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Compile Data Set for Download or QSAR

Found 32 hits Enz. Inhib. hit(s) with all data for entry = 50005895   
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))
BDBM50042180
PNG
(3-{1-Hydroxy-2-[6-(3-hydroxy-undec-1-enyl)-pyridin...)
Show SMILES CCCCCCCCC(O)\C=C\c1cccc(CC(O)c2cccc(c2)C(O)=O)n1
Show InChI InChI=1S/C25H33NO4/c1-2-3-4-5-6-7-14-23(27)16-15-21-12-9-13-22(26-21)18-24(28)19-10-8-11-20(17-19)25(29)30/h8-13,15-17,23-24,27-28H,2-7,14,18H2,1H3,(H,29,30)/b16-15+
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1n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity of [3H]-LTB4 to receptors on intact human polymorphonuclear leukocytes


J Med Chem 36: 3321-32 (1993)


BindingDB Entry DOI: 10.7270/Q2G73CRX
More data for this
Ligand-Target Pair
Leukotriene B4 receptor 1


(Homo sapiens (Human))
BDBM50042182
PNG
((E)-3-{6-(3-Amino-benzenesulfinylmethyl)-3-[8-(4-m...)
Show SMILES COc1ccc(CCCCCCCCOc2ccc(CS(=O)c3cccc(N)c3)nc2C=CC(O)=O)cc1 |w:32.34|
Show InChI InChI=1S/C30H36N2O5S/c1-36-26-15-12-23(13-16-26)9-6-4-2-3-5-7-20-37-29-18-14-25(32-28(29)17-19-30(33)34)22-38(35)27-11-8-10-24(31)21-27/h8,10-19,21H,2-7,9,20,22,31H2,1H3,(H,33,34)
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4.70n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity of [3H]-LTB4 to receptors on intact human polymorphonuclear leukocytes


J Med Chem 36: 3321-32 (1993)


BindingDB Entry DOI: 10.7270/Q2G73CRX
More data for this
Ligand-Target Pair
Leukotriene B4 receptor 1


(Homo sapiens (Human))
BDBM50042165
PNG
(3-[6-(3-Amino-benzenesulfinylmethyl)-3-(8-phenyl-o...)
Show SMILES Nc1cccc(c1)S(=O)Cc1ccc(OCCCCCCCCc2ccccc2)c(C=CC(O)=O)n1 |w:31.33|
Show InChI InChI=1S/C29H34N2O4S/c30-24-14-10-15-26(21-24)36(34)22-25-16-18-28(27(31-25)17-19-29(32)33)35-20-9-4-2-1-3-6-11-23-12-7-5-8-13-23/h5,7-8,10,12-19,21H,1-4,6,9,11,20,22,30H2,(H,32,33)
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11n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity of [3H]-LTB4 to receptors on intact human polymorphonuclear leukocytes


J Med Chem 36: 3321-32 (1993)


BindingDB Entry DOI: 10.7270/Q2G73CRX
More data for this
Ligand-Target Pair
Leukotriene B4 receptor 1


(Homo sapiens (Human))
BDBM50042175
PNG
(3-{6-(3-Amino-benzenesulfinylmethyl)-3-[8-(4-fluor...)
Show SMILES Nc1cccc(c1)S(=O)Cc1ccc(OCCCCCCCCc2ccc(F)cc2)c(C=CC(O)=O)n1 |w:32.34|
Show InChI InChI=1S/C29H33FN2O4S/c30-23-13-11-22(12-14-23)8-5-3-1-2-4-6-19-36-28-17-15-25(32-27(28)16-18-29(33)34)21-37(35)26-10-7-9-24(31)20-26/h7,9-18,20H,1-6,8,19,21,31H2,(H,33,34)
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12n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity of [3H]-LTB4 to receptors on intact human polymorphonuclear leukocytes


J Med Chem 36: 3321-32 (1993)


BindingDB Entry DOI: 10.7270/Q2G73CRX
More data for this
Ligand-Target Pair
Leukotriene B4 receptor 1


