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Compile Data Set for Download or QSAR

Found 221 hits of ki data for polymerid = 49000702   
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
Leukotriene B4 receptor 1


(Homo sapiens (Human))
BDBM50029464
PNG
(5-(2-Carboxy-ethyl)-6-[3-(5-ethyl-4'-fluoro-2-hydr...)
Show SMILES CCc1cc(c(O)cc1OCCCOc1ccc2c(oc3ccc(cc3c2=O)C(O)=O)c1CCC(O)=O)-c1ccc(F)cc1
Show InChI InChI=1S/C34H29FO9/c1-2-19-16-25(20-4-7-22(35)8-5-20)27(36)18-30(19)43-15-3-14-42-28-12-9-24-32(39)26-17-21(34(40)41)6-11-29(26)44-33(24)23(28)10-13-31(37)38/h4-9,11-12,16-18,36H,2-3,10,13-15H2,1H3,(H,37,38)(H,40,41)
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0.0400n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Tested for inhibition of specific binding of [3H]LTB4 to guinea pig lung membranes expressing LTB4 receptor


J Med Chem 36: 3982-4 (1994)


BindingDB Entry DOI: 10.7270/Q2H1313H
More data for this
Ligand-Target Pair
Leukotriene B4 receptor 1


(Homo sapiens (Human))
BDBM50029464
PNG
(5-(2-Carboxy-ethyl)-6-[3-(5-ethyl-4'-fluoro-2-hydr...)
Show SMILES CCc1cc(c(O)cc1OCCCOc1ccc2c(oc3ccc(cc3c2=O)C(O)=O)c1CCC(O)=O)-c1ccc(F)cc1
Show InChI InChI=1S/C34H29FO9/c1-2-19-16-25(20-4-7-22(35)8-5-20)27(36)18-30(19)43-15-3-14-42-28-12-9-24-32(39)26-17-21(34(40)41)6-11-29(26)44-33(24)23(28)10-13-31(37)38/h4-9,11-12,16-18,36H,2-3,10,13-15H2,1H3,(H,37,38)(H,40,41)
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0.0400n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
LTB4 receptor antagonist activity was determined by inhibition of specific binding of [3H]-LTB4 in guinea pig lung membranes


Bioorg Med Chem Lett 4: 2077-2082 (1994)


Article DOI: 10.1016/S0960-894X(01)80105-0
BindingDB Entry DOI: 10.7270/Q27D2V2X
More data for this
Ligand-Target Pair
Leukotriene B4 receptor 1


(Homo sapiens (Human))
BDBM50283055
PNG
(5-{3-(2-Carboxy-ethyl)-4-[3-(5-ethyl-4'-fluoro-2-h...)
Show SMILES CCc1cc(c(O)cc1OCCCOc1ccc(cc1CCC(O)=O)C#CCCC(O)=O)-c1ccc(F)cc1
Show InChI InChI=1S/C31H31FO7/c1-2-22-19-26(23-9-12-25(32)13-10-23)27(33)20-29(22)39-17-5-16-38-28-14-8-21(6-3-4-7-30(34)35)18-24(28)11-15-31(36)37/h8-10,12-14,18-20,33H,2,4-5,7,11,15-17H2,1H3,(H,34,35)(H,36,37)
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0.0730n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
LTB4 receptor antagonist activity was determined by inhibition of specific binding of [3H]-LTB4 in human neutrophil


Bioorg Med Chem Lett 4: 2077-2082 (1994)


Article DOI: 10.1016/S0960-894X(01)80105-0
BindingDB Entry DOI: 10.7270/Q27D2V2X
More data for this
Ligand-Target Pair
Leukotriene B4 receptor 1


(Homo sapiens (Human))
BDBM50283055
PNG
(5-{3-(2-Carboxy-ethyl)-4-[3-(5-ethyl-4'-fluoro-2-h...)
Show SMILES CCc1cc(c(O)cc1OCCCOc1ccc(cc1CCC(O)=O)C#CCCC(O)=O)-c1ccc(F)cc1
Show InChI InChI=1S/C31H31FO7/c1-2-22-19-26(23-9-12-25(32)13-10-23)27(33)20-29(22)39-17-5-16-38-28-14-8-21(6-3-4-7-30(34)35)18-24(28)11-15-31(36)37/h8-10,12-14,18-20,33H,2,4-5,7,11,15-17H2,1H3,(H,34,35)(H,36,37)
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0.0730n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
LTB4 receptor antagonist activity was determined by inhibition of specific binding of [3H]-LTB4 in guinea pig lung membranes


Bioorg Med Chem Lett 4: 2077-2082 (1994)


Article DOI: 10.1016/S0960-894X(01)80105-0
BindingDB Entry DOI: 10.7270/Q27D2V2X
More data for this
Ligand-Target Pair
Leukotriene B4 receptor 1


(Homo sapiens (Human))
BDBM50029477
PNG
(5-(2-Carboxy-ethyl)-6-[3-(5-ethyl-2-hydroxy-biphen...)
Show SMILES CCc1cc(c(O)cc1OCCCOc1ccc2c(oc3ccc(cc3c2=O)C(O)=O)c1CCC(O)=O)-c1ccccc1
Show InChI InChI=1S/C34H30O9/c1-2-20-17-25(21-7-4-3-5-8-21)27(35)19-30(20)42-16-6-15-41-28-13-10-24-32(38)26-18-22(34(39)40)9-12-29(26)43-33(24)23(28)11-14-31(36)37/h3-5,7-10,12-13,17-19,35H,2,6,11,14-16H2,1H3,(H,36,37)(H,39,40)
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0.110n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Tested for inhibition of specific binding of [3H]-LTB4 to guinea pig lung membranes expressing LTB4 receptor


J Med Chem 36: 3982-4 (1994)


BindingDB Entry DOI: 10.7270/Q2H1313H
More data for this
Ligand-Target Pair
Leukotriene B4 receptor 1


