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Compile Data Set for Download or QSAR

Found 41 hits with Last Name = 'eggler' and Initial = 'jf'   
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
LTB4R


(Homo sapiens (Human))
BDBM50286748
PNG
((3R,4S)-3-Pyridin-2-ylmethyl-7-(1-quinolin-2-yl-et...)
Show SMILES CC(Oc1ccc2[C@@H](O)[C@H](Cc3ccccn3)COc2c1)c1ccc2ccccc2n1
Show InChI InChI=1S/C26H24N2O3/c1-17(23-12-9-18-6-2-3-8-24(18)28-23)31-21-10-11-22-25(15-21)30-16-19(26(22)29)14-20-7-4-5-13-27-20/h2-13,15,17,19,26,29H,14,16H2,1H3/t17?,19-,26+/m1/s1
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240n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human neutrophil leukotriene B4 (LTB4)


Bioorg Med Chem Lett 5: 887-892 (1995)


Article DOI: 10.1016/0960-894X(95)00135-G
BindingDB Entry DOI: 10.7270/Q2J966BX
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor 1


(GUINEA PIG)
BDBM50284686
PNG
((3S,4S)-6-(6-Methyl-5-nitro-pyridin-2-ylmethoxy)-3...)
Show SMILES Cc1nc(COc2ccc3OC[C@H](Cc4cccnc4)[C@H](O)c3c2)ccc1[N+]([O-])=O
Show InChI InChI=1S/C22H21N3O5/c1-14-20(25(27)28)6-4-17(24-14)13-29-18-5-7-21-19(10-18)22(26)16(12-30-21)9-15-3-2-8-23-11-15/h2-8,10-11,16,22,26H,9,12-13H2,1H3/t16-,22-/m0/s1
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240n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for the inhibition of [3H]-leukotriene D4 binding to LTD4 receptor in guinea pig lung membranes


Bioorg Med Chem Lett 5: 1371-1376 (1995)


Article DOI: 10.1016/0960-894X(95)00226-J
BindingDB Entry DOI: 10.7270/Q2QR4X29
More data for this
Ligand-Target Pair
LTB4R


(Homo sapiens (Human))
BDBM50001610
PNG
(7-[3-(4-Acetyl-3-methoxy-2-propyl-phenoxy)-propoxy...)
Show SMILES CCCc1c(OCCCOc2ccc3CCC(Oc3c2CCC)C(O)=O)ccc(C(C)=O)c1OC
Show InChI InChI=1S/C28H36O7/c1-5-8-21-23(13-10-19-11-14-25(28(30)31)35-26(19)21)33-16-7-17-34-24-15-12-20(18(3)29)27(32-4)22(24)9-6-2/h10,12-13,15,25H,5-9,11,14,16-17H2,1-4H3,(H,30,31)
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280n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro antagonist activity against leukotriene B4 (LTB4) receptor in [3H]-LTB4 human neutrophil receptor binding assay


Bioorg Med Chem Lett 5: 887-892 (1995)


Article DOI: 10.1016/0960-894X(95)00135-G
BindingDB Entry DOI: 10.7270/Q2J966BX
More data for this
Ligand-Target Pair
LTB4R


(Homo sapiens (Human))
BDBM50286747
PNG
((3R,4S)-3-Pyridin-3-ylmethyl-7-((R)-1-quinolin-2-y...)
Show SMILES C[C@@H](Oc1ccc2[C@@H](O)[C@H](Cc3cccnc3)COc2c1)c1ccc2ccccc2n1
Show InChI InChI=1S/C26H24N2O3/c1-17(23-11-8-19-6-2-3-7-24(19)28-23)31-21-9-10-22-25(14-21)30-16-20(26(22)29)13-18-5-4-12-27-15-18/h2-12,14-15,17,20,26,29H,13,16H2,1H3/t17-,20-,26+/m1/s1
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330n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human neutrophil leukotriene B4 (LTB4)


Bioorg Med Chem Lett 5: 887-892 (1995)


Article DOI: 10.1016/0960-894X(95)00135-G
BindingDB Entry DOI: 10.7270/Q2J966BX
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor 1


(GUINEA PIG)
BDBM50284680
PNG
((3S,4S)-3-Pyridin-3-ylmethyl-6-(quinolin-2-ylmetho...)
Show SMILES O[C@H]1[C@@H](Cc2cccnc2)COc2ccc(OCc3ccc4ccccc4n3)cc12
Show InChI InChI=1S/C25H22N2O3/c28-25-19(12-17-4-3-11-26-14-17)15-30-24-10-9-21(13-22(24)25)29-16-20-8-7-18-5-1-2-6-23(18)27-20/h1-11,13-14,19,25,28H,12,15-16H2/t19-,25-/m0/s1
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650n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [3H]-LTD4 binding to LTD4 receptor in guinea pig lung membranes


Bioorg Med Chem Lett 5: 1365-1370 (1995)


