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Articleid 50029510

Compile data set for download or QSAR
Found 24 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
Leukotriene B4 receptor 1


(Homo sapiens (Human))
BDBM50280290
PNG
(4-ethyl-2-methoxy-5-[6-methyl-6-(2H-1,2,3,4-tetraa...)
Show SMILES CCc1cc(OC)c(O)cc1OCCCCCC(C)(C)c1nn[n-]n1
Show InChI InChI=1S/C18H27N4O3/c1-5-13-11-16(24-4)14(23)12-15(13)25-10-8-6-7-9-18(2,3)17-19-21-22-20-17/h11-12H,5-10H2,1-4H3,(H-,19,20,21,22,23)/q-1
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Article
3.5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity of the compound against human neutrophil Receptor


Bioorg Med Chem Lett 5: 1995-2000 (1995)


Article DOI: 10.1016/0960-894X(95)00340-Y
BindingDB Entry DOI: 10.7270/Q2JW8DVR
More data for this
Ligand-Target Pair
Leukotriene B4 receptor 1


(Homo sapiens (Human))
BDBM50036750
PNG
(2-ethoxy-4-ethyl-5-[6-methyl-6-(2H-1,2,3,4-tetraaz...)
Show SMILES CCOc1cc(CC)c(OCCCCCC(C)(C)c2nn[n-]n2)cc1O
Show InChI InChI=1S/C19H29N4O3/c1-5-14-12-17(25-6-2)15(24)13-16(14)26-11-9-7-8-10-19(3,4)18-20-22-23-21-18/h12-13H,5-11H2,1-4H3,(H-,20,21,22,23,24)/q-1
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Article
4.80n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity of the compound against human neutrophil Receptor.


Bioorg Med Chem Lett 5: 1995-2000 (1995)


Article DOI: 10.1016/0960-894X(95)00340-Y
BindingDB Entry DOI: 10.7270/Q2JW8DVR
More data for this
Ligand-Target Pair
Leukotriene B4 receptor 1


(Homo sapiens (Human))
BDBM50285071
PNG
(CHEMBL62051 | sodium 2,4-diethyl-5-[6-methyl-6-(2H...)
Show SMILES CCc1cc(CC)c(OCCCCCC(C)(C)c2nn[n-]n2)cc1O
Show InChI InChI=1S/C19H29N4O2/c1-5-14-12-15(6-2)17(13-16(14)24)25-11-9-7-8-10-19(3,4)18-20-22-23-21-18/h12-13H,5-11H2,1-4H3,(H-,20,21,22,23,24)/q-1
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Article
5.10n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity of the compound against Guinea pig membrane LTB4 Receptor


Bioorg Med Chem Lett 5: 1995-2000 (1995)


Article DOI: 10.1016/0960-894X(95)00340-Y
BindingDB Entry DOI: 10.7270/Q2JW8DVR
More data for this
Ligand-Target Pair
Leukotriene B4 receptor 1


(Homo sapiens (Human))
BDBM50036743
PNG
(CHEMBL60617 | Sodium salt of 4-Ethyl-5-[6-methyl-6...)
Show SMILES CCCc1cc(CC)c(OCCCCCC(C)(C)c2nn[n-]n2)cc1O
Show InChI InChI=1S/C20H31N4O2/c1-5-10-16-13-15(6-2)18(14-17(16)25)26-12-9-7-8-11-20(3,4)19-21-23-24-22-19/h13-14H,5-12H2,1-4H3,(H-,21,22,23,24,25)/q-1
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Article
5.5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity of the compound against human neutrophil Receptor.


Bioorg Med Chem Lett 5: 1995-2000 (1995)


Article DOI: 10.1016/0960-894X(95)00340-Y
BindingDB Entry DOI: 10.7270/Q2JW8DVR
More data for this
Ligand-Target Pair
Leukotriene B4 receptor 1


(Homo sapiens (Human))
BDBM50285072
PNG
(CHEMBL305560 | sodium 2-butyl-4-ethyl-5-[6-methyl-...)
Show SMILES CCCCc1cc(CC)c(OCCCCCC(C)(C)c2nn[n-]n2)cc1O
Show InChI InChI=1S/C21H33N4O2/c1-5-7-11-17-14-16(6-2)19(15-18(17)26)27-13-10-8-9-12-21(3,4)20-22-24-25-23-20/h14-15H,5-13H2,1-4H3,(H-,22,23,24,25,26)/q-1
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Article
6.5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity of the compound against human neutrophil Receptor.


