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Compile Data Set for Download or QSAR

Found 59 hits with Last Name = 'vidal' and Initial = 'jp'   
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
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM20462
PNG
((5Z,8Z,11Z,14Z)-N-[2-(3,4-dihydroxyphenyl)ethyl]ic...)
Show SMILES CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)NCCc1ccc(O)c(O)c1
Show InChI InChI=1S/C28H41NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-28(32)29-23-22-25-20-21-26(30)27(31)24-25/h6-7,9-10,12-13,15-16,20-21,24,30-31H,2-5,8,11,14,17-19,22-23H2,1H3,(H,29,32)/b7-6-,10-9-,13-12-,16-15-
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380n/an/an/an/an/an/an/an/a



Institute of Bioorganic Chemistry RAS

Curated by ChEMBL


Assay Description
Concentration required to displace 0.4 nM [3H]-SR-141,716A from CB1 receptor in rat brain preparations in the presence of 0.1 mM phenylmethyl sulphon...


Bioorg Med Chem Lett 11: 447-9 (2001)


BindingDB Entry DOI: 10.7270/Q2VT1RBM
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50096883
PNG
((5Z,8Z,11Z,14Z,17Z)-Icosa-5,8,11,14,17-pentaenoic ...)
Show SMILES CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)NCCc1ccc(O)c(O)c1
Show InChI InChI=1S/C28H39NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-28(32)29-23-22-25-20-21-26(30)27(31)24-25/h3-4,6-7,9-10,12-13,15-16,20-21,24,30-31H,2,5,8,11,14,17-19,22-23H2,1H3,(H,29,32)/b4-3-,7-6-,10-9-,13-12-,16-15-
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620n/an/an/an/an/an/an/an/a



Institute of Bioorganic Chemistry RAS

Curated by ChEMBL


Assay Description
Concentration required to displace 0.4 nM [3H]-SR-141,716A from CB1 receptor in rat brain preparations in the presence of 0.1 mM phenylmethyl sulphon...


Bioorg Med Chem Lett 11: 447-9 (2001)


BindingDB Entry DOI: 10.7270/Q2VT1RBM
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM22988
PNG
((5Z,8Z,11Z,14Z)-N-(2-hydroxyethyl)icosa-5,8,11,14-...)
Show SMILES CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)NCCO
Show InChI InChI=1S/C22H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(25)23-20-21-24/h6-7,9-10,12-13,15-16,24H,2-5,8,11,14,17-21H2,1H3,(H,23,25)/b7-6-,10-9-,13-12-,16-15-
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800n/an/an/an/an/an/an/an/a



Institute of Bioorganic Chemistry RAS

Curated by ChEMBL


Assay Description
Concentration required to displace 0.4 nM [3H]-SR-141,716A from CB1 receptor in rat brain preparations in the presence of 0.1 mM phenylmethyl sulphon...


Bioorg Med Chem Lett 11: 447-9 (2001)


BindingDB Entry DOI: 10.7270/Q2VT1RBM
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50096881
PNG
((10Z,13Z,16Z,19Z)-Docosa-7,10,13,16,19-pentaenoic ...)
Show SMILES CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCCC(=O)NCCc1ccc(O)c(O)c1
Show InChI InChI=1S/C30H43NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-30(34)31-25-24-27-22-23-28(32)29(33)26-27/h3-4,6-7,9-10,12-13,15-16,22-23,26,32-33H,2,5,8,11,14,17-21,24-25H2,1H3,(H,31,34)/b4-3-,7-6-,10-9-,13-12-,16-15-
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1.37E+3n/an/an/an/an/an/an/an/a



Institute of Bioorganic Chemistry RAS

Curated by ChEMBL


Assay Description
Concentration required to displace 0.4 nM [3H]-SR-141,716A from CB1 receptor in rat brain preparations in the presence of 0.1 mM phenylmethyl sulphon...


Bioorg Med Chem Lett 11: 447-9 (2001)


BindingDB Entry DOI: 10.7270/Q2VT1RBM
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50096882
PNG
((5Z,9Z,12Z)-Octadeca-5,9,12-trienoic acid [2-(3,4-...)
Show SMILES CCCCC\C=C/C\C=C/CC\C=C/CCCC(=O)NCCc1ccc(O)c(O)c1
Show InChI InChI=1S/C26H39NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-26(30)27-21-20-23-18-19-24(28)25(29)22-23/h6-7,9-10,13-14,18-19,22,28-29H,2-5,8,11-12,15-17,20-21H2,1H3,(H,27,30)/b7-6-,10-9-,14-13-
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1.72E+3n/an/an/an/an/an/an/an/a



Institute of Bioorganic Chemistry RAS

Curated by ChEMBL


Assay Description
Concentration required to displace 0.4 nM [3H]-SR-141,716A from CB1 receptor in rat brain preparations in the presence of 0.1 mM phenylmethyl sulphon...