Article DOI: 10.1016/0960-894X(95)00225-I
BindingDB Entry DOI: 10.7270/Q2VH5NSM
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor 1


(GUINEA PIG)
BDBM50286750
PNG
((3R,4S)-3-Pyridin-3-ylmethyl-6-(quinolin-2-ylmetho...)
Show SMILES O[C@H]1[C@H](Cc2cccnc2)COc2ccc(OCc3ccc4ccccc4n3)cc12
Show InChI InChI=1S/C25H22N2O3/c28-25-19(12-17-4-3-11-26-14-17)15-30-24-10-9-21(13-22(24)25)29-16-20-8-7-18-5-1-2-6-23(18)27-20/h1-11,13-14,19,25,28H,12,15-16H2/t19-,25+/m1/s1
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1.00E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against leukotriene D4 receptor


Bioorg Med Chem Lett 5: 887-892 (1995)


Article DOI: 10.1016/0960-894X(95)00135-G
BindingDB Entry DOI: 10.7270/Q2J966BX
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor 1


(GUINEA PIG)
BDBM50286746
PNG
((3S,4S)-3-Pyridin-3-ylmethyl-7-(quinolin-2-ylmetho...)
Show SMILES O[C@H]1[C@@H](Cc2cccnc2)COc2cc(OCc3ccc4ccccc4n3)ccc12
Show InChI InChI=1S/C25H22N2O3/c28-25-19(12-17-4-3-11-26-14-17)15-30-24-13-21(9-10-22(24)25)29-16-20-8-7-18-5-1-2-6-23(18)27-20/h1-11,13-14,19,25,28H,12,15-16H2/t19-,25-/m0/s1
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1.30E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against leukotriene D4 receptor


Bioorg Med Chem Lett 5: 887-892 (1995)


Article DOI: 10.1016/0960-894X(95)00135-G
BindingDB Entry DOI: 10.7270/Q2J966BX
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor 1


(GUINEA PIG)
BDBM50284682
PNG
(2-Benzyl-7-(quinolin-2-ylmethoxy)-1,2,3,4-tetrahyd...)
Show SMILES O[C@H]1[C@H](Cc2ccccc2)CCc2ccc(OCc3ccc4ccccc4n3)cc12
Show InChI InChI=1S/C27H25NO2/c29-27-22(16-19-6-2-1-3-7-19)11-10-20-13-15-24(17-25(20)27)30-18-23-14-12-21-8-4-5-9-26(21)28-23/h1-9,12-15,17,22,27,29H,10-11,16,18H2/t22-,27-/m0/s1
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1.50E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [3H]-LTD4 binding to LTD4 receptor in guinea pig lung membranes


Bioorg Med Chem Lett 5: 1365-1370 (1995)


Article DOI: 10.1016/0960-894X(95)00225-I
BindingDB Entry DOI: 10.7270/Q2VH5NSM
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor 1


(GUINEA PIG)
BDBM50284685
PNG
((3S,4S)-6-(5-Bromo-6-methyl-pyridin-2-ylmethoxy)-3...)
Show SMILES Cc1nc(COc2ccc3OC[C@H](Cc4cccnc4)[C@H](O)c3c2)ccc1Br
Show InChI InChI=1S/C22H21BrN2O3/c1-14-20(23)6-4-17(25-14)13-27-18-5-7-21-19(10-18)22(26)16(12-28-21)9-15-3-2-8-24-11-15/h2-8,10-11,16,22,26H,9,12-13H2,1H3/t16-,22-/m0/s1
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1.56E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for the inhibition of [3H]-leukotriene D4 binding to LTD4 receptor in guinea pig lung membranes


Bioorg Med Chem Lett 5: 1371-1376 (1995)


Article DOI: 10.1016/0960-894X(95)00226-J
BindingDB Entry DOI: 10.7270/Q2QR4X29
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor 1


(GUINEA PIG)
BDBM50284680
PNG
((3S,4S)-3-Pyridin-3-ylmethyl-6-(quinolin-2-ylmetho...)
Show SMILES O[C@H]1[C@@H](Cc2cccnc2)COc2ccc(OCc3ccc4ccccc4n3)cc12
Show InChI InChI=1S/C25H22N2O3/c28-25-19(12-17-4-3-11-26-14-17)15-30-24-10-9-21(13-22(24)25)29-16-20-8-7-18-5-1-2-6-23(18)27-20/h1-11,13-14,19,25,28H,12,15-16H2/t19-,25-/m0/s1
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1.60E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human leukotriene D4 (LTD4)


Bioorg Med Chem Lett 5: 887-892 (1995)


Article DOI: 10.1016/0960-894X(95)00135-G
BindingDB Entry DOI: 10.7270/Q2J966BX
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor 1


