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PubMed code 1578486

Compile data set for download or QSAR
Found 53 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Leukocyte elastase


(Homo sapiens (Human))
BDBM50005897
PNG
(CHEMBL40840 | Carbonic acid 8-butoxycarbonyloxy-3-...)
Show SMILES CCCCOC(=O)Oc1cc(C)cc2C(=O)c3cc(OCCC)cc(OC(=O)OCCCC)c3C(=O)c12
Show InChI InChI=1S/C28H32O9/c1-5-8-11-34-27(31)36-21-14-17(4)13-19-23(21)26(30)24-20(25(19)29)15-18(33-10-7-3)16-22(24)37-28(32)35-12-9-6-2/h13-16H,5-12H2,1-4H3
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150n/an/an/an/an/an/an/an/a



School of Chemistry and Biochemistry

Curated by ChEMBL


Assay Description
HLE-inhibitor (Human Leukocyte Elastase) dissociation constant determined by using Dixon Plot


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


(Homo sapiens (Human))
BDBM50005903
PNG
(CHEMBL44123 | Carbonic acid 8-butoxycarbonyloxy-7-...)
Show SMILES CCCCCCc1ccc2C(=O)c3cccc(OC(=O)OCCCC)c3C(=O)c2c1OC(=O)OCCCC
Show InChI InChI=1S/C30H36O8/c1-4-7-10-11-13-20-16-17-22-25(28(20)38-30(34)36-19-9-6-3)27(32)24-21(26(22)31)14-12-15-23(24)37-29(33)35-18-8-5-2/h12,14-17H,4-11,13,18-19H2,1-3H3
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430n/an/an/an/an/an/an/an/a



School of Chemistry and Biochemistry

Curated by ChEMBL


Assay Description
HLE-inhibitor (Human Leukocyte Elastase) dissociation constant determined by using Dixon Plot


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


(Homo sapiens (Human))
BDBM50005900
PNG
(CHEMBL43983 | Carbonic acid 8-butoxycarbonyloxy-3-...)
Show SMILES CCCCOC(=O)Oc1cccc2C(=O)c3cc(C)cc(OC(=O)OCCCC)c3C(=O)c12
Show InChI InChI=1S/C25H26O8/c1-4-6-11-30-24(28)32-18-10-8-9-16-20(18)23(27)21-17(22(16)26)13-15(3)14-19(21)33-25(29)31-12-7-5-2/h8-10,13-14H,4-7,11-12H2,1-3H3
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1.90E+3n/an/an/an/an/an/an/an/a



School of Chemistry and Biochemistry

Curated by ChEMBL


Assay Description
HLE-inhibitor (Human Leukocyte Elastase) dissociation constant determined by using Dixon Plot


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


(Homo sapiens (Human))
BDBM50005887
PNG
(CHEMBL440290 | Carbonic acid 8-butoxycarbonyloxy-6...)
Show SMILES CCCCOC(=O)Oc1cc(C)cc2C(=O)c3cc(OC)cc(OC(=O)OCCCC)c3C(=O)c12
Show InChI InChI=1S/C26H28O9/c1-5-7-9-32-25(29)34-19-12-15(3)11-17-21(19)24(28)22-18(23(17)27)13-16(31-4)14-20(22)35-26(30)33-10-8-6-2/h11-14H,5-10H2,1-4H3
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2.80E+3n/an/an/an/an/an/an/an/a



School of Chemistry and Biochemistry

Curated by ChEMBL


Assay Description
HLE-inhibitor (Human Leukocyte Elastase) dissociation constant determined by using Dixon Plot


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


(Homo sapiens (Human))
BDBM50005889
PNG
(CHEMBL40878 | Carbonic acid 8-butoxycarbonyloxy-9,...)
Show SMILES CCCCOC(=O)Oc1cccc2C(=O)c3cccc(OC(=O)OCCCC)c3C(=O)c12
Show InChI InChI=1S/C24H24O8/c1-3-5-13-29-23(27)31-17-11-7-9-15-19(17)22(26)20-16(21(15)25)10-8-12-18(20)32-24(28)30-14-6-4-2/h7-12H,3-6,13-14H2,1-2H3
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7.50E+3n/an/an/an/an/an/an/an/a



School of Chemistry and Biochemistry

Curated by ChEMBL


Assay Description
HLE-inhibitor (Human Leukocyte Elastase) dissociation constant determined by using Dixon Plot


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


(Homo sapiens (Human))
BDBM50005895
PNG
(CHEMBL416614 | Carbonic acid 4,5-bis-butoxycarbony...)
Show SMILES CCCCOC(=O)Oc1cc(OC(=O)OCCCC)c2C(=O)c3c(OC(=O)OCCCC)cc(C)cc3C(=O)c2c1
Show InChI InChI=1S/C30H34O11/c1-5-8-11-36-28(33)39-19-16-21-25(23(17-19)41-30(35)38-13-10-7-3)27(32)24-20(26(21)31)14-18(4)15-22(24)40-29(34)37-12-9-6-2/h14-17H,5-13H2,1-4H3
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n/an/a 1.30E+3n/an/an/an/an/an/a



School of Chemistry and Biochemistry

Curated by ChEMBL


Assay Description
In vitro inhibition of human leukocyte elastase.