Bioorg Med Chem Lett 11: 447-9 (2001)


BindingDB Entry DOI: 10.7270/Q2VT1RBM
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50096885
PNG
((6Z,9Z,12Z,15Z)-Octadeca-6,9,12,15-tetraenoic acid...)
Show SMILES CC\C=C/C\C=C/C\C=C/C\C=C/CCCCC(=O)NCCc1ccc(O)c(O)c1
Show InChI InChI=1S/C26H37NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-26(30)27-21-20-23-18-19-24(28)25(29)22-23/h3-4,6-7,9-10,12-13,18-19,22,28-29H,2,5,8,11,14-17,20-21H2,1H3,(H,27,30)/b4-3-,7-6-,10-9-,13-12-
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2.43E+3n/an/an/an/an/an/an/an/a



Institute of Bioorganic Chemistry RAS

Curated by ChEMBL


Assay Description
Concentration required to displace 0.4 nM [3H]-SR-141,716A from CB1 receptor in rat brain preparations in the presence of 0.1 mM phenylmethyl sulphon...


Bioorg Med Chem Lett 11: 447-9 (2001)


BindingDB Entry DOI: 10.7270/Q2VT1RBM
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50096884
PNG
((9Z,12Z,15Z)-Octadeca-9,12,15-trienoic acid [2-(3,...)
Show SMILES CC\C=C/C\C=C/C\C=C/CCCCCCCC(=O)NCCc1ccc(O)c(O)c1
Show InChI InChI=1S/C26H39NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-26(30)27-21-20-23-18-19-24(28)25(29)22-23/h3-4,6-7,9-10,18-19,22,28-29H,2,5,8,11-17,20-21H2,1H3,(H,27,30)/b4-3-,7-6-,10-9-
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3.13E+3n/an/an/an/an/an/an/an/a



Institute of Bioorganic Chemistry RAS

Curated by ChEMBL


Assay Description
Concentration required to displace 0.4 nM [3H]-SR-141,716A from CB1 receptor in rat brain preparations in the presence of 0.1 mM phenylmethyl sulphon...


Bioorg Med Chem Lett 11: 447-9 (2001)


BindingDB Entry DOI: 10.7270/Q2VT1RBM
More data for this
Ligand-Target Pair
Leukotriene B4 receptor 2


(Homo sapiens (Human))
BDBM50472434
PNG
(CHEMBL2112887)
Show SMILES CN(C)C(=O)C[C@]1(O)CCC[C@@H](C1)\C=C\[C@@H](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+/t20-,21+,23+/m1/s1
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n/an/a 40n/an/an/an/an/an/a



CNRS 5074

Curated by ChEMBL


Assay Description
Inhibition of binding of [3H]LTB4 (1 nM) to intact human polymorphonuclear leukocytes (PMNs)


J Med Chem 42: 5289-310 (1999)


Article DOI: 10.1021/jm9910573
BindingDB Entry DOI: 10.7270/Q25Q4ZT8
More data for this
Ligand-Target Pair
Leukotriene B4 receptor 1


(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
Leukotriene B4 receptor 2


(Homo sapiens (Human))
BDBM50472441
PNG
(CHEMBL153555)
Show SMILES CN(C)OC(=O)C[C@@]1(O)CCC[C@@H](C1)\C=C\C(O)CCCCc1ccccc1
Show InChI InChI=1S/C23H35NO4/c1-24(2)28-22(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+/t20-,21?,23-/m1/s1
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n/an/a 80n/an/an/an/an/an/a



CNRS 5074

Curated by ChEMBL


Assay Description
Inhibition of binding of [3H]LTB4 (1 nM) to intact human polymorphonuclear leukocytes (PMNs)


J Med Chem 42: 5289-310 (1999)


Article DOI: 10.1021/jm9910573
BindingDB Entry DOI: 10.7270/Q25Q4ZT8
More data for this
Ligand-Target Pair
Leukotriene B4 receptor 2


(Homo sapiens (Human))
BDBM50472436
PNG
(CHEMBL2112037)
Show SMILES [Na;v0+].[#8]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-c1ccccc1)\[#6]=[#6]\[#6@H]-1-[#6]-[#6]-[#6][C@]([#8])([#6]1)[#6](-[#8-])=O |r|
Show InChI InChI=1S/C20H28O4.Na/c21-18(11-5-4-9-16-7-2-1-3-8-16)13-12-17-10-6-14-20(24,15-17)19(22)23;/h1-3,7-8,12-13,17-18,21,24H,4-6,9-11,14-15H2,(H,22,23);/q;+1/p-1/b13-12+;/t17-,18+,20+;/m1./s1
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n/an/a 250n/an/an/an/an/an/a