(GUINEA PIG)
BDBM50284680
PNG
((3S,4S)-3-Pyridin-3-ylmethyl-6-(quinolin-2-ylmetho...)
Show SMILES O[C@H]1[C@@H](Cc2cccnc2)COc2ccc(OCc3ccc4ccccc4n3)cc12
Show InChI InChI=1S/C25H22N2O3/c28-25-19(12-17-4-3-11-26-14-17)15-30-24-10-9-21(13-22(24)25)29-16-20-8-7-18-5-1-2-6-23(18)27-20/h1-11,13-14,19,25,28H,12,15-16H2/t19-,25-/m0/s1
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1.64E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for the inhibition of [3H]-leukotriene D4 binding to LTD4 receptor in guinea pig lung membranes


Bioorg Med Chem Lett 5: 1371-1376 (1995)


Article DOI: 10.1016/0960-894X(95)00226-J
BindingDB Entry DOI: 10.7270/Q2QR4X29
More data for this
Ligand-Target Pair
Leukotriene B4 receptor


(Homo sapiens (Human))
BDBM50286743
PNG
((3R,4S)-3-Pyridin-3-ylmethyl-7-((S)-1-quinolin-2-y...)
Show SMILES C[C@H](Oc1ccc2[C@@H](O)[C@H](Cc3cccnc3)COc2c1)c1ccc2ccccc2n1
Show InChI InChI=1S/C26H24N2O3/c1-17(23-11-8-19-6-2-3-7-24(19)28-23)31-21-9-10-22-25(14-21)30-16-20(26(22)29)13-18-5-4-12-27-15-18/h2-12,14-15,17,20,26,29H,13,16H2,1H3/t17-,20+,26-/m0/s1
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1.90E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human neutrophil leukotriene B4 (LTB4)


Bioorg Med Chem Lett 5: 887-892 (1995)


Article DOI: 10.1016/0960-894X(95)00135-G
BindingDB Entry DOI: 10.7270/Q2J966BX
More data for this
Ligand-Target Pair
LTB4R


(Homo sapiens (Human))
BDBM50286745
PNG
((3S,4S)-3-Pyridin-2-ylmethyl-7-(1-quinolin-2-yl-et...)
Show SMILES CC(Oc1ccc2[C@@H](O)[C@@H](Cc3ccccn3)COc2c1)c1ccc2ccccc2n1
Show InChI InChI=1S/C26H24N2O3/c1-17(23-12-9-18-6-2-3-8-24(18)28-23)31-21-10-11-22-25(15-21)30-16-19(26(22)29)14-20-7-4-5-13-27-20/h2-13,15,17,19,26,29H,14,16H2,1H3/t17?,19-,26-/m0/s1
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3.30E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human neutrophil leukotriene B4 (LTB4)


Bioorg Med Chem Lett 5: 887-892 (1995)


Article DOI: 10.1016/0960-894X(95)00135-G
BindingDB Entry DOI: 10.7270/Q2J966BX
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor 1


(GUINEA PIG)
BDBM50286744
PNG
((3R,4S)-3-Pyridin-3-ylmethyl-7-(quinolin-2-ylmetho...)
Show SMILES O[C@H]1[C@H](Cc2cccnc2)COc2cc(OCc3ccc4ccccc4n3)ccc12
Show InChI InChI=1S/C25H22N2O3/c28-25-19(12-17-4-3-11-26-14-17)15-30-24-13-21(9-10-22(24)25)29-16-20-8-7-18-5-1-2-6-23(18)27-20/h1-11,13-14,19,25,28H,12,15-16H2/t19-,25+/m1/s1
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4.10E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against leukotriene D4 receptor


Bioorg Med Chem Lett 5: 887-892 (1995)


Article DOI: 10.1016/0960-894X(95)00135-G
BindingDB Entry DOI: 10.7270/Q2J966BX
More data for this
Ligand-Target Pair
LTB4R


(Homo sapiens (Human))
BDBM50286749
PNG
((3S,4S)-3-Pyridin-3-ylmethyl-7-(1-quinolin-2-yl-et...)
Show SMILES CC(Oc1ccc2[C@@H](O)[C@@H](Cc3cccnc3)COc2c1)c1ccc2ccccc2n1
Show InChI InChI=1S/C26H24N2O3/c1-17(23-11-8-19-6-2-3-7-24(19)28-23)31-21-9-10-22-25(14-21)30-16-20(26(22)29)13-18-5-4-12-27-15-18/h2-12,14-15,17,20,26,29H,13,16H2,1H3/t17?,20-,26-/m0/s1
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5.20E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human neutrophil leukotriene B4 (LTB4)


Bioorg Med Chem Lett 5: 887-892 (1995)


Article DOI: 10.1016/0960-894X(95)00135-G
BindingDB Entry DOI: 10.7270/Q2J966BX
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor 1


(GUINEA PIG)
BDBM50284681
PNG
(2-Butyl-7-(quinolin-2-ylmethoxy)-1,2,3,4-tetrahydr...)
Show SMILES CCCCC1CCc2ccc(OCc3ccc4ccccc4n3)cc2C1O
Show InChI InChI=1S/C24H27NO2/c1-2-3-6-19-10-9-17-12-14-21(15-22(17)24(19)26)27-16-20-13-11-18-7-4-5-8-23(18)25-20/h4-5,7-8,11-15,19,24,26H,2-3,6,9-10,16H2,1H3
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6.80E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [3H]-LTD4 binding to LTD4 receptor in guinea pig lung membranes