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


(Homo sapiens (Human))
BDBM50005897
PNG
(CHEMBL40840 | Carbonic acid 8-butoxycarbonyloxy-3-...)
Show SMILES CCCCOC(=O)Oc1cc(C)cc2C(=O)c3cc(OCCC)cc(OC(=O)OCCCC)c3C(=O)c12
Show InChI InChI=1S/C28H32O9/c1-5-8-11-34-27(31)36-21-14-17(4)13-19-23(21)26(30)24-20(25(19)29)15-18(33-10-7-3)16-22(24)37-28(32)35-12-9-6-2/h13-16H,5-12H2,1-4H3
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n/an/a 1.80E+3n/an/an/an/an/an/a



School of Chemistry and Biochemistry

Curated by ChEMBL


Assay Description
Compound was tested for the enzyme inhibitory activity against Human Leukocyte Elastase (HLE)


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


(Homo sapiens (Human))
BDBM50005903
PNG
(CHEMBL44123 | Carbonic acid 8-butoxycarbonyloxy-7-...)
Show SMILES CCCCCCc1ccc2C(=O)c3cccc(OC(=O)OCCCC)c3C(=O)c2c1OC(=O)OCCCC
Show InChI InChI=1S/C30H36O8/c1-4-7-10-11-13-20-16-17-22-25(28(20)38-30(34)36-19-9-6-3)27(32)24-21(26(22)31)14-12-15-23(24)37-29(33)35-18-8-5-2/h12,14-17H,4-11,13,18-19H2,1-3H3
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n/an/a 2.10E+3n/an/an/an/an/an/a



School of Chemistry and Biochemistry

Curated by ChEMBL


Assay Description
In vitro inhibition of human leukocyte elastase.


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


(Homo sapiens (Human))
BDBM50005887
PNG
(CHEMBL440290 | Carbonic acid 8-butoxycarbonyloxy-6...)
Show SMILES CCCCOC(=O)Oc1cc(C)cc2C(=O)c3cc(OC)cc(OC(=O)OCCCC)c3C(=O)c12
Show InChI InChI=1S/C26H28O9/c1-5-7-9-32-25(29)34-19-12-15(3)11-17-21(19)24(28)22-18(23(17)27)13-16(31-4)14-20(22)35-26(30)33-10-8-6-2/h11-14H,5-10H2,1-4H3
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n/an/a 2.50E+3n/an/an/an/an/an/a



School of Chemistry and Biochemistry

Curated by ChEMBL


Assay Description
Compound was tested for the enzyme inhibitory activity against Human Leukocyte Elastase (HLE)


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


(Homo sapiens (Human))
BDBM50005883
PNG
(1,8-Dihydroxy-2-pentyl-anthraquinone | CHEMBL40884)
Show SMILES CCCCCc1ccc2C(=O)c3cccc(O)c3C(=O)c2c1O
Show InChI InChI=1S/C19H18O4/c1-2-3-4-6-11-9-10-13-16(17(11)21)19(23)15-12(18(13)22)7-5-8-14(15)20/h5,7-10,20-21H,2-4,6H2,1H3
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n/an/a 3.90E+3n/an/an/an/an/an/a



School of Chemistry and Biochemistry

Curated by ChEMBL


Assay Description
In vitro inhibition of human leukocyte elastase.


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


(Homo sapiens (Human))
BDBM50005884
PNG
(2-Hexyl-1,8-dihydroxy-anthraquinone | CHEMBL41317)
Show SMILES CCCCCCc1ccc2C(=O)c3cccc(O)c3C(=O)c2c1O
Show InChI InChI=1S/C20H20O4/c1-2-3-4-5-7-12-10-11-14-17(18(12)22)20(24)16-13(19(14)23)8-6-9-15(16)21/h6,8-11,21-22H,2-5,7H2,1H3
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n/an/a 4.20E+3n/an/an/an/an/an/a



School of Chemistry and Biochemistry

Curated by ChEMBL


Assay Description
In vitro inhibition of human leukocyte elastase.


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


(Homo sapiens (Human))
BDBM50005882
PNG
(1,8-Dihydroxy-2-propyl-anthraquinone | CHEMBL40292)
Show SMILES CCCc1ccc2C(=O)c3cccc(O)c3C(=O)c2c1O
Show InChI InChI=1S/C17H14O4/c1-2-4-9-7-8-11-14(15(9)19)17(21)13-10(16(11)20)5-3-6-12(13)18/h3,5-8,18-19H,2,4H2,1H3
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n/an/a 4.20E+3n/an/an/an/an/an/a



School of Chemistry and Biochemistry

Curated by ChEMBL


Assay Description
In vitro inhibition of human leukocyte elastase.


