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Compile Data Set for Download or QSAR

Found 205 hits with Last Name = 'dereu' and Initial = 'n'   
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))
BDBM50001668
PNG
(6-(4-Benzo[1,3]dioxol-5-yl-6-phenyl-pyridin-2-ylox...)
Show SMILES OC(=O)CCCCCOc1cc(cc(n1)-c1ccccc1)-c1ccc2OCOc2c1
Show InChI InChI=1S/C24H23NO5/c26-24(27)9-5-2-6-12-28-23-15-19(13-20(25-23)17-7-3-1-4-8-17)18-10-11-21-22(14-18)30-16-29-21/h1,3-4,7-8,10-11,13-15H,2,5-6,9,12,16H2,(H,26,27)
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n/an/a 1n/an/an/an/an/an/a



Centre de Recherche de Vitry-Alfortville

Curated by ChEMBL


Assay Description
Inhibition of LTB4-induced elastase release in human polymorphonuclear leukocytes


J Med Chem 35: 4315-24 (1992)


BindingDB Entry DOI: 10.7270/Q2QR4W2W
More data for this
Ligand-Target Pair
Leukotriene B4 receptor 1


(Homo sapiens (Human))
BDBM50001637
PNG
(6-[4-(3-Methoxy-phenyl)-6-phenyl-pyridin-2-yloxy]-...)
Show SMILES COc1cccc(c1)-c1cc(OCCCCC(C)C(O)=O)nc(c1)-c1ccccc1
Show InChI InChI=1S/C25H27NO4/c1-18(25(27)28)9-6-7-14-30-24-17-21(20-12-8-13-22(15-20)29-2)16-23(26-24)19-10-4-3-5-11-19/h3-5,8,10-13,15-18H,6-7,9,14H2,1-2H3,(H,27,28)
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n/an/a 2n/an/an/an/an/an/a



Centre de Recherche de Vitry-Alfortville

Curated by ChEMBL


Assay Description
Inhibition of [3H]-LTB4 binding to Leukotriene B4 receptor in the guinea pig spleen membranes.


J Med Chem 35: 4315-24 (1992)


BindingDB Entry DOI: 10.7270/Q2QR4W2W
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase A


(Homo sapiens (Human))
BDBM50022815
PNG
((3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-30-ethyl-33...)
Show SMILES CC[C@@H]1NC(=O)[C@H]([C@H](O)[C@H](C)C\C=C\C)N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C1=O)C(C)C |r|
Show InChI InChI=1S/C62H111N11O12/c1-25-27-28-40(15)52(75)51-56(79)65-43(26-2)58(81)67(18)33-48(74)68(19)44(29-34(3)4)55(78)66-49(38(11)12)61(84)69(20)45(30-35(5)6)54(77)63-41(16)53(76)64-42(17)57(80)70(21)46(31-36(7)8)59(82)71(22)47(32-37(9)10)60(83)72(23)50(39(13)14)62(85)73(51)24/h25,27,34-47,49-52,75H,26,28-33H2,1-24H3,(H,63,77)(H,64,76)(H,65,79)(H,66,78)/b27-25+/t40-,41+,42-,43+,44+,45+,46+,47+,49+,50+,51+,52-/m1/s1
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Centre de Recherche de Paris

Curated by ChEMBL


Assay Description
Immunosuppressive activity was measured by inhibition of the IL-2 production in Jurkat cells.


Bioorg Med Chem Lett 13: 4415-9 (2003)


BindingDB Entry DOI: 10.7270/Q2183715
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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Centre de Recherche de Vitry-Alfortville

Curated by ChEMBL


Assay Description
Inhibition of LTB4-induced elastase release in human polymorphonuclear leukocytes


J Med Chem 35: 4315-24 (1992)


BindingDB Entry DOI: 10.7270/Q2QR4W2W
More data for this
Ligand-Target Pair
Leukotriene B4 receptor 1


(Homo sapiens (Human))
BDBM50001657
PNG
(6-[4-Benzo[1,3]dioxol-5-yl-6-(2-chloro-phenyl)-pyr...)
Show SMILES CC(CCCCOc1cc(cc(n1)-c1ccccc1Cl)-c1ccc2OCOc2c1)C(O)=O
Show InChI InChI=1S/C25H24ClNO5/c1-16(25(28)29)6-4-5-11-30-24-14-18(17-9-10-22-23(13-17)32-15-31-22)12-21(27-24)19-7-2-3-8-20(19)26/h2-3,7-10,12-14,16H,4-6,11,15H2,1H3,(H,28,29)
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Centre de Recherche de Vitry-Alfortville

Curated by ChEMBL


Assay Description
Inhibition of LTB4-induced elastase release in human polymorphonuclear leukocytes


J Med Chem 35: 4315-24 (1992)


BindingDB Entry DOI: 10.7270/Q2QR4W2W
More data for this
Ligand-Target Pair
Leukotriene B4 receptor 1


(Homo sapiens (Human))
BDBM50001667
PNG
(6-[4-(4-Amino-phenyl)-6-phenyl-pyridin-2-yloxy]-he...)
Show SMILES Nc1ccc(cc1)-c1cc(OCCCCCC(O)=O)nc(c1)-c1ccccc1
Show InChI InChI=1S/C23H24N2O3/c24-20-12-10-17(11-13-20)19-15-21(18-7-3-1-4-8-18)25-22(16-19)28-14-6-2-5-9-23(26)27/h1,3-4,7-8,10-13,15-16H,2,5-6,9,14,24H2,(H,26,27)
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Centre de Recherche de Vitry-Alfortville

Curated by ChEMBL


Assay Description
Inhibition of [3H]-LTB4 binding to Leukotriene B4 receptor in the human polymorphonuclear leukocytes.


J Med Chem 35: 4315-24 (1992)


BindingDB Entry DOI: 10.7270/Q2QR4W2W
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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Centre de Recherche de Vitry-Alfortville

Curated by ChEMBL


Assay Description
Inhibition of [3H]-LTB4 binding to Leukotriene B4 receptor in the human polymorphonuclear leukocytes


J Med Chem 35: 4306-14 (1992)


BindingDB Entry DOI: 10.7270/Q2VH5MS6
More data for this
Ligand-Target Pair
Leukotriene B4 receptor 1


(Homo sapiens (Human))
BDBM50001658
PNG
(6-(4,6-Diphenyl-pyridin-2-yloxy)-hexanoic acid | C...)
Show SMILES OC(=O)CCCCCOc1cc(cc(n1)-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C23H23NO3/c25-23(26)14-8-3-9-15-27-22-17-20(18-10-4-1-5-11-18)16-21(24-22)19-12-6-2-7-13-19/h1-2,4-7,10-13,16-17H,3,8-9,14-15H2,(H,25,26)
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Centre de Recherche de Vitry-Alfortville

Curated by ChEMBL


Assay Description
Inhibition of [3H]-LTB4 binding to Leukotriene B4 receptor in the guinea pig spleen membranes.