(Homo sapiens (Human))
BDBM50042161
PNG
(3-{6-(3-Amino-benzenesulfinylmethyl)-3-[8-(4-trifl...)
Show SMILES Nc1cccc(c1)S(=O)Cc1ccc(OCCCCCCCCc2ccc(cc2)C(F)(F)F)c(C=CC(O)=O)n1 |w:35.37|
Show InChI InChI=1S/C30H33F3N2O4S/c31-30(32,33)23-13-11-22(12-14-23)8-5-3-1-2-4-6-19-39-28-17-15-25(35-27(28)16-18-29(36)37)21-40(38)26-10-7-9-24(34)20-26/h7,9-18,20H,1-6,8,19,21,34H2,(H,36,37)
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14n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity of [3H]-LTB4 to receptors on intact human polymorphonuclear leukocytes


J Med Chem 36: 3321-32 (1993)


BindingDB Entry DOI: 10.7270/Q2G73CRX
More data for this
Ligand-Target Pair
Leukotriene B4 receptor 1


(Homo sapiens (Human))
BDBM50042168
PNG
(3-{6-(3-Amino-phenylsulfanylmethyl)-3-[8-(4-methox...)
Show SMILES COc1ccc(CCCCCCCCOc2ccc(CSc3cccc(N)c3)nc2\C=C\C(O)=O)cc1
Show InChI InChI=1S/C30H36N2O4S/c1-35-26-15-12-23(13-16-26)9-6-4-2-3-5-7-20-36-29-18-14-25(32-28(29)17-19-30(33)34)22-37-27-11-8-10-24(31)21-27/h8,10-19,21H,2-7,9,20,22,31H2,1H3,(H,33,34)/b19-17+
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34n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity of [3H]-LTB4 to receptors on intact human polymorphonuclear leukocytes


J Med Chem 36: 3321-32 (1993)


BindingDB Entry DOI: 10.7270/Q2G73CRX
More data for this
Ligand-Target Pair
Leukotriene B4 receptor 1


(Homo sapiens (Human))
BDBM50042174
PNG
(3-{6-(3-Amino-benzenesulfonylmethyl)-3-[8-(4-metho...)
Show SMILES COc1ccc(CCCCCCCCOc2ccc(CS(=O)(=O)c3cccc(N)c3)nc2\C=C\C(O)=O)cc1
Show InChI InChI=1S/C30H36N2O6S/c1-37-26-15-12-23(13-16-26)9-6-4-2-3-5-7-20-38-29-18-14-25(32-28(29)17-19-30(33)34)22-39(35,36)27-11-8-10-24(31)21-27/h8,10-19,21H,2-7,9,20,22,31H2,1H3,(H,33,34)/b19-17+
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36n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity of [3H]-LTB4 to receptors on intact human polymorphonuclear leukocytes


J Med Chem 36: 3321-32 (1993)


BindingDB Entry DOI: 10.7270/Q2G73CRX
More data for this
Ligand-Target Pair
Leukotriene B4 receptor 1


(Homo sapiens (Human))
BDBM50042158
PNG
(3-[6-(3-Amino-phenylsulfanylmethyl)-3-(8-phenyl-oc...)
Show SMILES Nc1cccc(SCc2ccc(OCCCCCCCCc3ccccc3)c(\C=C\C(O)=O)n2)c1
Show InChI InChI=1S/C29H34N2O3S/c30-24-14-10-15-26(21-24)35-22-25-16-18-28(27(31-25)17-19-29(32)33)34-20-9-4-2-1-3-6-11-23-12-7-5-8-13-23/h5,7-8,10,12-19,21H,1-4,6,9,11,20,22,30H2,(H,32,33)/b19-17+
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36n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity of [3H]-LTB4 to receptors on intact human polymorphonuclear leukocytes


J Med Chem 36: 3321-32 (1993)


BindingDB Entry DOI: 10.7270/Q2G73CRX
More data for this
Ligand-Target Pair
Leukotriene B4 receptor 1


