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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


J Med Chem 35: 1597-605 (1992)


Article DOI: 10.1021/jm00087a014
BindingDB Entry DOI: 10.7270/Q2QN67D7
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
Compound was tested for the enzyme inhibitory activity against Human Leukocyte Elastase (HLE)


J Med Chem 35: 1597-605 (1992)


Article DOI: 10.1021/jm00087a014
BindingDB Entry DOI: 10.7270/Q2QN67D7
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


J Med Chem 35: 1597-605 (1992)


Article DOI: 10.1021/jm00087a014
BindingDB Entry DOI: 10.7270/Q2QN67D7
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


J Med Chem 35: 1597-605 (1992)


Article DOI: 10.1021/jm00087a014
BindingDB Entry DOI: 10.7270/Q2QN67D7
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


J Med Chem 35: 1597-605 (1992)


Article DOI: 10.1021/jm00087a014
BindingDB Entry DOI: 10.7270/Q2QN67D7
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.


J Med Chem 35: 1597-605 (1992)


Article DOI: 10.1021/jm00087a014
BindingDB Entry DOI: 10.7270/Q2QN67D7
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)


J Med Chem 35: 1597-605 (1992)


Article DOI: 10.1021/jm00087a014
BindingDB Entry DOI: 10.7270/Q2QN67D7
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.


J Med Chem 35: 1597-605 (1992)


Article DOI: 10.1021/jm00087a014
BindingDB Entry DOI: 10.7270/Q2QN67D7
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)


J Med Chem 35: 1597-605 (1992)


Article DOI: 10.1021/jm00087a014
BindingDB Entry DOI: 10.7270/Q2QN67D7
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.


J Med Chem 35: 1597-605 (1992)


Article DOI: 10.1021/jm00087a014
BindingDB Entry DOI: 10.7270/Q2QN67D7
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.


J Med Chem 35: 1597-605 (1992)


Article DOI: 10.1021/jm00087a014
BindingDB Entry DOI: 10.7270/Q2QN67D7
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.


J Med Chem 35: 1597-605 (1992)


Article DOI: 10.1021/jm00087a014
BindingDB Entry DOI: 10.7270/Q2QN67D7
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.


J Med Chem 35: 1597-605 (1992)


Article DOI: 10.1021/jm00087a014
BindingDB Entry DOI: 10.7270/Q2QN67D7
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


J Med Chem 35: 1597-605 (1992)


Article DOI: 10.1021/jm00087a014
BindingDB Entry DOI: 10.7270/Q2QN67D7
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.


J Med Chem 35: 1597-605 (1992)


Article DOI: 10.1021/jm00087a014
BindingDB Entry DOI: 10.7270/Q2QN67D7
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


J Med Chem 35: 1597-605 (1992)


Article DOI: 10.1021/jm00087a014
BindingDB Entry DOI: 10.7270/Q2QN67D7
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.


J Med Chem 35: 1597-605 (1992)


Article DOI: 10.1021/jm00087a014
BindingDB Entry DOI: 10.7270/Q2QN67D7
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


J Med Chem 35: 1597-605 (1992)


Article DOI: 10.1021/jm00087a014
BindingDB Entry DOI: 10.7270/Q2QN67D7
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.


J Med Chem 35: 1597-605 (1992)


Article DOI: 10.1021/jm00087a014
BindingDB Entry DOI: 10.7270/Q2QN67D7
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


J Med Chem 35: 1597-605 (1992)


Article DOI: 10.1021/jm00087a014
BindingDB Entry DOI: 10.7270/Q2QN67D7
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.


J Med Chem 35: 1597-605 (1992)


Article DOI: 10.1021/jm00087a014
BindingDB Entry DOI: 10.7270/Q2QN67D7
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.


J Med Chem 35: 1597-605 (1992)


Article DOI: 10.1021/jm00087a014
BindingDB Entry DOI: 10.7270/Q2QN67D7
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.


J Med Chem 35: 1597-605 (1992)


Article DOI: 10.1021/jm00087a014
BindingDB Entry DOI: 10.7270/Q2QN67D7
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.


J Med Chem 35: 1597-605 (1992)


Article DOI: 10.1021/jm00087a014
BindingDB Entry DOI: 10.7270/Q2QN67D7
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


J Med Chem 35: 1597-605 (1992)


Article DOI: 10.1021/jm00087a014
BindingDB Entry DOI: 10.7270/Q2QN67D7
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.


J Med Chem 35: 1597-605 (1992)


Article DOI: 10.1021/jm00087a014
BindingDB Entry DOI: 10.7270/Q2QN67D7
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.