(Homo sapiens (Human))
BDBM50013889
PNG
((5S,6Z,8E,10E,12R,14Z)-5,12-dihydroxyicosa-6,8,10,...)
Show SMILES CCCCC\C=C/C[C@@H](O)\C=C\C=C\C=C/[C@@H](O)CCCC(O)=O |r|
Show InChI InChI=1S/C20H32O4/c1-2-3-4-5-6-9-13-18(21)14-10-7-8-11-15-19(22)16-12-17-20(23)24/h6-11,14-15,18-19,21-22H,2-5,12-13,16-17H2,1H3,(H,23,24)/b8-7+,9-6-,14-10+,15-11-/t18-,19-/m1/s1
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0.120n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
LTB4 receptor antagonist activity was determined by inhibition of specific binding of [3H]-LTB4 in guinea pig lung membranes


Bioorg Med Chem Lett 4: 2077-2082 (1994)


Article DOI: 10.1016/S0960-894X(01)80105-0
BindingDB Entry DOI: 10.7270/Q27D2V2X
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Leukotriene B4 receptor 1


(Homo sapiens (Human))
BDBM50013889
PNG
((5S,6Z,8E,10E,12R,14Z)-5,12-dihydroxyicosa-6,8,10,...)
Show SMILES CCCCC\C=C/C[C@@H](O)\C=C\C=C\C=C/[C@@H](O)CCCC(O)=O |r|
Show InChI InChI=1S/C20H32O4/c1-2-3-4-5-6-9-13-18(21)14-10-7-8-11-15-19(22)16-12-17-20(23)24/h6-11,14-15,18-19,21-22H,2-5,12-13,16-17H2,1H3,(H,23,24)/b8-7+,9-6-,14-10+,15-11-/t18-,19-/m1/s1
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0.120n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for inhibition of binding of [3H]LTB4 to LTB4 receptor in guinea-pig lung membranes


Bioorg Med Chem Lett 3: 1981-1984 (1993)


Article DOI: 10.1016/S0960-894X(01)80999-9
BindingDB Entry DOI: 10.7270/Q2VH5P9R
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Leukotriene B4 receptor 1


(Homo sapiens (Human))
BDBM50013889
PNG
((5S,6Z,8E,10E,12R,14Z)-5,12-dihydroxyicosa-6,8,10,...)
Show SMILES CCCCC\C=C/C[C@@H](O)\C=C\C=C\C=C/[C@@H](O)CCCC(O)=O |r|
Show InChI InChI=1S/C20H32O4/c1-2-3-4-5-6-9-13-18(21)14-10-7-8-11-15-19(22)16-12-17-20(23)24/h6-11,14-15,18-19,21-22H,2-5,12-13,16-17H2,1H3,(H,23,24)/b8-7+,9-6-,14-10+,15-11-/t18-,19-/m1/s1
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0.120n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Tested for inhibition of specific binding of [3H]LTB4 to guinea pig lung membranes expressing LTB4 receptor


J Med Chem 36: 3982-4 (1994)


BindingDB Entry DOI: 10.7270/Q2H1313H
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Leukotriene B4 receptor 1


(Homo sapiens (Human))
BDBM50001609
PNG
(8-Benzyloxy-4-[(methyl-phenethyl-carbamoyl)-methyl...)
Show SMILES CN(CCc1ccccc1)C(=O)Cc1cc(cc2c(OCc3ccccc3)cccc12)C(O)=O
Show InChI InChI=1S/C29H27NO4/c1-30(16-15-21-9-4-2-5-10-21)28(31)19-23-17-24(29(32)33)18-26-25(23)13-8-14-27(26)34-20-22-11-6-3-7-12-22/h2-14,17-18H,15-16,19-20H2,1H3,(H,32,33)
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0.140n/an/an/an/an/an/an/an/a



Rhone-Poulenc Rorer Central Research

Curated by ChEMBL


Assay Description
Antagonistic activity of the compound against LTB4 receptor using guinea pig (GP) spleen cell membrane


J Med Chem 35: 4253-5 (1992)


BindingDB Entry DOI: 10.7270/Q208648W
More data for this
Ligand-Target Pair
Leukotriene B4 receptor 1


(Homo sapiens (Human))
BDBM50283054
PNG
(4-{2-(2-Carboxy-ethyl)-3-[3-(5-ethyl-4'-fluoro-2-h...)
Show SMILES CCc1cc(c(O)cc1OCCCOc1cccc(Oc2ccc(cc2)C(O)=O)c1CCC(O)=O)-c1ccc(F)cc1
Show InChI InChI=1S/C33H31FO8/c1-2-21-19-27(22-7-11-24(34)12-8-22)28(35)20-31(21)41-18-4-17-40-29-5-3-6-30(26(29)15-16-32(36)37)42-25-13-9-23(10-14-25)33(38)39/h3,5-14,19-20,35H,2,4,15-18H2,1H3,(H,36,37)(H,38,39)
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0.140n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
LTB4 receptor antagonist activity was determined by inhibition of specific binding of [3H]-LTB4 in human neutrophil


Bioorg Med Chem Lett 4: 2077-2082 (1994)


Article DOI: 10.1016/S0960-894X(01)80105-0
BindingDB Entry DOI: 10.7270/Q27D2V2X
More data for this
Ligand-Target Pair
Leukotriene B4 receptor 1


(Homo sapiens (Human))
BDBM50029464
PNG
(5-(2-Carboxy-ethyl)-6-[3-(5-ethyl-4'-fluoro-2-hydr...)
Show SMILES CCc1cc(c(O)cc1OCCCOc1ccc2c(oc3ccc(cc3c2=O)C(O)=O)c1CCC(O)=O)-c1ccc(F)cc1
Show InChI InChI=1S/C34H29FO9/c1-2-19-16-25(20-4-7-22(35)8-5-20)27(36)18-30(19)43-15-3-14-42-28-12-9-24-32(39)26-17-21(34(40)41)6-11-29(26)44-33(24)23(28)10-13-31(37)38/h4-9,11-12,16-18,36H,2-3,10,13-15H2,1H3,(H,37,38)(H,40,41)
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0.470n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Compound was tested for inhibitory activity against human neutrophil LTB4 receptor binding


J Med Chem 39: 2629-54 (1996)