(Homo sapiens (Human))
BDBM50042169
PNG
(3-{6-Benzenesulfinylmethyl-3-[8-(4-methoxy-phenyl)...)
Show SMILES COc1ccc(CCCCCCCCOc2ccc(CS(=O)c3ccccc3)nc2C=CC(O)=O)cc1 |w:31.33|
Show InChI InChI=1S/C30H35NO5S/c1-35-26-17-14-24(15-18-26)11-7-4-2-3-5-10-22-36-29-20-16-25(31-28(29)19-21-30(32)33)23-37(34)27-12-8-6-9-13-27/h6,8-9,12-21H,2-5,7,10-11,22-23H2,1H3,(H,32,33)
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37n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity of [3H]-LTB4 to receptors on intact human polymorphonuclear leukocytes


J Med Chem 36: 3321-32 (1993)


BindingDB Entry DOI: 10.7270/Q2G73CRX
More data for this
Ligand-Target Pair
Leukotriene B4 receptor 1


(Homo sapiens (Human))
BDBM50042181
PNG
(3-{6-(3-Amino-phenylsulfanylmethyl)-3-[8-(4-triflu...)
Show SMILES Nc1cccc(SCc2ccc(OCCCCCCCCc3ccc(cc3)C(F)(F)F)c(\C=C\C(O)=O)n2)c1
Show InChI InChI=1S/C30H33F3N2O3S/c31-30(32,33)23-13-11-22(12-14-23)8-5-3-1-2-4-6-19-38-28-17-15-25(35-27(28)16-18-29(36)37)21-39-26-10-7-9-24(34)20-26/h7,9-18,20H,1-6,8,19,21,34H2,(H,36,37)/b18-16+
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43n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity of [3H]-LTB4 to receptors on intact human polymorphonuclear leukocytes


J Med Chem 36: 3321-32 (1993)


BindingDB Entry DOI: 10.7270/Q2G73CRX
More data for this
Ligand-Target Pair
Leukotriene B4 receptor 1


(Homo sapiens (Human))
BDBM50042156
PNG
(3-{3-[8-(4-Methoxy-phenyl)-octyloxy]-6-[3-(oxalyl-...)
Show SMILES COc1ccc(CCCCCCCCOc2ccc(CSc3cccc(NC(=O)C(O)=O)c3)nc2\C=C\C(O)=O)cc1
Show InChI InChI=1S/C32H36N2O7S/c1-40-26-15-12-23(13-16-26)9-6-4-2-3-5-7-20-41-29-18-14-25(33-28(29)17-19-30(35)36)22-42-27-11-8-10-24(21-27)34-31(37)32(38)39/h8,10-19,21H,2-7,9,20,22H2,1H3,(H,34,37)(H,35,36)(H,38,39)/b19-17+
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72n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity of [3H]-LTB4 to receptors on intact human polymorphonuclear leukocytes


J Med Chem 36: 3321-32 (1993)


BindingDB Entry DOI: 10.7270/Q2G73CRX
More data for this
Ligand-Target Pair
Leukotriene B4 receptor 1


(Homo sapiens (Human))
BDBM50042179
PNG
(3-{3-[8-(4-Methoxy-phenyl)-octyloxy]-6-phenylsulfa...)
Show SMILES COc1ccc(CCCCCCCCOc2ccc(CSc3ccccc3)nc2\C=C\C(O)=O)cc1
Show InChI InChI=1S/C30H35NO4S/c1-34-26-17-14-24(15-18-26)11-7-4-2-3-5-10-22-35-29-20-16-25(31-28(29)19-21-30(32)33)23-36-27-12-8-6-9-13-27/h6,8-9,12-21H,2-5,7,10-11,22-23H2,1H3,(H,32,33)/b21-19+
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74n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity of [3H]-LTB4 to receptors on intact human polymorphonuclear leukocytes


J Med Chem 36: 3321-32 (1993)


BindingDB Entry DOI: 10.7270/Q2G73CRX
More data for this
Ligand-Target Pair
Leukotriene B4 receptor 1