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


(Homo sapiens (Human))
BDBM50005900
PNG
(CHEMBL43983 | Carbonic acid 8-butoxycarbonyloxy-3-...)
Show SMILES CCCCOC(=O)Oc1cccc2C(=O)c3cc(C)cc(OC(=O)OCCCC)c3C(=O)c12
Show InChI InChI=1S/C25H26O8/c1-4-6-11-30-24(28)32-18-10-8-9-16-20(18)23(27)21-17(22(16)26)13-15(3)14-19(21)33-25(29)31-12-7-5-2/h8-10,13-14H,4-7,11-12H2,1-3H3
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n/an/a 5.10E+3n/an/an/an/an/an/a



School of Chemistry and Biochemistry

Curated by ChEMBL


Assay Description
In vitro inhibition of human leukocyte elastase.


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


(Homo sapiens (Human))
BDBM50005898
PNG
(1,8-Dihydroxy-3-methyl-6-propoxy-anthraquinone | C...)
Show SMILES CCCOc1cc(O)c2C(=O)c3c(O)cc(C)cc3C(=O)c2c1
Show InChI InChI=1S/C18H16O5/c1-3-4-23-10-7-12-16(14(20)8-10)18(22)15-11(17(12)21)5-9(2)6-13(15)19/h5-8,19-20H,3-4H2,1-2H3
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n/an/a 5.90E+3n/an/an/an/an/an/a



School of Chemistry and Biochemistry

Curated by ChEMBL


Assay Description
Compound was tested for the enzyme inhibitory activity against Human Leukocyte Elastase (HLE) at 62 uM concentration


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


(Homo sapiens (Human))
BDBM50005905
PNG
(2-Butyl-1-hydroxy-8-methoxy-anthraquinone | CHEMBL...)
Show SMILES CCCCc1ccc2C(=O)c3cccc(OC)c3C(=O)c2c1O
Show InChI InChI=1S/C19H18O4/c1-3-4-6-11-9-10-13-16(17(11)20)19(22)15-12(18(13)21)7-5-8-14(15)23-2/h5,7-10,20H,3-4,6H2,1-2H3
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n/an/a 5.90E+3n/an/an/an/an/an/a



School of Chemistry and Biochemistry

Curated by ChEMBL


Assay Description
In vitro inhibition of human leukocyte elastase.


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


(Homo sapiens (Human))
BDBM50005885
PNG
(2-Hexyl-1-hydroxy-8-methoxy-anthraquinone | CHEMBL...)
Show SMILES CCCCCCc1ccc2C(=O)c3cccc(OC)c3C(=O)c2c1O
Show InChI InChI=1S/C21H22O4/c1-3-4-5-6-8-13-11-12-15-18(19(13)22)21(24)17-14(20(15)23)9-7-10-16(17)25-2/h7,9-12,22H,3-6,8H2,1-2H3
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n/an/a 6.00E+3n/an/an/an/an/an/a



School of Chemistry and Biochemistry

Curated by ChEMBL


Assay Description
Compound was tested for the enzyme inhibitory activity against Human Leukocyte elastase


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


(Homo sapiens (Human))
BDBM50005888
PNG
(1-Hydroxy-8-methoxy-2-pentyl-anthraquinone | CHEMB...)
Show SMILES CCCCCc1ccc2C(=O)c3cccc(OC)c3C(=O)c2c1O
Show InChI InChI=1S/C20H20O4/c1-3-4-5-7-12-10-11-14-17(18(12)21)20(23)16-13(19(14)22)8-6-9-15(16)24-2/h6,8-11,21H,3-5,7H2,1-2H3
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n/an/a 6.10E+3n/an/an/an/an/an/a



School of Chemistry and Biochemistry

Curated by ChEMBL


Assay Description
In vitro inhibition of human leukocyte elastase.


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


(Homo sapiens (Human))
BDBM50005886
PNG
(1,8-Dihydroxy-3-methoxy-6-methylanthraquinone | 1,...)
Show SMILES COc1cc(O)c2C(=O)c3c(O)cc(C)cc3C(=O)c2c1
Show InChI InChI=1S/C16H12O5/c1-7-3-9-13(11(17)4-7)16(20)14-10(15(9)19)5-8(21-2)6-12(14)18/h3-6,17-18H,1-2H3
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n/an/a 6.20E+3n/an/an/an/an/an/a



School of Chemistry and Biochemistry

Curated by ChEMBL


Assay Description
Compound was tested for the enzyme inhibitory activity against Human Leukocyte Elastase (HLE) at 65 uM concentration


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


(Homo sapiens (Human))
BDBM50005896
PNG
(2-Butyl-1,8-dihydroxy-anthraquinone | CHEMBL41504)
Show SMILES CCCCc1ccc2C(=O)c3cccc(O)c3C(=O)c2c1O
Show InChI InChI=1S/C18H16O4/c1-2-3-5-10-8-9-12-15(16(10)20)18(22)14-11(17(12)21)6-4-7-13(14)19/h4,6-9,19-20H,2-3,5H2,1H3
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n/an/a 6.40E+3n/an/an/an/an/an/a



School of Chemistry and Biochemistry

Curated by ChEMBL


Assay Description
In vitro inhibition of human leukocyte elastase.


