)-1,1-dioxo-2-(1-phenyl-1H-tetraz...)
Show SMILES CCC(CC)c1cccc2c1C(=O)N(CSc1nnnn1-c1ccccc1)S2(=O)=O
Show InChI InChI=1S/C20H21N5O3S2/c1-3-14(4-2)16-11-8-12-17-18(16)19(26)24(30(17,27)28)13-29-20-21-22-23-25(20)15-9-6-5-7-10-15/h5-12,14H,3-4,13H2,1-2H3
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n/an/an/an/an/an/a 4.40E+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)


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))
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)


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))
BDBM50282869
PNG
(4-(1-Ethyl-propyl)-1,1-dioxo-2-(1-phenyl-1H-tetraz...)
Show SMILES CCC(CC)c1cccc2c1C(=O)N(CSc1nnnn1-c1ccccc1)S2(=O)=O
Show InChI InChI=1S/C20H21N5O3S2/c1-3-14(4-2)16-11-8-12-17-18(16)19(26)24(30(17,27)28)13-29-20-21-22-23-25(20)15-9-6-5-7-10-15/h5-12,14H,3-4,13H2,1-2H3
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n/an/an/an/an/an/a 4.40E+3n/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human leukocyte elastase


Bioorg Med Chem Lett 6: 2941-2946 (1996)


Article DOI: 10.1016/S0960-894X(96)00553-7
BindingDB Entry DOI: 10.7270/Q2KP825W
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=1/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/an/a 9.40E+4n/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human leukocyte elastase


Bioorg Med Chem Lett 6: 2941-2946 (1996)


Article DOI: 10.1016/S0960-894X(96)00553-7
BindingDB Entry DOI: 10.7270/Q2KP825W
More data for this
Ligand-Target Pair
Pancreatic elastase


(Sus scrofa)
BDBM50282866
PNG
(4-Ethyl-1,1-dioxo-2-(1-phenyl-1H-tetrazol-5-ylsulf...)
Show SMILES CCc1cccc2c1C(=O)N(CSc1nnnn1-c1ccccc1)S2(=O)=O
Show InChI InChI=1S/C17H15N5O3S2/c1-2-12-7-6-10-14-15(12)16(23)21(27(14,24)25)11-26-17-18-19-20-22(17)13-8-4-3-5-9-13/h3-10H,2,11H2,1H3
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n/an/an/an/an/an/a 1.30E+3n/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against porcine pancreatic elastase


Bioorg Med Chem Lett 6: 2941-2946 (1996)


Article DOI: 10.1016/S0960-894X(96)00553-7
BindingDB Entry DOI: 10.7270/Q2KP825W
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50282866
PNG
(4-Ethyl-1,1-dioxo-2-(1-phenyl-1H-tetrazol-5-ylsulf...)
Show SMILES CCc1cccc2c1C(=O)N(CSc1nnnn1-c1ccccc1)S2(=O)=O
Show InChI InChI=1S/C17H15N5O3S2/c1-2-12-7-6-10-14-15(12)16(23)21(27(14,24)25)11-26-17-18-19-20-22(17)13-8-4-3-5-9-13/h3-10H,2,11H2,1H3
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n/an/an/an/an/an/a 6.30E+4n/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human leukocyte elastase


Bioorg Med Chem Lett 6: 2941-2946 (1996)


Article DOI: 10.1016/S0960-894X(96)00553-7
BindingDB Entry DOI: 10.7270/Q2KP825W
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/an/a 9.40E+4n/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human leukocyte elastase


Bioorg Med Chem Lett 6: 2941-2946 (1996)


Article DOI: 10.1016/S0960-894X(96)00553-7
BindingDB Entry DOI: 10.7270/Q2KP825W
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50282866
PNG
(4-Ethyl-1,1-dioxo-2-(1-phenyl-1H-tetrazol-5-ylsulf...)
Show SMILES CCc1cccc2c1C(=O)N(CSc1nnnn1-c1ccccc1)S2(=O)=O
Show InChI InChI=1S/C17H15N5O3S2/c1-2-12-7-6-10-14-15(12)16(23)21(27(14,24)25)11-26-17-18-19-20-22(17)13-8-4-3-5-9-13/h3-10H,2,11H2,1H3
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n/an/an/an/an/a 0.000130 6.32E+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)


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))
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)


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))
BDBM50282869
PNG
(4-(1-Ethyl-propyl)-1,1-dioxo-2-(1-phenyl-1H-tetraz...)
Show SMILES CCC(CC)c1cccc2c1C(=O)N(CSc1nnnn1-c1ccccc1)S2(=O)=O
Show InChI InChI=1S/C20H21N5O3S2/c1-3-14(4-2)16-11-8-12-17-18(16)19(26)24(30(17,27)28)13-29-20-21-22-23-25(20)15-9-6-5-7-10-15/h5-12,14H,3-4,13H2,1-2H3
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n/an/an/an/an/a 0.000260 4.40E+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)


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))
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=1/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)


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))
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)


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))
BDBM50286330
PNG
(4,5-Dimethoxy-1,1-dioxo-2-(1-phenyl-1H-tetrazol-5-...)
Show SMILES COc1ccc2c(C(=O)N(CSc3nnnn3-c3ccccc3)S2(=O)=O)c1OC
Show InChI InChI=1S/C17H15N5O5S2/c1-26-12-8-9-13-14(15(12)27-2)16(23)21(29(13,24)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 0.000108 5.38E+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)


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