Article DOI: 10.1021/jm960088k
BindingDB Entry DOI: 10.7270/Q21J9BFT
More data for this
Ligand-Target Pair
Leukotriene B4 receptor 1


(Homo sapiens (Human))
BDBM50029464
PNG
(5-(2-Carboxy-ethyl)-6-[3-(5-ethyl-4'-fluoro-2-hydr...)
Show SMILES CCc1cc(c(O)cc1OCCCOc1ccc2c(oc3ccc(cc3c2=O)C(O)=O)c1CCC(O)=O)-c1ccc(F)cc1
Show InChI InChI=1S/C34H29FO9/c1-2-19-16-25(20-4-7-22(35)8-5-20)27(36)18-30(19)43-15-3-14-42-28-12-9-24-32(39)26-17-21(34(40)41)6-11-29(26)44-33(24)23(28)10-13-31(37)38/h4-9,11-12,16-18,36H,2-3,10,13-15H2,1H3,(H,37,38)(H,40,41)
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0.470n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity at leukotriene B4 receptor on intact human PMNs by displacement of [3H]-LTB4.


J Med Chem 37: 3327-36 (1994)


BindingDB Entry DOI: 10.7270/Q2HT2NC3
More data for this
Ligand-Target Pair
Leukotriene B4 receptor 1


(Homo sapiens (Human))
BDBM50029464
PNG
(5-(2-Carboxy-ethyl)-6-[3-(5-ethyl-4'-fluoro-2-hydr...)
Show SMILES CCc1cc(c(O)cc1OCCCOc1ccc2c(oc3ccc(cc3c2=O)C(O)=O)c1CCC(O)=O)-c1ccc(F)cc1
Show InChI InChI=1S/C34H29FO9/c1-2-19-16-25(20-4-7-22(35)8-5-20)27(36)18-30(19)43-15-3-14-42-28-12-9-24-32(39)26-17-21(34(40)41)6-11-29(26)44-33(24)23(28)10-13-31(37)38/h4-9,11-12,16-18,36H,2-3,10,13-15H2,1H3,(H,37,38)(H,40,41)
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0.470n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
LTB4 receptor antagonist activity was determined by inhibition of specific binding of [3H]-LTB4 in human neutrophil


Bioorg Med Chem Lett 4: 2077-2082 (1994)


Article DOI: 10.1016/S0960-894X(01)80105-0
BindingDB Entry DOI: 10.7270/Q27D2V2X
More data for this
Ligand-Target Pair
Leukotriene B4 receptor 1


(Homo sapiens (Human))
BDBM50029464
PNG
(5-(2-Carboxy-ethyl)-6-[3-(5-ethyl-4'-fluoro-2-hydr...)
Show SMILES CCc1cc(c(O)cc1OCCCOc1ccc2c(oc3ccc(cc3c2=O)C(O)=O)c1CCC(O)=O)-c1ccc(F)cc1
Show InChI InChI=1S/C34H29FO9/c1-2-19-16-25(20-4-7-22(35)8-5-20)27(36)18-30(19)43-15-3-14-42-28-12-9-24-32(39)26-17-21(34(40)41)6-11-29(26)44-33(24)23(28)10-13-31(37)38/h4-9,11-12,16-18,36H,2-3,10,13-15H2,1H3,(H,37,38)(H,40,41)
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0.470n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Tested for inhibition of specific binding of [3H]-LTB4 to human neutrophil expressing LTB4 receptor


J Med Chem 36: 3982-4 (1994)


BindingDB Entry DOI: 10.7270/Q2H1313H
More data for this
Ligand-Target Pair
Leukotriene B4 receptor 1


(Homo sapiens (Human))
BDBM85696
PNG
(LTB4-20-hydroxy)
Show SMILES OCCCCC\C=C/C[C@@H](O)\C=C\C=C\C=C/[C@@H](O)CCCC(O)=O |r|
Show InChI InChI=1S/C20H32O5/c21-17-10-6-2-1-3-7-12-18(22)13-8-4-5-9-14-19(23)15-11-16-20(24)25/h3-5,7-9,13-14,18-19,21-23H,1-2,6,10-12,15-17H2,(H,24,25)/b5-4+,7-3-,13-8+,14-9-/t18-,19-/m1/s1
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0.540n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by PDSP Ki Database




J Biol Chem 275: 40686-94 (2000)


Article DOI: 10.1074/jbc.M004512200
BindingDB Entry DOI: 10.7270/Q2XD1066
More data for this
Ligand-Target Pair
Leukotriene B4 receptor 1


(Homo sapiens (Human))
BDBM50029477
PNG
(5-(2-Carboxy-ethyl)-6-[3-(5-ethyl-2-hydroxy-biphen...)
Show SMILES CCc1cc(c(O)cc1OCCCOc1ccc2c(oc3ccc(cc3c2=O)C(O)=O)c1CCC(O)=O)-c1ccccc1
Show InChI InChI=1S/C34H30O9/c1-2-20-17-25(21-7-4-3-5-8-21)27(35)19-30(20)42-16-6-15-41-28-13-10-24-32(38)26-18-22(34(39)40)9-12-29(26)43-33(24)23(28)11-14-31(36)37/h3-5,7-10,12-13,17-19,35H,2,6,11,14-16H2,1H3,(H,36,37)(H,39,40)
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0.570n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Tested for inhibition of specific binding of [3H]-LTB4 to human neutrophil expressing LTB4 receptor


J Med Chem 36: 3982-4 (1994)


BindingDB Entry DOI: 10.7270/Q2H1313H
More data for this
Ligand-Target Pair
Leukotriene B4 receptor 1


(Homo sapiens (Human))
BDBM50013889
PNG
((5S,6Z,8E,10E,12R,14Z)-5,12-dihydroxyicosa-6,8,10,...)
Show SMILES CCCCC\C=C/C[C@@H](O)\C=C\C=C\C=C/[C@@H](O)CCCC(O)=O |r|
Show InChI InChI=1S/C20H32O4/c1-2-3-4-5-6-9-13-18(21)14-10-7-8-11-15-19(22)16-12-17-20(23)24/h6-11,14-15,18-19,21-22H,2-5,12-13,16-17H2,1H3,(H,23,24)/b8-7+,9-6-,14-10+,15-11-/t18-,19-/m1/s1
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0.700n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by PDSP Ki Database