Bioorg Med Chem Lett 5: 1365-1370 (1995)


Article DOI: 10.1016/0960-894X(95)00225-I
BindingDB Entry DOI: 10.7270/Q2VH5NSM
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor 1


(GUINEA PIG)
BDBM50012434
PNG
((REV-5,901)1-[3-(Quinolin-2-ylmethoxy)-phenyl]-hex...)
Show SMILES CCCCCC(O)c1cccc(OCc2ccc3ccccc3n2)c1
Show InChI InChI=1S/C22H25NO2/c1-2-3-4-12-22(24)18-9-7-10-20(15-18)25-16-19-14-13-17-8-5-6-11-21(17)23-19/h5-11,13-15,22,24H,2-4,12,16H2,1H3
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8.00E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [3H]-LTD4 binding to LTD4 receptor in guinea pig lung membranes


Bioorg Med Chem Lett 5: 1365-1370 (1995)


Article DOI: 10.1016/0960-894X(95)00225-I
BindingDB Entry DOI: 10.7270/Q2VH5NSM
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor 1


(GUINEA PIG)
BDBM50012434
PNG
((REV-5,901)1-[3-(Quinolin-2-ylmethoxy)-phenyl]-hex...)
Show SMILES CCCCCC(O)c1cccc(OCc2ccc3ccccc3n2)c1
Show InChI InChI=1S/C22H25NO2/c1-2-3-4-12-22(24)18-9-7-10-20(15-18)25-16-19-14-13-17-8-5-6-11-21(17)23-19/h5-11,13-15,22,24H,2-4,12,16H2,1H3
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8.00E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for the inhibition of [3H]-leukotriene D4 binding to LTD4 receptor in guinea pig lung membranes


Bioorg Med Chem Lett 5: 1371-1376 (1995)


Article DOI: 10.1016/0960-894X(95)00226-J
BindingDB Entry DOI: 10.7270/Q2QR4X29
More data for this
Ligand-Target Pair
LTB4R


(Homo sapiens (Human))
BDBM50286750
PNG
((3R,4S)-3-Pyridin-3-ylmethyl-6-(quinolin-2-ylmetho...)
Show SMILES O[C@H]1[C@H](Cc2cccnc2)COc2ccc(OCc3ccc4ccccc4n3)cc12
Show InChI InChI=1S/C25H22N2O3/c28-25-19(12-17-4-3-11-26-14-17)15-30-24-10-9-21(13-22(24)25)29-16-20-8-7-18-5-1-2-6-23(18)27-20/h1-11,13-14,19,25,28H,12,15-16H2/t19-,25+/m1/s1
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1.60E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human neutrophil leukotriene B4 (LTB4)


Bioorg Med Chem Lett 5: 887-892 (1995)


Article DOI: 10.1016/0960-894X(95)00135-G
BindingDB Entry DOI: 10.7270/Q2J966BX
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor 1


(GUINEA PIG)
BDBM50284683
PNG
((3S,4S)-6-(6-Chloro-pyridin-2-ylmethoxy)-3-pyridin...)
Show SMILES O[C@H]1[C@@H](Cc2cccnc2)COc2ccc(OCc3cccc(Cl)n3)cc12
Show InChI InChI=1S/C21H19ClN2O3/c22-20-5-1-4-16(24-20)13-26-17-6-7-19-18(10-17)21(25)15(12-27-19)9-14-3-2-8-23-11-14/h1-8,10-11,15,21,25H,9,12-13H2/t15-,21-/m0/s1
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2.34E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for the inhibition of [3H]-leukotriene D4 binding to LTD4 receptor in guinea pig lung membranes


Bioorg Med Chem Lett 5: 1371-1376 (1995)


Article DOI: 10.1016/0960-894X(95)00226-J
BindingDB Entry DOI: 10.7270/Q2QR4X29
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor 1


(GUINEA PIG)
BDBM50070921
PNG
(3-[(3R,4R)-6-(5-Fluoro-benzothiazol-2-ylmethoxy)-4...)
Show SMILES O[C@@H]1[C@H](Cc2cccc(c2)C(O)=O)COc2ccc(OCc3nc4cc(F)ccc4s3)cc12
Show InChI InChI=1S/C25H20FNO5S/c26-17-4-7-22-20(10-17)27-23(33-22)13-31-18-5-6-21-19(11-18)24(28)16(12-32-21)9-14-2-1-3-15(8-14)25(29)30/h1-8,10-11,16,24,28H,9,12-13H2,(H,29,30)/t16-,24-/m1/s1
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2.40E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [3H]-LTD4 binding to LTD4 receptor in guinea pig lung membranes