Bioorg Med Chem Lett 5: 1995-2000 (1995)


Article DOI: 10.1016/0960-894X(95)00340-Y
BindingDB Entry DOI: 10.7270/Q2JW8DVR
More data for this
Ligand-Target Pair
Leukotriene B4 receptor 1


(Homo sapiens (Human))
BDBM50285072
PNG
(CHEMBL305560 | sodium 2-butyl-4-ethyl-5-[6-methyl-...)
Show SMILES CCCCc1cc(CC)c(OCCCCCC(C)(C)c2nn[n-]n2)cc1O
Show InChI InChI=1S/C21H33N4O2/c1-5-7-11-17-14-16(6-2)19(15-18(17)26)27-13-10-8-9-12-21(3,4)20-22-24-25-23-20/h14-15H,5-13H2,1-4H3,(H-,22,23,24,25,26)/q-1
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Article
11n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity of the compound against human neutrophil Receptor.


Bioorg Med Chem Lett 5: 1995-2000 (1995)


Article DOI: 10.1016/0960-894X(95)00340-Y
BindingDB Entry DOI: 10.7270/Q2JW8DVR
More data for this
Ligand-Target Pair
Leukotriene B4 receptor 1


(Homo sapiens (Human))
BDBM50036743
PNG
(CHEMBL60617 | Sodium salt of 4-Ethyl-5-[6-methyl-6...)
Show SMILES CCCc1cc(CC)c(OCCCCCC(C)(C)c2nn[n-]n2)cc1O
Show InChI InChI=1S/C20H31N4O2/c1-5-10-16-13-15(6-2)18(14-17(16)25)26-12-9-7-8-11-20(3,4)19-21-23-24-22-19/h13-14H,5-12H2,1-4H3,(H-,21,22,23,24,25)/q-1
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Article
14n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against Guinea pig membrane LTB4 Receptor.


Bioorg Med Chem Lett 5: 1995-2000 (1995)


Article DOI: 10.1016/0960-894X(95)00340-Y
BindingDB Entry DOI: 10.7270/Q2JW8DVR
More data for this
Ligand-Target Pair
Leukotriene B4 receptor 1


(Homo sapiens (Human))
BDBM50280286
PNG
(4-ethyl-5-[6-methyl-6-(2H-1,2,3,4-tetraazol-5-yl)h...)
Show SMILES CCCCCOc1cc(CC)c(OCCCCCC(C)(C)c2nn[n-]n2)cc1O
Show InChI InChI=1S/C22H35N4O3/c1-5-7-10-13-29-20-15-17(6-2)19(16-18(20)27)28-14-11-8-9-12-22(3,4)21-23-25-26-24-21/h15-16H,5-14H2,1-4H3,(H-,23,24,25,26,27)/q-1
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14n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity of the compound against human neutrophil Receptor.


Bioorg Med Chem Lett 5: 1995-2000 (1995)


Article DOI: 10.1016/0960-894X(95)00340-Y
BindingDB Entry DOI: 10.7270/Q2JW8DVR
More data for this
Ligand-Target Pair
Leukotriene B4 receptor 1


(Homo sapiens (Human))
BDBM50036750
PNG
(2-ethoxy-4-ethyl-5-[6-methyl-6-(2H-1,2,3,4-tetraaz...)
Show SMILES CCOc1cc(CC)c(OCCCCCC(C)(C)c2nn[n-]n2)cc1O
Show InChI InChI=1S/C19H29N4O3/c1-5-14-12-17(25-6-2)15(24)13-16(14)26-11-9-7-8-10-19(3,4)18-20-22-23-21-18/h12-13H,5-11H2,1-4H3,(H-,20,21,22,23,24)/q-1
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Article
14n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against Guinea pig membrane LTB4 Receptor.


Bioorg Med Chem Lett 5: 1995-2000 (1995)


Article DOI: 10.1016/0960-894X(95)00340-Y
BindingDB Entry DOI: 10.7270/Q2JW8DVR
More data for this
Ligand-Target Pair
Leukotriene B4 receptor 1


(Homo sapiens (Human))
BDBM50285071
PNG
(CHEMBL62051 | sodium 2,4-diethyl-5-[6-methyl-6-(2H...)
Show SMILES CCc1cc(CC)c(OCCCCCC(C)(C)c2nn[n-]n2)cc1O
Show InChI InChI=1S/C19H29N4O2/c1-5-14-12-15(6-2)17(13-16(14)24)25-11-9-7-8-10-19(3,4)18-20-22-23-21-18/h12-13H,5-11H2,1-4H3,(H-,20,21,22,23,24)/q-1
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Article
17n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against Guinea pig membrane LTB4 Receptor.