J Med Chem 35: 1597-605 (1992)


Article DOI: 10.1021/jm00087a014
BindingDB Entry DOI: 10.7270/Q2QN67D7
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.


J Med Chem 35: 1597-605 (1992)


Article DOI: 10.1021/jm00087a014
BindingDB Entry DOI: 10.7270/Q2QN67D7
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


J Med Chem 35: 1597-605 (1992)


Article DOI: 10.1021/jm00087a014
BindingDB Entry DOI: 10.7270/Q2QN67D7
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


J Med Chem 35: 1597-605 (1992)


Article DOI: 10.1021/jm00087a014
BindingDB Entry DOI: 10.7270/Q2QN67D7
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.


J Med Chem 35: 1597-605 (1992)


Article DOI: 10.1021/jm00087a014
BindingDB Entry DOI: 10.7270/Q2QN67D7
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


J Med Chem 35: 1597-605 (1992)


Article DOI: 10.1021/jm00087a014
BindingDB Entry DOI: 10.7270/Q2QN67D7
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


J Med Chem 35: 1597-605 (1992)


Article DOI: 10.1021/jm00087a014
BindingDB Entry DOI: 10.7270/Q2QN67D7
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


J Med Chem 35: 1597-605 (1992)


Article DOI: 10.1021/jm00087a014
BindingDB Entry DOI: 10.7270/Q2QN67D7
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.


J Med Chem 35: 1597-605 (1992)


Article DOI: 10.1021/jm00087a014
BindingDB Entry DOI: 10.7270/Q2QN67D7
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


J Med Chem 35: 1597-605 (1992)


Article DOI: 10.1021/jm00087a014
BindingDB Entry DOI: 10.7270/Q2QN67D7
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)


J Med Chem 35: 1597-605 (1992)


Article DOI: 10.1021/jm00087a014
BindingDB Entry DOI: 10.7270/Q2QN67D7
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)


J Med Chem 35: 1597-605 (1992)


Article DOI: 10.1021/jm00087a014
BindingDB Entry DOI: 10.7270/Q2QN67D7
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)


J Med Chem 35: 1597-605 (1992)


Article DOI: 10.1021/jm00087a014
BindingDB Entry DOI: 10.7270/Q2QN67D7
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)


J Med Chem 35: 1597-605 (1992)


Article DOI: 10.1021/jm00087a014
BindingDB Entry DOI: 10.7270/Q2QN67D7
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)


J Med Chem 35: 1597-605 (1992)


Article DOI: 10.1021/jm00087a014
BindingDB Entry DOI: 10.7270/Q2QN67D7
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.


J Med Chem 35: 1597-605 (1992)


Article DOI: 10.1021/jm00087a014
BindingDB Entry DOI: 10.7270/Q2QN67D7
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


J Med Chem 35: 1597-605 (1992)


Article DOI: 10.1021/jm00087a014
BindingDB Entry DOI: 10.7270/Q2QN67D7
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)


J Med Chem 35: 1597-605 (1992)


Article DOI: 10.1021/jm00087a014
BindingDB Entry DOI: 10.7270/Q2QN67D7
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)


J Med Chem 35: 1597-605 (1992)


Article DOI: 10.1021/jm00087a014
BindingDB Entry DOI: 10.7270/Q2QN67D7
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)


J Med Chem 35: 1597-605 (1992)


Article DOI: 10.1021/jm00087a014
BindingDB Entry DOI: 10.7270/Q2QN67D7
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)


J Med Chem 35: 1597-605 (1992)


Article DOI: 10.1021/jm00087a014
BindingDB Entry DOI: 10.7270/Q2QN67D7
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


J Med Chem 35: 1597-605 (1992)


Article DOI: 10.1021/jm00087a014
BindingDB Entry DOI: 10.7270/Q2QN67D7
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


J Med Chem 35: 1597-605 (1992)


Article DOI: 10.1021/jm00087a014
BindingDB Entry DOI: 10.7270/Q2QN67D7
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


J Med Chem 35: 1597-605 (1992)


Article DOI: 10.1021/jm00087a014
BindingDB Entry DOI: 10.7270/Q2QN67D7
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)


J Med Chem 35: 1597-605 (1992)


Article DOI: 10.1021/jm00087a014
BindingDB Entry DOI: 10.7270/Q2QN67D7
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)


J Med Chem 35: 1597-605 (1992)


Article DOI: 10.1021/jm00087a014
BindingDB Entry DOI: 10.7270/Q2QN67D7
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)


J Med Chem 35: 1597-605 (1992)


Article DOI: 10.1021/jm00087a014
BindingDB Entry DOI: 10.7270/Q2QN67D7
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%