J Biol Chem 275: 40686-94 (2000)


Article DOI: 10.1074/jbc.M004512200
BindingDB Entry DOI: 10.7270/Q2XD1066
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Leukotriene B4 receptor 1


(Homo sapiens (Human))
BDBM50052027
PNG
((E)-3-[6-(2,6-Dichloro-phenylsulfanylmethyl)-3-phe...)
Show SMILES OC(=O)\C=C\c1nc(CSc2c(Cl)cccc2Cl)ccc1OCCc1ccccc1
Show InChI InChI=1S/C23H19Cl2NO3S/c24-18-7-4-8-19(25)23(18)30-15-17-9-11-21(20(26-17)10-12-22(27)28)29-14-13-16-5-2-1-3-6-16/h1-12H,13-15H2,(H,27,28)/b12-10+
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0.780n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of [3H]-LTB4 binding to human neutrophils


J Med Chem 39: 3837-41 (1996)


Article DOI: 10.1021/jm960248s
BindingDB Entry DOI: 10.7270/Q2VX0FKP
More data for this
Ligand-Target Pair
Leukotriene B4 receptor 1


(Homo sapiens (Human))
BDBM50052027
PNG
((E)-3-[6-(2,6-Dichloro-phenylsulfanylmethyl)-3-phe...)
Show SMILES OC(=O)\C=C\c1nc(CSc2c(Cl)cccc2Cl)ccc1OCCc1ccccc1
Show InChI InChI=1S/C23H19Cl2NO3S/c24-18-7-4-8-19(25)23(18)30-15-17-9-11-21(20(26-17)10-12-22(27)28)29-14-13-16-5-2-1-3-6-16/h1-12H,13-15H2,(H,27,28)/b12-10+
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0.800n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Compound was tested for binding affinity against human neutrophil LTB4 (leukotriene) receptor


J Med Chem 39: 2629-54 (1996)


Article DOI: 10.1021/jm960088k
BindingDB Entry DOI: 10.7270/Q21J9BFT
More data for this
Ligand-Target Pair
Leukotriene B4 receptor 1


(Homo sapiens (Human))
BDBM50037391
PNG
(5-{2-(2-Carboxy-ethyl)-3-[6-(4-oxo-8-propyl-chroma...)
Show SMILES CCCc1c(OCCCCCCc2cccc(OCCCCC(O)=O)c2CCC(O)=O)ccc2C(=O)CCOc12
Show InChI InChI=1S/C32H42O8/c1-2-10-26-29(17-15-25-27(33)19-22-40-32(25)26)39-20-7-4-3-5-11-23-12-9-13-28(24(23)16-18-31(36)37)38-21-8-6-14-30(34)35/h9,12-13,15,17H,2-8,10-11,14,16,18-22H2,1H3,(H,34,35)(H,36,37)
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1n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity at leukotriene B4 receptor on intact human PMNs by displacement of [3H]-LTB4.


J Med Chem 37: 3327-36 (1994)


BindingDB Entry DOI: 10.7270/Q2HT2NC3
More data for this
Ligand-Target Pair
Leukotriene B4 receptor 1


(Homo sapiens (Human))
BDBM50042149
PNG
(CHEMBL112520 | Lithium; 3-{1-hydroxy-2-[6-(3-hydro...)
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)/p-1/b16-15+
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1n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of [3H]- LTB4 binding on human whole cells


J Med Chem 36: 3308-20 (1993)


BindingDB Entry DOI: 10.7270/Q21R6R4P
More data for this
Ligand-Target Pair
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))
BDBM50052025
PNG
(6-{2-(2-Carboxy-ethyl)-3-[6-(4-oxo-8-propyl-chroma...)
Show SMILES CCCc1c(OCCCCCCc2cccc(OCCCCCC(O)=O)c2CCC(O)=O)ccc2C(=O)CCOc12
Show InChI InChI=1S/C33H44O8/c1-2-11-27-30(18-16-26-28(34)20-23-41-33(26)27)40-21-8-4-3-6-12-24-13-10-14-29(25(24)17-19-32(37)38)39-22-9-5-7-15-31(35)36/h10,13-14,16,18H,2-9,11-12,15,17,19-23H2,1H3,(H,35,36)(H,37,38)
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1n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Compound was tested for inhibitory activity against human neutrophil LTB4 receptor binding


J Med Chem 39: 2629-54 (1996)


Article DOI: 10.1021/jm960088k
BindingDB Entry DOI: 10.7270/Q21J9BFT
More data for this
Ligand-Target Pair
Leukotriene B4 receptor 1


(Homo sapiens (Human))
BDBM50283054
PNG
(4-{2-(2-Carboxy-ethyl)-3-[3-(5-ethyl-4'-fluoro-2-h...)
Show SMILES CCc1cc(c(O)cc1OCCCOc1cccc(Oc2ccc(cc2)C(O)=O)c1CCC(O)=O)-c1ccc(F)cc1
Show InChI InChI=1S/C33H31FO8/c1-2-21-19-27(22-7-11-24(34)12-8-22)28(35)20-31(21)41-18-4-17-40-29-5-3-6-30(26(29)15-16-32(36)37)42-25-13-9-23(10-14-25)33(38)39/h3,5-14,19-20,35H,2,4,15-18H2,1H3,(H,36,37)(H,38,39)
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1.10n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
LTB4 receptor antagonist activity was determined by inhibition of specific binding of [3H]-LTB4 in human neutrophil


Bioorg Med Chem Lett 4: 2077-2082 (1994)


Article DOI: 10.1016/S0960-894X(01)80105-0
BindingDB Entry DOI: 10.7270/Q27D2V2X
More data for this
Ligand-Target Pair
Leukotriene B4 receptor 1