J Med Chem 35: 4315-24 (1992)


BindingDB Entry DOI: 10.7270/Q2QR4W2W
More data for this
Ligand-Target Pair
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)
BDBM50136490
PNG
(CHEMBL3038087 | Cyclosporin A analogue)
Show SMILES CC[C@@H]1NC(=O)[C@H]([C@H](O)[C@H](C)C\C=C\C)N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](SC)N(C)C1=O)C(C)C
Show InChI InChI=1S/C63H113N11O12S/c1-26-28-29-40(15)51(75)50-55(79)66-43(27-2)57(81)74(24)63(87-25)62(86)69(19)45(31-35(5)6)54(78)67-48(38(11)12)60(84)68(18)44(30-34(3)4)53(77)64-41(16)52(76)65-42(17)56(80)70(20)46(32-36(7)8)58(82)71(21)47(33-37(9)10)59(83)72(22)49(39(13)14)61(85)73(50)23/h26,28,34-51,63,75H,27,29-33H2,1-25H3,(H,64,77)(H,65,76)(H,66,79)(H,67,78)/b28-26+/t40-,41+,42-,43+,44+,45+,46+,47+,48+,49+,50+,51-,63-/m1/s1
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n/an/a 3n/an/an/an/an/an/a



Centre de Recherche de Paris

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against HIV-1 RT in CEM4 cell line


Bioorg Med Chem Lett 13: 4415-9 (2003)


BindingDB Entry DOI: 10.7270/Q2183715
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase A


(Homo sapiens (Human))
BDBM50136490
PNG
(CHEMBL3038087 | Cyclosporin A analogue)
Show SMILES CC[C@@H]1NC(=O)[C@H]([C@H](O)[C@H](C)C\C=C\C)N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](SC)N(C)C1=O)C(C)C
Show InChI InChI=1S/C63H113N11O12S/c1-26-28-29-40(15)51(75)50-55(79)66-43(27-2)57(81)74(24)63(87-25)62(86)69(19)45(31-35(5)6)54(78)67-48(38(11)12)60(84)68(18)44(30-34(3)4)53(77)64-41(16)52(76)65-42(17)56(80)70(20)46(32-36(7)8)58(82)71(21)47(33-37(9)10)59(83)72(22)49(39(13)14)61(85)73(50)23/h26,28,34-51,63,75H,27,29-33H2,1-25H3,(H,64,77)(H,65,76)(H,66,79)(H,67,78)/b28-26+/t40-,41+,42-,43+,44+,45+,46+,47+,48+,49+,50+,51-,63-/m1/s1
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Centre de Recherche de Paris

Curated by ChEMBL


Assay Description
Immunosuppressive activity was measured by inhibition of the IL-2 production in Jurkat cells.


Bioorg Med Chem Lett 13: 4415-9 (2003)


BindingDB Entry DOI: 10.7270/Q2183715
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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Centre de Recherche de Vitry-Alfortville

Curated by ChEMBL


Assay Description
Inhibition of [3H]-LTB4 binding to Leukotriene B4 receptor in the human polymorphonuclear leukocytes.


J Med Chem 35: 4315-24 (1992)


BindingDB Entry DOI: 10.7270/Q2QR4W2W
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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Centre de Recherche de Vitry-Alfortville

Curated by ChEMBL


Assay Description
Inhibition of [3H]-LTB4 binding to Leukotriene B4 receptor in the human polymorphonuclear leukocytes


J Med Chem 35: 4306-14 (1992)


BindingDB Entry DOI: 10.7270/Q2VH5MS6
More data for this
Ligand-Target Pair
Leukotriene B4 receptor 1


(Homo sapiens (Human))
BDBM50001661
PNG
(6-[4-(4-Methoxy-phenyl)-6-phenyl-pyridin-2-yloxy]-...)
Show SMILES COc1ccc(cc1)-c1cc(OCCCCC(C)C(O)=O)nc(c1)-c1ccccc1
Show InChI InChI=1S/C25H27NO4/c1-18(25(27)28)8-6-7-15-30-24-17-21(19-11-13-22(29-2)14-12-19)16-23(26-24)20-9-4-3-5-10-20/h3-5,9-14,16-18H,6-8,15H2,1-2H3,(H,27,28)
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Centre de Recherche de Vitry-Alfortville

Curated by ChEMBL


Assay Description
Inhibition of [3H]-LTB4 binding to Leukotriene B4 receptor in the guinea pig spleen membranes.


J Med Chem 35: 4315-24 (1992)


BindingDB Entry DOI: 10.7270/Q2QR4W2W
More data for this
Ligand-Target Pair
Leukotriene B4 receptor 1


(Homo sapiens (Human))
BDBM50001641
PNG
(6-(4,6-Diphenyl-pyridin-2-yloxy)-2-methyl-hexanoic...)
Show SMILES CC(CCCCOc1cc(cc(n1)-c1ccccc1)-c1ccccc1)C(O)=O
Show InChI InChI=1S/C24H25NO3/c1-18(24(26)27)10-8-9-15-28-23-17-21(19-11-4-2-5-12-19)16-22(25-23)20-13-6-3-7-14-20/h2-7,11-14,16-18H,8-10,15H2,1H3,(H,26,27)
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Centre de Recherche de Vitry-Alfortville

Curated by ChEMBL


Assay Description
Inhibition of [3H]-LTB4 binding to Leukotriene B4 receptor in the guinea pig spleen membranes.


J Med Chem 35: 4315-24 (1992)


BindingDB Entry DOI: 10.7270/Q2QR4W2W
More data for this
Ligand-Target Pair
Leukotriene B4 receptor 1


(Homo sapiens (Human))
BDBM50001645
PNG
(6-[6-(2-Fluoro-phenyl)-4-phenyl-pyridin-2-yloxy]-2...)
Show SMILES CC(CCCCOc1cc(cc(n1)-c1ccccc1F)-c1ccccc1)C(O)=O
Show InChI InChI=1S/C24H24FNO3/c1-17(24(27)28)9-7-8-14-29-23-16-19(18-10-3-2-4-11-18)15-22(26-23)20-12-5-6-13-21(20)25/h2-6,10-13,15-17H,7-9,14H2,1H3,(H,27,28)
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Centre de Recherche de Vitry-Alfortville

Curated by ChEMBL


Assay Description
Inhibition of [3H]-LTB4 binding to Leukotriene B4 receptor in the guinea pig spleen membranes.


