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Compile Data Set for Download or QSAR

Found 17 hits with Last Name = 'sutherland' and Initial = 'ca'   
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))
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))
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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n/an/a 0.360n/an/an/an/an/an/a



Rhone-Poulenc Rorer Central Research

Curated by ChEMBL


Assay Description
Affinity of the compound for human PMN LTB-4 receptors.


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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n/an/a 0.800n/an/an/an/an/an/a



Rhone-Poulenc Rorer Central Research

Curated by ChEMBL


Assay Description
Concentration of the compound inhibiting 1 nM LTB4-induced aggregation in GP polymorphonuclear (PMN) leukocytes.


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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n/an/a 4.70n/an/an/an/an/an/a



Rhone-Poulenc Rorer Central Research

Curated by ChEMBL


Assay Description
Concentration of the compound inhibiting the binding of [3H]-LTB4 to human whole cell neutrophils


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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n/an/a 4.70n/an/an/an/an/an/a



Rhone-Poulenc Rorer Central Research

Curated by ChEMBL


Assay Description
Compound tested for binding affinity against Leukotriene B4 receptor using radioligand binding assay from Human PMN cells


J Med Chem 39: 3748-55 (1996)


Article DOI: 10.1021/jm9506985
BindingDB Entry DOI: 10.7270/Q2862FJG
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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n/an/a 9n/an/an/an/an/an/a



Rhone-Poulenc Rorer Central Research

Curated by ChEMBL


Assay Description
Affinity of the compound for guinea pig PMN LTB-4 receptors.


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))
BDBM50001611
PNG
((E)-3-{3-(2-Carboxy-ethyl)-4-[6-(4-methoxy-phenyl)...)
Show SMILES COc1ccc(\C=C\CCCCOc2ccc(cc2CCC(O)=O)C(=O)c2cccc(c2)C(O)=O)cc1
Show InChI InChI=1S/C30H30O7/c1-36-26-14-10-21(11-15-26)7-4-2-3-5-18-37-27-16-12-24(19-22(27)13-17-28(31)32)29(33)23-8-6-9-25(20-23)30(34)35/h4,6-12,14-16,19-20H,2-3,5,13,17-18H2,1H3,(H,31,32)(H,34,35)/b7-4+
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n/an/a 12n/an/an/an/an/an/a



Rhone-Poulenc Rorer Central Research

Curated by ChEMBL


Assay Description
Antagonistic activity of the compound against human polymorphonuclear (PMN) LTB4 receptor


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))
BDBM50053216
PNG
((E)-3-{3-[(Methyl-phenethyl-carbamoyl)-methyl]-phe...)
Show SMILES CN(CCc1ccccc1)C(=O)Cc1cccc(\C=C\C(O)=O)c1
Show InChI InChI=1S/C20H21NO3/c1-21(13-12-16-6-3-2-4-7-16)19(22)15-18-9-5-8-17(14-18)10-11-20(23)24/h2-11,14H,12-13,15H2,1H3,(H,23,24)/b11-10+
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n/an/a 50n/an/an/an/an/an/a



Rhone-Poulenc Rorer Central Research

Curated by ChEMBL


Assay Description
Compound tested for binding affinity against Leukotriene B4 receptor using radioligand binding assay from Human PMN cells


J Med Chem 39: 3748-55 (1996)


Article DOI: 10.1021/jm9506985
BindingDB Entry DOI: 10.7270/Q2862FJG
More data for this
Ligand-Target Pair
Leukotriene B4 receptor 1


(Homo sapiens (Human))
BDBM50053237
PNG
(8-Benzyloxy-4-[(methyl-phenethyl-carbamoyl)-methyl...)
Show SMILES CN(O)C(=O)c1cc(CC(=O)N(C)CCc2ccccc2)c2cccc(OCc3ccccc3)c2c1
Show InChI InChI=1S/C30H30N2O4/c1-31(17-16-22-10-5-3-6-11-22)29(33)20-24-18-25(30(34)32(2)35)19-27-26(24)14-9-15-28(27)36-21-23-12-7-4-8-13-23/h3-15,18-19,35H,16-17,20-21H2,1-2H3
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n/an/a 60n/an/an/an/an/an/a



Rhône-Poulenc Rorer Central Research

Curated by ChEMBL


Assay Description
Compound was evaluated for LTB4 receptor binding, obtained from radioligand binding assay using human intact neutrophils PMN


J Med Chem 39: 3756-68 (1996)


Article DOI: 10.1021/jm950699x
BindingDB Entry DOI: 10.7270/Q24F1PTR
More data for this
Ligand-Target Pair
Leukotriene B4 receptor 1


(Homo sapiens (Human))
BDBM50053237
PNG
(8-Benzyloxy-4-[(methyl-phenethyl-carbamoyl)-methyl...)
Show SMILES CN(O)C(=O)c1cc(CC(=O)N(C)CCc2ccccc2)c2cccc(OCc3ccccc3)c2c1
Show InChI InChI=1S/C30H30N2O4/c1-31(17-16-22-10-5-3-6-11-22)29(33)20-24-18-25(30(34)32(2)35)19-27-26(24)14-9-15-28(27)36-21-23-12-7-4-8-13-23/h3-15,18-19,35H,16-17,20-21H2,1-2H3
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n/an/a 60n/an/an/an/an/an/a



Rhône-Poulenc Rorer Central Research

Curated by ChEMBL


Assay Description
Compound was evaluated for LTB4 receptor binding, obtained from radioligand binding assay using human intact neutrophils PMN


J Med Chem 39: 3756-68 (1996)


Article DOI: 10.1021/jm950699x
BindingDB Entry DOI: 10.7270/Q24F1PTR
More data for this
Ligand-Target Pair
Leukotriene B4 receptor 1