Bioorg Med Chem Lett 5: 1365-1370 (1995)


Article DOI: 10.1016/0960-894X(95)00225-I
BindingDB Entry DOI: 10.7270/Q2VH5NSM
More data for this
Ligand-Target Pair
LTB4R


(Homo sapiens (Human))
BDBM50284680
PNG
((3S,4S)-3-Pyridin-3-ylmethyl-6-(quinolin-2-ylmetho...)
Show SMILES O[C@H]1[C@@H](Cc2cccnc2)COc2ccc(OCc3ccc4ccccc4n3)cc12
Show InChI InChI=1S/C25H22N2O3/c28-25-19(12-17-4-3-11-26-14-17)15-30-24-10-9-21(13-22(24)25)29-16-20-8-7-18-5-1-2-6-23(18)27-20/h1-11,13-14,19,25,28H,12,15-16H2/t19-,25-/m0/s1
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3.80E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human neutrophil leukotriene B4 (LTB4)


Bioorg Med Chem Lett 5: 887-892 (1995)


Article DOI: 10.1016/0960-894X(95)00135-G
BindingDB Entry DOI: 10.7270/Q2J966BX
More data for this
Ligand-Target Pair
LTB4R


(Homo sapiens (Human))
BDBM50286746
PNG
((3S,4S)-3-Pyridin-3-ylmethyl-7-(quinolin-2-ylmetho...)
Show SMILES O[C@H]1[C@@H](Cc2cccnc2)COc2cc(OCc3ccc4ccccc4n3)ccc12
Show InChI InChI=1S/C25H22N2O3/c28-25-19(12-17-4-3-11-26-14-17)15-30-24-13-21(9-10-22(24)25)29-16-20-8-7-18-5-1-2-6-23(18)27-20/h1-11,13-14,19,25,28H,12,15-16H2/t19-,25-/m0/s1
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3.80E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human neutrophil leukotriene B4 (LTB4)


Bioorg Med Chem Lett 5: 887-892 (1995)


Article DOI: 10.1016/0960-894X(95)00135-G
BindingDB Entry DOI: 10.7270/Q2J966BX
More data for this
Ligand-Target Pair
LTB4R


(Homo sapiens (Human))
BDBM50286744
PNG
((3R,4S)-3-Pyridin-3-ylmethyl-7-(quinolin-2-ylmetho...)
Show SMILES O[C@H]1[C@H](Cc2cccnc2)COc2cc(OCc3ccc4ccccc4n3)ccc12
Show InChI InChI=1S/C25H22N2O3/c28-25-19(12-17-4-3-11-26-14-17)15-30-24-13-21(9-10-22(24)25)29-16-20-8-7-18-5-1-2-6-23(18)27-20/h1-11,13-14,19,25,28H,12,15-16H2/t19-,25+/m1/s1
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3.90E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibitory activity was evaluated against leukotriene B4 (LTB4) in guinea pig binding assay


Bioorg Med Chem Lett 5: 887-892 (1995)


Article DOI: 10.1016/0960-894X(95)00135-G
BindingDB Entry DOI: 10.7270/Q2J966BX
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor 1


(GUINEA PIG)
BDBM50286747
PNG
((3R,4S)-3-Pyridin-3-ylmethyl-7-((R)-1-quinolin-2-y...)
Show SMILES C[C@@H](Oc1ccc2[C@@H](O)[C@H](Cc3cccnc3)COc2c1)c1ccc2ccccc2n1
Show InChI InChI=1S/C26H24N2O3/c1-17(23-11-8-19-6-2-3-7-24(19)28-23)31-21-9-10-22-25(14-21)30-16-20(26(22)29)13-18-5-4-12-27-15-18/h2-12,14-15,17,20,26,29H,13,16H2,1H3/t17-,20-,26+/m1/s1
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>5.00E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against leukotriene D4 receptor


Bioorg Med Chem Lett 5: 887-892 (1995)


Article DOI: 10.1016/0960-894X(95)00135-G
BindingDB Entry DOI: 10.7270/Q2J966BX
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor 1


(GUINEA PIG)
BDBM50286745
PNG
((3S,4S)-3-Pyridin-2-ylmethyl-7-(1-quinolin-2-yl-et...)
Show SMILES CC(Oc1ccc2[C@@H](O)[C@@H](Cc3ccccn3)COc2c1)c1ccc2ccccc2n1
Show InChI InChI=1S/C26H24N2O3/c1-17(23-12-9-18-6-2-3-8-24(18)28-23)31-21-10-11-22-25(15-21)30-16-19(26(22)29)14-20-7-4-5-13-27-20/h2-13,15,17,19,26,29H,14,16H2,1H3/t17?,19-,26-/m0/s1
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>5.00E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against leukotriene D4 receptor


Bioorg Med Chem Lett 5: 887-892 (1995)


Article DOI: 10.1016/0960-894X(95)00135-G
BindingDB Entry DOI: 10.7270/Q2J966BX
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor 1