(Homo sapiens (Human))
BDBM50280884
PNG
(3-{3-[3-(4-acetyl-2-ethyl-5-olatophenoxy)propoxy]-...)
Show SMILES CCc1cc(C(C)=O)c([O-])cc1OCCCOc1ccc2c(oc3ccc(cc3c2=O)C([O-])=O)c1CCC([O-])=O
Show InChI InChI=1S/C30H28O10/c1-3-17-13-21(16(2)31)23(32)15-26(17)39-12-4-11-38-24-9-6-20-28(35)22-14-18(30(36)37)5-8-25(22)40-29(20)19(24)7-10-27(33)34/h5-6,8-9,13-15,32H,3-4,7,10-12H2,1-2H3,(H,33,34)(H,36,37)/p-3
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1.20n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for inhibition of binding of [3H]LTB4 to LTB4 receptor in guinea-pig lung membranes


Bioorg Med Chem Lett 3: 1981-1984 (1993)


Article DOI: 10.1016/S0960-894X(01)80999-9
BindingDB Entry DOI: 10.7270/Q2VH5P9R
More data for this
Ligand-Target Pair
Leukotriene B4 receptor 1


(Homo sapiens (Human))
BDBM50029482
PNG
(6-[3-(4-Acetyl-2-ethyl-5-hydroxy-phenoxy)-propoxy]...)
Show SMILES CCc1cc(C(C)=O)c(O)cc1OCCCOc1ccc2c(oc3ccc(cc3c2=O)C(O)=O)c1CCC(O)=O
Show InChI InChI=1S/C30H28O10/c1-3-17-13-21(16(2)31)23(32)15-26(17)39-12-4-11-38-24-9-6-20-28(35)22-14-18(30(36)37)5-8-25(22)40-29(20)19(24)7-10-27(33)34/h5-6,8-9,13-15,32H,3-4,7,10-12H2,1-2H3,(H,33,34)(H,36,37)
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1.20n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Tested for inhibition of specific binding of [3H]-LTB4 to guinea pig lung membranes expressing LTB4 receptor


J Med Chem 36: 3982-4 (1994)


BindingDB Entry DOI: 10.7270/Q2H1313H
More data for this
Ligand-Target Pair
Leukotriene B4 receptor 1


(Homo sapiens (Human))
BDBM50053354
PNG
((E)-3-{6-(2,6-Dichloro-phenylsulfanylmethyl)-3-[2-...)
Show SMILES COc1ccc(CCOc2ccc(CSc3c(Cl)cccc3Cl)nc2\C=C\C(O)=O)cc1
Show InChI InChI=1S/C24H21Cl2NO4S/c1-30-18-8-5-16(6-9-18)13-14-31-22-11-7-17(27-21(22)10-12-23(28)29)15-32-24-19(25)3-2-4-20(24)26/h2-12H,13-15H2,1H3,(H,28,29)/b12-10+
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1.20n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of [3H]-LTB4 binding to human neutrophils


J Med Chem 39: 3837-41 (1996)


Article DOI: 10.1021/jm960248s
BindingDB Entry DOI: 10.7270/Q2VX0FKP
More data for this
Ligand-Target Pair
Leukotriene B4 receptor 1


(Homo sapiens (Human))
BDBM50029482
PNG
(6-[3-(4-Acetyl-2-ethyl-5-hydroxy-phenoxy)-propoxy]...)
Show SMILES CCc1cc(C(C)=O)c(O)cc1OCCCOc1ccc2c(oc3ccc(cc3c2=O)C(O)=O)c1CCC(O)=O
Show InChI InChI=1S/C30H28O10/c1-3-17-13-21(16(2)31)23(32)15-26(17)39-12-4-11-38-24-9-6-20-28(35)22-14-18(30(36)37)5-8-25(22)40-29(20)19(24)7-10-27(33)34/h5-6,8-9,13-15,32H,3-4,7,10-12H2,1-2H3,(H,33,34)(H,36,37)
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1.20n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Tested for inhibition of specific binding of [3H]-LTB4 to guinea pig lung membranes expressing LTB4 receptor


J Med Chem 36: 3982-4 (1994)


BindingDB Entry DOI: 10.7270/Q2H1313H
More data for this
Ligand-Target Pair
Leukotriene B4 receptor 1


(Homo sapiens (Human))
BDBM50053350
PNG
((E)-3-[3-[2-(4-Chloro-phenyl)-ethoxy]-6-(2,6-dichl...)
Show SMILES OC(=O)\C=C\c1nc(CSc2c(Cl)cccc2Cl)ccc1OCCc1ccc(Cl)cc1
Show InChI InChI=1S/C23H18Cl3NO3S/c24-16-6-4-15(5-7-16)12-13-30-21-10-8-17(27-20(21)9-11-22(28)29)14-31-23-18(25)2-1-3-19(23)26/h1-11H,12-14H2,(H,28,29)/b11-9+
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1.30n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of [3H]-LTB4 binding to human neutrophils


J Med Chem 39: 3837-41 (1996)


Article DOI: 10.1021/jm960248s
BindingDB Entry DOI: 10.7270/Q2VX0FKP
More data for this
Ligand-Target Pair
Leukotriene B4 receptor 1


(Homo sapiens (Human))
BDBM50037390
PNG
(3-{(S)-2-(2-Carboxy-ethyl)-7-[3-(2-cyclopropylmeth...)
Show SMILES CCCc1c(OCCCOc2ccc(C(=O)NC)c(OC)c2CC2CC2)ccc2CC[C@@H](CCC(O)=O)Oc12
Show InChI InChI=1S/C31H41NO7/c1-4-6-23-26(14-10-21-9-11-22(39-29(21)23)12-16-28(33)34)37-17-5-18-38-27-15-13-24(31(35)32-2)30(36-3)25(27)19-20-7-8-20/h10,13-15,20,22H,4-9,11-12,16-19H2,1-3H3,(H,32,35)(H,33,34)/t22-/m0/s1
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1.30n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity at leukotriene B4 receptor on intact human PMNs by displacement of [3H]-LTB4.


