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Compile Data Set for Download or QSAR

Found 14 hits with Last Name = 'hullot' and Initial = 'p'   
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


(Homo sapiens (Human))
BDBM50087679
PNG
(2-[1-Hydroxy-3-((E)-3-hydroxy-7-phenyl-hept-1-enyl...)
Show SMILES CN(C)C(=O)CC1(O)CCCC(C1)\C=C\C(O)CCCCc1ccccc1
Show InChI InChI=1S/C23H35NO3/c1-24(2)22(26)18-23(27)16-8-12-20(17-23)14-15-21(25)13-7-6-11-19-9-4-3-5-10-19/h3-5,9-10,14-15,20-21,25,27H,6-8,11-13,16-18H2,1-2H3/b15-14+
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n/an/a 40n/an/an/an/an/an/a



UPRESA-CNRS 5074

Curated by ChEMBL


Assay Description
Compound was tested for inhibition against binding of radioligand [3H]-LTB4 to Leukotriene B4 receptor in human neutrophil membranes


Bioorg Med Chem Lett 10: 811-4 (2000)


BindingDB Entry DOI: 10.7270/Q2W37VHF
More data for this
Ligand-Target Pair
LTB4R


(Homo sapiens (Human))
BDBM50087682
PNG
(CHEMBL354872 | Sodium; [1-hydroxy-3-((E)-3-hydroxy...)
Show SMILES OC(CCCCc1ccccc1)\C=C\C1CCCC(O)(CC(O)=O)C1
Show InChI InChI=1S/C21H30O4/c22-19(11-5-4-9-17-7-2-1-3-8-17)13-12-18-10-6-14-21(25,15-18)16-20(23)24/h1-3,7-8,12-13,18-19,22,25H,4-6,9-11,14-16H2,(H,23,24)/b13-12+
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n/an/a 300n/an/an/an/an/an/a



UPRESA-CNRS 5074

Curated by ChEMBL


Assay Description
Compound was tested for inhibition against binding of radioligand [3H]-LTB4 to Leukotriene B4 receptor in human neutrophil membranes


Bioorg Med Chem Lett 10: 811-4 (2000)


BindingDB Entry DOI: 10.7270/Q2W37VHF
More data for this
Ligand-Target Pair
Leukotriene B4 receptor


(Homo sapiens (Human))
BDBM50084106
PNG
(CHEMBL77513 | Sodium; [(1S,3S)-1-hydroxy-3-((E)-3-...)
Show SMILES OC(CCCCc1ccccc1)\C=C\[C@H]1CCC[C@@](O)(CC([O-])=O)C1
Show InChI InChI=1S/C21H30O4/c22-19(11-5-4-9-17-7-2-1-3-8-17)13-12-18-10-6-14-21(25,15-18)16-20(23)24/h1-3,7-8,12-13,18-19,22,25H,4-6,9-11,14-16H2,(H,23,24)/p-1/b13-12+/t18-,19?,21+/m1/s1
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TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for inhibitory activity against LTB4 receptor in human neutrophil membranes using [3H]- LTB4 as radioligand


Bioorg Med Chem Lett 6: 2349-2354 (1996)


Article DOI: 10.1016/0960-894X(96)00424-6
BindingDB Entry DOI: 10.7270/Q23T9H7K
More data for this
Ligand-Target Pair
LTB4R


(Homo sapiens (Human))
BDBM50087680
PNG
(2-{3-[(E)-7-(4-Azido-phenyl)-3-hydroxy-hept-1-enyl...)
Show SMILES CN(C)C(=O)CC1(O)CCCC(C1)\C=C\C(O)CCCCc1ccc(cc1)N=[N+]=[N-]
Show InChI InChI=1S/C23H34N4O3/c1-27(2)22(29)17-23(30)15-5-7-19(16-23)11-14-21(28)8-4-3-6-18-9-12-20(13-10-18)25-26-24/h9-14,19,21,28,30H,3-8,15-17H2,1-2H3/b14-11+
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UPRESA-CNRS 5074

Curated by ChEMBL


Assay Description
Compound was tested for inhibition against binding of radioligand [3H]-LTB4 to Leukotriene B4 receptor in human neutrophil membranes


Bioorg Med Chem Lett 10: 811-4 (2000)


BindingDB Entry DOI: 10.7270/Q2W37VHF
More data for this
Ligand-Target Pair
Leukotriene B4 receptor


(Homo sapiens (Human))
BDBM50084106
PNG
(CHEMBL77513 | Sodium; [(1S,3S)-1-hydroxy-3-((E)-3-...)
Show SMILES OC(CCCCc1ccccc1)\C=C\[C@H]1CCC[C@@](O)(CC([O-])=O)C1
Show InChI InChI=1S/C21H30O4/c22-19(11-5-4-9-17-7-2-1-3-8-17)13-12-18-10-6-14-21(25,15-18)16-20(23)24/h1-3,7-8,12-13,18-19,22,25H,4-6,9-11,14-16H2,(H,23,24)/p-1/b13-12+/t18-,19?,21+/m1/s1
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TBA