(GUINEA PIG)
BDBM50286748
PNG
((3R,4S)-3-Pyridin-2-ylmethyl-7-(1-quinolin-2-yl-et...)
Show SMILES CC(Oc1ccc2[C@@H](O)[C@H](Cc3ccccn3)COc2c1)c1ccc2ccccc2n1
Show InChI InChI=1S/C26H24N2O3/c1-17(23-12-9-18-6-2-3-8-24(18)28-23)31-21-10-11-22-25(15-21)30-16-19(26(22)29)14-20-7-4-5-13-27-20/h2-13,15,17,19,26,29H,14,16H2,1H3/t17?,19-,26+/m1/s1
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>5.00E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against leukotriene D4 receptor


Bioorg Med Chem Lett 5: 887-892 (1995)


Article DOI: 10.1016/0960-894X(95)00135-G
BindingDB Entry DOI: 10.7270/Q2J966BX
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor 1


(GUINEA PIG)
BDBM50286743
PNG
((3R,4S)-3-Pyridin-3-ylmethyl-7-((S)-1-quinolin-2-y...)
Show SMILES C[C@H](Oc1ccc2[C@@H](O)[C@H](Cc3cccnc3)COc2c1)c1ccc2ccccc2n1
Show InChI InChI=1S/C26H24N2O3/c1-17(23-11-8-19-6-2-3-7-24(19)28-23)31-21-9-10-22-25(14-21)30-16-20(26(22)29)13-18-5-4-12-27-15-18/h2-12,14-15,17,20,26,29H,13,16H2,1H3/t17-,20+,26-/m0/s1
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>5.00E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against leukotriene D4 receptor


Bioorg Med Chem Lett 5: 887-892 (1995)


Article DOI: 10.1016/0960-894X(95)00135-G
BindingDB Entry DOI: 10.7270/Q2J966BX
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor 1


(GUINEA PIG)
BDBM50286749
PNG
((3S,4S)-3-Pyridin-3-ylmethyl-7-(1-quinolin-2-yl-et...)
Show SMILES CC(Oc1ccc2[C@@H](O)[C@@H](Cc3cccnc3)COc2c1)c1ccc2ccccc2n1
Show InChI InChI=1S/C26H24N2O3/c1-17(23-11-8-19-6-2-3-7-24(19)28-23)31-21-9-10-22-25(14-21)30-16-20(26(22)29)13-18-5-4-12-27-15-18/h2-12,14-15,17,20,26,29H,13,16H2,1H3/t17?,20-,26-/m0/s1
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>5.00E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against leukotriene D4 receptor


Bioorg Med Chem Lett 5: 887-892 (1995)


Article DOI: 10.1016/0960-894X(95)00135-G
BindingDB Entry DOI: 10.7270/Q2J966BX
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor 1


(GUINEA PIG)
BDBM50284684
PNG
((3S,4S)-6-(6-Methyl-pyridin-2-ylmethoxy)-3-pyridin...)
Show SMILES Cc1cccc(COc2ccc3OC[C@H](Cc4cccnc4)[C@H](O)c3c2)n1
Show InChI InChI=1S/C22H22N2O3/c1-15-4-2-6-18(24-15)14-26-19-7-8-21-20(11-19)22(25)17(13-27-21)10-16-5-3-9-23-12-16/h2-9,11-12,17,22,25H,10,13-14H2,1H3/t17-,22-/m0/s1
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>1.00E+5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for the inhibition of [3H]-leukotriene D4 binding to LTD4 receptor in guinea pig lung membranes


Bioorg Med Chem Lett 5: 1371-1376 (1995)


Article DOI: 10.1016/0960-894X(95)00226-J
BindingDB Entry DOI: 10.7270/Q2QR4X29
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor 1


(GUINEA PIG)
BDBM50284688
PNG
((3S,4S)-6-(Pyridin-2-ylmethoxy)-3-pyridin-3-ylmeth...)
Show SMILES O[C@H]1[C@@H](Cc2cccnc2)COc2ccc(OCc3ccccn3)cc12
Show InChI InChI=1S/C21H20N2O3/c24-21-16(10-15-4-3-8-22-12-15)13-26-20-7-6-18(11-19(20)21)25-14-17-5-1-2-9-23-17/h1-9,11-12,16,21,24H,10,13-14H2/t16-,21-/m0/s1
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TBA

Curated by ChEMBL


Assay Description
Compound was tested for the inhibition of [3H]-leukotriene D4 binding to LTD4 receptor in guinea pig lung membranes


Bioorg Med Chem Lett 5: 1371-1376 (1995)


Article DOI: 10.1016/0960-894X(95)00226-J
BindingDB Entry DOI: 10.7270/Q2QR4X29
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor 1