CNRS 5074

Curated by ChEMBL


Assay Description
Inhibition of binding of [3H]LTB4 (1 nM) to intact human polymorphonuclear leukocytes (PMNs)


J Med Chem 42: 5289-310 (1999)


Article DOI: 10.1021/jm9910573
BindingDB Entry DOI: 10.7270/Q25Q4ZT8
More data for this
Ligand-Target Pair
Leukotriene B4 receptor 1


(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 2


(Homo sapiens (Human))
BDBM50472428
PNG
(CHEMBL345517)
Show SMILES [Na;v0+].[#8]-[#6](-[#6]-[#6]-[#6]-[#6]-c1ccccc1)\[#6]=[#6]\[#6@H]-1-[#6]-[#6]-[#6]\[#6](-[#6]1)=[#6]\[#6](-[#8-])=O |r|
Show InChI InChI=1S/C21H28O3.Na/c22-20(12-5-4-9-17-7-2-1-3-8-17)14-13-18-10-6-11-19(15-18)16-21(23)24;/h1-3,7-8,13-14,16,18,20,22H,4-6,9-12,15H2,(H,23,24);/q;+1/p-1/b14-13+,19-16-;/t18-,20?;/m1./s1
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n/an/a 500n/an/an/an/an/an/a



CNRS 5074

Curated by ChEMBL


Assay Description
Inhibition of binding of [3H]LTB4 (1 nM) to intact human polymorphonuclear leukocytes (PMNs)


J Med Chem 42: 5289-310 (1999)


Article DOI: 10.1021/jm9910573
BindingDB Entry DOI: 10.7270/Q25Q4ZT8
More data for this
Ligand-Target Pair
Leukotriene B4 receptor 1


(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 800n/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
Leukotriene B4 receptor 1


(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 800n/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
Leukotriene B4 receptor 2


(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 800n/an/an/an/an/an/a



CNRS 5074

Curated by ChEMBL


Assay Description
Inhibition of binding of [3H]LTB4 (1 nM) to intact human polymorphonuclear leukocytes (PMNs)


J Med Chem 42: 5289-310 (1999)


Article DOI: 10.1021/jm9910573
BindingDB Entry DOI: 10.7270/Q25Q4ZT8
More data for this
Ligand-Target Pair
Leukotriene B4 receptor 2


(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 900n/an/an/an/an/an/a



CNRS 5074

Curated by ChEMBL


Assay Description
Inhibition of binding of [3H]LTB4 (1 nM) to intact human polymorphonuclear leukocytes (PMNs)


J Med Chem 42: 5289-310 (1999)


Article DOI: 10.1021/jm9910573
BindingDB Entry DOI: 10.7270/Q25Q4ZT8
More data for this
Ligand-Target Pair
Leukotriene B4 receptor 1


(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
Leukotriene B4 receptor 2


(Homo sapiens (Human))
BDBM50472424
PNG
(CHEMBL151989)
Show SMILES CN(C)OC(=O)\C=C1\CCC[C@H](C1)\C=C\C(O)CCCCc1ccccc1
Show InChI InChI=1S/C23H33NO3/c1-24(2)27-23(26)18-21-13-8-12-20(17-21)15-16-22(25)14-7-6-11-19-9-4-3-5-10-19/h3-5,9-10,15-16,18,20,22,25H,6-8,11-14,17H2,1-2H3/b16-15+,21-18-/t20-,22?/m0/s1
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n/an/a 1.00E+3n/an/an/an/an/an/a



CNRS 5074

Curated by ChEMBL


Assay Description
Inhibition of binding of [3H]LTB4 (1 nM) to intact human polymorphonuclear leukocytes (PMNs)


J Med Chem 42: 5289-310 (1999)


Article DOI: 10.1021/jm9910573
BindingDB Entry DOI: 10.7270/Q25Q4ZT8
More data for this
Ligand-Target Pair
Leukotriene B4 receptor 2


(Homo sapiens (Human))
BDBM50472433
PNG
(CHEMBL151371)
Show SMILES [Na;v0+].[#8]-[#6](-[#6]-[#6]-[#6]-[#6]-c1ccccc1)\[#6]=[#6]/[#6@H]-1-[#6]-[#6]-[#6]\[#6](-[#6]1)=[#6]/[#6](-[#8-])=O |r|
Show InChI InChI=1S/C21H28O3.Na/c22-20(12-5-4-9-17-7-2-1-3-8-17)14-13-18-10-6-11-19(15-18)16-21(23)24;/h1-3,7-8,13-14,16,18,20,22H,4-6,9-12,15H2,(H,23,24);/q;+1/p-1/b14-13-,19-16+;/t18-,20?;/m1./s1
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n/an/a 1.30E+3n/an/an/an/an/an/a