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


(Homo sapiens (Human))
BDBM50005902
PNG
(2-Benzyl-1-hydroxy-anthraquinone | CHEMBL43177)
Show SMILES Oc1c(Cc2ccccc2)ccc2C(=O)c3ccccc3C(=O)c12
Show InChI InChI=1S/C21H14O3/c22-19-14(12-13-6-2-1-3-7-13)10-11-17-18(19)21(24)16-9-5-4-8-15(16)20(17)23/h1-11,22H,12H2
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n/an/a 6.60E+3n/an/an/an/an/an/a



School of Chemistry and Biochemistry

Curated by ChEMBL


Assay Description
Compound was tested for the enzyme inhibitory activity against Human Leukocyte elastase


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


(Homo sapiens (Human))
BDBM50005915
PNG
(2-Benzyl-1-hydroxy-8-methoxy-anthraquinone | CHEMB...)
Show SMILES COc1cccc2C(=O)c3ccc(Cc4ccccc4)c(O)c3C(=O)c12
Show InChI InChI=1S/C22H16O4/c1-26-17-9-5-8-15-18(17)22(25)19-16(21(15)24)11-10-14(20(19)23)12-13-6-3-2-4-7-13/h2-11,23H,12H2,1H3
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n/an/a 6.70E+3n/an/an/an/an/an/a



School of Chemistry and Biochemistry

Curated by ChEMBL


Assay Description
In vitro inhibition of human leukocyte elastase.


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


(Homo sapiens (Human))
BDBM50005891
PNG
(1,8-Dihydroxy-2-isobutyl-anthraquinone | CHEMBL434...)
Show SMILES CC(C)Cc1ccc2C(=O)c3cccc(O)c3C(=O)c2c1O
Show InChI InChI=1S/C18H16O4/c1-9(2)8-10-6-7-12-15(16(10)20)18(22)14-11(17(12)21)4-3-5-13(14)19/h3-7,9,19-20H,8H2,1-2H3
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n/an/a 8.00E+3n/an/an/an/an/an/a



School of Chemistry and Biochemistry

Curated by ChEMBL


Assay Description
In vitro inhibition of human leukocyte elastase.


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


(Homo sapiens (Human))
BDBM50005892
PNG
(1-Hydroxy-8-methoxy-2-propyl-anthraquinone | CHEMB...)
Show SMILES CCCc1ccc2C(=O)c3cccc(OC)c3C(=O)c2c1O
Show InChI InChI=1S/C18H16O4/c1-3-5-10-8-9-12-15(16(10)19)18(21)14-11(17(12)20)6-4-7-13(14)22-2/h4,6-9,19H,3,5H2,1-2H3
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n/an/a 8.70E+3n/an/an/an/an/an/a



School of Chemistry and Biochemistry

Curated by ChEMBL


Assay Description
In vitro inhibition of human leukocyte elastase.


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


(Homo sapiens (Human))
BDBM50005890
PNG
(1,8-Dihydroxy-2-methyl-anthraquinone | CHEMBL40849)
Show SMILES Cc1ccc2C(=O)c3cccc(O)c3C(=O)c2c1O
Show InChI InChI=1S/C15H10O4/c1-7-5-6-9-12(13(7)17)15(19)11-8(14(9)18)3-2-4-10(11)16/h2-6,16-17H,1H3
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n/an/a 9.90E+3n/an/an/an/an/an/a



School of Chemistry and Biochemistry

Curated by ChEMBL


Assay Description
In vitro inhibition of human leukocyte elastase.


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


(Homo sapiens (Human))
BDBM50005901
PNG
(1-Hydroxy-2-methyl-anthraquinone | 1-hydroxy-2-met...)
Show SMILES Cc1ccc2C(=O)c3ccccc3C(=O)c2c1O
Show InChI InChI=1S/C15H10O3/c1-8-6-7-11-12(13(8)16)15(18)10-5-3-2-4-9(10)14(11)17/h2-7,16H,1H3
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n/an/a 1.10E+4n/an/an/an/an/an/a



School of Chemistry and Biochemistry

Curated by ChEMBL


Assay Description
Compound was tested for the enzyme inhibitory activity against Human Leukocyte elastase


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


(Homo sapiens (Human))
BDBM50005907
PNG
(1-Hydroxy-2-isobutyl-8-methoxy-anthraquinone | CHE...)
Show SMILES COc1cccc2C(=O)c3ccc(CC(C)C)c(O)c3C(=O)c12
Show InChI InChI=1S/C19H18O4/c1-10(2)9-11-7-8-13-16(17(11)20)19(22)15-12(18(13)21)5-4-6-14(15)23-3/h4-8,10,20H,9H2,1-3H3
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n/an/a 1.10E+4n/an/an/an/an/an/a



School of Chemistry and Biochemistry

Curated by ChEMBL


Assay Description
In vitro inhibition of human leukocyte elastase.


