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PubMed code 1324316

Compile data set for download or QSAR
Found 22 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
LTB4R


(HUMAN)
BDBM50001162
PNG
(2,2-Dimethyl-7-[3-(3-phenyl-propyl)-thiophen-2-yl]...)
Show SMILES CC(C)(CCCCCc1sccc1CCCc1ccccc1)C(O)=O
Show InChI InChI=1S/C22H30O2S/c1-22(2,21(23)24)16-8-4-7-14-20-19(15-17-25-20)13-9-12-18-10-5-3-6-11-18/h3,5-6,10-11,15,17H,4,7-9,12-14,16H2,1-2H3,(H,23,24)
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n/an/a 60n/an/an/an/an/an/a



Centre de Recherche de Vitry-Alfortville

Curated by ChEMBL


Assay Description
Capability to inhibit the binding of [3H]-LTB4 to guinea pig spleen Leukotriene B4 receptor at the concentration of 10e-5 M


Citation and Details
More data for this
Ligand-Target Pair
LTB4R


(HUMAN)
BDBM50001151
PNG
(2-Methyl-7-[3-(3-phenyl-propyl)-thiophen-2-yl]-hep...)
Show SMILES CC(CCCCCc1sccc1CCCc1ccccc1)C(O)=O
Show InChI InChI=1S/C21H28O2S/c1-17(21(22)23)9-4-2-7-14-20-19(15-16-24-20)13-8-12-18-10-5-3-6-11-18/h3,5-6,10-11,15-17H,2,4,7-9,12-14H2,1H3,(H,22,23)
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n/an/a 110n/an/an/an/an/an/a



Centre de Recherche de Vitry-Alfortville

Curated by ChEMBL


Assay Description
Capability to inhibit the binding of [3H]-LTB4 to guinea pig spleen Leukotriene B4 receptor at the concentration of 10e-5 M


Citation and Details
More data for this
Ligand-Target Pair
LTB4R


(HUMAN)
BDBM50001159
PNG
(2,2-Dimethyl-7-[5-methyl-3-(3-phenyl-propyl)-thiop...)
Show SMILES Cc1cc(CCCc2ccccc2)c(CCCCCC(C)(C)C(O)=O)s1
Show InChI InChI=1S/C23H32O2S/c1-18-17-20(14-10-13-19-11-6-4-7-12-19)21(26-18)15-8-5-9-16-23(2,3)22(24)25/h4,6-7,11-12,17H,5,8-10,13-16H2,1-3H3,(H,24,25)
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n/an/a 200n/an/an/an/an/an/a



Centre de Recherche de Vitry-Alfortville

Curated by ChEMBL


Assay Description
Capability of compound to inhibit the binding of [3H]-LTB4 to guinea pig spleen Leukotriene B4 receptor at the concentration of 10e-5 M


Citation and Details
More data for this
Ligand-Target Pair
LTB4R


(HUMAN)
BDBM50001152
PNG
(2-Methyl-7-[5-methyl-2-(3-phenyl-propyl)-thiophen-...)
Show SMILES CC(CCCCCc1cc(C)sc1CCCc1ccccc1)C(O)=O
Show InChI InChI=1S/C22H30O2S/c1-17(22(23)24)10-5-3-8-14-20-16-18(2)25-21(20)15-9-13-19-11-6-4-7-12-19/h4,6-7,11-12,16-17H,3,5,8-10,13-15H2,1-2H3,(H,23,24)
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n/an/a 300n/an/an/an/an/an/a



Centre de Recherche de Vitry-Alfortville

Curated by ChEMBL


Assay Description
Capability to inhibit the binding of [3H]-LTB4 to guinea pig spleen Leukotriene B4 receptor at the concentration of 10e-5 M