(Homo sapiens (Human))
BDBM50053250
PNG
(2-(5-Benzyloxy-3-formyl-indol-1-yl)-N-methyl-N-phe...)
Show SMILES CN(CCc1ccccc1)C(=O)Cn1cc(C=O)c2cc(OCc3ccccc3)ccc12
Show InChI InChI=1S/C27H26N2O3/c1-28(15-14-21-8-4-2-5-9-21)27(31)18-29-17-23(19-30)25-16-24(12-13-26(25)29)32-20-22-10-6-3-7-11-22/h2-13,16-17,19H,14-15,18,20H2,1H3
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n/an/a 80n/an/an/an/an/an/a



Rhône-Poulenc Rorer Central Research

Curated by ChEMBL


Assay Description
Compound was evaluated for Leukotriene B4 receptor binding, obtained from radioligand binding assay using guinea pig spleen cell membrane


J Med Chem 39: 3756-68 (1996)


Article DOI: 10.1021/jm950699x
BindingDB Entry DOI: 10.7270/Q24F1PTR
More data for this
Ligand-Target Pair
Leukotriene B4 receptor 1


(Homo sapiens (Human))
BDBM50053250
PNG
(2-(5-Benzyloxy-3-formyl-indol-1-yl)-N-methyl-N-phe...)
Show SMILES CN(CCc1ccccc1)C(=O)Cn1cc(C=O)c2cc(OCc3ccccc3)ccc12
Show InChI InChI=1S/C27H26N2O3/c1-28(15-14-21-8-4-2-5-9-21)27(31)18-29-17-23(19-30)25-16-24(12-13-26(25)29)32-20-22-10-6-3-7-11-22/h2-13,16-17,19H,14-15,18,20H2,1H3
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n/an/a 80n/an/an/an/an/an/a



Rhône-Poulenc Rorer Central Research

Curated by ChEMBL


Assay Description
Compound was evaluated for Leukotriene B4 receptor binding, obtained from radioligand binding assay using guinea pig spleen cell membrane


J Med Chem 39: 3756-68 (1996)


Article DOI: 10.1021/jm950699x
BindingDB Entry DOI: 10.7270/Q24F1PTR
More data for this
Ligand-Target Pair
Leukotriene B4 receptor 1


(Homo sapiens (Human))
BDBM50053240
PNG
((E)-3-{5-Benzyloxy-1-[(methyl-phenethyl-carbamoyl)...)
Show SMILES CCOC(=O)\C=C\c1cn(CC(=O)N(C)CCc2ccccc2)c2ccc(OCc3ccccc3)cc12
Show InChI InChI=1S/C31H32N2O4/c1-3-36-31(35)17-14-26-21-33(22-30(34)32(2)19-18-24-10-6-4-7-11-24)29-16-15-27(20-28(26)29)37-23-25-12-8-5-9-13-25/h4-17,20-21H,3,18-19,22-23H2,1-2H3/b17-14+
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n/an/a>300n/an/an/an/an/an/a



Rhône-Poulenc Rorer Central Research

Curated by ChEMBL


Assay Description
Compound was evaluated for Leukotriene B4 receptor binding, obtained from radioligand binding assay using guinea pig spleen cell membrane


J Med Chem 39: 3756-68 (1996)


Article DOI: 10.1021/jm950699x
BindingDB Entry DOI: 10.7270/Q24F1PTR
More data for this
Ligand-Target Pair
Leukotriene B4 receptor 1


(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 300n/an/an/an/an/an/a



Rhone-Poulenc Rorer Central Research

Curated by ChEMBL


Assay Description
Concentration of the compound inhibiting the binding of [3H]-LTB4 to human neutrophils


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))
BDBM50053214
PNG
(2-(4-Benzyloxy-phenyl)-N-methyl-N-phenethyl-acetam...)
Show SMILES CN(CCc1ccccc1)C(=O)Cc1ccc(OCc2ccccc2)cc1
Show InChI InChI=1S/C24H25NO2/c1-25(17-16-20-8-4-2-5-9-20)24(26)18-21-12-14-23(15-13-21)27-19-22-10-6-3-7-11-22/h2-15H,16-19H2,1H3
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n/an/a 900n/an/an/an/an/an/a



Rhone-Poulenc Rorer Central Research

Curated by ChEMBL


Assay Description
Compound tested for binding affinity against Leukotriene B4 receptor using radioligand binding assay from Human PMN cells


J Med Chem 39: 3748-55 (1996)


Article DOI: 10.1021/jm9506985
BindingDB Entry DOI: 10.7270/Q2862FJG
More data for this
Ligand-Target Pair
Leukotriene B4 receptor 1


(Homo sapiens (Human))
BDBM50001612
PNG
(2-(4-Benzyloxy-cyclohexa-1,3-dienyl)-N-methyl-N-ph...)
Show SMILES CN(CCc1ccccc1)C(=O)CC1=CC=C(CC1)OCc1ccccc1 |c:16,t:14|
Show InChI InChI=1S/C24H27NO2/c1-25(17-16-20-8-4-2-5-9-20)24(26)18-21-12-14-23(15-13-21)27-19-22-10-6-3-7-11-22/h2-12,14H,13,15-19H2,1H3
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n/an/a 4.70E+3n/an/an/an/an/an/a



Rhone-Poulenc Rorer Central Research

Curated by ChEMBL


Assay Description
Antagonistic activity of the compound in human polymorphonuclear (PMN) LTB4 receptor


J Med Chem 35: 4253-5 (1992)


BindingDB Entry DOI: 10.7270/Q208648W
More data for this
Ligand-Target Pair