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Compile Data Set for Download or QSAR

Found 17 hits Enz. Inhib. hit(s) with all data for entry = 50005965   
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


(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)


Article DOI: 10.1021/jm00076a030
BindingDB Entry DOI: 10.7270/Q2H1313H
More data for this
Ligand-Target Pair
LTB4R


(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)


Article DOI: 10.1021/jm00076a030
BindingDB Entry DOI: 10.7270/Q2H1313H
More data for this
Ligand-Target Pair
Leukotriene B4 receptor


(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
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)


Article DOI: 10.1021/jm00076a030
BindingDB Entry DOI: 10.7270/Q2H1313H
More data for this
Ligand-Target Pair
LTB4R


(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)


Article DOI: 10.1021/jm00076a030
BindingDB Entry DOI: 10.7270/Q2H1313H
More data for this
Ligand-Target Pair
Leukotriene B4 receptor


(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)


Article DOI: 10.1021/jm00076a030
BindingDB Entry DOI: 10.7270/Q2H1313H
More data for this
Ligand-Target Pair
Leukotriene B4 receptor


(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)


Article DOI: 10.1021/jm00076a030
BindingDB Entry DOI: 10.7270/Q2H1313H
More data for this
Ligand-Target Pair
LTB4R


(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
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)


Article DOI: 10.1021/jm00076a030
BindingDB Entry DOI: 10.7270/Q2H1313H
More data for this
Ligand-Target Pair
LTB4R


(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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4n/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)


Article DOI: 10.1021/jm00076a030
BindingDB Entry DOI: 10.7270/Q2H1313H
More data for this
Ligand-Target Pair
LTB4R


(HUMAN)
BDBM50029460
PNG
(3-{3-[3-(5-Ethyl-4'-fluoro-2-hydroxy-biphenyl-4-yl...)
Show SMILES CCc1cc(c(O)cc1OCCCOc1ccc2c(oc3ccccc3c2=O)c1CCC(O)=O)-c1ccc(F)cc1
Show InChI InChI=1S/C33H29FO7/c1-2-20-18-26(21-8-10-22(34)11-9-21)27(35)19-30(20)40-17-5-16-39-28-14-12-25-32(38)23-6-3-4-7-29(23)41-33(25)24(28)13-15-31(36)37/h3-4,6-12,14,18-19,35H,2,5,13,15-17H2,1H3,(H,36,37)
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4n/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)


Article DOI: 10.1021/jm00076a030
BindingDB Entry DOI: 10.7270/Q2H1313H
More data for this
Ligand-Target Pair
LTB4R


(HUMAN)
BDBM50029448
PNG
(3-{3-[3-(5-Ethyl-2-hydroxy-biphenyl-4-yloxy)-propo...)
Show SMILES CCc1cc(c(O)cc1OCCCOc1ccc2c(oc3ccccc3c2=O)c1CCC(O)=O)-c1ccccc1
Show InChI InChI=1S/C33H30O7/c1-2-21-19-26(22-9-4-3-5-10-22)27(34)20-30(21)39-18-8-17-38-28-15-13-25-32(37)23-11-6-7-12-29(23)40-33(25)24(28)14-16-31(35)36/h3-7,9-13,15,19-20,34H,2,8,14,16-18H2,1H3,(H,35,36)
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12n/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)


Article DOI: 10.1021/jm00076a030
BindingDB Entry DOI: 10.7270/Q2H1313H
More data for this
Ligand-Target Pair
Leukotriene B4 receptor


(HUMAN)
BDBM50029448
PNG
(3-{3-[3-(5-Ethyl-2-hydroxy-biphenyl-4-yloxy)-propo...)
Show SMILES CCc1cc(c(O)cc1OCCCOc1ccc2c(oc3ccccc3c2=O)c1CCC(O)=O)-c1ccccc1
Show InChI InChI=1S/C33H30O7/c1-2-21-19-26(22-9-4-3-5-10-22)27(34)20-30(21)39-18-8-17-38-28-15-13-25-32(37)23-11-6-7-12-29(23)40-33(25)24(28)14-16-31(35)36/h3-7,9-13,15,19-20,34H,2,8,14,16-18H2,1H3,(H,35,36)
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22n/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)