CNRS 5074

Curated by ChEMBL


Assay Description
Inhibition of binding of [3H]LTB4 (1 nM) to intact human polymorphonuclear leukocytes (PMNs)


J Med Chem 42: 5289-310 (1999)


Article DOI: 10.1021/jm9910573
BindingDB Entry DOI: 10.7270/Q25Q4ZT8
More data for this
Ligand-Target Pair
Leukotriene B4 receptor 2


(Homo sapiens (Human))
BDBM50472432
PNG
(CHEMBL358980)
Show SMILES [Na;v0+].[#8]-[#6](-[#6]-[#6]-[#6]-[#6]-c1ccccc1)\[#6]=[#6]\[#6@H]-1-[#6]-[#6]-[#6][C@]([#8])([#6]-[#6](-[#8-])=O)[#6]1 |r|
Show InChI InChI=1S/C21H30O4.Na/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);/q;+1/p-1/b13-12+;/t18-,19?,21-;/m1./s1
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n/an/a 1.50E+3n/an/an/an/an/an/a



CNRS 5074

Curated by ChEMBL


Assay Description
Inhibition of binding of [3H]LTB4 (1 nM) to intact human polymorphonuclear leukocytes (PMNs)


J Med Chem 42: 5289-310 (1999)


Article DOI: 10.1021/jm9910573
BindingDB Entry DOI: 10.7270/Q25Q4ZT8
More data for this
Ligand-Target Pair
Leukotriene B4 receptor 1


(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 1


(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 1


(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
Integrin alpha-5/beta-1


(Homo sapiens (Human))
BDBM50241180
PNG
((6S,12S,15S)-1,6-diamino-12-(carboxymethyl)-16-hyd...)
Show SMILES [#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#8])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#8])-[#6](-[#8])=O |r|
Show InChI InChI=1S/C15H27N7O8/c16-7(2-1-3-19-15(17)18)12(27)20-5-10(24)21-8(4-11(25)26)13(28)22-9(6-23)14(29)30/h7-9,23H,1-6,16H2,(H,20,27)(H,21,24)(H,22,28)(H,25,26)(H,29,30)(H4,17,18,19)/t7-,8-,9-/m0/s1
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n/an/a 2.20E+3n/an/an/an/an/an/a



Université Montpellier I

Curated by ChEMBL


Assay Description
Inhibition of fibronectin (GST-3Fn8-11) binding to recombinant soluble mini integrin alpha5-beta1


Bioorg Med Chem Lett 13: 1561-4 (2003)


BindingDB Entry DOI: 10.7270/Q2BR8RK2
More data for this
Ligand-Target Pair
Leukotriene B4 receptor 2


(Homo sapiens (Human))
BDBM50472429
PNG
(CHEMBL342297)
Show SMILES [Na;v0+].[H][C@@]1([#6]-[#6](-[#8-])=O)[#6]-[#6]-[#6]-[#6@H](-[#6]-[#6]-[#6](-[#8])-[#6]-[#6]-[#6]-[#6]-c2ccccc2)-[#6]1 |r|
Show InChI InChI=1S/C21H32O3.Na/c22-20(12-5-4-9-17-7-2-1-3-8-17)14-13-18-10-6-11-19(15-18)16-21(23)24;/h1-3,7-8,18-20,22H,4-6,9-16H2,(H,23,24);/q;+1/p-1/t18-,19-,20?;/m1./s1
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n/an/a 2.60E+3n/an/an/an/an/an/a



CNRS 5074

Curated by ChEMBL


Assay Description
Inhibition of binding of [3H]LTB4 (1 nM) to intact human polymorphonuclear leukocytes (PMNs)


J Med Chem 42: 5289-310 (1999)


Article DOI: 10.1021/jm9910573
BindingDB Entry DOI: 10.7270/Q25Q4ZT8
More data for this
Ligand-Target Pair
Leukotriene B4 receptor 2


(Homo sapiens (Human))
BDBM50472426
PNG
(CHEMBL150746)
Show SMILES [Na;v0+].[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6](-[#8])\[#6]=[#6]\[#6@H]-1-[#6]-[#6]-[#6][C@]([#8])([#6]-[#6](-[#8-])=O)[#6]1 |r|
Show InChI InChI=1S/C19H34O4.Na/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);/q;+1/p-1/b12-11+;/t16-,17?,19-;/m1./s1
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n/an/a 4.00E+3n/an/an/an/an/an/a