(Homo sapiens (Human))
BDBM50037384
PNG
(3-{6-((E)-2-Carboxy-vinyl)-5-[8-(4-methoxy-phenyl)...)
Show SMILES COc1ccc(CCCCCCCCOc2ccc(CSc3cccc(c3)C(O)=O)nc2\C=C\C(O)=O)cc1
Show InChI InChI=1S/C31H35NO6S/c1-37-26-15-12-23(13-16-26)9-6-4-2-3-5-7-20-38-29-18-14-25(32-28(29)17-19-30(33)34)22-39-27-11-8-10-24(21-27)31(35)36/h8,10-19,21H,2-7,9,20,22H2,1H3,(H,33,34)(H,35,36)/b19-17+
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80n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity of [3H]-LTB4 to receptors on intact human polymorphonuclear leukocytes


J Med Chem 36: 3321-32 (1993)


BindingDB Entry DOI: 10.7270/Q2G73CRX
More data for this
Ligand-Target Pair
Leukotriene B4 receptor 1


(Homo sapiens (Human))
BDBM50042159
PNG
(3-[6-(2-Carboxy-vinyl)-5-dodecyloxy-pyridin-2-ylme...)
Show SMILES CCCCCCCCCCCCOc1ccc(CS(=O)c2cccc(c2)C(O)=O)nc1C=CC(O)=O |w:32.34|
Show InChI InChI=1S/C28H37NO6S/c1-2-3-4-5-6-7-8-9-10-11-19-35-26-17-15-23(29-25(26)16-18-27(30)31)21-36(34)24-14-12-13-22(20-24)28(32)33/h12-18,20H,2-11,19,21H2,1H3,(H,30,31)(H,32,33)
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129n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity of [3H]-LTB4 to receptors on intact human polymorphonuclear leukocytes


J Med Chem 36: 3321-32 (1993)


BindingDB Entry DOI: 10.7270/Q2G73CRX
More data for this
Ligand-Target Pair
Leukotriene B4 receptor 1


(Homo sapiens (Human))
BDBM50042166
PNG
(3-{6-(3-Benzenesulfonylamino-benzenesulfinylmethyl...)
Show SMILES COc1ccc(CCCCCCCCOc2ccc(CS(=O)c3cccc(NS(=O)(=O)c4ccccc4)c3)nc2C=CC(O)=O)cc1 |w:41.44|
Show InChI InChI=1S/C36H40N2O7S2/c1-44-31-20-17-28(18-21-31)12-7-4-2-3-5-10-25-45-35-23-19-30(37-34(35)22-24-36(39)40)27-46(41)32-14-11-13-29(26-32)38-47(42,43)33-15-8-6-9-16-33/h6,8-9,11,13-24,26,38H,2-5,7,10,12,25,27H2,1H3,(H,39,40)
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147n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity of [3H]-LTB4 to receptors on intact human polymorphonuclear leukocytes


J Med Chem 36: 3321-32 (1993)


BindingDB Entry DOI: 10.7270/Q2G73CRX
More data for this
Ligand-Target Pair
Leukotriene B4 receptor 1


(Homo sapiens (Human))
BDBM50042183
PNG
(3-[6-(2-Carboxy-vinyl)-5-dodecyloxy-pyridin-2-ylme...)
Show SMILES CCCCCCCCCCCCOc1ccc(CS(=O)(=O)c2cccc(c2)C(O)=O)nc1\C=C\C(O)=O
Show InChI InChI=1S/C28H37NO7S/c1-2-3-4-5-6-7-8-9-10-11-19-36-26-17-15-23(29-25(26)16-18-27(30)31)21-37(34,35)24-14-12-13-22(20-24)28(32)33/h12-18,20H,2-11,19,21H2,1H3,(H,30,31)(H,32,33)/b18-16+
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148n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity of [3H]-LTB4 to receptors on intact human polymorphonuclear leukocytes


J Med Chem 36: 3321-32 (1993)


BindingDB Entry DOI: 10.7270/Q2G73CRX
More data for this
Ligand-Target Pair
Leukotriene B4 receptor 1