(GUINEA PIG)
BDBM50284687
PNG
((3S,4S)-6-(6-Fluoro-pyridin-2-ylmethoxy)-3-pyridin...)
Show SMILES O[C@H]1[C@@H](Cc2cccnc2)COc2ccc(OCc3cccc(F)n3)cc12
Show InChI InChI=1S/C21H19FN2O3/c22-20-5-1-4-16(24-20)13-26-17-6-7-19-18(10-17)21(25)15(12-27-19)9-14-3-2-8-23-11-14/h1-8,10-11,15,21,25H,9,12-13H2/t15-,21-/m0/s1
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>1.00E+5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for the inhibition of [3H]-leukotriene D4 binding to LTD4 receptor in guinea pig lung membranes


Bioorg Med Chem Lett 5: 1371-1376 (1995)


Article DOI: 10.1016/0960-894X(95)00226-J
BindingDB Entry DOI: 10.7270/Q2QR4X29
More data for this
Ligand-Target Pair
Leukotriene B4 receptor


(Homo sapiens (Human))
BDBM50001610
PNG
(7-[3-(4-Acetyl-3-methoxy-2-propyl-phenoxy)-propoxy...)
Show SMILES CCCc1c(OCCCOc2ccc3CCC(Oc3c2CCC)C(O)=O)ccc(C(C)=O)c1OC
Show InChI InChI=1S/C28H36O7/c1-5-8-21-23(13-10-19-11-14-25(28(30)31)35-26(19)21)33-16-7-17-34-24-15-12-20(18(3)29)27(32-4)22(24)9-6-2/h10,12-13,15,25H,5-9,11,14,16-17H2,1-4H3,(H,30,31)
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n/an/a 140n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human neutrophil leukotriene B4 (LTB4) induced Chemotaxis


Bioorg Med Chem Lett 5: 887-892 (1995)


Article DOI: 10.1016/0960-894X(95)00135-G
BindingDB Entry DOI: 10.7270/Q2J966BX
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Rattus norvegicus)
BDBM50012434
PNG
((REV-5,901)1-[3-(Quinolin-2-ylmethoxy)-phenyl]-hex...)
Show SMILES CCCCCC(O)c1cccc(OCc2ccc3ccccc3n2)c1
Show InChI InChI=1S/C22H25NO2/c1-2-3-4-12-22(24)18-9-7-10-20(15-18)25-16-19-14-13-17-8-5-6-11-21(17)23-19/h5-11,13-15,22,24H,2-4,12,16H2,1H3
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n/an/a 150n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of 5-Lipoxygenase (5-LO) in rat basophilic leukemic cells


Bioorg Med Chem Lett 5: 1365-1370 (1995)


Article DOI: 10.1016/0960-894X(95)00225-I
BindingDB Entry DOI: 10.7270/Q2VH5NSM
More data for this
Ligand-Target Pair
Leukotriene B4 receptor


(Homo sapiens (Human))
BDBM50286748
PNG
((3R,4S)-3-Pyridin-2-ylmethyl-7-(1-quinolin-2-yl-et...)
Show SMILES CC(Oc1ccc2[C@@H](O)[C@H](Cc3ccccn3)COc2c1)c1ccc2ccccc2n1
Show InChI InChI=1S/C26H24N2O3/c1-17(23-12-9-18-6-2-3-8-24(18)28-23)31-21-10-11-22-25(15-21)30-16-19(26(22)29)14-20-7-4-5-13-27-20/h2-13,15,17,19,26,29H,14,16H2,1H3/t17?,19-,26+/m1/s1
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n/an/a 220n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human neutrophil leukotriene B4 (LTB4) induced Chemotaxis


Bioorg Med Chem Lett 5: 887-892 (1995)


Article DOI: 10.1016/0960-894X(95)00135-G
BindingDB Entry DOI: 10.7270/Q2J966BX
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Rattus norvegicus)
BDBM50284680
PNG
((3S,4S)-3-Pyridin-3-ylmethyl-6-(quinolin-2-ylmetho...)
Show SMILES O[C@H]1[C@@H](Cc2cccnc2)COc2ccc(OCc3ccc4ccccc4n3)cc12
Show InChI InChI=1S/C25H22N2O3/c28-25-19(12-17-4-3-11-26-14-17)15-30-24-10-9-21(13-22(24)25)29-16-20-8-7-18-5-1-2-6-23(18)27-20/h1-11,13-14,19,25,28H,12,15-16H2/t19-,25-/m0/s1
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TBA

Curated by ChEMBL


Assay Description
Inhibition of 5-Lipoxygenase (5-LO) in rat basophilic leukemia cells


Bioorg Med Chem Lett 5: 1365-1370 (1995)


Article DOI: 10.1016/0960-894X(95)00225-I
BindingDB Entry DOI: 10.7270/Q2VH5NSM
More data for this
Ligand-Target Pair
Leukotriene B4 receptor


