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Articleid 50030138

Compile data set for download or QSAR
Found 15 hits of Enzyme Inhibition Constant Data   
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))		BDBM50291519
PNG
(3-(3-Biphenyl-4-yl-but-2-enoylamino)-4-methoxy-ben...)
Show SMILES COc1ccc(cc1NC(=O)\C=C(/C)c1ccc(cc1)-c1ccccc1)C(O)=O
Show InChI InChI=1S/C24H21NO4/c1-16(17-8-10-19(11-9-17)18-6-4-3-5-7-18)14-23(26)25-21-15-20(24(27)28)12-13-22(21)29-2/h3-15H,1-2H3,(H,25,26)(H,27,28)/b16-14+
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n/an/a 16n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro binding affinity towards LTB4 receptor determined by measuring the displacement of [3H]-LTB4 from isolated neutrophils

Bioorg Med Chem Lett 7: 949-954 (1997)


Article DOI: 10.1016/S0960-894X(97)00134-0
BindingDB Entry DOI: 10.7270/Q25D8RW3
More data for this
Ligand-Target Pair
Leukotriene B4 receptor 1


(Homo sapiens (Human))		BDBM50291521
PNG
((E)-3-Biphenyl-4-yl-N-[2-methoxy-5-(1H-tetrazol-5-...)
Show SMILES COc1ccc(cc1NC(=O)C=Cc1ccc(cc1)-c1ccccc1)-c1nnn[nH]1 |w:12.13|
Show InChI InChI=1S/C23H19N5O2/c1-30-21-13-12-19(23-25-27-28-26-23)15-20(21)24-22(29)14-9-16-7-10-18(11-8-16)17-5-3-2-4-6-17/h2-15H,1H3,(H,24,29)(H,25,26,27,28)
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n/an/a 17n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro binding affinity towards LTB4 receptor determined by measuring the displacement of [3H]-LTB4 from isolated neutrophils

Bioorg Med Chem Lett 7: 949-954 (1997)


Article DOI: 10.1016/S0960-894X(97)00134-0
BindingDB Entry DOI: 10.7270/Q25D8RW3
More data for this
Ligand-Target Pair
Leukotriene B4 receptor 1


(Homo sapiens (Human))		BDBM50291516
PNG
(3-((E)-3-Biphenyl-4-yl-acryloylamino)-4-methoxy-be...)
Show SMILES COc1ccc(cc1NC(=O)\C=C\c1ccc(cc1)-c1ccccc1)C(O)=O
Show InChI InChI=1S/C23H19NO4/c1-28-21-13-12-19(23(26)27)15-20(21)24-22(25)14-9-16-7-10-18(11-8-16)17-5-3-2-4-6-17/h2-15H,1H3,(H,24,25)(H,26,27)/b14-9+
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n/an/a 68n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro binding affinity towards LTB4 receptor determined by measuring the displacement of [3H]-LTB4 from isolated neutrophils

Bioorg Med Chem Lett 7: 949-954 (1997)


Article DOI: 10.1016/S0960-894X(97)00134-0
BindingDB Entry DOI: 10.7270/Q25D8RW3
More data for this
Ligand-Target Pair
Leukotriene B4 receptor 1


(Homo sapiens (Human))		BDBM50291512
PNG
(3-((E)-3-Biphenyl-4-yl-acryloylamino)-4-ethoxy-ben...)
Show SMILES CCOc1ccc(cc1NC(=O)\C=C\c1ccc(cc1)-c1ccccc1)C(O)=O
Show InChI InChI=1S/C24H21NO4/c1-2-29-22-14-13-20(24(27)28)16-21(22)25-23(26)15-10-17-8-11-19(12-9-17)18-6-4-3-5-7-18/h3-16H,2H2,1H3,(H,25,26)(H,27,28)/b15-10+
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n/an/a 190n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro binding affinity towards LTB4 receptor determined by measuring the displacement of [3H]-LTB4 from isolated neutrophils

Bioorg Med Chem Lett 7: 949-954 (1997)


Article DOI: 10.1016/S0960-894X(97)00134-0
BindingDB Entry DOI: 10.7270/Q25D8RW3
More data for this
Ligand-Target Pair
Leukotriene B4 receptor 1


(Homo sapiens (Human))		BDBM50291515
PNG
(4-Methoxy-3-[3-(4'-methyl-biphenyl-4-yl)-acryloyla...)
Show SMILES COc1ccc(cc1NC(=O)\C=C\c1ccc(cc1)-c1ccc(C)cc1)C(O)=O
Show InChI InChI=1S/C24H21NO4/c1-16-3-8-18(9-4-16)19-10-5-17(6-11-19)7-14-23(26)25-21-15-20(24(27)28)12-13-22(21)29-2/h3-15H,1-2H3,(H,25,26)(H,27,28)/b14-7+
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n/an/a 276n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro binding affinity towards LTB4 receptor determined by measuring the displacement of [3H]-LTB4 from isolated neutrophils

Bioorg Med Chem Lett 7: 949-954 (1997)