Article DOI: 10.1021/jm00076a030
BindingDB Entry DOI: 10.7270/Q2H1313H
More data for this
Ligand-Target Pair
Leukotriene B4 receptor


(HUMAN)
BDBM50029460
PNG
(3-{3-[3-(5-Ethyl-4'-fluoro-2-hydroxy-biphenyl-4-yl...)
Show SMILES CCc1cc(c(O)cc1OCCCOc1ccc2c(oc3ccccc3c2=O)c1CCC(O)=O)-c1ccc(F)cc1
Show InChI InChI=1S/C33H29FO7/c1-2-20-18-26(21-8-10-22(34)11-9-21)27(35)19-30(20)40-17-5-16-39-28-14-12-25-32(38)23-6-3-4-7-29(23)41-33(25)24(28)13-15-31(36)37/h3-4,6-12,14,18-19,35H,2,5,13,15-17H2,1H3,(H,36,37)
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36n/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)


Article DOI: 10.1021/jm00076a030
BindingDB Entry DOI: 10.7270/Q2H1313H
More data for this
Ligand-Target Pair
Leukotriene B4 receptor


(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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n/an/a 1.20n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of LTB4-induced up-regulation of human neutrophil CD11b/CD18 integrin


J Med Chem 36: 3982-4 (1994)


Article DOI: 10.1021/jm00076a030
BindingDB Entry DOI: 10.7270/Q2H1313H
More data for this
Ligand-Target Pair
Leukotriene B4 receptor


(HUMAN)
BDBM50029460
PNG
(3-{3-[3-(5-Ethyl-4'-fluoro-2-hydroxy-biphenyl-4-yl...)
Show SMILES CCc1cc(c(O)cc1OCCCOc1ccc2c(oc3ccccc3c2=O)c1CCC(O)=O)-c1ccc(F)cc1
Show InChI InChI=1S/C33H29FO7/c1-2-20-18-26(21-8-10-22(34)11-9-21)27(35)19-30(20)40-17-5-16-39-28-14-12-25-32(38)23-6-3-4-7-29(23)41-33(25)24(28)13-15-31(36)37/h3-4,6-12,14,18-19,35H,2,5,13,15-17H2,1H3,(H,36,37)
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n/an/a 1.80n/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)


Article DOI: 10.1021/jm00076a030
BindingDB Entry DOI: 10.7270/Q2H1313H
More data for this
Ligand-Target Pair
Leukotriene B4 receptor


(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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n/an/a 3.40n/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)


Article DOI: 10.1021/jm00076a030
BindingDB Entry DOI: 10.7270/Q2H1313H
More data for this
Ligand-Target Pair
Leukotriene B4 receptor


(HUMAN)
BDBM50029448
PNG
(3-{3-[3-(5-Ethyl-2-hydroxy-biphenyl-4-yloxy)-propo...)
Show SMILES CCc1cc(c(O)cc1OCCCOc1ccc2c(oc3ccccc3c2=O)c1CCC(O)=O)-c1ccccc1
Show InChI InChI=1S/C33H30O7/c1-2-21-19-26(22-9-4-3-5-10-22)27(34)20-30(21)39-18-8-17-38-28-15-13-25-32(37)23-11-6-7-12-29(23)40-33(25)24(28)14-16-31(35)36/h3-7,9-13,15,19-20,34H,2,8,14,16-18H2,1H3,(H,35,36)
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n/an/a 5.40n/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)


Article DOI: 10.1021/jm00076a030
BindingDB Entry DOI: 10.7270/Q2H1313H
More data for this
Ligand-Target Pair
Leukotriene B4 receptor


(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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n/an/a 47n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of LTB4-induced up-regulation of human neutrophil CD11b/CD18 integrin


J Med Chem 36: 3982-4 (1994)


Article DOI: 10.1021/jm00076a030
BindingDB Entry DOI: 10.7270/Q2H1313H
More data for this
Ligand-Target Pair