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


(Homo sapiens (Human))
BDBM50005893
PNG
(2-Allyl-1-hydroxy-8-methoxy-anthraquinone | CHEMBL...)
Show SMILES COc1cccc2C(=O)c3ccc(CC=C)c(O)c3C(=O)c12
Show InChI InChI=1S/C18H14O4/c1-3-5-10-8-9-12-15(16(10)19)18(21)14-11(17(12)20)6-4-7-13(14)22-2/h3-4,6-9,19H,1,5H2,2H3
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n/an/a 1.10E+4n/an/an/an/an/an/a



School of Chemistry and Biochemistry

Curated by ChEMBL


Assay Description
In vitro inhibition of human leukocyte elastase.


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


(Homo sapiens (Human))
BDBM50005906
PNG
(Acetic acid 6,8-diacetoxy-2-methyl-9,10-dioxo-9,10...)
Show SMILES CC(=O)Oc1cc(OC(C)=O)c2C(=O)c3c(OC(C)=O)c(C)ccc3C(=O)c2c1
Show InChI InChI=1S/C21H16O8/c1-9-5-6-14-18(21(9)29-12(4)24)20(26)17-15(19(14)25)7-13(27-10(2)22)8-16(17)28-11(3)23/h5-8H,1-4H3
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n/an/a 1.20E+4n/an/an/an/an/an/a



School of Chemistry and Biochemistry

Curated by ChEMBL


Assay Description
Compound was tested for the enzyme inhibitory activity against Human Leukocyte Elastase (HLE) at 52 uM concentration


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


(Homo sapiens (Human))
BDBM50005889
PNG
(CHEMBL40878 | Carbonic acid 8-butoxycarbonyloxy-9,...)
Show SMILES CCCCOC(=O)Oc1cccc2C(=O)c3cccc(OC(=O)OCCCC)c3C(=O)c12
Show InChI InChI=1S/C24H24O8/c1-3-5-13-29-23(27)31-17-11-7-9-15-19(17)22(26)20-16(21(15)25)10-8-12-18(20)32-24(28)30-14-6-4-2/h7-12H,3-6,13-14H2,1-2H3
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n/an/a 1.20E+4n/an/an/an/an/an/a



School of Chemistry and Biochemistry

Curated by ChEMBL


Assay Description
In vitro inhibition of human leukocyte elastase.


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


(Homo sapiens (Human))
BDBM50005914
PNG
(Acetic acid 3,8-diacetoxy-6-methyl-9,10-dioxo-9,10...)
Show SMILES CC(=O)Oc1cc(OC(C)=O)c2C(=O)c3c(OC(C)=O)cc(C)cc3C(=O)c2c1
Show InChI InChI=1S/C21H16O8/c1-9-5-14-18(16(6-9)28-11(3)23)21(26)19-15(20(14)25)7-13(27-10(2)22)8-17(19)29-12(4)24/h5-8H,1-4H3
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n/an/a 1.30E+4n/an/an/an/an/an/a



School of Chemistry and Biochemistry

Curated by ChEMBL


Assay Description
Compound was tested for the enzyme inhibitory activity against Human Leukocyte Elastase (HLE) at 62 uM concentration


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


(Homo sapiens (Human))
BDBM50005912
PNG
(2-Benzyl-1,8-dihydroxy-anthraquinone | CHEMBL41525)
Show SMILES Oc1cccc2C(=O)c3ccc(Cc4ccccc4)c(O)c3C(=O)c12
Show InChI InChI=1S/C21H14O4/c22-16-8-4-7-14-17(16)21(25)18-15(20(14)24)10-9-13(19(18)23)11-12-5-2-1-3-6-12/h1-10,22-23H,11H2
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n/an/a 1.30E+4n/an/an/an/an/an/a



School of Chemistry and Biochemistry

Curated by ChEMBL


Assay Description
In vitro inhibition of human leukocyte elastase.