(Homo sapiens (Human))
BDBM50042184
PNG
(3-{6-(2-Carboxy-vinyl)-5-[8-(4-methoxy-phenyl)-oct...)
Show SMILES COc1ccc(CCCCCCCCOc2ccc(COc3cccc(c3)C(O)=O)[n+]([O-])c2\C=C\C(O)=O)cc1
Show InChI InChI=1S/C31H35NO8/c1-38-26-15-12-23(13-16-26)9-6-4-2-3-5-7-20-39-29-18-14-25(32(37)28(29)17-19-30(33)34)22-40-27-11-8-10-24(21-27)31(35)36/h8,10-19,21H,2-7,9,20,22H2,1H3,(H,33,34)(H,35,36)/b19-17+
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150n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity of [3H]-LTB4 to receptors on intact human polymorphonuclear leukocytes


J Med Chem 36: 3321-32 (1993)


BindingDB Entry DOI: 10.7270/Q2G73CRX
More data for this
Ligand-Target Pair
Leukotriene B4 receptor 1


(Homo sapiens (Human))
BDBM50037377
PNG
(3-{6-((E)-2-Carboxy-vinyl)-5-[8-(4-methoxy-phenyl)...)
Show SMILES COc1ccc(CCCCCCCCOc2ccc(CS(=O)c3cccc(c3)C(O)=O)nc2C=CC(O)=O)cc1 |w:34.36|
Show InChI InChI=1S/C31H35NO7S/c1-38-26-15-12-23(13-16-26)9-6-4-2-3-5-7-20-39-29-18-14-25(32-28(29)17-19-30(33)34)22-40(37)27-11-8-10-24(21-27)31(35)36/h8,10-19,21H,2-7,9,20,22H2,1H3,(H,33,34)(H,35,36)
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151n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity of [3H]-LTB4 to receptors on intact human polymorphonuclear leukocytes


J Med Chem 36: 3321-32 (1993)


BindingDB Entry DOI: 10.7270/Q2G73CRX
More data for this
Ligand-Target Pair
Leukotriene B4 receptor 1


(Homo sapiens (Human))
BDBM50042163
PNG
(3-(2-{6-(2-Carboxy-vinyl)-5-[6-(4-methoxy-phenyl)-...)
Show SMILES COc1ccc(CCCCCCOc2ccc(CC(O)c3cccc(c3)C(O)=O)nc2\C=C\C(O)=O)cc1
Show InChI InChI=1S/C30H33NO7/c1-37-25-13-10-21(11-14-25)7-4-2-3-5-18-38-28-16-12-24(31-26(28)15-17-29(33)34)20-27(32)22-8-6-9-23(19-22)30(35)36/h6,8-17,19,27,32H,2-5,7,18,20H2,1H3,(H,33,34)(H,35,36)/b17-15+
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165n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity of [3H]-LTB4 to receptors on intact human polymorphonuclear leukocytes


J Med Chem 36: 3321-32 (1993)


BindingDB Entry DOI: 10.7270/Q2G73CRX
More data for this
Ligand-Target Pair
Leukotriene B4 receptor 1


(Homo sapiens (Human))
BDBM50042157
PNG
(3-[3-[8-(4-Methoxy-phenyl)-octyloxy]-6-(3-methoxy-...)
Show SMILES COc1ccc(CCCCCCCCOc2ccc(CSc3cccc(OC)c3)nc2\C=C\C(O)=O)cc1
Show InChI InChI=1S/C31H37NO5S/c1-35-26-16-13-24(14-17-26)10-7-5-3-4-6-8-21-37-30-19-15-25(32-29(30)18-20-31(33)34)23-38-28-12-9-11-27(22-28)36-2/h9,11-20,22H,3-8,10,21,23H2,1-2H3,(H,33,34)/b20-18+
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192n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity of [3H]-LTB4 to receptors on intact human polymorphonuclear leukocytes


J Med Chem 36: 3321-32 (1993)


BindingDB Entry DOI: 10.7270/Q2G73CRX
More data for this
Ligand-Target Pair
Leukotriene B4 receptor 1