J Med Chem 35: 4315-24 (1992)


BindingDB Entry DOI: 10.7270/Q2QR4W2W
More data for this
Ligand-Target Pair
Leukotriene B4 receptor 1


(Homo sapiens (Human))
BDBM50001647
PNG
(6-(4-Benzo[1,3]dioxol-5-yl-6-phenyl-pyridin-2-ylox...)
Show SMILES CC(CCCCOc1cc(cc(n1)-c1ccccc1)-c1ccc2OCOc2c1)C(O)=O
Show InChI InChI=1S/C25H25NO5/c1-17(25(27)28)7-5-6-12-29-24-15-20(13-21(26-24)18-8-3-2-4-9-18)19-10-11-22-23(14-19)31-16-30-22/h2-4,8-11,13-15,17H,5-7,12,16H2,1H3,(H,27,28)
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Centre de Recherche de Vitry-Alfortville

Curated by ChEMBL


Assay Description
Inhibition of LTB4-induced elastase release in human polymorphonuclear leukocytes


J Med Chem 35: 4315-24 (1992)


BindingDB Entry DOI: 10.7270/Q2QR4W2W
More data for this
Ligand-Target Pair
Leukotriene B4 receptor 1


(Homo sapiens (Human))
BDBM50001636
PNG
(6-[4-(3-Chloro-phenyl)-6-phenyl-pyridin-2-yloxy]-2...)
Show SMILES CC(CCCCOc1cc(cc(n1)-c1ccccc1)-c1cccc(Cl)c1)C(O)=O
Show InChI InChI=1S/C24H24ClNO3/c1-17(24(27)28)8-5-6-13-29-23-16-20(19-11-7-12-21(25)14-19)15-22(26-23)18-9-3-2-4-10-18/h2-4,7,9-12,14-17H,5-6,8,13H2,1H3,(H,27,28)
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Centre de Recherche de Vitry-Alfortville

Curated by ChEMBL


Assay Description
Inhibition of [3H]-LTB4 binding to Leukotriene B4 receptor in the guinea pig spleen membranes.


J Med Chem 35: 4315-24 (1992)


BindingDB Entry DOI: 10.7270/Q2QR4W2W
More data for this
Ligand-Target Pair
Leukotriene B4 receptor 1


(Homo sapiens (Human))
BDBM50001644
PNG
(6-(4,6-Diphenyl-pyridin-2-yloxy)-2,2-dimethyl-hexa...)
Show SMILES CC(C)(CCCCOc1cc(cc(n1)-c1ccccc1)-c1ccccc1)C(O)=O
Show InChI InChI=1S/C25H27NO3/c1-25(2,24(27)28)15-9-10-16-29-23-18-21(19-11-5-3-6-12-19)17-22(26-23)20-13-7-4-8-14-20/h3-8,11-14,17-18H,9-10,15-16H2,1-2H3,(H,27,28)
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n/an/a 5n/an/an/an/an/an/a



Centre de Recherche de Vitry-Alfortville

Curated by ChEMBL


Assay Description
Inhibition of [3H]-LTB4 binding to Leukotriene B4 receptor in the guinea pig spleen membranes.


J Med Chem 35: 4315-24 (1992)


BindingDB Entry DOI: 10.7270/Q2QR4W2W
More data for this
Ligand-Target Pair
Leukotriene B4 receptor 1


(Homo sapiens (Human))
BDBM50001653
PNG
(6-[4-(4-Methylamino-phenyl)-6-phenyl-pyridin-2-ylo...)
Show SMILES CNc1ccc(cc1)-c1cc(OCCCCCC(O)=O)nc(c1)-c1ccccc1
Show InChI InChI=1S/C24H26N2O3/c1-25-21-13-11-18(12-14-21)20-16-22(19-8-4-2-5-9-19)26-23(17-20)29-15-7-3-6-10-24(27)28/h2,4-5,8-9,11-14,16-17,25H,3,6-7,10,15H2,1H3,(H,27,28)
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n/an/a 5n/an/an/an/an/an/a



Centre de Recherche de Vitry-Alfortville

Curated by ChEMBL


Assay Description
Inhibition of [3H]-LTB4 binding to Leukotriene B4 receptor in the guinea pig spleen membranes.


J Med Chem 35: 4315-24 (1992)


BindingDB Entry DOI: 10.7270/Q2QR4W2W
More data for this
Ligand-Target Pair
Leukotriene B4 receptor 1


(Homo sapiens (Human))
BDBM50001664
PNG
(6-[4-(4-Chloro-phenyl)-6-phenyl-pyridin-2-yloxy]-2...)
Show SMILES CC(CCCCOc1cc(cc(n1)-c1ccccc1)-c1ccc(Cl)cc1)C(O)=O
Show InChI InChI=1S/C24H24ClNO3/c1-17(24(27)28)7-5-6-14-29-23-16-20(18-10-12-21(25)13-11-18)15-22(26-23)19-8-3-2-4-9-19/h2-4,8-13,15-17H,5-7,14H2,1H3,(H,27,28)
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n/an/a 5n/an/an/an/an/an/a



Centre de Recherche de Vitry-Alfortville

Curated by ChEMBL


Assay Description
Inhibition of [3H]-LTB4 binding to Leukotriene B4 receptor in the human polymorphonuclear leukocytes.


J Med Chem 35: 4315-24 (1992)


BindingDB Entry DOI: 10.7270/Q2QR4W2W
More data for this
Ligand-Target Pair
Leukotriene B4 receptor 1


(Homo sapiens (Human))
BDBM50001642
PNG
(6-[4-(4-Amino-phenyl)-6-phenyl-pyridin-2-yloxy]-2-...)
Show SMILES CC(CCCCOc1cc(cc(n1)-c1ccccc1)-c1ccc(N)cc1)C(O)=O
Show InChI InChI=1S/C24H26N2O3/c1-17(24(27)28)7-5-6-14-29-23-16-20(18-10-12-21(25)13-11-18)15-22(26-23)19-8-3-2-4-9-19/h2-4,8-13,15-17H,5-7,14,25H2,1H3,(H,27,28)
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n/an/a 5n/an/an/an/an/an/a



Centre de Recherche de Vitry-Alfortville

Curated by ChEMBL


Assay Description
Inhibition of [3H]-LTB4 binding to Leukotriene B4 receptor in the guinea pig spleen membranes.