J Med Chem 37: 3327-36 (1994)


BindingDB Entry DOI: 10.7270/Q2HT2NC3
More data for this
Ligand-Target Pair
Leukotriene B4 receptor 1


(Homo sapiens (Human))
BDBM50053353
PNG
((E)-3-[6-(2,6-Dichloro-phenylsulfanylmethyl)-3-(3-...)
Show SMILES OC(=O)\C=C\c1nc(CSc2c(Cl)cccc2Cl)ccc1OCCCc1ccccc1
Show InChI InChI=1S/C24H21Cl2NO3S/c25-19-9-4-10-20(26)24(19)31-16-18-11-13-22(21(27-18)12-14-23(28)29)30-15-5-8-17-6-2-1-3-7-17/h1-4,6-7,9-14H,5,8,15-16H2,(H,28,29)/b14-12+
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1.40n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of [3H]-LTB4 binding to human neutrophils


J Med Chem 39: 3837-41 (1996)


Article DOI: 10.1021/jm960248s
BindingDB Entry DOI: 10.7270/Q2VX0FKP
More data for this
Ligand-Target Pair
Leukotriene B4 receptor 1


(Homo sapiens (Human))
BDBM50053351
PNG
((E)-3-{6-(2,6-Dichloro-phenylsulfanylmethyl)-3-[4-...)
Show SMILES COc1ccc(CCCCOc2ccc(CSc3c(Cl)cccc3Cl)nc2\C=C\C(O)=O)cc1
Show InChI InChI=1S/C26H25Cl2NO4S/c1-32-20-11-8-18(9-12-20)5-2-3-16-33-24-14-10-19(29-23(24)13-15-25(30)31)17-34-26-21(27)6-4-7-22(26)28/h4,6-15H,2-3,5,16-17H2,1H3,(H,30,31)/b15-13+
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1.5n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of [3H]-LTB4 binding to human neutrophils


J Med Chem 39: 3837-41 (1996)


Article DOI: 10.1021/jm960248s
BindingDB Entry DOI: 10.7270/Q2VX0FKP
More data for this
Ligand-Target Pair
Leukotriene B4 receptor 1


(Homo sapiens (Human))
BDBM50053355
PNG
((E)-3-{6-(2,6-Dichloro-phenylsulfanylmethyl)-3-[2-...)
Show SMILES OC(=O)\C=C\c1nc(CSc2c(Cl)cccc2Cl)ccc1OCCc1ccc(F)cc1
Show InChI InChI=1S/C23H18Cl2FNO3S/c24-18-2-1-3-19(25)23(18)31-14-17-8-10-21(20(27-17)9-11-22(28)29)30-13-12-15-4-6-16(26)7-5-15/h1-11H,12-14H2,(H,28,29)/b11-9+
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1.5n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of [3H]-LTB4 binding to human neutrophils


J Med Chem 39: 3837-41 (1996)


Article DOI: 10.1021/jm960248s
BindingDB Entry DOI: 10.7270/Q2VX0FKP
More data for this
Ligand-Target Pair
Leukotriene B4 receptor 1


(Homo sapiens (Human))
BDBM50280292
PNG
(7-[3-(2-Ethyl-5-hydroxy-4-methoxy-phenoxy)-propoxy...)
Show SMILES CCCc1c(OCCCOc2cc(O)c(OC)cc2CC)ccc2CCC(Oc12)C(O)=O
Show InChI InChI=1S/C25H32O7/c1-4-7-18-20(10-8-17-9-11-21(25(27)28)32-24(17)18)30-12-6-13-31-22-15-19(26)23(29-3)14-16(22)5-2/h8,10,14-15,21,26H,4-7,9,11-13H2,1-3H3,(H,27,28)
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1.90n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro binding affinity using [3H]-LTB4 radioligand binding to leukotriene B4 receptor in guinea pig lung membrane binding assay


Bioorg Med Chem Lett 2: 1675-1680 (1992)


Article DOI: 10.1016/S0960-894X(00)80454-0
BindingDB Entry DOI: 10.7270/Q2JW8DT9
More data for this
Ligand-Target Pair
Leukotriene B4 receptor 1


(Homo sapiens (Human))
BDBM50013889
PNG
((5S,6Z,8E,10E,12R,14Z)-5,12-dihydroxyicosa-6,8,10,...)
Show SMILES CCCCC\C=C/C[C@@H](O)\C=C\C=C\C=C/[C@@H](O)CCCC(O)=O |r|
Show InChI InChI=1S/C20H32O4/c1-2-3-4-5-6-9-13-18(21)14-10-7-8-11-15-19(22)16-12-17-20(23)24/h6-11,14-15,18-19,21-22H,2-5,12-13,16-17H2,1H3,(H,23,24)/b8-7+,9-6-,14-10+,15-11-/t18-,19-/m1/s1
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1.90n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
LTB4 receptor antagonist activity was determined by inhibition of specific binding of [3H]-LTB4 in guinea pig lung membranes


Bioorg Med Chem Lett 4: 2077-2082 (1994)


Article DOI: 10.1016/S0960-894X(01)80105-0
BindingDB Entry DOI: 10.7270/Q27D2V2X
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Leukotriene B4 receptor 1


(Homo sapiens (Human))
BDBM50013889
PNG
((5S,6Z,8E,10E,12R,14Z)-5,12-dihydroxyicosa-6,8,10,...)
Show SMILES CCCCC\C=C/C[C@@H](O)\C=C\C=C\C=C/[C@@H](O)CCCC(O)=O |r|
Show InChI InChI=1S/C20H32O4/c1-2-3-4-5-6-9-13-18(21)14-10-7-8-11-15-19(22)16-12-17-20(23)24/h6-11,14-15,18-19,21-22H,2-5,12-13,16-17H2,1H3,(H,23,24)/b8-7+,9-6-,14-10+,15-11-/t18-,19-/m1/s1
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1.90n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Tested for inhibition of specific binding of [3H]-LTB4 to human neutrophil expressing LTB4 receptor


J Med Chem 36: 3982-4 (1994)


BindingDB Entry DOI: 10.7270/Q2H1313H
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Leukotriene B4 receptor 1


(Homo sapiens (Human))
BDBM50001609
PNG
(8-Benzyloxy-4-[(methyl-phenethyl-carbamoyl)-methyl...)
Show SMILES CN(CCc1ccccc1)C(=O)Cc1cc(cc2c(OCc3ccccc3)cccc12)C(O)=O
Show InChI InChI=1S/C29H27NO4/c1-30(16-15-21-9-4-2-5-10-21)28(31)19-23-17-24(29(32)33)18-26-25(23)13-8-14-27(26)34-20-22-11-6-3-7-12-22/h2-14,17-18H,15-16,19-20H2,1H3,(H,32,33)
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2n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity at leukotriene B4 receptor on intact human PMNs by displacement of [3H]-LTB4.


