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5 similar compounds to monomer 50005889

Compile data set for download or QSAR
Wt: 484.4
BDBM50005887
Wt: 570.5
BDBM50005895
Wt: 512.5
BDBM50005897
Wt: 454.4
BDBM50005900
Wt: 524.6
BDBM50005903

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 9 hits for monomerid = 50005887,50005895,50005897,50005900,50005903   
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))
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))
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))
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))
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))
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))
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