J Med Chem 35: 4315-24 (1992)


BindingDB Entry DOI: 10.7270/Q2QR4W2W
More data for this
Ligand-Target Pair
Leukotriene B4 receptor 1


(Homo sapiens (Human))
BDBM50001668
PNG
(6-(4-Benzo[1,3]dioxol-5-yl-6-phenyl-pyridin-2-ylox...)
Show SMILES OC(=O)CCCCCOc1cc(cc(n1)-c1ccccc1)-c1ccc2OCOc2c1
Show InChI InChI=1S/C24H23NO5/c26-24(27)9-5-2-6-12-28-23-15-19(13-20(25-23)17-7-3-1-4-8-17)18-10-11-21-22(14-18)30-16-29-21/h1,3-4,7-8,10-11,13-15H,2,5-6,9,12,16H2,(H,26,27)
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n/an/a 6n/an/an/an/an/an/a



Centre de Recherche de Vitry-Alfortville

Curated by ChEMBL


Assay Description
Inhibition of [3H]-LTB4 binding to Leukotriene B4 receptor of human polymorphonuclear leukocytes


J Med Chem 35: 4315-24 (1992)


BindingDB Entry DOI: 10.7270/Q2QR4W2W
More data for this
Ligand-Target Pair
Leukotriene B4 receptor 1


(Homo sapiens (Human))
BDBM50001670
PNG
(6-[6-(2-Chloro-phenyl)-4-phenyl-pyridin-2-yloxy]-2...)
Show SMILES CC(CCCCOc1cc(cc(n1)-c1ccccc1Cl)-c1ccccc1)C(O)=O
Show InChI InChI=1S/C24H24ClNO3/c1-17(24(27)28)9-7-8-14-29-23-16-19(18-10-3-2-4-11-18)15-22(26-23)20-12-5-6-13-21(20)25/h2-6,10-13,15-17H,7-9,14H2,1H3,(H,27,28)
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n/an/a 6n/an/an/an/an/an/a



Centre de Recherche de Vitry-Alfortville

Curated by ChEMBL


Assay Description
Inhibition of [3H]-LTB4 binding to Leukotriene B4 receptor in the guinea pig spleen membranes.


J Med Chem 35: 4315-24 (1992)


BindingDB Entry DOI: 10.7270/Q2QR4W2W
More data for this
Ligand-Target Pair
Leukotriene B4 receptor 1


(Homo sapiens (Human))
BDBM50001652
PNG
(6-[4-(4-Amino-phenyl)-6-phenyl-pyridin-2-yloxy]-2,...)
Show SMILES CC(C)(CCCCOc1cc(cc(n1)-c1ccccc1)-c1ccc(N)cc1)C(O)=O
Show InChI InChI=1S/C25H28N2O3/c1-25(2,24(28)29)14-6-7-15-30-23-17-20(18-10-12-21(26)13-11-18)16-22(27-23)19-8-4-3-5-9-19/h3-5,8-13,16-17H,6-7,14-15,26H2,1-2H3,(H,28,29)
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n/an/a 6.60n/an/an/an/an/an/a



Centre de Recherche de Vitry-Alfortville

Curated by ChEMBL


Assay Description
Inhibition of [3H]-LTB4 binding to Leukotriene B4 receptor in the guinea pig spleen membranes.


J Med Chem 35: 4315-24 (1992)


BindingDB Entry DOI: 10.7270/Q2QR4W2W
More data for this
Ligand-Target Pair
Leukotriene B4 receptor 1


(Homo sapiens (Human))
BDBM50001647
PNG
(6-(4-Benzo[1,3]dioxol-5-yl-6-phenyl-pyridin-2-ylox...)
Show SMILES CC(CCCCOc1cc(cc(n1)-c1ccccc1)-c1ccc2OCOc2c1)C(O)=O
Show InChI InChI=1S/C25H25NO5/c1-17(25(27)28)7-5-6-12-29-24-15-20(13-21(26-24)18-8-3-2-4-9-18)19-10-11-22-23(14-19)31-16-30-22/h2-4,8-11,13-15,17H,5-7,12,16H2,1H3,(H,27,28)
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n/an/a 6.60n/an/an/an/an/an/a



Centre de Recherche de Vitry-Alfortville

Curated by ChEMBL


Assay Description
Inhibition of [3H]-LTB4 binding to Leukotriene B4 receptor in the human polymorphonuclear leukocytes.


J Med Chem 35: 4315-24 (1992)


BindingDB Entry DOI: 10.7270/Q2QR4W2W
More data for this
Ligand-Target Pair
Leukotriene B4 receptor 1


(Homo sapiens (Human))
BDBM50001637
PNG
(6-[4-(3-Methoxy-phenyl)-6-phenyl-pyridin-2-yloxy]-...)
Show SMILES COc1cccc(c1)-c1cc(OCCCCC(C)C(O)=O)nc(c1)-c1ccccc1
Show InChI InChI=1S/C25H27NO4/c1-18(25(27)28)9-6-7-14-30-24-17-21(20-12-8-13-22(15-20)29-2)16-23(26-24)19-10-4-3-5-11-19/h3-5,8,10-13,15-18H,6-7,9,14H2,1-2H3,(H,27,28)
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n/an/a 7n/an/an/an/an/an/a



Centre de Recherche de Vitry-Alfortville

Curated by ChEMBL


Assay Description
Inhibition of [3H]-LTB4 binding to Leukotriene B4 receptor in the guinea pig spleen membranes.


J Med Chem 35: 4315-24 (1992)


BindingDB Entry DOI: 10.7270/Q2QR4W2W
More data for this
Ligand-Target Pair
Leukotriene B4 receptor 1


(Homo sapiens (Human))
BDBM50001672
PNG
(2,4-Diphenyl-6-(5-tetrazol-1-yl-hexyloxy)-pyridine...)
Show SMILES CC(CCCCOc1cc(cc(n1)-c1ccccc1)-c1ccccc1)n1cnnn1
Show InChI InChI=1S/C24H25N5O/c1-19(29-18-25-27-28-29)10-8-9-15-30-24-17-22(20-11-4-2-5-12-20)16-23(26-24)21-13-6-3-7-14-21/h2-7,11-14,16-19H,8-10,15H2,1H3
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n/an/a 7n/an/an/an/an/an/a



Centre de Recherche de Vitry-Alfortville

Curated by ChEMBL


Assay Description
Inhibition of [3H]-LTB4 binding to Leukotriene B4 receptor in the guinea pig spleen membranes.