Article DOI: 10.1016/S0960-894X(97)00134-0
BindingDB Entry DOI: 10.7270/Q25D8RW3
More data for this
Ligand-Target Pair
Leukotriene B4 receptor 1


(Homo sapiens (Human))		BDBM50291507
PNG
(3-(3-Biphenyl-4-yl-3-oxo-propionylamino)-4-methoxy...)
Show SMILES COc1ccc(cc1NC(=O)CC(=O)c1ccc(cc1)-c1ccccc1)C(O)=O
Show InChI InChI=1S/C23H19NO5/c1-29-21-12-11-18(23(27)28)13-19(21)24-22(26)14-20(25)17-9-7-16(8-10-17)15-5-3-2-4-6-15/h2-13H,14H2,1H3,(H,24,26)(H,27,28)
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n/an/a 784n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro binding affinity towards LTB4 receptor determined by measuring the displacement of [3H]-LTB4 from isolated neutrophils

Bioorg Med Chem Lett 7: 949-954 (1997)


Article DOI: 10.1016/S0960-894X(97)00134-0
BindingDB Entry DOI: 10.7270/Q25D8RW3
More data for this
Ligand-Target Pair
Leukotriene B4 receptor 1


(Homo sapiens (Human))		BDBM50291511
PNG
(2-((E)-3-Biphenyl-4-yl-acryloylamino)-benzoic acid...)
Show SMILES OC(=O)c1ccccc1NC(=O)\C=C\c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C22H17NO3/c24-21(23-20-9-5-4-8-19(20)22(25)26)15-12-16-10-13-18(14-11-16)17-6-2-1-3-7-17/h1-15H,(H,23,24)(H,25,26)/b15-12+
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n/an/a 830n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro binding affinity towards LTB4 receptor determined by measuring the displacement of [3H]-LTB4 from isolated neutrophils

Bioorg Med Chem Lett 7: 949-954 (1997)


Article DOI: 10.1016/S0960-894X(97)00134-0
BindingDB Entry DOI: 10.7270/Q25D8RW3
More data for this
Ligand-Target Pair
Leukotriene B4 receptor 1


(Homo sapiens (Human))		BDBM50291509
PNG
(3-((E)-3-Biphenyl-4-yl-acryloylamino)-4-chloro-ben...)
Show SMILES OC(=O)c1ccc(Cl)c(NC(=O)\C=C\c2ccc(cc2)-c2ccccc2)c1
Show InChI InChI=1S/C22H16ClNO3/c23-19-12-11-18(22(26)27)14-20(19)24-21(25)13-8-15-6-9-17(10-7-15)16-4-2-1-3-5-16/h1-14H,(H,24,25)(H,26,27)/b13-8+
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n/an/a 908n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro binding affinity towards LTB4 receptor determined by measuring the displacement of [3H]-LTB4 from isolated neutrophils

Bioorg Med Chem Lett 7: 949-954 (1997)


Article DOI: 10.1016/S0960-894X(97)00134-0
BindingDB Entry DOI: 10.7270/Q25D8RW3
More data for this
Ligand-Target Pair
Leukotriene B4 receptor 1


(Homo sapiens (Human))		BDBM50291510
PNG
(3-[((1S,2S)-2-Biphenyl-4-yl-cyclopropanecarbonyl)-...)
Show SMILES COc1ccc(cc1NC(=O)[C@H]1C[C@@H]1c1ccc(cc1)-c1ccccc1)C(O)=O
Show InChI InChI=1S/C24H21NO4/c1-29-22-12-11-18(24(27)28)13-21(22)25-23(26)20-14-19(20)17-9-7-16(8-10-17)15-5-3-2-4-6-15/h2-13,19-20H,14H2,1H3,(H,25,26)(H,27,28)/t19-,20+/m1/s1
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n/an/a 932n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro binding affinity towards LTB4 receptor determined by measuring the displacement of [3H]-LTB4 from isolated neutrophils

Bioorg Med Chem Lett 7: 949-954 (1997)


Article DOI: 10.1016/S0960-894X(97)00134-0
BindingDB Entry DOI: 10.7270/Q25D8RW3
More data for this
Ligand-Target Pair
Leukotriene B4 receptor 1


(Homo sapiens (Human))		BDBM50291518
PNG
(2-((E)-3-Biphenyl-4-yl-acryloylamino)-3-methoxy-be...)
Show SMILES COc1cccc(C(O)=O)c1NC(=O)\C=C\c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C23H19NO4/c1-28-20-9-5-8-19(23(26)27)22(20)24-21(25)15-12-16-10-13-18(14-11-16)17-6-3-2-4-7-17/h2-15H,1H3,(H,24,25)(H,26,27)/b15-12+
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n/an/a 1.18E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro binding affinity towards LTB4 receptor determined by measuring the displacement of [3H]-LTB4 from isolated neutrophils

Bioorg Med Chem Lett 7: 949-954 (1997)