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


(Homo sapiens (Human))
BDBM50005899
PNG
(1-Hydroxy-6,8-dimethoxy-2-methyl-anthraquinone | C...)
Show SMILES COc1cc(OC)c2C(=O)c3c(O)c(C)ccc3C(=O)c2c1
Show InChI InChI=1S/C17H14O5/c1-8-4-5-10-14(15(8)18)17(20)13-11(16(10)19)6-9(21-2)7-12(13)22-3/h4-7,18H,1-3H3
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n/an/a 1.30E+4n/an/an/an/an/an/a



School of Chemistry and Biochemistry

Curated by ChEMBL


Assay Description
Compound was tested for the enzyme inhibitory activity against Human Leukocyte Elastase (HLE) at 27 uM concentration


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


(Homo sapiens (Human))
BDBM50005910
PNG
(3-Dibromomethyl-1,6,8-trimethoxy-anthraquinone | C...)
Show SMILES COc1cc(OC)c2C(=O)c3c(OC)cc(cc3C(=O)c2c1)C(Br)Br
Show InChI InChI=1S/C18H14Br2O5/c1-23-9-6-11-15(13(7-9)25-3)17(22)14-10(16(11)21)4-8(18(19)20)5-12(14)24-2/h4-7,18H,1-3H3
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n/an/a 1.70E+4n/an/an/an/an/an/a



School of Chemistry and Biochemistry

Curated by ChEMBL


Assay Description
Compound was tested for the enzyme inhibitory activity against Human Leukocyte Elastase (HLE) at 30 uM concentration


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


(Homo sapiens (Human))
BDBM50455992
PNG
(CHEBI:3687 | CHRYSOPHANOL | Chrysophanol)
Show SMILES Cc1cc(O)c2C(=O)c3c(O)cccc3C(=O)c2c1
Show InChI InChI=1S/C15H10O4/c1-7-5-9-13(11(17)6-7)15(19)12-8(14(9)18)3-2-4-10(12)16/h2-6,16-17H,1H3
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n/an/a 1.80E+4n/an/an/an/an/an/a



School of Chemistry and Biochemistry

Curated by ChEMBL


Assay Description
Compound was tested for the enzyme inhibitory activity against Human Leukocyte Elastase (HLE) at 28 uM concentration


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


(Homo sapiens (Human))
BDBM50005909
PNG
(1-Hydroxy-8-methoxy-2-methyl-anthraquinone | CHEMB...)
Show SMILES COc1cccc2C(=O)c3ccc(C)c(O)c3C(=O)c12
Show InChI InChI=1S/C16H12O4/c1-8-6-7-10-13(14(8)17)16(19)12-9(15(10)18)4-3-5-11(12)20-2/h3-7,17H,1-2H3
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n/an/a 1.90E+4n/an/an/an/an/an/a



School of Chemistry and Biochemistry

Curated by ChEMBL


Assay Description
In vitro inhibition of human leukocyte elastase.


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


(Homo sapiens (Human))
BDBM50005904
PNG
(1,6,8-Trihydroxy-2-methyl-anthraquinone | CHEMBL38...)
Show SMILES Cc1ccc2C(=O)c3cc(O)cc(O)c3C(=O)c2c1O
Show InChI InChI=1S/C15H10O5/c1-6-2-3-8-12(13(6)18)15(20)11-9(14(8)19)4-7(16)5-10(11)17/h2-5,16-18H,1H3
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n/an/a 2.10E+4n/an/an/an/an/an/a



School of Chemistry and Biochemistry

Curated by ChEMBL


Assay Description
Compound was tested for the enzyme inhibitory activity against Human Leukocyte Elastase (HLE) at 55 uM concentration


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin G


(Homo sapiens)
BDBM50005896
PNG
(2-Butyl-1,8-dihydroxy-anthraquinone | CHEMBL41504)
Show SMILES CCCCc1ccc2C(=O)c3cccc(O)c3C(=O)c2c1O
Show InChI InChI=1S/C18H16O4/c1-2-3-5-10-8-9-12-15(16(10)20)18(22)14-11(17(12)21)6-4-7-13(14)19/h4,6-9,19-20H,2-3,5H2,1H3
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n/an/a 2.40E+4n/an/an/an/an/an/a



School of Chemistry and Biochemistry

Curated by ChEMBL


Assay Description
Inhibition of Cathepsin G (CatG)


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin G


(Homo sapiens)
BDBM50005882
PNG
(1,8-Dihydroxy-2-propyl-anthraquinone | CHEMBL40292)
Show SMILES CCCc1ccc2C(=O)c3cccc(O)c3C(=O)c2c1O
Show InChI InChI=1S/C17H14O4/c1-2-4-9-7-8-11-14(15(9)19)17(21)13-10(16(11)20)5-3-6-12(13)18/h3,5-8,18-19H,2,4H2,1H3
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n/an/a 2.50E+4n/an/an/an/an/an/a



School of Chemistry and Biochemistry

Curated by ChEMBL


Assay Description
Inhibition of Cathepsin G (CatG)


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin G


(Homo sapiens)
BDBM50005884
PNG
(2-Hexyl-1,8-dihydroxy-anthraquinone | CHEMBL41317)
Show SMILES CCCCCCc1ccc2C(=O)c3cccc(O)c3C(=O)c2c1O
Show InChI InChI=1S/C20H20O4/c1-2-3-4-5-7-12-10-11-14-17(18(12)22)20(24)16-13(19(14)23)8-6-9-15(16)21/h6,8-11,21-22H,2-5,7H2,1H3
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n/an/a 2.80E+4n/an/an/an/an/an/a