J Med Chem 35: 4315-24 (1992)


BindingDB Entry DOI: 10.7270/Q2QR4W2W
More data for this
Ligand-Target Pair
Leukotriene B4 receptor 1


(Homo sapiens (Human))
BDBM50001655
PNG
(6-(4-Benzo[1,3]dioxol-5-yl-6-phenyl-pyridin-2-ylox...)
Show SMILES CC(C)(CCCCOc1cc(cc(n1)-c1ccccc1)-c1ccc2OCOc2c1)C(O)=O
Show InChI InChI=1S/C26H27NO5/c1-26(2,25(28)29)12-6-7-13-30-24-16-20(14-21(27-24)18-8-4-3-5-9-18)19-10-11-22-23(15-19)32-17-31-22/h3-5,8-11,14-16H,6-7,12-13,17H2,1-2H3,(H,28,29)
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n/an/a 7n/an/an/an/an/an/a



Centre de Recherche de Vitry-Alfortville

Curated by ChEMBL


Assay Description
Inhibition of [3H]-LTB4 binding to Leukotriene B4 receptor in the human polymorphonuclear leukocytes.


J Med Chem 35: 4315-24 (1992)


BindingDB Entry DOI: 10.7270/Q2QR4W2W
More data for this
Ligand-Target Pair
Leukotriene B4 receptor 1


(Homo sapiens (Human))
BDBM50001672
PNG
(2,4-Diphenyl-6-(5-tetrazol-1-yl-hexyloxy)-pyridine...)
Show SMILES CC(CCCCOc1cc(cc(n1)-c1ccccc1)-c1ccccc1)n1cnnn1
Show InChI InChI=1S/C24H25N5O/c1-19(29-18-25-27-28-29)10-8-9-15-30-24-17-22(20-11-4-2-5-12-20)16-23(26-24)21-13-6-3-7-14-21/h2-7,11-14,16-19H,8-10,15H2,1H3
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n/an/a 8n/an/an/an/an/an/a



Centre de Recherche de Vitry-Alfortville

Curated by ChEMBL


Assay Description
Inhibition of LTB4-induced elastase release in human polymorphonuclear leukocytes


J Med Chem 35: 4315-24 (1992)


BindingDB Entry DOI: 10.7270/Q2QR4W2W
More data for this
Ligand-Target Pair
Leukotriene B4 receptor 1


(Homo sapiens (Human))
BDBM50001652
PNG
(6-[4-(4-Amino-phenyl)-6-phenyl-pyridin-2-yloxy]-2,...)
Show SMILES CC(C)(CCCCOc1cc(cc(n1)-c1ccccc1)-c1ccc(N)cc1)C(O)=O
Show InChI InChI=1S/C25H28N2O3/c1-25(2,24(28)29)14-6-7-15-30-23-17-20(18-10-12-21(26)13-11-18)16-22(27-23)19-8-4-3-5-9-19/h3-5,8-13,16-17H,6-7,14-15,26H2,1-2H3,(H,28,29)
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n/an/a 9.5n/an/an/an/an/an/a



Centre de Recherche de Vitry-Alfortville

Curated by ChEMBL


Assay Description
Inhibition of [3H]-LTB4 binding to Leukotriene B4 receptor in the guinea pig spleen membranes.


J Med Chem 35: 4315-24 (1992)


BindingDB Entry DOI: 10.7270/Q2QR4W2W
More data for this
Ligand-Target Pair
Leukotriene B4 receptor 1


(Homo sapiens (Human))
BDBM50001649
PNG
(2,4-Diphenyl-6-(5-tetrazol-1-yl-pentyloxy)-pyridin...)
Show SMILES C(CCOc1cc(cc(n1)-c1ccccc1)-c1ccccc1)CCn1cnnn1
Show InChI InChI=1S/C23H23N5O/c1-4-10-19(11-5-1)21-16-22(20-12-6-2-7-13-20)25-23(17-21)29-15-9-3-8-14-28-18-24-26-27-28/h1-2,4-7,10-13,16-18H,3,8-9,14-15H2
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n/an/a 10n/an/an/an/an/an/a



Centre de Recherche de Vitry-Alfortville

Curated by ChEMBL


Assay Description
Inhibition of [3H]-LTB4 binding to Leukotriene B4 receptor in the guinea pig spleen membranes.


J Med Chem 35: 4315-24 (1992)


BindingDB Entry DOI: 10.7270/Q2QR4W2W
More data for this
Ligand-Target Pair
Leukotriene B4 receptor 1


(Homo sapiens (Human))
BDBM50001622
PNG
(6-[4-(4-Methoxy-phenyl)-quinolin-2-yloxy]-2,2-dime...)
Show SMILES COc1ccc(cc1)-c1cc(OCCCCC(C)(C)C(O)=O)nc2ccccc12
Show InChI InChI=1S/C24H27NO4/c1-24(2,23(26)27)14-6-7-15-29-22-16-20(17-10-12-18(28-3)13-11-17)19-8-4-5-9-21(19)25-22/h4-5,8-13,16H,6-7,14-15H2,1-3H3,(H,26,27)
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n/an/a 10n/an/an/an/an/an/a



Centre de Recherche de Vitry-Alfortville

Curated by ChEMBL


Assay Description
Inhibition of [3H]-LTB4 binding to Leukotriene B4 receptor in the guinea pig spleen membranes


J Med Chem 35: 4306-14 (1992)


BindingDB Entry DOI: 10.7270/Q2VH5MS6
More data for this
Ligand-Target Pair
Leukotriene B4 receptor 1


(Homo sapiens (Human))
BDBM50001651
PNG
(6-[4-(2-Fluoro-phenyl)-6-phenyl-pyridin-2-yloxy]-h...)
Show SMILES OC(=O)CCCCCOc1cc(cc(n1)-c1ccccc1)-c1ccccc1F
Show InChI InChI=1S/C23H22FNO3/c24-20-12-7-6-11-19(20)18-15-21(17-9-3-1-4-10-17)25-22(16-18)28-14-8-2-5-13-23(26)27/h1,3-4,6-7,9-12,15-16H,2,5,8,13-14H2,(H,26,27)
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n/an/a 10n/an/an/an/an/an/a



Centre de Recherche de Vitry-Alfortville

Curated by ChEMBL


Assay Description
Inhibition of [3H]-LTB4 binding to Leukotriene B4 receptor in the guinea pig spleen membranes.


J Med Chem 35: 4315-24 (1992)


BindingDB Entry DOI: 10.7270/Q2QR4W2W
More data for this
Ligand-Target Pair
Leukotriene B4 receptor 1


(Homo sapiens (Human))
BDBM50001659
PNG
(6-[6-Phenyl-4-(4-trifluoromethyl-phenyl)-pyridin-2...)
Show SMILES OC(=O)CCCCCOc1cc(cc(n1)-c1ccccc1)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C24H22F3NO3/c25-24(26,27)20-12-10-17(11-13-20)19-15-21(18-7-3-1-4-8-18)28-22(16-19)31-14-6-2-5-9-23(29)30/h1,3-4,7-8,10-13,15-16H,2,5-6,9,14H2,(H,29,30)
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n/an/a 10n/an/an/an/an/an/a



Centre de Recherche de Vitry-Alfortville

Curated by ChEMBL


Assay Description
Inhibition of [3H]-LTB4 binding to Leukotriene B4 receptor in the guinea pig spleen membranes.