Citation and Details
More data for this
Ligand-Target Pair
LTB4R


(HUMAN)
BDBM50001161
PNG
(2-Methyl-7-[5-methyl-3-(3-phenyl-propyl)-thiophen-...)
Show SMILES CC(CCCCCc1sc(C)cc1CCCc1ccccc1)C(O)=O
Show InChI InChI=1S/C22H30O2S/c1-17(22(23)24)10-5-3-8-15-21-20(16-18(2)25-21)14-9-13-19-11-6-4-7-12-19/h4,6-7,11-12,16-17H,3,5,8-10,13-15H2,1-2H3,(H,23,24)
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n/an/a 300n/an/an/an/an/an/a



Centre de Recherche de Vitry-Alfortville

Curated by ChEMBL


Assay Description
Capability to inhibit the binding of [3H]-LTB4 to guinea pig spleen Leukotriene B4 receptor at the concentration of 10e-5 M


Citation and Details
More data for this
Ligand-Target Pair
LTB4R


(HUMAN)
BDBM50001166
PNG
(7-[5-Methyl-2-(3-phenyl-propyl)-thiophen-3-yl]-hep...)
Show SMILES Cc1cc(CCCCCCC(O)=O)c(CCCc2ccccc2)s1
Show InChI InChI=1S/C21H28O2S/c1-17-16-19(13-7-2-3-8-15-21(22)23)20(24-17)14-9-12-18-10-5-4-6-11-18/h4-6,10-11,16H,2-3,7-9,12-15H2,1H3,(H,22,23)
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Centre de Recherche de Vitry-Alfortville

Curated by ChEMBL


Assay Description
Capability to inhibit the binding of [3H]-LTB4 to guinea pig spleen Leukotriene B4 receptor at the concentration of 10e-5 M


Citation and Details
More data for this
Ligand-Target Pair
LTB4R


(HUMAN)
BDBM50001165
PNG
(2,2-Dimethyl-7-[5-phenyl-3-(3-phenyl-propyl)-thiop...)
Show SMILES CC(C)(CCCCCc1sc(cc1CCCc1ccccc1)-c1ccccc1)C(O)=O
Show InChI InChI=1S/C28H34O2S/c1-28(2,27(29)30)20-11-5-10-19-25-24(18-12-15-22-13-6-3-7-14-22)21-26(31-25)23-16-8-4-9-17-23/h3-4,6-9,13-14,16-17,21H,5,10-12,15,18-20H2,1-2H3,(H,29,30)
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n/an/a 800n/an/an/an/an/an/a



Centre de Recherche de Vitry-Alfortville

Curated by ChEMBL


Assay Description
Capability to inhibit the binding of [3H]-LTB4 to guinea pig spleen Leukotriene B4 receptor at the concentration of 10e-5 M


Citation and Details
More data for this
Ligand-Target Pair
LTB4R


(HUMAN)
BDBM50001153
PNG
(7-[3-(3-Phenyl-propyl)-thiophen-2-yl]-heptanoic ac...)
Show SMILES OC(=O)CCCCCCc1sccc1CCCc1ccccc1
Show InChI InChI=1S/C20H26O2S/c21-20(22)14-7-2-1-6-13-19-18(15-16-23-19)12-8-11-17-9-4-3-5-10-17/h3-5,9-10,15-16H,1-2,6-8,11-14H2,(H,21,22)
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n/an/a 1.00E+3n/an/an/an/an/an/a



Centre de Recherche de Vitry-Alfortville

Curated by ChEMBL


Assay Description
Capability to inhibit the binding of [3H]-LTB4 to guinea pig spleen Leukotriene B4 receptor at the concentration of 10e-5 M


Citation and Details
More data for this
Ligand-Target Pair
LTB4R


(HUMAN)
BDBM50001147
PNG
(7-[5-Phenyl-3-(3-phenyl-propyl)-thiophen-2-yl]-hep...)
Show SMILES OC(=O)CCCCCCc1sc(cc1CCCc1ccccc1)-c1ccccc1
Show InChI InChI=1S/C26H30O2S/c27-26(28)19-10-2-1-9-18-24-23(17-11-14-21-12-5-3-6-13-21)20-25(29-24)22-15-7-4-8-16-22/h3-8,12-13,15-16,20H,1-2,9-11,14,17-19H2,(H,27,28)
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n/an/a 1.00E+3n/an/an/an/an/an/a