Bioorg Med Chem Lett 5: 1995-2000 (1995)


Article DOI: 10.1016/0960-894X(95)00340-Y
BindingDB Entry DOI: 10.7270/Q2JW8DVR
More data for this
Ligand-Target Pair
Leukotriene B4 receptor 1


(Homo sapiens (Human))
BDBM50280286
PNG
(4-ethyl-5-[6-methyl-6-(2H-1,2,3,4-tetraazol-5-yl)h...)
Show SMILES CCCCCOc1cc(CC)c(OCCCCCC(C)(C)c2nn[n-]n2)cc1O
Show InChI InChI=1S/C22H35N4O3/c1-5-7-10-13-29-20-15-17(6-2)19(16-18(20)27)28-14-11-8-9-12-22(3,4)21-23-25-26-24-21/h15-16H,5-14H2,1-4H3,(H-,23,24,25,26,27)/q-1
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23n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against Guinea pig membrane LTB4 Receptor.


Bioorg Med Chem Lett 5: 1995-2000 (1995)


Article DOI: 10.1016/0960-894X(95)00340-Y
BindingDB Entry DOI: 10.7270/Q2JW8DVR
More data for this
Ligand-Target Pair
Leukotriene B4 receptor 1


(Homo sapiens (Human))
BDBM50280290
PNG
(4-ethyl-2-methoxy-5-[6-methyl-6-(2H-1,2,3,4-tetraa...)
Show SMILES CCc1cc(OC)c(O)cc1OCCCCCC(C)(C)c1nn[n-]n1
Show InChI InChI=1S/C18H27N4O3/c1-5-13-11-16(24-4)14(23)12-15(13)25-10-8-6-7-9-18(2,3)17-19-21-22-20-17/h11-12H,5-10H2,1-4H3,(H-,19,20,21,22,23)/q-1
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25n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity of the compound against human neutrophil Receptor.


Bioorg Med Chem Lett 5: 1995-2000 (1995)


Article DOI: 10.1016/0960-894X(95)00340-Y
BindingDB Entry DOI: 10.7270/Q2JW8DVR
More data for this
Ligand-Target Pair
Leukotriene B4 receptor 1


(Homo sapiens (Human))
BDBM50285073
PNG
(CHEMBL58794 | sodium 4-ethyl-2-hexyl-5-[6-methyl-6...)
Show SMILES CCCCCCc1cc(CC)c(OCCCCCC(C)(C)c2nn[n-]n2)cc1O
Show InChI InChI=1S/C23H37N4O2/c1-5-7-8-10-13-19-16-18(6-2)21(17-20(19)28)29-15-12-9-11-14-23(3,4)22-24-26-27-25-22/h16-17H,5-15H2,1-4H3,(H-,24,25,26,27,28)/q-1
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28n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity of the compound against human neutrophil Receptor.


Bioorg Med Chem Lett 5: 1995-2000 (1995)


Article DOI: 10.1016/0960-894X(95)00340-Y
BindingDB Entry DOI: 10.7270/Q2JW8DVR
More data for this
Ligand-Target Pair
Leukotriene B4 receptor 1


(Homo sapiens (Human))
BDBM50285073
PNG
(CHEMBL58794 | sodium 4-ethyl-2-hexyl-5-[6-methyl-6...)
Show SMILES CCCCCCc1cc(CC)c(OCCCCCC(C)(C)c2nn[n-]n2)cc1O
Show InChI InChI=1S/C23H37N4O2/c1-5-7-8-10-13-19-16-18(6-2)21(17-20(19)28)29-15-12-9-11-14-23(3,4)22-24-26-27-25-22/h16-17H,5-15H2,1-4H3,(H-,24,25,26,27,28)/q-1
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33n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against Guinea pig membrane LTB4 Receptor.


Bioorg Med Chem Lett 5: 1995-2000 (1995)


Article DOI: 10.1016/0960-894X(95)00340-Y
BindingDB Entry DOI: 10.7270/Q2JW8DVR
More data for this
Ligand-Target Pair
Leukotriene B4 receptor 1


(Homo sapiens (Human))
BDBM50036749
PNG
(1-{5-ethyl-2-hydroxy-4-[6-methyl-6-(2H-1,2,3,4-tet...)
Show SMILES CCc1cc(C(C)=O)c(O)cc1OCCCCCC(C)(C)c1nn[n-]n1
Show InChI InChI=1S/C19H28N4O3/c1-5-14-11-15(13(2)24)16(25)12-17(14)26-10-8-6-7-9-19(3,4)18-20-22-23-21-18/h11-12H,5-10H2,1-4H3,(H2,20,21,22,23,24,25)/p-1
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66n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against Guinea pig membrane LTB4 Receptor.