CNRS 5074

Curated by ChEMBL


Assay Description
Inhibition of binding of [3H]LTB4 (1 nM) to intact human polymorphonuclear leukocytes (PMNs)


J Med Chem 42: 5289-310 (1999)


Article DOI: 10.1021/jm9910573
BindingDB Entry DOI: 10.7270/Q25Q4ZT8
More data for this
Ligand-Target Pair
Leukotriene B4 receptor 2


(Homo sapiens (Human))
BDBM50472426
PNG
(CHEMBL150746)
Show SMILES [Na;v0+].[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6](-[#8])\[#6]=[#6]\[#6@H]-1-[#6]-[#6]-[#6][C@]([#8])([#6]-[#6](-[#8-])=O)[#6]1 |r|
Show InChI InChI=1S/C19H34O4.Na/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);/q;+1/p-1/b12-11+;/t16-,17?,19-;/m1./s1
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n/an/a 4.00E+3n/an/an/an/an/an/a



CNRS 5074

Curated by ChEMBL


Assay Description
Inhibition of binding of [3H]LTB4 (1 nM) to intact human polymorphonuclear leukocytes (PMNs)


J Med Chem 42: 5289-310 (1999)


Article DOI: 10.1021/jm9910573
BindingDB Entry DOI: 10.7270/Q25Q4ZT8
More data for this
Ligand-Target Pair
Leukotriene B4 receptor 2


(Homo sapiens (Human))
BDBM50472440
PNG
(CHEMBL433542)
Show SMILES [Na;v0+].[#8]-[#6](-[#6]-[#6]-[#6]-[#6]-c1ccccc1)-[#6]-[#6]-[#6@H]-1-[#6]-[#6]-[#6][C@@]([#8])([#6]-[#6](-[#8-])=O)[#6]-1 |r|
Show InChI InChI=1S/C21H32O4.Na/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;/h1-3,7-8,18-19,22,25H,4-6,9-16H2,(H,23,24);/q;+1/p-1/t18-,19?,21+;/m1./s1
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n/an/a 5.30E+3n/an/an/an/an/an/a



CNRS 5074

Curated by ChEMBL


Assay Description
Inhibition of binding of [3H]LTB4 (1 nM) to intact human polymorphonuclear leukocytes (PMNs)


J Med Chem 42: 5289-310 (1999)


Article DOI: 10.1021/jm9910573
BindingDB Entry DOI: 10.7270/Q25Q4ZT8
More data for this
Ligand-Target Pair
Leukotriene B4 receptor 1


(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
Leukotriene B4 receptor 2


(Homo sapiens (Human))
BDBM50472423
PNG
(CHEMBL150744)
Show SMILES CN(C)C(=O)C[C@]1(O)CCC[C@@H](C1)\C=C\C(F)CCCCc1ccccc1
Show InChI InChI=1S/C23H34FNO2/c1-25(2)22(26)18-23(27)16-8-12-20(17-23)14-15-21(24)13-7-6-11-19-9-4-3-5-10-19/h3-5,9-10,14-15,20-21,27H,6-8,11-13,16-18H2,1-2H3/b15-14+/t20-,21?,23+/m1/s1
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n/an/a 6.50E+3n/an/an/an/an/an/a



CNRS 5074

Curated by ChEMBL


Assay Description
Inhibition of binding of [3H]LTB4 (1 nM) to intact human polymorphonuclear leukocytes (PMNs)


J Med Chem 42: 5289-310 (1999)


Article DOI: 10.1021/jm9910573
BindingDB Entry DOI: 10.7270/Q25Q4ZT8
More data for this
Ligand-Target Pair
Leukotriene B4 receptor 1/2


(Homo sapiens (Human))
BDBM50472423
PNG
(CHEMBL150744)
Show SMILES CN(C)C(=O)C[C@]1(O)CCC[C@@H](C1)\C=C\C(F)CCCCc1ccccc1
Show InChI InChI=1S/C23H34FNO2/c1-25(2)22(26)18-23(27)16-8-12-20(17-23)14-15-21(24)13-7-6-11-19-9-4-3-5-10-19/h3-5,9-10,14-15,20-21,27H,6-8,11-13,16-18H2,1-2H3/b15-14+/t20-,21?,23+/m1/s1
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n/an/a 6.50E+3n/an/an/an/an/an/a



CNRS 5074

Curated by ChEMBL


Assay Description
Inhibition of binding of [3H]LTB4 (1 nM) to intact human polymorphonuclear leukocytes (PMNs)


J Med Chem 42: 5289-310 (1999)


Article DOI: 10.1021/jm9910573
BindingDB Entry DOI: 10.7270/Q25Q4ZT8
More data for this
Ligand-Target Pair
Leukotriene B4 receptor 2