(Homo sapiens (Human))
BDBM50042160
PNG
(3-[3-[8-(4-Methoxy-phenyl)-octyloxy]-6-(3-trifluor...)
Show SMILES COc1ccc(CCCCCCCCOc2ccc(CS(=O)c3cccc(CS(=O)(=O)C(F)(F)F)c3)nc2C=CC(O)=O)cc1 |w:39.41|
Show InChI InChI=1S/C32H36F3NO7S2/c1-42-27-15-12-24(13-16-27)9-6-4-2-3-5-7-20-43-30-18-14-26(36-29(30)17-19-31(37)38)22-44(39)28-11-8-10-25(21-28)23-45(40,41)32(33,34)35/h8,10-19,21H,2-7,9,20,22-23H2,1H3,(H,37,38)
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225n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity of [3H]-LTB4 to receptors on intact human polymorphonuclear leukocytes


J Med Chem 36: 3321-32 (1993)


BindingDB Entry DOI: 10.7270/Q2G73CRX
More data for this
Ligand-Target Pair
Leukotriene B4 receptor 1


(Homo sapiens (Human))
BDBM50042162
PNG
(3-{6-(3-Methoxy-benzenesulfinylmethyl)-3-[8-(4-met...)
Show SMILES COc1ccc(CCCCCCCCOc2ccc(CS(=O)c3cccc(OC)c3)nc2C=CC(O)=O)cc1 |w:33.35|
Show InChI InChI=1S/C31H37NO6S/c1-36-26-16-13-24(14-17-26)10-7-5-3-4-6-8-21-38-30-19-15-25(32-29(30)18-20-31(33)34)23-39(35)28-12-9-11-27(22-28)37-2/h9,11-20,22H,3-8,10,21,23H2,1-2H3,(H,33,34)
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232n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity of [3H]-LTB4 to receptors on intact human polymorphonuclear leukocytes


J Med Chem 36: 3321-32 (1993)


BindingDB Entry DOI: 10.7270/Q2G73CRX
More data for this
Ligand-Target Pair
Leukotriene B4 receptor 1


(Homo sapiens (Human))
BDBM50042177
PNG
(3-{6-(3-Dimethylamino-benzenesulfinylmethyl)-3-[8-...)
Show SMILES COc1ccc(CCCCCCCCOc2ccc(CS(=O)c3cccc(c3)N(C)C)nc2C=CC(O)=O)cc1 |w:34.36|
Show InChI InChI=1S/C32H40N2O5S/c1-34(2)27-12-10-13-29(23-27)40(37)24-26-16-20-31(30(33-26)19-21-32(35)36)39-22-9-7-5-4-6-8-11-25-14-17-28(38-3)18-15-25/h10,12-21,23H,4-9,11,22,24H2,1-3H3,(H,35,36)
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245n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity of [3H]-LTB4 to receptors on intact human polymorphonuclear leukocytes


J Med Chem 36: 3321-32 (1993)


BindingDB Entry DOI: 10.7270/Q2G73CRX
More data for this
Ligand-Target Pair
Leukotriene B4 receptor 1


(Homo sapiens (Human))
BDBM50042164
PNG
(4-[6-(2-Carboxy-vinyl)-5-dodecyloxy-pyridin-2-ylme...)
Show SMILES CCCCCCCCCCCCOc1ccc(CS(=O)c2ccc(cc2)C(O)=O)nc1C=CC(O)=O |w:32.34|
Show InChI InChI=1S/C28H37NO6S/c1-2-3-4-5-6-7-8-9-10-11-20-35-26-18-14-23(29-25(26)17-19-27(30)31)21-36(34)24-15-12-22(13-16-24)28(32)33/h12-19H,2-11,20-21H2,1H3,(H,30,31)(H,32,33)
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252n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity of [3H]-LTB4 to receptors on intact human polymorphonuclear leukocytes


J Med Chem 36: 3321-32 (1993)