Article DOI: 10.1016/S0960-894X(97)00134-0
BindingDB Entry DOI: 10.7270/Q25D8RW3
More data for this
Ligand-Target Pair
Leukotriene B4 receptor 1


(Homo sapiens (Human))		BDBM50291514
PNG
(3-((E)-3-Biphenyl-4-yl-acryloylamino)-benzoic acid...)
Show SMILES OC(=O)c1cccc(NC(=O)\C=C\c2ccc(cc2)-c2ccccc2)c1
Show InChI InChI=1S/C22H17NO3/c24-21(23-20-8-4-7-19(15-20)22(25)26)14-11-16-9-12-18(13-10-16)17-5-2-1-3-6-17/h1-15H,(H,23,24)(H,25,26)/b14-11+
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n/an/a 1.18E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro binding affinity towards LTB4 receptor determined by measuring the displacement of [3H]-LTB4 from isolated neutrophils

Bioorg Med Chem Lett 7: 949-954 (1997)


Article DOI: 10.1016/S0960-894X(97)00134-0
BindingDB Entry DOI: 10.7270/Q25D8RW3
More data for this
Ligand-Target Pair
Leukotriene B4 receptor 1


(Homo sapiens (Human))		BDBM50291520
PNG
(4-Methoxy-3-[3-(2-methyl-biphenyl-4-yl)-acryloylam...)
Show SMILES COc1ccc(cc1NC(=O)\C=C\c1ccc(c(C)c1)-c1ccccc1)C(O)=O
Show InChI InChI=1S/C24H21NO4/c1-16-14-17(8-11-20(16)18-6-4-3-5-7-18)9-13-23(26)25-21-15-19(24(27)28)10-12-22(21)29-2/h3-15H,1-2H3,(H,25,26)(H,27,28)/b13-9+
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n/an/a 1.22E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro binding affinity towards LTB4 receptor determined by measuring the displacement of [3H]-LTB4 from isolated neutrophils

Bioorg Med Chem Lett 7: 949-954 (1997)


Article DOI: 10.1016/S0960-894X(97)00134-0
BindingDB Entry DOI: 10.7270/Q25D8RW3
More data for this
Ligand-Target Pair
Leukotriene B4 receptor 1


(Homo sapiens (Human))		BDBM50291517
PNG
(3-(3-Biphenyl-4-yl-propionylamino)-4-methoxy-benzo...)
Show SMILES COc1ccc(cc1NC(=O)CCc1ccc(cc1)-c1ccccc1)C(O)=O
Show InChI InChI=1S/C23H21NO4/c1-28-21-13-12-19(23(26)27)15-20(21)24-22(25)14-9-16-7-10-18(11-8-16)17-5-3-2-4-6-17/h2-8,10-13,15H,9,14H2,1H3,(H,24,25)(H,26,27)
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n/an/a 1.51E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro binding affinity towards LTB4 receptor determined by measuring the displacement of [3H]-LTB4 from isolated neutrophils

Bioorg Med Chem Lett 7: 949-954 (1997)


Article DOI: 10.1016/S0960-894X(97)00134-0
BindingDB Entry DOI: 10.7270/Q25D8RW3
More data for this
Ligand-Target Pair
Leukotriene B4 receptor 1


(Homo sapiens (Human))		BDBM50291513
PNG
(4-Methoxy-3-[3-(2'-methyl-biphenyl-4-yl)-acryloyla...)
Show SMILES COc1ccc(cc1NC(=O)\C=C\c1ccc(cc1)-c1ccccc1C)C(O)=O
Show InChI InChI=1S/C24H21NO4/c1-16-5-3-4-6-20(16)18-10-7-17(8-11-18)9-14-23(26)25-21-15-19(24(27)28)12-13-22(21)29-2/h3-15H,1-2H3,(H,25,26)(H,27,28)/b14-9+
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n/an/a 4.57E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro binding affinity towards LTB4 receptor determined by measuring the displacement of [3H]-LTB4 from isolated neutrophils

Bioorg Med Chem Lett 7: 949-954 (1997)


Article DOI: 10.1016/S0960-894X(97)00134-0
BindingDB Entry DOI: 10.7270/Q25D8RW3
More data for this
Ligand-Target Pair
Leukotriene B4 receptor 1


(Homo sapiens (Human))		BDBM50291508
PNG
((E)-3-Biphenyl-4-yl-N-(2-methoxy-phenyl)-acrylamid...)
Show SMILES COc1ccccc1NC(=O)\C=C\c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C22H19NO2/c1-25-21-10-6-5-9-20(21)23-22(24)16-13-17-11-14-19(15-12-17)18-7-3-2-4-8-18/h2-16H,1H3,(H,23,24)/b16-13+
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n/an/a>1.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro binding affinity towards LTB4 receptor determined by measuring the displacement of [3H]-LTB4 from isolated neutrophils

Bioorg Med Chem Lett 7: 949-954 (1997)


Article DOI: 10.1016/S0960-894X(97)00134-0
BindingDB Entry DOI: 10.7270/Q25D8RW3
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%