Curated by ChEMBL




Bioorg Med Chem Lett 6: 2349-2354 (1996)


Article DOI: 10.1016/0960-894X(96)00424-6
BindingDB Entry DOI: 10.7270/Q23T9H7K
More data for this
Ligand-Target Pair
LTB4R


(Homo sapiens (Human))
BDBM50084101
PNG
(CHEMBL80541 | Sodium; [(1S,3S)-1-hydroxy-3-((E)-3-...)
Show SMILES CCCCCCCCC(O)\C=C\[C@H]1CCC[C@@](O)(CC([O-])=O)C1
Show InChI InChI=1S/C19H34O4/c1-2-3-4-5-6-7-10-17(20)12-11-16-9-8-13-19(23,14-16)15-18(21)22/h11-12,16-17,20,23H,2-10,13-15H2,1H3,(H,21,22)/p-1/b12-11+/t16-,17?,19+/m1/s1
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n/an/a 1.00E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for inhibitory activity against LTB4 receptor in human neutrophil membranes using [3H]- LTB4 as radioligand


Bioorg Med Chem Lett 6: 2349-2354 (1996)


Article DOI: 10.1016/0960-894X(96)00424-6
BindingDB Entry DOI: 10.7270/Q23T9H7K
More data for this
Ligand-Target Pair
LTB4R


(Homo sapiens (Human))
BDBM50087681
PNG
(CHEMBL164721 | Sodium; {3-[(E)-7-(4-azido-phenyl)-...)
Show SMILES OC(CCCCc1ccc(cc1)N=[N+]=[N-])\C=C\C1CCCC(O)(CC(O)=O)C1
Show InChI InChI=1S/C21H29N3O4/c22-24-23-18-10-7-16(8-11-18)4-1-2-6-19(25)12-9-17-5-3-13-21(28,14-17)15-20(26)27/h7-12,17,19,25,28H,1-6,13-15H2,(H,26,27)/b12-9+
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n/an/a 2.00E+3n/an/an/an/an/an/a



UPRESA-CNRS 5074

Curated by ChEMBL


Assay Description
Compound was tested for inhibition against binding of radioligand [3H]-LTB4 to Leukotriene B4 receptor in human neutrophil membranes


Bioorg Med Chem Lett 10: 811-4 (2000)


BindingDB Entry DOI: 10.7270/Q2W37VHF
More data for this
Ligand-Target Pair
Leukotriene B4 receptor


(Homo sapiens (Human))
BDBM50087680
PNG
(2-{3-[(E)-7-(4-Azido-phenyl)-3-hydroxy-hept-1-enyl...)
Show SMILES CN(C)C(=O)CC1(O)CCCC(C1)\C=C\C(O)CCCCc1ccc(cc1)N=[N+]=[N-]
Show InChI InChI=1S/C23H34N4O3/c1-27(2)22(29)17-23(30)15-5-7-19(16-23)11-14-21(28)8-4-3-6-18-9-12-20(13-10-18)25-26-24/h9-14,19,21,28,30H,3-8,15-17H2,1-2H3/b14-11+
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n/an/a 2.00E+3n/an/an/an/an/an/a



UPRESA-CNRS 5074

Curated by ChEMBL


Assay Description
Compound was tested for inhibition against binding of radioligand [3H]-LTB4 to Leukotriene B4 receptor in human neutrophil membranes


Bioorg Med Chem Lett 10: 811-4 (2000)


BindingDB Entry DOI: 10.7270/Q2W37VHF
More data for this
Ligand-Target Pair
Leukotriene B4 receptor


(Homo sapiens (Human))
BDBM50087677
PNG
(2-{3-[(E)-7-(4-Azido-3-iodo-phenyl)-3-hydroxy-hept...)
Show SMILES CN(C)C(=O)CC1(O)CCCC(C1)\C=C\C(O)CCCCc1ccc(N=[N+]=[N-])c(I)c1
Show InChI InChI=1S/C23H33IN4O3/c1-28(2)22(30)16-23(31)13-5-7-18(15-23)9-11-19(29)8-4-3-6-17-10-12-21(26-27-25)20(24)14-17/h9-12,14,18-19,29,31H,3-8,13,15-16H2,1-2H3/b11-9+
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n/an/a 6.00E+3n/an/an/an/an/an/a



UPRESA-CNRS 5074

Curated by ChEMBL


Assay Description
Compound was tested for inhibition against binding of radioligand [3H]-LTB4 to Leukotriene B4 receptor in human neutrophil membranes


Bioorg Med Chem Lett 10: 811-4 (2000)


BindingDB Entry DOI: 10.7270/Q2W37VHF
More data for this
Ligand-Target Pair
LTB4R