Centre de Recherche de Vitry-Alfortville

Curated by ChEMBL


Assay Description
Capability to inhibit the binding of [3H]-LTB4 to guinea pig spleen Leukotriene B4 receptor at the concentration of 10e-5 M


Citation and Details
More data for this
Ligand-Target Pair
LTB4R


(HUMAN)
BDBM50001158
PNG
(7-{5-[3-(4-Chloro-phenyl)-propyl]-thiophen-3-yl}-h...)
Show SMILES OC(=O)CCCCCCc1csc(CCCc2ccc(Cl)cc2)c1
Show InChI InChI=1S/C20H25ClO2S/c21-18-12-10-16(11-13-18)7-5-8-19-14-17(15-24-19)6-3-1-2-4-9-20(22)23/h10-15H,1-9H2,(H,22,23)
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n/an/a 1.00E+3n/an/an/an/an/an/a



Centre de Recherche de Vitry-Alfortville

Curated by ChEMBL


Assay Description
Capability to inhibit the binding of [3H]-LTB4 to guinea pig spleen Leukotriene B4 receptor at the concentration of 10e-5 M


Citation and Details
More data for this
Ligand-Target Pair
LTB4R


(HUMAN)
BDBM50001160
PNG
(7-[2-(3-Phenyl-propyl)-thiophen-3-yl]-heptanoic ac...)
Show SMILES OC(=O)CCCCCCc1ccsc1CCCc1ccccc1
Show InChI InChI=1S/C20H26O2S/c21-20(22)14-7-2-1-6-12-18-15-16-23-19(18)13-8-11-17-9-4-3-5-10-17/h3-5,9-10,15-16H,1-2,6-8,11-14H2,(H,21,22)
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n/an/a 1.00E+3n/an/an/an/an/an/a



Centre de Recherche de Vitry-Alfortville

Curated by ChEMBL


Assay Description
Capability of compound to inhibit the binding of [3H]-LTB4 to guinea pig spleen Leukotriene B4 receptors at the concentration of 10e-5 M


Citation and Details
More data for this
Ligand-Target Pair
LTB4R


(HUMAN)
BDBM50001145
PNG
(7-{2-[3-(4-Chloro-phenyl)-propyl]-thiophen-3-yl}-h...)
Show SMILES OC(=O)CCCCCCc1ccsc1CCCc1ccc(Cl)cc1
Show InChI InChI=1S/C20H25ClO2S/c21-18-12-10-16(11-13-18)6-5-8-19-17(14-15-24-19)7-3-1-2-4-9-20(22)23/h10-15H,1-9H2,(H,22,23)
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n/an/a 1.00E+3n/an/an/an/an/an/a



Centre de Recherche de Vitry-Alfortville

Curated by ChEMBL


Assay Description
Capability to inhibit the binding of [3H]-LTB4 to guinea pig spleen Leukotriene B4 receptor at the concentration of 10e-5 M


Citation and Details
More data for this
Ligand-Target Pair
LTB4R


(HUMAN)
BDBM50001164
PNG
(2,2-Dimethyl-7-[5-phenyl-2-(3-phenyl-propyl)-thiop...)
Show SMILES CC(C)(CCCCCc1cc(sc1CCCc1ccccc1)-c1ccccc1)C(O)=O
Show InChI InChI=1S/C28H34O2S/c1-28(2,27(29)30)20-11-5-10-18-24-21-26(23-16-8-4-9-17-23)31-25(24)19-12-15-22-13-6-3-7-14-22/h3-4,6-9,13-14,16-17,21H,5,10-12,15,18-20H2,1-2H3,(H,29,30)
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n/an/a 1.20E+3n/an/an/an/an/an/a



Centre de Recherche de Vitry-Alfortville

Curated by ChEMBL


Assay Description
Capability to inhibit the binding of [3H]-LTB4 to guinea pig spleen Leukotriene B4 receptor at the concentration of 10e-5 M