School of Chemistry and Biochemistry

Curated by ChEMBL


Assay Description
Inhibition of Cathepsin G (CatG)


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin G


(Homo sapiens)
BDBM50005883
PNG
(1,8-Dihydroxy-2-pentyl-anthraquinone | CHEMBL40884)
Show SMILES CCCCCc1ccc2C(=O)c3cccc(O)c3C(=O)c2c1O
Show InChI InChI=1S/C19H18O4/c1-2-3-4-6-11-9-10-13-16(17(11)21)19(23)15-12(18(13)22)7-5-8-14(15)20/h5,7-10,20-21H,2-4,6H2,1H3
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n/an/a 3.30E+4n/an/an/an/an/an/a



School of Chemistry and Biochemistry

Curated by ChEMBL


Assay Description
Inhibition of Cathepsin G (CatG)


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin G


(Homo sapiens)
BDBM50005891
PNG
(1,8-Dihydroxy-2-isobutyl-anthraquinone | CHEMBL434...)
Show SMILES CC(C)Cc1ccc2C(=O)c3cccc(O)c3C(=O)c2c1O
Show InChI InChI=1S/C18H16O4/c1-9(2)8-10-6-7-12-15(16(10)20)18(22)14-11(17(12)21)4-3-5-13(14)19/h3-7,9,19-20H,8H2,1-2H3
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n/an/a 3.70E+4n/an/an/an/an/an/a



School of Chemistry and Biochemistry

Curated by ChEMBL


Assay Description
Inhibition of Cathepsin G (CatG)


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


(Homo sapiens (Human))
BDBM50005894
PNG
(2-Methylanthraquinone | 2-methyl-9,10-anthracenedi...)
Show SMILES Cc1ccc2C(=O)c3ccccc3C(=O)c2c1
Show InChI InChI=1S/C15H10O2/c1-9-6-7-12-13(8-9)15(17)11-5-3-2-4-10(11)14(12)16/h2-8H,1H3
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n/an/a 3.90E+4n/an/an/an/an/an/a



School of Chemistry and Biochemistry

Curated by ChEMBL


Assay Description
In vitro inhibition of human leukocyte elastase.


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


(Homo sapiens (Human))
BDBM11318
PNG
(1,3,8-trihydroxy-6-methyl-9,10-dihydroanthracene-9...)
Show SMILES Cc1cc(O)c2C(=O)c3c(O)cc(O)cc3C(=O)c2c1
Show InChI InChI=1S/C15H10O5/c1-6-2-8-12(10(17)3-6)15(20)13-9(14(8)19)4-7(16)5-11(13)18/h2-5,16-18H,1H3
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n/an/a 5.20E+4n/an/an/an/an/an/a



School of Chemistry and Biochemistry

Curated by ChEMBL


Assay Description
Compound was tested for the enzyme inhibitory activity against Human Leukocyte Elastase (HLE) at 53 uM concentration


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin G


(Homo sapiens)
BDBM50005890
PNG
(1,8-Dihydroxy-2-methyl-anthraquinone | CHEMBL40849)
Show SMILES Cc1ccc2C(=O)c3cccc(O)c3C(=O)c2c1O
Show InChI InChI=1S/C15H10O4/c1-7-5-6-9-12(13(7)17)15(19)11-8(14(9)18)3-2-4-10(11)16/h2-6,16-17H,1H3
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n/an/a 5.50E+4n/an/an/an/an/an/a



School of Chemistry and Biochemistry

Curated by ChEMBL


Assay Description
Inhibition of Cathepsin G (CatG)


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin G


(Homo sapiens)
BDBM50005905
PNG
(2-Butyl-1-hydroxy-8-methoxy-anthraquinone | CHEMBL...)
Show SMILES CCCCc1ccc2C(=O)c3cccc(OC)c3C(=O)c2c1O
Show InChI InChI=1S/C19H18O4/c1-3-4-6-11-9-10-13-16(17(11)20)19(22)15-12(18(13)21)7-5-8-14(15)23-2/h5,7-10,20H,3-4,6H2,1-2H3
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n/an/a 5.50E+4n/an/an/an/an/an/a



School of Chemistry and Biochemistry

Curated by ChEMBL


Assay Description
Inhibition of Cathepsin G (CatG)


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin G


(Homo sapiens)
BDBM50005912
PNG
(2-Benzyl-1,8-dihydroxy-anthraquinone | CHEMBL41525)
Show SMILES Oc1cccc2C(=O)c3ccc(Cc4ccccc4)c(O)c3C(=O)c12
Show InChI InChI=1S/C21H14O4/c22-16-8-4-7-14-17(16)21(25)18-15(20(14)24)10-9-13(19(18)23)11-12-5-2-1-3-6-12/h1-10,22-23H,11H2
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n/an/a 5.60E+4n/an/an/an/an/an/a



School of Chemistry and Biochemistry

Curated by ChEMBL


Assay Description
Inhibition of Cathepsin G (CatG)