(Homo sapiens (Human))
BDBM50084103
PNG
(CHEMBL76530 | Sodium; [(1S,3S)-1-hydroxy-3-((E)-3-...)
Show SMILES CCCCCC(O)\C=C\[C@H]1CCC[C@@](O)(CC([O-])=O)C1
Show InChI InChI=1S/C16H28O4/c1-2-3-4-7-14(17)9-8-13-6-5-10-16(20,11-13)12-15(18)19/h8-9,13-14,17,20H,2-7,10-12H2,1H3,(H,18,19)/p-1/b9-8+/t13-,14?,16+/m1/s1
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n/an/a 8.00E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for inhibitory activity against LTB4 receptor in human neutrophil membranes using [3H]- LTB4 as radioligand


Bioorg Med Chem Lett 6: 2349-2354 (1996)


Article DOI: 10.1016/0960-894X(96)00424-6
BindingDB Entry DOI: 10.7270/Q23T9H7K
More data for this
Ligand-Target Pair
LTB4R


(Homo sapiens (Human))
BDBM50087677
PNG
(2-{3-[(E)-7-(4-Azido-3-iodo-phenyl)-3-hydroxy-hept...)
Show SMILES CN(C)C(=O)CC1(O)CCCC(C1)\C=C\C(O)CCCCc1ccc(N=[N+]=[N-])c(I)c1
Show InChI InChI=1S/C23H33IN4O3/c1-28(2)22(30)16-23(31)13-5-7-18(15-23)9-11-19(29)8-4-3-6-17-10-12-21(26-27-25)20(24)14-17/h9-12,14,18-19,29,31H,3-8,13,15-16H2,1-2H3/b11-9+
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n/an/a>1.00E+4n/an/an/an/an/an/a



UPRESA-CNRS 5074

Curated by ChEMBL


Assay Description
Compound was tested for inhibition against binding of radioligand [3H]-LTB4 to Leukotriene B4 receptor in human neutrophil membranes


Bioorg Med Chem Lett 10: 811-4 (2000)


BindingDB Entry DOI: 10.7270/Q2W37VHF
More data for this
Ligand-Target Pair
LTB4R


(Homo sapiens (Human))
BDBM50087678
PNG
(CHEMBL168507 | Sodium; {3-[(E)-7-(4-azido-3-iodo-p...)
Show SMILES OC(CCCCc1ccc(N=[N+]=[N-])c(I)c1)\C=C\C1CCCC(O)(CC(O)=O)C1
Show InChI InChI=1S/C21H28IN3O4/c22-18-12-15(8-10-19(18)24-25-23)4-1-2-6-17(26)9-7-16-5-3-11-21(29,13-16)14-20(27)28/h7-10,12,16-17,26,29H,1-6,11,13-14H2,(H,27,28)/b9-7+
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UPRESA-CNRS 5074

Curated by ChEMBL


Assay Description
Compound was tested for inhibition against binding of radioligand [3H]-LTB4 to Leukotriene B4 receptor in human neutrophil membranes


Bioorg Med Chem Lett 10: 811-4 (2000)


BindingDB Entry DOI: 10.7270/Q2W37VHF
More data for this
Ligand-Target Pair
LTB4R


(Homo sapiens (Human))
BDBM50084106
PNG
(CHEMBL77513 | Sodium; [(1S,3S)-1-hydroxy-3-((E)-3-...)
Show SMILES OC(CCCCc1ccccc1)\C=C\[C@H]1CCC[C@@](O)(CC([O-])=O)C1
Show InChI InChI=1S/C21H30O4/c22-19(11-5-4-9-17-7-2-1-3-8-17)13-12-18-10-6-14-21(25,15-18)16-20(23)24/h1-3,7-8,12-13,18-19,22,25H,4-6,9-11,14-16H2,(H,23,24)/p-1/b13-12+/t18-,19?,21+/m1/s1
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n/an/a 7.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for inhibitory activity against LTB4 receptor in human neutrophil membranes using [3H]- LTB4 as radioligand


Bioorg Med Chem Lett 6: 2349-2354 (1996)


Article DOI: 10.1016/0960-894X(96)00424-6
BindingDB Entry DOI: 10.7270/Q23T9H7K
More data for this
Ligand-Target Pair
LTB4R


(Homo sapiens (Human))
BDBM50287891
PNG
(CHEMBL305933 | Sodium; 4-[(1R,3S)-1-hydroxy-3-((E)...)
Show SMILES CCCCCC(O)\C=C\[C@H]1CCC[C@@](O)(CCCC([O-])=O)C1
Show InChI InChI=1S/C18H32O4/c1-2-3-4-8-16(19)11-10-15-7-5-12-18(22,14-15)13-6-9-17(20)21/h10-11,15-16,19,22H,2-9,12-14H2,1H3,(H,20,21)/p-1/b11-10+/t15-,16?,18-/m1/s1
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TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for inhibitory activity against LTB4 receptor in human neutrophil membranes using [3H]- LTB4 as radioligand


Bioorg Med Chem Lett 6: 2349-2354 (1996)


Article DOI: 10.1016/0960-894X(96)00424-6
BindingDB Entry DOI: 10.7270/Q23T9H7K
More data for this
Ligand-Target Pair