Citation and Details
More data for this
Ligand-Target Pair
LTB4R


(HUMAN)
BDBM50001156
PNG
(7-[5-Methyl-3-(3-phenyl-propyl)-thiophen-2-yl]-hep...)
Show SMILES Cc1cc(CCCc2ccccc2)c(CCCCCCC(O)=O)s1
Show InChI InChI=1S/C21H28O2S/c1-17-16-19(13-9-12-18-10-5-4-6-11-18)20(24-17)14-7-2-3-8-15-21(22)23/h4-6,10-11,16H,2-3,7-9,12-15H2,1H3,(H,22,23)
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n/an/a 1.50E+3n/an/an/an/an/an/a



Centre de Recherche de Vitry-Alfortville

Curated by ChEMBL


Assay Description
Capability to inhibit the binding of [3H]-LTB4 to guinea pig spleen Leukotriene B4 receptor at the concentration of 10e-5 M


Citation and Details
More data for this
Ligand-Target Pair
LTB4R


(HUMAN)
BDBM50001154
PNG
(6-[5-Methyl-3-(3-phenyl-propyl)-thiophen-2-ylsulfa...)
Show SMILES Cc1cc(CCCc2ccccc2)c(SCCCCCC(O)=O)s1
Show InChI InChI=1S/C20H26O2S2/c1-16-15-18(12-8-11-17-9-4-2-5-10-17)20(24-16)23-14-7-3-6-13-19(21)22/h2,4-5,9-10,15H,3,6-8,11-14H2,1H3,(H,21,22)
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n/an/a 3.00E+3n/an/an/an/an/an/a



Centre de Recherche de Vitry-Alfortville

Curated by ChEMBL


Assay Description
Capability to inhibit the binding of [3H]-LTB4 to guinea pig spleen Leukotriene B4 receptor at the concentration of 10e-5 M


Citation and Details
More data for this
Ligand-Target Pair
LTB4R


(HUMAN)
BDBM50001155
PNG
(7-{2-[3-(4-Methoxy-phenyl)-propyl]-thiophen-3-yl}-...)
Show SMILES COc1ccc(CCCc2sccc2CCCCCCC(O)=O)cc1
Show InChI InChI=1S/C21H28O3S/c1-24-19-13-11-17(12-14-19)7-6-9-20-18(15-16-25-20)8-4-2-3-5-10-21(22)23/h11-16H,2-10H2,1H3,(H,22,23)
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n/an/a 3.00E+3n/an/an/an/an/an/a



Centre de Recherche de Vitry-Alfortville

Curated by ChEMBL


Assay Description
Capability to inhibit the binding of [3H]-LTB4 to guinea pig spleen Leukotriene B4 receptor at the concentration of 10e-5 M


Citation and Details
More data for this
Ligand-Target Pair
LTB4R


(HUMAN)
BDBM50001144
PNG
(5-[3-(3-Phenyl-propyl)-thiophen-2-yl]-pentanoic ac...)
Show SMILES OC(=O)CCCCc1sccc1CCCc1ccccc1
Show InChI InChI=1S/C18H22O2S/c19-18(20)12-5-4-11-17-16(13-14-21-17)10-6-9-15-7-2-1-3-8-15/h1-3,7-8,13-14H,4-6,9-12H2,(H,19,20)
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n/an/a 3.50E+3n/an/an/an/an/an/a



Centre de Recherche de Vitry-Alfortville

Curated by ChEMBL


Assay Description
Capability to inhibit the binding of [3H]-LTB4 to guinea pig spleen Leukotriene B4 receptor at the concentration of 10e-5 M


Citation and Details
More data for this
Ligand-Target Pair
LTB4R


(HUMAN)
BDBM50001146
PNG
(6-[3-(3-Phenyl-propyl)-thiophen-2-yl]-hexanoic aci...)
Show SMILES OC(=O)CCCCCc1sccc1CCCc1ccccc1
Show InChI InChI=1S/C19H24O2S/c20-19(21)13-6-2-5-12-18-17(14-15-22-18)11-7-10-16-8-3-1-4-9-16/h1,3-4,8-9,14-15H,2,5-7,10-13H2,(H,20,21)
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n/an/a 4.50E+3n/an/an/an/an/an/a