J Med Chem 35: 4315-24 (1992)


BindingDB Entry DOI: 10.7270/Q2QR4W2W
More data for this
Ligand-Target Pair
Leukotriene B4 receptor 1


(Homo sapiens (Human))
BDBM50001661
PNG
(6-[4-(4-Methoxy-phenyl)-6-phenyl-pyridin-2-yloxy]-...)
Show SMILES COc1ccc(cc1)-c1cc(OCCCCC(C)C(O)=O)nc(c1)-c1ccccc1
Show InChI InChI=1S/C25H27NO4/c1-18(25(27)28)8-6-7-15-30-24-17-21(19-11-13-22(29-2)14-12-19)16-23(26-24)20-9-4-3-5-10-20/h3-5,9-14,16-18H,6-8,15H2,1-2H3,(H,27,28)
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n/an/a 11n/an/an/an/an/an/a



Centre de Recherche de Vitry-Alfortville

Curated by ChEMBL


Assay Description
Inhibition of [3H]-LTB4 binding to Leukotriene B4 receptor in the human polymorphonuclear leukocytes.


J Med Chem 35: 4315-24 (1992)


BindingDB Entry DOI: 10.7270/Q2QR4W2W
More data for this
Ligand-Target Pair
Leukotriene B4 receptor 1


(Homo sapiens (Human))
BDBM50001657
PNG
(6-[4-Benzo[1,3]dioxol-5-yl-6-(2-chloro-phenyl)-pyr...)
Show SMILES CC(CCCCOc1cc(cc(n1)-c1ccccc1Cl)-c1ccc2OCOc2c1)C(O)=O
Show InChI InChI=1S/C25H24ClNO5/c1-16(25(28)29)6-4-5-11-30-24-14-18(17-9-10-22-23(13-17)32-15-31-22)12-21(27-24)19-7-2-3-8-20(19)26/h2-3,7-10,12-14,16H,4-6,11,15H2,1H3,(H,28,29)
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n/an/a 12n/an/an/an/an/an/a



Centre de Recherche de Vitry-Alfortville

Curated by ChEMBL


Assay Description
Inhibition of [3H]-LTB4 binding to Leukotriene B4 receptor in the human polymorphonuclear leukocytes.


J Med Chem 35: 4315-24 (1992)


BindingDB Entry DOI: 10.7270/Q2QR4W2W
More data for this
Ligand-Target Pair
Leukotriene B4 receptor 1


(Homo sapiens (Human))
BDBM50001657
PNG
(6-[4-Benzo[1,3]dioxol-5-yl-6-(2-chloro-phenyl)-pyr...)
Show SMILES CC(CCCCOc1cc(cc(n1)-c1ccccc1Cl)-c1ccc2OCOc2c1)C(O)=O
Show InChI InChI=1S/C25H24ClNO5/c1-16(25(28)29)6-4-5-11-30-24-14-18(17-9-10-22-23(13-17)32-15-31-22)12-21(27-24)19-7-2-3-8-20(19)26/h2-3,7-10,12-14,16H,4-6,11,15H2,1H3,(H,28,29)
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n/an/a 12n/an/an/an/an/an/a



Centre de Recherche de Vitry-Alfortville

Curated by ChEMBL


Assay Description
Inhibition of [3H]-LTB4 binding to Leukotriene B4 receptor in the guinea pig spleen membranes.


J Med Chem 35: 4315-24 (1992)


BindingDB Entry DOI: 10.7270/Q2QR4W2W
More data for this
Ligand-Target Pair
Leukotriene B4 receptor 1


(Homo sapiens (Human))
BDBM50001660
PNG
(2-Methyl-6-(6-phenyl-4-p-tolyl-pyridin-2-yloxy)-he...)
Show SMILES CC(CCCCOc1cc(cc(n1)-c1ccccc1)-c1ccc(C)cc1)C(O)=O
Show InChI InChI=1S/C25H27NO3/c1-18-11-13-20(14-12-18)22-16-23(21-9-4-3-5-10-21)26-24(17-22)29-15-7-6-8-19(2)25(27)28/h3-5,9-14,16-17,19H,6-8,15H2,1-2H3,(H,27,28)
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n/an/a 13n/an/an/an/an/an/a



Centre de Recherche de Vitry-Alfortville

Curated by ChEMBL


Assay Description
Inhibition of [3H]-LTB4 binding to Leukotriene B4 receptor in the guinea pig spleen membranes.


J Med Chem 35: 4315-24 (1992)


BindingDB Entry DOI: 10.7270/Q2QR4W2W
More data for this
Ligand-Target Pair
Leukotriene B4 receptor 1


(Homo sapiens (Human))
BDBM50001650
PNG
(7-(4,6-Diphenyl-pyridin-2-yloxy)-2,2-dimethyl-hept...)
Show SMILES CC(C)(CCCCCOc1cc(cc(n1)-c1ccccc1)-c1ccccc1)C(O)=O
Show InChI InChI=1S/C26H29NO3/c1-26(2,25(28)29)16-10-5-11-17-30-24-19-22(20-12-6-3-7-13-20)18-23(27-24)21-14-8-4-9-15-21/h3-4,6-9,12-15,18-19H,5,10-11,16-17H2,1-2H3,(H,28,29)
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n/an/a 15n/an/an/an/an/an/a



Centre de Recherche de Vitry-Alfortville

Curated by ChEMBL


Assay Description
Inhibition of [3H]-LTB4 binding to Leukotriene B4 receptor in the human polymorphonuclear leukocytes.