J Med Chem 37: 3327-36 (1994)


BindingDB Entry DOI: 10.7270/Q2HT2NC3
More data for this
Ligand-Target Pair
Leukotriene B4 receptor 1


(Homo sapiens (Human))
BDBM50001609
PNG
(8-Benzyloxy-4-[(methyl-phenethyl-carbamoyl)-methyl...)
Show SMILES CN(CCc1ccccc1)C(=O)Cc1cc(cc2c(OCc3ccccc3)cccc12)C(O)=O
Show InChI InChI=1S/C29H27NO4/c1-30(16-15-21-9-4-2-5-10-21)28(31)19-23-17-24(29(32)33)18-26-25(23)13-8-14-27(26)34-20-22-11-6-3-7-12-22/h2-14,17-18H,15-16,19-20H2,1H3,(H,32,33)
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2n/an/an/an/an/an/an/an/a



Rhone-Poulenc Rorer Central Research

Curated by ChEMBL


Assay Description
Antagonistic activity of the compound against monkey neutrophil LTB4 receptor 2 min after an iv dose of 3 mg/kg .


J Med Chem 35: 4253-5 (1992)


BindingDB Entry DOI: 10.7270/Q208648W
More data for this
Ligand-Target Pair
Leukotriene B4 receptor 1


(Homo sapiens (Human))
BDBM50001609
PNG
(8-Benzyloxy-4-[(methyl-phenethyl-carbamoyl)-methyl...)
Show SMILES CN(CCc1ccccc1)C(=O)Cc1cc(cc2c(OCc3ccccc3)cccc12)C(O)=O
Show InChI InChI=1S/C29H27NO4/c1-30(16-15-21-9-4-2-5-10-21)28(31)19-23-17-24(29(32)33)18-26-25(23)13-8-14-27(26)34-20-22-11-6-3-7-12-22/h2-14,17-18H,15-16,19-20H2,1H3,(H,32,33)
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2n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity against LTB4 receptors in human PMNs using [3H]-LTB4 as radioligand


J Med Chem 36: 2703-5 (1993)


BindingDB Entry DOI: 10.7270/Q2HQ3XZC
More data for this
Ligand-Target Pair
Leukotriene B4 receptor 1


(Homo sapiens (Human))
BDBM50053356
PNG
((E)-3-{3-[4-(4-Methoxy-phenyl)-butoxy]-6-phenylsul...)
Show SMILES COc1ccc(CCCCOc2ccc(CSc3ccccc3)nc2\C=C\C(O)=O)cc1
Show InChI InChI=1S/C26H27NO4S/c1-30-22-13-10-20(11-14-22)7-5-6-18-31-25-16-12-21(27-24(25)15-17-26(28)29)19-32-23-8-3-2-4-9-23/h2-4,8-17H,5-7,18-19H2,1H3,(H,28,29)/b17-15+
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2.80n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of [3H]-LTB4 binding to human neutrophils


J Med Chem 39: 3837-41 (1996)


Article DOI: 10.1021/jm960248s
BindingDB Entry DOI: 10.7270/Q2VX0FKP
More data for this
Ligand-Target Pair
Leukotriene B4 receptor 1


(Homo sapiens (Human))
BDBM50013889
PNG
((5S,6Z,8E,10E,12R,14Z)-5,12-dihydroxyicosa-6,8,10,...)
Show SMILES CCCCC\C=C/C[C@@H](O)\C=C\C=C\C=C/[C@@H](O)CCCC(O)=O |r|
Show InChI InChI=1S/C20H32O4/c1-2-3-4-5-6-9-13-18(21)14-10-7-8-11-15-19(22)16-12-17-20(23)24/h6-11,14-15,18-19,21-22H,2-5,12-13,16-17H2,1H3,(H,23,24)/b8-7+,9-6-,14-10+,15-11-/t18-,19-/m1/s1
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2.90n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]LTB4 from LTB4R


J Nat Prod 56: 441-455 (1993)


Article DOI: 10.1021/np50094a001
BindingDB Entry DOI: 10.7270/Q2VT1S4B
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Leukotriene B4 receptor 1


(Homo sapiens (Human))
BDBM50042153
PNG
(CHEMBL113288 | Lithium; 3-(2-{7-[3-(3-butoxy-pheny...)
Show SMILES CCCCOc1cccc(c1)C(O)\C=C\c1cccc(CC(O)c2cccc(c2)C([O-])=O)n1
Show InChI InChI=1S/C27H29NO5/c1-2-3-15-33-24-12-5-8-20(17-24)25(29)14-13-22-10-6-11-23(28-22)18-26(30)19-7-4-9-21(16-19)27(31)32/h4-14,16-17,25-26,29-30H,2-3,15,18H2,1H3,(H,31,32)/p-1/b14-13+
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3n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of [3H]- LTB4 binding on human whole cells


J Med Chem 36: 3308-20 (1993)


BindingDB Entry DOI: 10.7270/Q21R6R4P
More data for this
Ligand-Target Pair
Leukotriene B4 receptor 1


(Homo sapiens (Human))
BDBM50213057
PNG
(CHEMBL167520)
Show SMILES CCc1cc(c(O)cc1OCCCCCC(C)(C)c1nn[nH]n1)-c1ccc(F)cc1
Show InChI InChI=1S/C23H29FN4O2/c1-4-16-14-19(17-8-10-18(24)11-9-17)20(29)15-21(16)30-13-7-5-6-12-23(2,3)22-25-27-28-26-22/h8-11,14-15,29H,4-7,12-13H2,1-3H3,(H,25,26,27,28)
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3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Negative logarithm of affinity for leukotriene B4 (LTB4) receptor on guinea pig lung membranes