Centre de Recherche de Vitry-Alfortville

Curated by ChEMBL


Assay Description
Capability to inhibit the binding of [3H]-LTB4 to guinea pig spleen Leukotriene B4 receptor at the concentration of 10e-5 M


Citation and Details
More data for this
Ligand-Target Pair
LTB4R


(HUMAN)
BDBM50001167
PNG
(7-{5-[3-(4-Hydroxy-phenyl)-propyl]-thiophen-3-yl}-...)
Show SMILES OC(=O)CCCCCCc1csc(CCCc2ccc(O)cc2)c1
Show InChI InChI=1S/C20H26O3S/c21-18-12-10-16(11-13-18)7-5-8-19-14-17(15-24-19)6-3-1-2-4-9-20(22)23/h10-15,21H,1-9H2,(H,22,23)
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n/an/a 5.00E+3n/an/an/an/an/an/a



Centre de Recherche de Vitry-Alfortville

Curated by ChEMBL


Assay Description
Capability to inhibit the binding of [3H]-LTB4 to guinea pig spleen Leukotriene B4 receptor at the concentration of 10e-5 M


Citation and Details
More data for this
Ligand-Target Pair
LTB4R


(HUMAN)
BDBM50001150
PNG
(7-Hydroxy-7-[3-(3-phenyl-propyl)-thiophen-2-yl]-he...)
Show SMILES OC(CCCCCC(O)=O)c1sccc1CCCc1ccccc1
Show InChI InChI=1S/C20H26O3S/c21-18(12-5-2-6-13-19(22)23)20-17(14-15-24-20)11-7-10-16-8-3-1-4-9-16/h1,3-4,8-9,14-15,18,21H,2,5-7,10-13H2,(H,22,23)
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n/an/a 6.00E+3n/an/an/an/an/an/a



Centre de Recherche de Vitry-Alfortville

Curated by ChEMBL


Assay Description
Capability to inhibit the binding of [3H]-LTB4 to guinea pig spleen Leukotriene B4 receptor at the concentration of 10e-5 M


Citation and Details
More data for this
Ligand-Target Pair
LTB4R


(HUMAN)
BDBM50001149
PNG
(7-(5-Benzyl-thiophen-3-yl)-heptanoic acid | CHEMBL...)
Show SMILES OC(=O)CCCCCCc1csc(Cc2ccccc2)c1
Show InChI InChI=1S/C18H22O2S/c19-18(20)11-7-2-1-4-10-16-13-17(21-14-16)12-15-8-5-3-6-9-15/h3,5-6,8-9,13-14H,1-2,4,7,10-12H2,(H,19,20)
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n/an/a 1.00E+4n/an/an/an/an/an/a



Centre de Recherche de Vitry-Alfortville

Curated by ChEMBL


Assay Description
Capability to inhibit the binding of [3H]-LTB4 to guinea pig spleen Leukotriene B4 receptor at the concentration of 10e-5 M


Citation and Details
More data for this
Ligand-Target Pair
LTB4R


(HUMAN)
BDBM50001148
PNG
(7-(5-Phenethyl-thiophen-3-yl)-heptanoic acid | CHE...)
Show SMILES OC(=O)CCCCCCc1csc(CCc2ccccc2)c1
Show InChI InChI=1S/C19H24O2S/c20-19(21)11-7-2-1-4-10-17-14-18(22-15-17)13-12-16-8-5-3-6-9-16/h3,5-6,8-9,14-15H,1-2,4,7,10-13H2,(H,20,21)
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n/an/a 1.00E+4n/an/an/an/an/an/a



Centre de Recherche de Vitry-Alfortville

Curated by ChEMBL


Assay Description
Capability to inhibit the binding of [3H]-LTB4 to guinea pig spleen Leukotriene B4 receptor at the concentration of 10e-5 M


Citation and Details
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%