(Homo sapiens (Human))
BDBM50472425
PNG
(CHEMBL149002)
Show SMILES CN(C)C(=O)C[C@]1(O)CCC[C@@H](C1)\C=C\C(C)(O)CCCCc1ccccc1
Show InChI InChI=1S/C24H37NO3/c1-23(27,15-8-7-12-20-10-5-4-6-11-20)17-14-21-13-9-16-24(28,18-21)19-22(26)25(2)3/h4-6,10-11,14,17,21,27-28H,7-9,12-13,15-16,18-19H2,1-3H3/b17-14+/t21-,23?,24+/m1/s1
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n/an/a 7.00E+3n/an/an/an/an/an/a



CNRS 5074

Curated by ChEMBL


Assay Description
Inhibition of binding of [3H]LTB4 (1 nM) to intact human polymorphonuclear leukocytes (PMNs)


J Med Chem 42: 5289-310 (1999)


Article DOI: 10.1021/jm9910573
BindingDB Entry DOI: 10.7270/Q25Q4ZT8
More data for this
Ligand-Target Pair
Leukotriene B4 receptor 2


(Homo sapiens (Human))
BDBM50472431
PNG
(CHEMBL264039)
Show SMILES CN(C)OC(=O)\C=C1\CCC[C@@H](C1)\C=C\C(O)CCCCc1ccccc1
Show InChI InChI=1S/C23H33NO3/c1-24(2)27-23(26)18-21-13-8-12-20(17-21)15-16-22(25)14-7-6-11-19-9-4-3-5-10-19/h3-5,9-10,15-16,18,20,22,25H,6-8,11-14,17H2,1-2H3/b16-15+,21-18-/t20-,22?/m1/s1
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n/an/a 7.00E+3n/an/an/an/an/an/a



CNRS 5074

Curated by ChEMBL


Assay Description
Inhibition of binding of [3H]LTB4 (1 nM) to intact human polymorphonuclear leukocytes (PMNs)


J Med Chem 42: 5289-310 (1999)


Article DOI: 10.1021/jm9910573
BindingDB Entry DOI: 10.7270/Q25Q4ZT8
More data for this
Ligand-Target Pair
Leukotriene B4 receptor 2


(Homo sapiens (Human))
BDBM50472425
PNG
(CHEMBL149002)
Show SMILES CN(C)C(=O)C[C@]1(O)CCC[C@@H](C1)\C=C\C(C)(O)CCCCc1ccccc1
Show InChI InChI=1S/C24H37NO3/c1-23(27,15-8-7-12-20-10-5-4-6-11-20)17-14-21-13-9-16-24(28,18-21)19-22(26)25(2)3/h4-6,10-11,14,17,21,27-28H,7-9,12-13,15-16,18-19H2,1-3H3/b17-14+/t21-,23?,24+/m1/s1
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n/an/a 7.00E+3n/an/an/an/an/an/a



CNRS 5074

Curated by ChEMBL


Assay Description
Inhibition of binding of [3H]LTB4 (1 nM) to intact human polymorphonuclear leukocytes (PMNs)


J Med Chem 42: 5289-310 (1999)


Article DOI: 10.1021/jm9910573
BindingDB Entry DOI: 10.7270/Q25Q4ZT8
More data for this
Ligand-Target Pair
Leukotriene B4 receptor 1


(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
Leukotriene B4 receptor 2


(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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CNRS 5074

Curated by ChEMBL


Assay Description
Inhibition of binding of [3H]LTB4 (1 nM) to intact human polymorphonuclear leukocytes (PMNs)


J Med Chem 42: 5289-310 (1999)


Article DOI: 10.1021/jm9910573
BindingDB Entry DOI: 10.7270/Q25Q4ZT8
More data for this
Ligand-Target Pair
Leukotriene B4 receptor 2


(Homo sapiens (Human))
BDBM50472437
PNG
(CHEMBL344518)
Show SMILES CN(C)OC(=O)C[C@]1(O)CCC[C@@H](C1)\C=C\C(O)CCCCc1ccccc1
Show InChI InChI=1S/C23H35NO4/c1-24(2)28-22(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+/t20-,21?,23+/m1/s1
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CNRS 5074

Curated by ChEMBL


Assay Description
Inhibition of binding of [3H]LTB4 (1 nM) to intact human polymorphonuclear leukocytes (PMNs)


J Med Chem 42: 5289-310 (1999)


Article DOI: 10.1021/jm9910573
BindingDB Entry DOI: 10.7270/Q25Q4ZT8
More data for this
Ligand-Target Pair
Leukotriene B4 receptor 2