(Homo sapiens (Human))
BDBM50286747
PNG
((3R,4S)-3-Pyridin-3-ylmethyl-7-((R)-1-quinolin-2-y...)
Show SMILES C[C@@H](Oc1ccc2[C@@H](O)[C@H](Cc3cccnc3)COc2c1)c1ccc2ccccc2n1
Show InChI InChI=1S/C26H24N2O3/c1-17(23-11-8-19-6-2-3-7-24(19)28-23)31-21-9-10-22-25(14-21)30-16-20(26(22)29)13-18-5-4-12-27-15-18/h2-12,14-15,17,20,26,29H,13,16H2,1H3/t17-,20-,26+/m1/s1
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TBA

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human neutrophil leukotriene B4 (LTB4) induced Chemotaxis


Bioorg Med Chem Lett 5: 887-892 (1995)


Article DOI: 10.1016/0960-894X(95)00135-G
BindingDB Entry DOI: 10.7270/Q2J966BX
More data for this
Ligand-Target Pair
LTB4R


(Homo sapiens (Human))
BDBM50286743
PNG
((3R,4S)-3-Pyridin-3-ylmethyl-7-((S)-1-quinolin-2-y...)
Show SMILES C[C@H](Oc1ccc2[C@@H](O)[C@H](Cc3cccnc3)COc2c1)c1ccc2ccccc2n1
Show InChI InChI=1S/C26H24N2O3/c1-17(23-11-8-19-6-2-3-7-24(19)28-23)31-21-9-10-22-25(14-21)30-16-20(26(22)29)13-18-5-4-12-27-15-18/h2-12,14-15,17,20,26,29H,13,16H2,1H3/t17-,20+,26-/m0/s1
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TBA

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human neutrophil leukotriene B4 (LTB4) induced Chemotaxis


Bioorg Med Chem Lett 5: 887-892 (1995)


Article DOI: 10.1016/0960-894X(95)00135-G
BindingDB Entry DOI: 10.7270/Q2J966BX
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Rattus norvegicus)
BDBM50070921
PNG
(3-[(3R,4R)-6-(5-Fluoro-benzothiazol-2-ylmethoxy)-4...)
Show SMILES O[C@@H]1[C@H](Cc2cccc(c2)C(O)=O)COc2ccc(OCc3nc4cc(F)ccc4s3)cc12
Show InChI InChI=1S/C25H20FNO5S/c26-17-4-7-22-20(10-17)27-23(33-22)13-31-18-5-6-21-19(11-18)24(28)16(12-32-21)9-14-2-1-3-15(8-14)25(29)30/h1-8,10-11,16,24,28H,9,12-13H2,(H,29,30)/t16-,24-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

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Article
n/an/a 8.10E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of 5-Lipoxygenase (5-LO) in rat basophilic leukemia cells


Bioorg Med Chem Lett 5: 1365-1370 (1995)


Article DOI: 10.1016/0960-894X(95)00225-I
BindingDB Entry DOI: 10.7270/Q2VH5NSM
More data for this
Ligand-Target Pair
Leukotriene B4 receptor


(Homo sapiens (Human))
BDBM50286745
PNG
((3S,4S)-3-Pyridin-2-ylmethyl-7-(1-quinolin-2-yl-et...)
Show SMILES CC(Oc1ccc2[C@@H](O)[C@@H](Cc3ccccn3)COc2c1)c1ccc2ccccc2n1
Show InChI InChI=1S/C26H24N2O3/c1-17(23-12-9-18-6-2-3-8-24(18)28-23)31-21-10-11-22-25(15-21)30-16-19(26(22)29)14-20-7-4-5-13-27-20/h2-13,15,17,19,26,29H,14,16H2,1H3/t17?,19-,26-/m0/s1
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antibodypedia
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n/an/a 1.40E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human neutrophil leukotriene B4 (LTB4) induced Chemotaxis


Bioorg Med Chem Lett 5: 887-892 (1995)


Article DOI: 10.1016/0960-894X(95)00135-G
BindingDB Entry DOI: 10.7270/Q2J966BX
More data for this
Ligand-Target Pair
Leukotriene B4 receptor


(Homo sapiens (Human))
BDBM50286749
PNG
((3S,4S)-3-Pyridin-3-ylmethyl-7-(1-quinolin-2-yl-et...)
Show SMILES CC(Oc1ccc2[C@@H](O)[C@@H](Cc3cccnc3)COc2c1)c1ccc2ccccc2n1
Show InChI InChI=1S/C26H24N2O3/c1-17(23-11-8-19-6-2-3-7-24(19)28-23)31-21-9-10-22-25(14-21)30-16-20(26(22)29)13-18-5-4-12-27-15-18/h2-12,14-15,17,20,26,29H,13,16H2,1H3/t17?,20-,26-/m0/s1
UniProtKB/SwissProt

antibodypedia
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Article
n/an/a 3.80E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human neutrophil leukotriene B4 (LTB4) induced Chemotaxis


Bioorg Med Chem Lett 5: 887-892 (1995)


Article DOI: 10.1016/0960-894X(95)00135-G
BindingDB Entry DOI: 10.7270/Q2J966BX
More data for this
Ligand-Target Pair