BindingDB Entry DOI: 10.7270/Q2G73CRX
More data for this
Ligand-Target Pair
Leukotriene B4 receptor 1


(Homo sapiens (Human))
BDBM50042170
PNG
(3-{2-[6-(2-Carboxy-vinyl)-5-decyloxy-pyridin-2-yl]...)
Show SMILES CCCCCCCCCCOc1ccc(CC(O)c2cccc(c2)C(O)=O)nc1\C=C\C(O)=O
Show InChI InChI=1S/C27H35NO6/c1-2-3-4-5-6-7-8-9-17-34-25-15-13-22(28-23(25)14-16-26(30)31)19-24(29)20-11-10-12-21(18-20)27(32)33/h10-16,18,24,29H,2-9,17,19H2,1H3,(H,30,31)(H,32,33)/b16-14+
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282n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity of [3H]-LTB4 to receptors on intact human polymorphonuclear leukocytes


J Med Chem 36: 3321-32 (1993)


BindingDB Entry DOI: 10.7270/Q2G73CRX
More data for this
Ligand-Target Pair
Leukotriene B4 receptor 1


(Homo sapiens (Human))
BDBM50042155
PNG
(3-[3-[8-(4-Methoxy-phenyl)-octyloxy]-6-(3-trifluor...)
Show SMILES COc1ccc(CCCCCCCCOc2ccc(CSc3cccc(NS(=O)(=O)C(F)(F)F)c3)nc2\C=C\C(O)=O)cc1
Show InChI InChI=1S/C31H35F3N2O6S2/c1-41-26-15-12-23(13-16-26)9-6-4-2-3-5-7-20-42-29-18-14-25(35-28(29)17-19-30(37)38)22-43-27-11-8-10-24(21-27)36-44(39,40)31(32,33)34/h8,10-19,21,36H,2-7,9,20,22H2,1H3,(H,37,38)/b19-17+
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284n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity of [3H]-LTB4 to receptors on intact human polymorphonuclear leukocytes


J Med Chem 36: 3321-32 (1993)


BindingDB Entry DOI: 10.7270/Q2G73CRX
More data for this
Ligand-Target Pair
Leukotriene B4 receptor 1


(Homo sapiens (Human))
BDBM50042167
PNG
(3-[6-(2-Carboxy-vinyl)-5-dodecyloxy-1-oxy-pyridin-...)
Show SMILES CCCCCCCCCCCCOc1ccc(COc2cccc(c2)C(O)=O)[n+]([O-])c1\C=C\C(O)=O
Show InChI InChI=1S/C28H37NO7/c1-2-3-4-5-6-7-8-9-10-11-19-35-26-17-15-23(29(34)25(26)16-18-27(30)31)21-36-24-14-12-13-22(20-24)28(32)33/h12-18,20H,2-11,19,21H2,1H3,(H,30,31)(H,32,33)/b18-16+
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338n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity of [3H]-LTB4 to receptors on intact human polymorphonuclear leukocytes


J Med Chem 36: 3321-32 (1993)


BindingDB Entry DOI: 10.7270/Q2G73CRX
More data for this
Ligand-Target Pair
Leukotriene B4 receptor 1


(Homo sapiens (Human))
BDBM50042178
PNG
(3-{2-[6-(2-Carboxy-ethyl)-5-decyloxy-pyridin-2-yl]...)
Show SMILES CCCCCCCCCCOc1ccc(CC(O)c2cccc(c2)C(O)=O)nc1CCC(O)=O
Show InChI InChI=1S/C27H37NO6/c1-2-3-4-5-6-7-8-9-17-34-25-15-13-22(28-23(25)14-16-26(30)31)19-24(29)20-11-10-12-21(18-20)27(32)33/h10-13,15,18,24,29H,2-9,14,16-17,19H2,1H3,(H,30,31)(H,32,33)
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429n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity of [3H]-LTB4 to receptors on intact human polymorphonuclear leukocytes


J Med Chem 36: 3321-32 (1993)


BindingDB Entry DOI: 10.7270/Q2G73CRX
More data for this
Ligand-Target Pair
Leukotriene B4 receptor 1


