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Compile Data Set for Download or QSAR

Found 21 hits with Last Name = 'chin' and Initial = 'mh'   
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))
BDBM50072996
PNG
(3-[5-((E)-2-Diethylcarbamoyl-1-methyl-vinyl)-2-(1-...)
Show SMILES CCN(CC)C(=O)\C=C(/C)c1ccc(OC(C)c2ccccc2)c(CCC(O)=O)c1
Show InChI InChI=1S/C25H31NO4/c1-5-26(6-2)24(27)16-18(3)21-12-14-23(22(17-21)13-15-25(28)29)30-19(4)20-10-8-7-9-11-20/h7-12,14,16-17,19H,5-6,13,15H2,1-4H3,(H,28,29)/b18-16+
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9.5n/an/an/an/an/an/an/an/a



Novartis Pharmaceuticals Corporation

Curated by ChEMBL


Assay Description
Leukotriene B4 receptor antagonistic activity was measured by the inhibition of LTB4 induced [Ca2+] release from human PMNs


J Med Chem 42: 164-72 (1999)


Article DOI: 10.1021/jm980540v
BindingDB Entry DOI: 10.7270/Q26972QG
More data for this
Ligand-Target Pair
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
Endothelin-1 receptor


(Sus scrofa)
BDBM50280989
PNG
(2,6-dimethyl-5-methyloxycarbonyl-4-(3-nitrophenyl)...)
Show SMILES COC(=O)C1[C@@H](C(C(=O)OC(=[OH+])C2=C(C)N=C(C)C([C@H]2c2cccc(c2)[N+]([O-])=O)=C([O-])OC)=C(C)N=C1C)c1cccc(c1)[N+]([O-])=O |w:29.31,c:12,37,t:15,34|
Show InChI InChI=1S/C32H30N4O11/c1-15-23(29(37)45-5)27(19-9-7-11-21(13-19)35(41)42)25(17(3)33-15)31(39)47-32(40)26-18(4)34-16(2)24(30(38)46-6)28(26)20-10-8-12-22(14-20)36(43)44/h7-14,23,27-28,38H,1-6H3/t23?,27-,28+/m0/s1
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n/an/a 16n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Tested for its ability to inhibit the binding of [125I]-ET-1 to the Endothelin A receptor in porcine thoracic aorta membranes.


Bioorg Med Chem Lett 3: 2099-2104 (1993)


Article DOI: 10.1016/S0960-894X(01)81025-8
BindingDB Entry DOI: 10.7270/Q2DV1JS8
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
Endothelin receptor type B


(RAT)
BDBM50280989
PNG
(2,6-dimethyl-5-methyloxycarbonyl-4-(3-nitrophenyl)...)
Show SMILES COC(=O)C1[C@@H](C(C(=O)OC(=[OH+])C2=C(C)N=C(C)C([C@H]2c2cccc(c2)[N+]([O-])=O)=C([O-])OC)=C(C)N=C1C)c1cccc(c1)[N+]([O-])=O |w:29.31,c:12,37,t:15,34|
Show InChI InChI=1S/C32H30N4O11/c1-15-23(29(37)45-5)27(19-9-7-11-21(13-19)35(41)42)25(17(3)33-15)31(39)47-32(40)26-18(4)34-16(2)24(30(38)46-6)28(26)20-10-8-12-22(14-20)36(43)44/h7-14,23,27-28,38H,1-6H3/t23?,27-,28+/m0/s1
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n/an/a 295n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Tested for its ability to inhibit the binding of [125I]-ET-1 to the Endothelin B receptor in rat cerebellum membranes.


Bioorg Med Chem Lett 3: 2099-2104 (1993)


Article DOI: 10.1016/S0960-894X(01)81025-8
BindingDB Entry DOI: 10.7270/Q2DV1JS8
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Sus scrofa)
BDBM50280990
PNG
(2,6-dimethyl-5-methyloxycarbonyl-4-(3-nitrophenyl)...)
Show SMILES COC(=O)C1[C@@H](C(C(=O)OC(=[OH+])C2=C(C)N=C(C)C([C@@H]2c2cccc(c2)[N+]([O-])=O)=C([O-])OC)=C(C)N=C1C)c1cccc(c1)[N+]([O-])=O |w:29.31,c:12,37,t:15,34|
Show InChI InChI=1S/C32H30N4O11/c1-15-23(29(37)45-5)27(19-9-7-11-21(13-19)35(41)42)25(17(3)33-15)31(39)47-32(40)26-18(4)34-16(2)24(30(38)46-6)28(26)20-10-8-12-22(14-20)36(43)44/h7-14,23,27-28,38H,1-6H3/t23?,27-,28-/m0/s1
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n/an/a 422n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Tested for its inhibitory activity against Endothelin A receptor


Bioorg Med Chem Lett 3: 2099-2104 (1993)


Article DOI: 10.1016/S0960-894X(01)81025-8
BindingDB Entry DOI: 10.7270/Q2DV1JS8
More data for this
Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1C/alpha-1D/alpha-1S


(Rattus norvegicus-RAT)
BDBM50280989
PNG
(2,6-dimethyl-5-methyloxycarbonyl-4-(3-nitrophenyl)...)
Show SMILES COC(=O)C1[C@@H](C(C(=O)OC(=[OH+])C2=C(C)N=C(C)C([C@H]2c2cccc(c2)[N+]([O-])=O)=C([O-])OC)=C(C)N=C1C)c1cccc(c1)[N+]([O-])=O |w:29.31,c:12,37,t:15,34|
Show InChI InChI=1S/C32H30N4O11/c1-15-23(29(37)45-5)27(19-9-7-11-21(13-19)35(41)42)25(17(3)33-15)31(39)47-32(40)26-18(4)34-16(2)24(30(38)46-6)28(26)20-10-8-12-22(14-20)36(43)44/h7-14,23,27-28,38H,1-6H3/t23?,27-,28+/m0/s1
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n/an/a 592n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [3H]PN-200-110 binding to L-type calcium channels in rat cortex membranes.


Bioorg Med Chem Lett 3: 2099-2104 (1993)


Article DOI: 10.1016/S0960-894X(01)81025-8
BindingDB Entry DOI: 10.7270/Q2DV1JS8
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
Endothelin receptor type B


(RAT)
BDBM50280990
PNG
(2,6-dimethyl-5-methyloxycarbonyl-4-(3-nitrophenyl)...)
Show SMILES COC(=O)C1[C@@H](C(C(=O)OC(=[OH+])C2=C(C)N=C(C)C([C@@H]2c2cccc(c2)[N+]([O-])=O)=C([O-])OC)=C(C)N=C1C)c1cccc(c1)[N+]([O-])=O |w:29.31,c:12,37,t:15,34|
Show InChI InChI=1S/C32H30N4O11/c1-15-23(29(37)45-5)27(19-9-7-11-21(13-19)35(41)42)25(17(3)33-15)31(39)47-32(40)26-18(4)34-16(2)24(30(38)46-6)28(26)20-10-8-12-22(14-20)36(43)44/h7-14,23,27-28,38H,1-6H3/t23?,27-,28-/m0/s1
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n/an/a 2.70E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Tested for its inhibitory activity against Endothelin B receptor


Bioorg Med Chem Lett 3: 2099-2104 (1993)


Article DOI: 10.1016/S0960-894X(01)81025-8
BindingDB Entry DOI: 10.7270/Q2DV1JS8
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