J Med Chem 35: 4315-24 (1992)


BindingDB Entry DOI: 10.7270/Q2QR4W2W
More data for this
Ligand-Target Pair
Leukotriene B4 receptor 1


(Homo sapiens (Human))
BDBM50001619
PNG
(6-[4-(4-Chloro-phenyl)-quinolin-2-yloxy]-2,2-dimet...)
Show SMILES CC(C)(CCCCOc1cc(-c2ccc(Cl)cc2)c2ccccc2n1)C(O)=O
Show InChI InChI=1S/C23H24ClNO3/c1-23(2,22(26)27)13-5-6-14-28-21-15-19(16-9-11-17(24)12-10-16)18-7-3-4-8-20(18)25-21/h3-4,7-12,15H,5-6,13-14H2,1-2H3,(H,26,27)
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n/an/a 15n/an/an/an/an/an/a



Centre de Recherche de Vitry-Alfortville

Curated by ChEMBL


Assay Description
Inhibition of [3H]-LTB4 binding to Leukotriene B4 receptor in the guinea pig spleen membranes


J Med Chem 35: 4306-14 (1992)


BindingDB Entry DOI: 10.7270/Q2VH5MS6
More data for this
Ligand-Target Pair
Leukotriene B4 receptor 1


(Homo sapiens (Human))
BDBM50001652
PNG
(6-[4-(4-Amino-phenyl)-6-phenyl-pyridin-2-yloxy]-2,...)
Show SMILES CC(C)(CCCCOc1cc(cc(n1)-c1ccccc1)-c1ccc(N)cc1)C(O)=O
Show InChI InChI=1S/C25H28N2O3/c1-25(2,24(28)29)14-6-7-15-30-23-17-20(18-10-12-21(26)13-11-18)16-22(27-23)19-8-4-3-5-9-19/h3-5,8-13,16-17H,6-7,14-15,26H2,1-2H3,(H,28,29)
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n/an/a 15n/an/an/an/an/an/a



Centre de Recherche de Vitry-Alfortville

Curated by ChEMBL


Assay Description
Inhibition of LTB4-induced elastase release in human polymorphonuclear leukocytes


J Med Chem 35: 4315-24 (1992)


BindingDB Entry DOI: 10.7270/Q2QR4W2W
More data for this
Ligand-Target Pair
Leukotriene B4 receptor 1


(Homo sapiens (Human))
BDBM50001642
PNG
(6-[4-(4-Amino-phenyl)-6-phenyl-pyridin-2-yloxy]-2-...)
Show SMILES CC(CCCCOc1cc(cc(n1)-c1ccccc1)-c1ccc(N)cc1)C(O)=O
Show InChI InChI=1S/C24H26N2O3/c1-17(24(27)28)7-5-6-14-29-23-16-20(18-10-12-21(25)13-11-18)15-22(26-23)19-8-3-2-4-9-19/h2-4,8-13,15-17H,5-7,14,25H2,1H3,(H,27,28)
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n/an/a 15n/an/an/an/an/an/a



Centre de Recherche de Vitry-Alfortville

Curated by ChEMBL


Assay Description
Inhibition of [3H]-LTB4 binding to Leukotriene B4 receptor in the guinea pig spleen membranes.


J Med Chem 35: 4315-24 (1992)


BindingDB Entry DOI: 10.7270/Q2QR4W2W
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase A


(Homo sapiens (Human))
BDBM50136484
PNG
(CHEMBL2407581 | Cyclosporin A analogue)
Show SMILES [H][C@@]1([C@H](O)[C@H](C)C\C=C\C)N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](SCCN(CC)CC)N(C)C(=O)[C@H](CC)NC1=O)C(C)C |r|
Show InChI InChI=1S/C68H124N12O12S/c1-27-31-32-45(17)56(81)55-60(85)71-48(28-2)62(87)79(26)68(93-34-33-80(29-3)30-4)67(92)74(21)50(36-40(7)8)59(84)72-53(43(13)14)65(90)73(20)49(35-39(5)6)58(83)69-46(18)57(82)70-47(19)61(86)75(22)51(37-41(9)10)63(88)76(23)52(38-42(11)12)64(89)77(24)54(44(15)16)66(91)78(55)25/h27,31,39-56,68,81H,28-30,32-38H2,1-26H3,(H,69,83)(H,70,82)(H,71,85)(H,72,84)/b31-27+/t45-,46+,47-,48+,49+,50+,51+,52+,53+,54+,55+,56-,68-/m1/s1
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n/an/a 15n/an/an/an/an/an/a



Centre de Recherche de Paris

Curated by ChEMBL


Assay Description
Immunosuppressive activity was measured by inhibition of the IL-2 production in Jurkat cells.


Bioorg Med Chem Lett 13: 4415-9 (2003)


BindingDB Entry DOI: 10.7270/Q2183715
More data for this
Ligand-Target Pair
Leukotriene B4 receptor 1


(Homo sapiens (Human))
BDBM50001669
PNG
(7-(4,6-Diphenyl-pyridin-2-yloxy)-heptanoic acid | ...)
Show SMILES OC(=O)CCCCCCOc1cc(cc(n1)-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C24H25NO3/c26-24(27)15-9-1-2-10-16-28-23-18-21(19-11-5-3-6-12-19)17-22(25-23)20-13-7-4-8-14-20/h3-8,11-14,17-18H,1-2,9-10,15-16H2,(H,26,27)
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n/an/a 15n/an/an/an/an/an/a



Centre de Recherche de Vitry-Alfortville

Curated by ChEMBL


Assay Description
Inhibition of LTB4-induced elastase release in human polymorphonuclear leukocytes


J Med Chem 35: 4315-24 (1992)


BindingDB Entry DOI: 10.7270/Q2QR4W2W
More data for this
Ligand-Target Pair
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)
BDBM50136484
PNG
(CHEMBL2407581 | Cyclosporin A analogue)
Show SMILES [H][C@@]1([C@H](O)[C@H](C)C\C=C\C)N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](SCCN(CC)CC)N(C)C(=O)[C@H](CC)NC1=O)C(C)C |r|
Show InChI InChI=1S/C68H124N12O12S/c1-27-31-32-45(17)56(81)55-60(85)71-48(28-2)62(87)79(26)68(93-34-33-80(29-3)30-4)67(92)74(21)50(36-40(7)8)59(84)72-53(43(13)14)65(90)73(20)49(35-39(5)6)58(83)69-46(18)57(82)70-47(19)61(86)75(22)51(37-41(9)10)63(88)76(23)52(38-42(11)12)64(89)77(24)54(44(15)16)66(91)78(55)25/h27,31,39-56,68,81H,28-30,32-38H2,1-26H3,(H,69,83)(H,70,82)(H,71,85)(H,72,84)/b31-27+/t45-,46+,47-,48+,49+,50+,51+,52+,53+,54+,55+,56-,68-/m1/s1
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n/an/a 15n/an/an/an/an/an/a



Centre de Recherche de Paris

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against HIV-1 RT in CEM4 cell line


Bioorg Med Chem Lett 13: 4415-9 (2003)


BindingDB Entry DOI: 10.7270/Q2183715
More data for this
Ligand-Target Pair
Leukotriene B4 receptor 1


(Homo sapiens (Human))
BDBM50001645
PNG
(6-[6-(2-Fluoro-phenyl)-4-phenyl-pyridin-2-yloxy]-2...)
Show SMILES CC(CCCCOc1cc(cc(n1)-c1ccccc1F)-c1ccccc1)C(O)=O
Show InChI InChI=1S/C24H24FNO3/c1-17(24(27)28)9-7-8-14-29-23-16-19(18-10-3-2-4-11-18)15-22(26-23)20-12-5-6-13-21(20)25/h2-6,10-13,15-17H,7-9,14H2,1H3,(H,27,28)
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n/an/a 18n/an/an/an/an/an/a



Centre de Recherche de Vitry-Alfortville

Curated by ChEMBL


Assay Description
Inhibition of [3H]-LTB4 binding to Leukotriene B4 receptor in the guinea pig spleen membranes.