Bioorg Med Chem Lett 5: 1995-2000 (1995)


Article DOI: 10.1016/0960-894X(95)00340-Y
BindingDB Entry DOI: 10.7270/Q2JW8DVR
More data for this
Ligand-Target Pair
Leukotriene B4 receptor 1


(Homo sapiens (Human))
BDBM50036749
PNG
(1-{5-ethyl-2-hydroxy-4-[6-methyl-6-(2H-1,2,3,4-tet...)
Show SMILES CCc1cc(C(C)=O)c(O)cc1OCCCCCC(C)(C)c1nn[n-]n1
Show InChI InChI=1S/C19H28N4O3/c1-5-14-11-15(13(2)24)16(25)12-17(14)26-10-8-6-7-9-19(3,4)18-20-22-23-21-18/h11-12H,5-10H2,1-4H3,(H2,20,21,22,23,24,25)/p-1
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128n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity of the compound against human neutrophil Receptor.


Bioorg Med Chem Lett 5: 1995-2000 (1995)


Article DOI: 10.1016/0960-894X(95)00340-Y
BindingDB Entry DOI: 10.7270/Q2JW8DVR
More data for this
Ligand-Target Pair
Leukotriene B4 receptor 1/2


(Homo sapiens (Human))
BDBM50036743
PNG
(CHEMBL60617 | Sodium salt of 4-Ethyl-5-[6-methyl-6...)
Show SMILES CCCc1cc(CC)c(OCCCCCC(C)(C)c2nn[n-]n2)cc1O
Show InChI InChI=1S/C20H31N4O2/c1-5-10-16-13-15(6-2)18(14-17(16)25)26-12-9-7-8-11-20(3,4)19-21-23-24-22-19/h13-14H,5-12H2,1-4H3,(H-,21,22,23,24,25)/q-1
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n/an/a 161n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against Guinea pig membrane LTB4 Receptor.


Bioorg Med Chem Lett 5: 1995-2000 (1995)


Article DOI: 10.1016/0960-894X(95)00340-Y
BindingDB Entry DOI: 10.7270/Q2JW8DVR
More data for this
Ligand-Target Pair
Leukotriene B4 receptor 1/2


(Homo sapiens (Human))
BDBM50285071
PNG
(CHEMBL62051 | sodium 2,4-diethyl-5-[6-methyl-6-(2H...)
Show SMILES CCc1cc(CC)c(OCCCCCC(C)(C)c2nn[n-]n2)cc1O
Show InChI InChI=1S/C19H29N4O2/c1-5-14-12-15(6-2)17(13-16(14)24)25-11-9-7-8-10-19(3,4)18-20-22-23-21-18/h12-13H,5-11H2,1-4H3,(H-,20,21,22,23,24)/q-1
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n/an/a 179n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
LTB4-induced up-regulation of CD11b/CD18 in human neutrophils


Bioorg Med Chem Lett 5: 1995-2000 (1995)


Article DOI: 10.1016/0960-894X(95)00340-Y
BindingDB Entry DOI: 10.7270/Q2JW8DVR
More data for this
Ligand-Target Pair
Leukotriene B4 receptor 1/2


(Homo sapiens (Human))
BDBM50036750
PNG
(2-ethoxy-4-ethyl-5-[6-methyl-6-(2H-1,2,3,4-tetraaz...)
Show SMILES CCOc1cc(CC)c(OCCCCCC(C)(C)c2nn[n-]n2)cc1O
Show InChI InChI=1S/C19H29N4O3/c1-5-14-12-17(25-6-2)15(24)13-16(14)26-11-9-7-8-10-19(3,4)18-20-22-23-21-18/h12-13H,5-11H2,1-4H3,(H-,20,21,22,23,24)/q-1
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n/an/a 206n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity of the compound against human neutrophil Receptor.