(Homo sapiens (Human))
BDBM50472436
PNG
(CHEMBL2112037)
Show SMILES [Na;v0+].[#8]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-c1ccccc1)\[#6]=[#6]\[#6@H]-1-[#6]-[#6]-[#6][C@]([#8])([#6]1)[#6](-[#8-])=O |r|
Show InChI InChI=1S/C20H28O4.Na/c21-18(11-5-4-9-16-7-2-1-3-8-16)13-12-17-10-6-14-20(24,15-17)19(22)23;/h1-3,7-8,12-13,17-18,21,24H,4-6,9-11,14-15H2,(H,22,23);/q;+1/p-1/b13-12+;/t17-,18+,20+;/m1./s1
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CNRS 5074

Curated by ChEMBL


Assay Description
Inhibition of binding of [3H]LTB4 (1 nM) to intact human polymorphonuclear leukocytes (PMNs)


J Med Chem 42: 5289-310 (1999)


Article DOI: 10.1021/jm9910573
BindingDB Entry DOI: 10.7270/Q25Q4ZT8
More data for this
Ligand-Target Pair
Leukotriene B4 receptor 2


(Homo sapiens (Human))
BDBM50472435
PNG
(CHEMBL2112036)
Show SMILES CN(C)C(=O)C[C@]1(O)CCC[C@@H](C1)\C=C\[C@H](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+/t20-,21-,23+/m1/s1
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CNRS 5074

Curated by ChEMBL


Assay Description
Inhibition of binding of [3H]LTB4 (1 nM) to intact human polymorphonuclear leukocytes (PMNs)


J Med Chem 42: 5289-310 (1999)


Article DOI: 10.1021/jm9910573
BindingDB Entry DOI: 10.7270/Q25Q4ZT8
More data for this
Ligand-Target Pair
Leukotriene B4 receptor 2


(Homo sapiens (Human))
BDBM50472428
PNG
(CHEMBL345517)
Show SMILES [Na;v0+].[#8]-[#6](-[#6]-[#6]-[#6]-[#6]-c1ccccc1)\[#6]=[#6]\[#6@H]-1-[#6]-[#6]-[#6]\[#6](-[#6]1)=[#6]\[#6](-[#8-])=O |r|
Show InChI InChI=1S/C21H28O3.Na/c22-20(12-5-4-9-17-7-2-1-3-8-17)14-13-18-10-6-11-19(15-18)16-21(23)24;/h1-3,7-8,13-14,16,18,20,22H,4-6,9-12,15H2,(H,23,24);/q;+1/p-1/b14-13+,19-16-;/t18-,20?;/m1./s1
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CNRS 5074

Curated by ChEMBL


Assay Description
Inhibition of binding of [3H]LTB4 (1 nM) to intact human polymorphonuclear leukocytes (PMNs)


J Med Chem 42: 5289-310 (1999)


Article DOI: 10.1021/jm9910573
BindingDB Entry DOI: 10.7270/Q25Q4ZT8
More data for this
Ligand-Target Pair
Leukotriene B4 receptor 2


(Homo sapiens (Human))
BDBM50472432
PNG
(CHEMBL358980)
Show SMILES [Na;v0+].[#8]-[#6](-[#6]-[#6]-[#6]-[#6]-c1ccccc1)\[#6]=[#6]\[#6@H]-1-[#6]-[#6]-[#6][C@]([#8])([#6]-[#6](-[#8-])=O)[#6]1 |r|
Show InChI InChI=1S/C21H30O4.Na/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);/q;+1/p-1/b13-12+;/t18-,19?,21-;/m1./s1
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CNRS 5074

Curated by ChEMBL


Assay Description
Inhibition of binding of [3H]LTB4 (1 nM) to intact human polymorphonuclear leukocytes (PMNs)


J Med Chem 42: 5289-310 (1999)


Article DOI: 10.1021/jm9910573
BindingDB Entry DOI: 10.7270/Q25Q4ZT8
More data for this
Ligand-Target Pair
Leukotriene B4 receptor 2


(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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CNRS 5074

Curated by ChEMBL


Assay Description
Inhibition of binding of [3H]LTB4 (1 nM) to intact human polymorphonuclear leukocytes (PMNs)


J Med Chem 42: 5289-310 (1999)


Article DOI: 10.1021/jm9910573
BindingDB Entry DOI: 10.7270/Q25Q4ZT8
More data for this
Ligand-Target Pair
Leukotriene B4 receptor 2