J Med Chem 35: 4315-24 (1992)


BindingDB Entry DOI: 10.7270/Q2QR4W2W
More data for this
Ligand-Target Pair
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)
BDBM50136476
PNG
(CHEMBL3038089 | Cyclosporin A analogue)
Show SMILES CC[C@@H]1NC(=O)[C@H]([C@H](O)[C@H](C)C\C=C\C)N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](SCCO)N(C)C1=O)C(C)C
Show InChI InChI=1S/C64H115N11O13S/c1-25-27-28-41(15)52(77)51-56(81)67-44(26-2)58(83)75(24)64(89-30-29-76)63(88)70(19)46(32-36(5)6)55(80)68-49(39(11)12)61(86)69(18)45(31-35(3)4)54(79)65-42(16)53(78)66-43(17)57(82)71(20)47(33-37(7)8)59(84)72(21)48(34-38(9)10)60(85)73(22)50(40(13)14)62(87)74(51)23/h25,27,35-52,64,76-77H,26,28-34H2,1-24H3,(H,65,79)(H,66,78)(H,67,81)(H,68,80)/b27-25+/t41-,42+,43-,44+,45+,46+,47+,48+,49+,50+,51+,52-,64-/m1/s1
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n/an/a 19n/an/an/an/an/an/a



Centre de Recherche de Paris

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against HIV-1 RT in CEM4 cell line


Bioorg Med Chem Lett 13: 4415-9 (2003)


BindingDB Entry DOI: 10.7270/Q2183715
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase A


(Homo sapiens (Human))
BDBM50136476
PNG
(CHEMBL3038089 | Cyclosporin A analogue)
Show SMILES CC[C@@H]1NC(=O)[C@H]([C@H](O)[C@H](C)C\C=C\C)N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](SCCO)N(C)C1=O)C(C)C
Show InChI InChI=1S/C64H115N11O13S/c1-25-27-28-41(15)52(77)51-56(81)67-44(26-2)58(83)75(24)64(89-30-29-76)63(88)70(19)46(32-36(5)6)55(80)68-49(39(11)12)61(86)69(18)45(31-35(3)4)54(79)65-42(16)53(78)66-43(17)57(82)71(20)47(33-37(7)8)59(84)72(21)48(34-38(9)10)60(85)73(22)50(40(13)14)62(87)74(51)23/h25,27,35-52,64,76-77H,26,28-34H2,1-24H3,(H,65,79)(H,66,78)(H,67,81)(H,68,80)/b27-25+/t41-,42+,43-,44+,45+,46+,47+,48+,49+,50+,51+,52-,64-/m1/s1
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n/an/a 19n/an/an/an/an/an/a



Centre de Recherche de Paris

Curated by ChEMBL


Assay Description
Immunosuppressive activity was measured by inhibition of the IL-2 production in Jurkat cells.


Bioorg Med Chem Lett 13: 4415-9 (2003)


BindingDB Entry DOI: 10.7270/Q2183715
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase A


(Homo sapiens (Human))
BDBM50136479
PNG
(CHEMBL3038084 | Cyclosporin A analogue)
Show SMILES CC[C@@H]1NC(=O)[C@H]([C@H](O)[C@H](C)C\C=C\C)N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](SCCN(C)C(C)C)N(C)C1=O)C(C)C
Show InChI InChI=1S/C68H124N12O12S/c1-28-30-31-45(17)56(81)55-60(85)71-48(29-2)62(87)80(27)68(93-33-32-73(20)44(15)16)67(92)75(22)50(35-39(5)6)59(84)72-53(42(11)12)65(90)74(21)49(34-38(3)4)58(83)69-46(18)57(82)70-47(19)61(86)76(23)51(36-40(7)8)63(88)77(24)52(37-41(9)10)64(89)78(25)54(43(13)14)66(91)79(55)26/h28,30,38-56,68,81H,29,31-37H2,1-27H3,(H,69,83)(H,70,82)(H,71,85)(H,72,84)/b30-28+/t45-,46+,47-,48+,49+,50+,51+,52+,53+,54+,55+,56-,68-/m1/s1
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n/an/a 19.5n/an/an/an/an/an/a



Centre de Recherche de Paris

Curated by ChEMBL


Assay Description
Immunosuppressive activity was measured by inhibition of the IL-2 production in Jurkat cells.


Bioorg Med Chem Lett 13: 4415-9 (2003)


BindingDB Entry DOI: 10.7270/Q2183715
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase A


(Homo sapiens (Human))
BDBM50136472
PNG
(CHEMBL3038082 | [(40-OH) MeLeu]4-CsA derivatives)
Show SMILES CC[C@@H]1NC(=O)[C@H]([C@H](O)[C@H](C)C\C=C\C)N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)(C)O)N(C)C(=O)[C@@H](SCCN2CCCCC2)N(C)C1=O)C(C)C
Show InChI InChI=1S/C69H124N12O13S/c1-25-27-31-45(13)56(82)55-60(86)72-48(26-2)62(88)80(24)68(95-35-34-81-32-29-28-30-33-81)67(93)77(21)52(39-69(16,17)94)59(85)73-53(43(9)10)65(91)74(18)49(36-40(3)4)58(84)70-46(14)57(83)71-47(15)61(87)75(19)50(37-41(5)6)63(89)76(20)51(38-42(7)8)64(90)78(22)54(44(11)12)66(92)79(55)23/h25,27,40-56,68,82,94H,26,28-39H2,1-24H3,(H,70,84)(H,71,83)(H,72,86)(H,73,85)/b27-25+/t45-,46+,47-,48+,49+,50+,51+,52+,53+,54+,55+,56-,68-/m1/s1
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Centre de Recherche de Paris

Curated by ChEMBL


Assay Description
Immunosuppressive activity was measured by inhibition of the IL-2 production in Jurkat cells.


Bioorg Med Chem Lett 13: 4415-9 (2003)


BindingDB Entry DOI: 10.7270/Q2183715
More data for this
Ligand-Target Pair
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