Citation and Details

BindingDB Entry DOI: 10.7270/Q2FT8P6X
More data for this
Ligand-Target Pair
Leukotriene B4 receptor 1


(Homo sapiens (Human))
BDBM50088244
PNG
(7-[3-(2-Cyclopropylmethyl-3-methoxymethyl-4-thiazo...)
Show SMILES CCCc1c(OCCCOc2ccc(-c3cscn3)c(COC)c2CC2CC2)ccc2CC[C@@H](Oc12)C(O)=O
Show InChI InChI=1S/C31H37NO6S/c1-3-5-23-27(11-8-21-9-12-29(31(33)34)38-30(21)23)36-14-4-15-37-28-13-10-22(26-18-39-19-32-26)25(17-35-2)24(28)16-20-6-7-20/h8,10-11,13,18-20,29H,3-7,9,12,14-17H2,1-2H3,(H,33,34)/t29-/m1/s1
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3.20n/an/an/an/an/an/an/an/a



NeoGenesis, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to leukotriene B4 receptor


J Med Chem 43: 1993-2006 (2000)


BindingDB Entry DOI: 10.7270/Q2MP53ZS
More data for this
Ligand-Target Pair
Leukotriene B4 receptor 1


(Homo sapiens (Human))
BDBM50280291
PNG
(7-[3-(4-Ethoxy-2-ethyl-5-hydroxy-phenoxy)-propoxy]...)
Show SMILES CCCc1c(OCCCOc2cc(O)c(OCC)cc2CC)ccc2CCC(Oc12)C(O)=O
Show InChI InChI=1S/C26H34O7/c1-4-8-19-21(11-9-18-10-12-22(26(28)29)33-25(18)19)31-13-7-14-32-23-16-20(27)24(30-6-3)15-17(23)5-2/h9,11,15-16,22,27H,4-8,10,12-14H2,1-3H3,(H,28,29)
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3.5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro binding affinity using [3H]-LTB4 radioligand binding to leukotriene B4 receptor in guinea pig lung membrane binding assay


Bioorg Med Chem Lett 2: 1675-1680 (1992)


Article DOI: 10.1016/S0960-894X(00)80454-0
BindingDB Entry DOI: 10.7270/Q2JW8DT9
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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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))
BDBM50213056
PNG
(CHEMBL435273)
Show SMILES CCc1cc(c(O)cc1OCCCCCC(C)(C)c1nn[nH]n1)-c1ccccc1
Show InChI InChI=1S/C23H30N4O2/c1-4-17-15-19(18-11-7-5-8-12-18)20(28)16-21(17)29-14-10-6-9-13-23(2,3)22-24-26-27-25-22/h5,7-8,11-12,15-16,28H,4,6,9-10,13-14H2,1-3H3,(H,24,25,26,27)
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3.5n/an/an/an/an/an/an/an/a


TBA

Assay Description
Negative logarithm of affinity for leukotriene B4 (LTB4) receptor on guinea pig lung membranes


Citation and Details

BindingDB Entry DOI: 10.7270/Q2FT8P6X
More data for this
Ligand-Target Pair
Leukotriene B4 receptor 1


(Homo sapiens (Human))
BDBM50037382
PNG
(5-{2-(2-Carboxy-ethyl)-3-[(E)-6-(4-methoxy-phenyl)...)
Show SMILES COc1ccc(\C=C\CCCCOc2cccc(OCCCCC(O)=O)c2CCC(O)=O)cc1
Show InChI InChI=1S/C27H34O7/c1-32-22-15-13-21(14-16-22)9-4-2-3-6-19-33-24-10-8-11-25(23(24)17-18-27(30)31)34-20-7-5-12-26(28)29/h4,8-11,13-16H,2-3,5-7,12,17-20H2,1H3,(H,28,29)(H,30,31)/b9-4+
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3.70n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Compound was tested for inhibitory activity against human neutrophil LTB4 receptor binding


J Med Chem 39: 2629-54 (1996)


Article DOI: 10.1021/jm960088k
BindingDB Entry DOI: 10.7270/Q21J9BFT
More data for this
Ligand-Target Pair
Leukotriene B4 receptor 1


(Homo sapiens (Human))
BDBM85702
PNG
(CAS_5283125 | LTB5 | NSC_5283125)
Show SMILES CCC=CCC=CCC(O)C=CC=CC=CC(O)CCCC(O)=O |w:2.1,5.4,10.9,12.11,14.13|
Show InChI InChI=1S/C20H30O4/c1-2-3-4-5-6-9-13-18(21)14-10-7-8-11-15-19(22)16-12-17-20(23)24/h3-4,6-11,14-15,18-19,21-22H,2,5,12-13,16-17H2,1H3,(H,23,24)
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3.70n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by PDSP Ki Database




J Biol Chem 275: 40686-94 (2000)


Article DOI: 10.1074/jbc.M004512200
BindingDB Entry DOI: 10.7270/Q2XD1066
More data for this
Ligand-Target Pair
Leukotriene B4 receptor 1


(Homo sapiens (Human))
BDBM50037382
PNG
(5-{2-(2-Carboxy-ethyl)-3-[(E)-6-(4-methoxy-phenyl)...)
Show SMILES COc1ccc(\C=C\CCCCOc2cccc(OCCCCC(O)=O)c2CCC(O)=O)cc1
Show InChI InChI=1S/C27H34O7/c1-32-22-15-13-21(14-16-22)9-4-2-3-6-19-33-24-10-8-11-25(23(24)17-18-27(30)31)34-20-7-5-12-26(28)29/h4,8-11,13-16H,2-3,5-7,12,17-20H2,1H3,(H,28,29)(H,30,31)/b9-4+
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4n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity against LTB4 receptors in human PMNs using [3H]-LTB4 as radioligand


J Med Chem 36: 2703-5 (1993)


BindingDB Entry DOI: 10.7270/Q2HQ3XZC
More data for this
Ligand-Target Pair
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