(Homo sapiens (Human))
BDBM50472430
PNG
(CHEMBL150467)
Show SMILES [Na;v0+].[#8]-[#6](=O)-[#6]C([#8])([#6]-[#6]-[#6]-[#6]-c1ccccc1)\[#6]=[#6]\[#6@H]-1-[#6]-[#6]-[#6][C@@]([#8])([#6]-[#6](-[#8-])=O)[#6]1 |r|
Show InChI InChI=1S/C23H32O6.Na/c24-20(25)16-22(28,12-5-4-9-18-7-2-1-3-8-18)14-11-19-10-6-13-23(29,15-19)17-21(26)27;/h1-3,7-8,11,14,19,28-29H,4-6,9-10,12-13,15-17H2,(H,24,25)(H,26,27);/q;+1/p-1/b14-11+;/t19-,22?,23+;/m1./s1
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CNRS 5074

Curated by ChEMBL


Assay Description
Inhibition of binding of [3H]LTB4 (1 nM) to intact human polymorphonuclear leukocytes (PMNs)


J Med Chem 42: 5289-310 (1999)


Article DOI: 10.1021/jm9910573
BindingDB Entry DOI: 10.7270/Q25Q4ZT8
More data for this
Ligand-Target Pair
Leukotriene B4 receptor 2


(Homo sapiens (Human))
BDBM50472428
PNG
(CHEMBL345517)
Show SMILES [Na;v0+].[#8]-[#6](-[#6]-[#6]-[#6]-[#6]-c1ccccc1)\[#6]=[#6]\[#6@H]-1-[#6]-[#6]-[#6]\[#6](-[#6]1)=[#6]\[#6](-[#8-])=O |r|
Show InChI InChI=1S/C21H28O3.Na/c22-20(12-5-4-9-17-7-2-1-3-8-17)14-13-18-10-6-11-19(15-18)16-21(23)24;/h1-3,7-8,13-14,16,18,20,22H,4-6,9-12,15H2,(H,23,24);/q;+1/p-1/b14-13+,19-16-;/t18-,20?;/m1./s1
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CNRS 5074

Curated by ChEMBL


Assay Description
Inhibition of binding of [3H]LTB4 (1 nM) to intact human polymorphonuclear leukocytes (PMNs)


J Med Chem 42: 5289-310 (1999)


Article DOI: 10.1021/jm9910573
BindingDB Entry DOI: 10.7270/Q25Q4ZT8
More data for this
Ligand-Target Pair
Leukotriene B4 receptor 2


(Homo sapiens (Human))
BDBM50472427
PNG
(CHEMBL149001)
Show SMILES [Na;v0+].[#6]-[#6]-[#6]-[#6]-[#6]-[#6](-[#8])\[#6]=[#6]\[#6@H]-1-[#6]-[#6]-[#6][C@]([#8])([#6]-[#6](-[#8-])=O)[#6]1 |r|
Show InChI InChI=1S/C16H28O4.Na/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);/q;+1/p-1/b9-8+;/t13-,14?,16-;/m1./s1
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CNRS 5074

Curated by ChEMBL


Assay Description
Inhibition of binding of [3H]LTB4 (1 nM) to intact human polymorphonuclear leukocytes (PMNs)


J Med Chem 42: 5289-310 (1999)


Article DOI: 10.1021/jm9910573
BindingDB Entry DOI: 10.7270/Q25Q4ZT8
More data for this
Ligand-Target Pair
Leukotriene B4 receptor 2


(Homo sapiens (Human))
BDBM50472427
PNG
(CHEMBL149001)
Show SMILES [Na;v0+].[#6]-[#6]-[#6]-[#6]-[#6]-[#6](-[#8])\[#6]=[#6]\[#6@H]-1-[#6]-[#6]-[#6][C@]([#8])([#6]-[#6](-[#8-])=O)[#6]1 |r|
Show InChI InChI=1S/C16H28O4.Na/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);/q;+1/p-1/b9-8+;/t13-,14?,16-;/m1./s1
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CNRS 5074

Curated by ChEMBL


Assay Description
Inhibition of binding of [3H]LTB4 (1 nM) to intact human polymorphonuclear leukocytes (PMNs)


J Med Chem 42: 5289-310 (1999)


Article DOI: 10.1021/jm9910573
BindingDB Entry DOI: 10.7270/Q25Q4ZT8
More data for this
Ligand-Target Pair
Leukotriene B4 receptor 2


(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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CNRS 5074

Curated by ChEMBL


Assay Description
Inhibition of binding of [3H]LTB4 (1 nM) to intact human polymorphonuclear leukocytes (PMNs)


J Med Chem 42: 5289-310 (1999)


Article DOI: 10.1021/jm9910573
BindingDB Entry DOI: 10.7270/Q25Q4ZT8
More data for this
Ligand-Target Pair
Leukotriene B4 receptor 1


(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
Leukotriene B4 receptor 1


(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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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
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