Bioorg Med Chem Lett 5: 1995-2000 (1995)


Article DOI: 10.1016/0960-894X(95)00340-Y
BindingDB Entry DOI: 10.7270/Q2JW8DVR
More data for this
Ligand-Target Pair
Leukotriene B4 receptor 1/2


(Homo sapiens (Human))
BDBM50280290
PNG
(4-ethyl-2-methoxy-5-[6-methyl-6-(2H-1,2,3,4-tetraa...)
Show SMILES CCc1cc(OC)c(O)cc1OCCCCCC(C)(C)c1nn[n-]n1
Show InChI InChI=1S/C18H27N4O3/c1-5-13-11-16(24-4)14(23)12-15(13)25-10-8-6-7-9-18(2,3)17-19-21-22-20-17/h11-12H,5-10H2,1-4H3,(H-,19,20,21,22,23)/q-1
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Article
n/an/a 282n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
LTB4-induced up-regulation of CD11b/CD18 in human neutrophils


Bioorg Med Chem Lett 5: 1995-2000 (1995)


Article DOI: 10.1016/0960-894X(95)00340-Y
BindingDB Entry DOI: 10.7270/Q2JW8DVR
More data for this
Ligand-Target Pair
Leukotriene B4 receptor 1/2


(Homo sapiens (Human))
BDBM50285072
PNG
(CHEMBL305560 | sodium 2-butyl-4-ethyl-5-[6-methyl-...)
Show SMILES CCCCc1cc(CC)c(OCCCCCC(C)(C)c2nn[n-]n2)cc1O
Show InChI InChI=1S/C21H33N4O2/c1-5-7-11-17-14-16(6-2)19(15-18(17)26)27-13-10-8-9-12-21(3,4)20-22-24-25-23-20/h14-15H,5-13H2,1-4H3,(H-,22,23,24,25,26)/q-1
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n/an/a 308n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against Guinea pig membrane LTB4 Receptor.


Bioorg Med Chem Lett 5: 1995-2000 (1995)


Article DOI: 10.1016/0960-894X(95)00340-Y
BindingDB Entry DOI: 10.7270/Q2JW8DVR
More data for this
Ligand-Target Pair
Leukotriene B4 receptor 1/2


(Homo sapiens (Human))
BDBM50280286
PNG
(4-ethyl-5-[6-methyl-6-(2H-1,2,3,4-tetraazol-5-yl)h...)
Show SMILES CCCCCOc1cc(CC)c(OCCCCCC(C)(C)c2nn[n-]n2)cc1O
Show InChI InChI=1S/C22H35N4O3/c1-5-7-10-13-29-20-15-17(6-2)19(16-18(20)27)28-14-11-8-9-12-22(3,4)21-23-25-26-24-21/h15-16H,5-14H2,1-4H3,(H-,23,24,25,26,27)/q-1
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n/an/a 395n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
LTB4-induced up-regulation of CD11b/CD18 in human neutrophils


Bioorg Med Chem Lett 5: 1995-2000 (1995)


Article DOI: 10.1016/0960-894X(95)00340-Y
BindingDB Entry DOI: 10.7270/Q2JW8DVR
More data for this
Ligand-Target Pair
Leukotriene B4 receptor 1/2


(Homo sapiens (Human))
BDBM50285073
PNG
(CHEMBL58794 | sodium 4-ethyl-2-hexyl-5-[6-methyl-6...)
Show SMILES CCCCCCc1cc(CC)c(OCCCCCC(C)(C)c2nn[n-]n2)cc1O
Show InChI InChI=1S/C23H37N4O2/c1-5-7-8-10-13-19-16-18(6-2)21(17-20(19)28)29-15-12-9-11-14-23(3,4)22-24-26-27-25-22/h16-17H,5-15H2,1-4H3,(H-,24,25,26,27,28)/q-1
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n/an/a 878n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
LTB4-induced up-regulation of CD11b/CD18 in human neutrophils


Bioorg Med Chem Lett 5: 1995-2000 (1995)


Article DOI: 10.1016/0960-894X(95)00340-Y
BindingDB Entry DOI: 10.7270/Q2JW8DVR
More data for this
Ligand-Target Pair
Leukotriene B4 receptor 1/2


(Homo sapiens (Human))
BDBM50036749
PNG
(1-{5-ethyl-2-hydroxy-4-[6-methyl-6-(2H-1,2,3,4-tet...)
Show SMILES CCc1cc(C(C)=O)c(O)cc1OCCCCCC(C)(C)c1nn[n-]n1
Show InChI InChI=1S/C19H28N4O3/c1-5-14-11-15(13(2)24)16(25)12-17(14)26-10-8-6-7-9-19(3,4)18-20-22-23-21-18/h11-12H,5-10H2,1-4H3,(H2,20,21,22,23,24,25)/p-1
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n/an/a 2.87E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
LTB4-induced up-regulation of CD11b/CD18 in human neutrophils


Bioorg Med Chem Lett 5: 1995-2000 (1995)


Article DOI: 10.1016/0960-894X(95)00340-Y
BindingDB Entry DOI: 10.7270/Q2JW8DVR
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%