(Homo sapiens (Human))
BDBM50042171
PNG
(2-[6-(2-Carboxy-vinyl)-5-dodecyloxy-pyridin-2-ylme...)
Show SMILES CCCCCCCCCCCCOc1ccc(CS(=O)c2ccccc2C(O)=O)nc1C=CC(O)=O |w:32.34|
Show InChI InChI=1S/C28H37NO6S/c1-2-3-4-5-6-7-8-9-10-13-20-35-25-18-16-22(29-24(25)17-19-27(30)31)21-36(34)26-15-12-11-14-23(26)28(32)33/h11-12,14-19H,2-10,13,20-21H2,1H3,(H,30,31)(H,32,33)
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478n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity of [3H]-LTB4 to receptors on intact human polymorphonuclear leukocytes


J Med Chem 36: 3321-32 (1993)


BindingDB Entry DOI: 10.7270/Q2G73CRX
More data for this
Ligand-Target Pair
Leukotriene B4 receptor 1


(Homo sapiens (Human))
BDBM50042176
PNG
(3-{6-(3-Benzenesulfonylamino-phenylsulfanylmethyl)...)
Show SMILES COc1ccc(CCCCCCCCOc2ccc(CSc3cccc(NS(=O)(=O)c4ccccc4)c3)nc2\C=C\C(O)=O)cc1
Show InChI InChI=1S/C36H40N2O6S2/c1-43-31-20-17-28(18-21-31)12-7-4-2-3-5-10-25-44-35-23-19-30(37-34(35)22-24-36(39)40)27-45-32-14-11-13-29(26-32)38-46(41,42)33-15-8-6-9-16-33/h6,8-9,11,13-24,26,38H,2-5,7,10,12,25,27H2,1H3,(H,39,40)/b24-22+
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609n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity of [3H]-LTB4 to receptors on intact human polymorphonuclear leukocytes


J Med Chem 36: 3321-32 (1993)


BindingDB Entry DOI: 10.7270/Q2G73CRX
More data for this
Ligand-Target Pair
Leukotriene B4 receptor 1


(Homo sapiens (Human))
BDBM50042173
PNG
(3-{6-(3-Dimethylamino-phenylsulfanylmethyl)-3-[8-(...)
Show SMILES COc1ccc(CCCCCCCCOc2ccc(CSc3cccc(c3)N(C)C)nc2\C=C\C(O)=O)cc1
Show InChI InChI=1S/C32H40N2O4S/c1-34(2)27-12-10-13-29(23-27)39-24-26-16-20-31(30(33-26)19-21-32(35)36)38-22-9-7-5-4-6-8-11-25-14-17-28(37-3)18-15-25/h10,12-21,23H,4-9,11,22,24H2,1-3H3,(H,35,36)/b21-19+
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789n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity of [3H]-LTB4 to receptors on intact human polymorphonuclear leukocytes


J Med Chem 36: 3321-32 (1993)


BindingDB Entry DOI: 10.7270/Q2G73CRX
More data for this
Ligand-Target Pair
Leukotriene B4 receptor 1


(Homo sapiens (Human))
BDBM50042172
PNG
(3-[6-(2-Carboxy-vinyl)-5-dodecyloxy-pyridin-2-ylme...)
Show SMILES CCCCCCCCCCCCOc1ccc(COc2cccc(c2)C(O)=O)nc1\C=C\C(O)=O
Show InChI InChI=1S/C28H37NO6/c1-2-3-4-5-6-7-8-9-10-11-19-34-26-17-15-23(29-25(26)16-18-27(30)31)21-35-24-14-12-13-22(20-24)28(32)33/h12-18,20H,2-11,19,21H2,1H3,(H,30,31)(H,32,33)/b18-16+
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1.13E+3n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity of [3H]-LTB4 to receptors on intact human polymorphonuclear leukocytes


J Med Chem 36: 3321-32 (1993)


BindingDB Entry DOI: 10.7270/Q2G73CRX
More data for this
Ligand-Target Pair