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin G


(Homo sapiens)
BDBM50005888
PNG
(1-Hydroxy-8-methoxy-2-pentyl-anthraquinone | CHEMB...)
Show SMILES CCCCCc1ccc2C(=O)c3cccc(OC)c3C(=O)c2c1O
Show InChI InChI=1S/C20H20O4/c1-3-4-5-7-12-10-11-14-17(18(12)21)20(23)16-13(19(14)22)8-6-9-15(16)24-2/h6,8-11,21H,3-5,7H2,1-2H3
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n/an/a>6.00E+4n/an/an/an/an/an/a



School of Chemistry and Biochemistry

Curated by ChEMBL


Assay Description
Inhibition of Cathepsin G (CatG)


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin G


(Homo sapiens)
BDBM50005885
PNG
(2-Hexyl-1-hydroxy-8-methoxy-anthraquinone | CHEMBL...)
Show SMILES CCCCCCc1ccc2C(=O)c3cccc(OC)c3C(=O)c2c1O
Show InChI InChI=1S/C21H22O4/c1-3-4-5-6-8-13-11-12-15-18(19(13)22)21(24)17-14(20(15)23)9-7-10-16(17)25-2/h7,9-12,22H,3-6,8H2,1-2H3
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n/an/a>6.00E+4n/an/an/an/an/an/a



School of Chemistry and Biochemistry

Curated by ChEMBL


Assay Description
Compound was tested for the enzyme inhibitory activity against Cathepsin G


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin G


(Homo sapiens)
BDBM50005913
PNG
(2-Allyl-1,8-dimethoxy-anthraquinone | CHEMBL41047)
Show SMILES COc1cccc2C(=O)c3ccc(CC=C)c(OC)c3C(=O)c12
Show InChI InChI=1S/C19H16O4/c1-4-6-11-9-10-13-16(19(11)23-3)18(21)15-12(17(13)20)7-5-8-14(15)22-2/h4-5,7-10H,1,6H2,2-3H3
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n/an/a>6.00E+4n/an/an/an/an/an/a



School of Chemistry and Biochemistry

Curated by ChEMBL


Assay Description
Inhibition of Cathepsin G (CatG)


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin G


(Homo sapiens)
BDBM50005893
PNG
(2-Allyl-1-hydroxy-8-methoxy-anthraquinone | CHEMBL...)
Show SMILES COc1cccc2C(=O)c3ccc(CC=C)c(O)c3C(=O)c12
Show InChI InChI=1S/C18H14O4/c1-3-5-10-8-9-12-15(16(10)19)18(21)14-11(17(12)20)6-4-7-13(14)22-2/h3-4,6-9,19H,1,5H2,2H3
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n/an/a>6.00E+4n/an/an/an/an/an/a



School of Chemistry and Biochemistry

Curated by ChEMBL


Assay Description
Inhibition of Cathepsin G (CatG)


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin G


(Homo sapiens)
BDBM50005901
PNG
(1-Hydroxy-2-methyl-anthraquinone | 1-hydroxy-2-met...)
Show SMILES Cc1ccc2C(=O)c3ccccc3C(=O)c2c1O
Show InChI InChI=1S/C15H10O3/c1-8-6-7-11-12(13(8)16)15(18)10-5-3-2-4-9(10)14(11)17/h2-7,16H,1H3
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n/an/a>6.00E+4n/an/an/an/an/an/a



School of Chemistry and Biochemistry

Curated by ChEMBL


Assay Description
Compound was tested for the enzyme inhibitory activity against Cathepsin G


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin G


(Homo sapiens)
BDBM50005892
PNG
(1-Hydroxy-8-methoxy-2-propyl-anthraquinone | CHEMB...)
Show SMILES CCCc1ccc2C(=O)c3cccc(OC)c3C(=O)c2c1O
Show InChI InChI=1S/C18H16O4/c1-3-5-10-8-9-12-15(16(10)19)18(21)14-11(17(12)20)6-4-7-13(14)22-2/h4,6-9,19H,3,5H2,1-2H3
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n/an/a>6.00E+4n/an/an/an/an/an/a



School of Chemistry and Biochemistry

Curated by ChEMBL


Assay Description
Inhibition of Cathepsin G (CatG)


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


(Homo sapiens (Human))
BDBM50005911
PNG
(1-Methoxy-2-methyl-anthraquinone | CHEMBL41178)
Show SMILES COc1c(C)ccc2C(=O)c3ccccc3C(=O)c12
Show InChI InChI=1S/C16H12O3/c1-9-7-8-12-13(16(9)19-2)15(18)11-6-4-3-5-10(11)14(12)17/h3-8H,1-2H3
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n/an/a>6.00E+4n/an/an/an/an/an/a



School of Chemistry and Biochemistry

Curated by ChEMBL


Assay Description
Compound was tested for the enzyme inhibitory activity against Human Leukocyte elastase


Citation and Details
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%