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Compile Data Set for Download or QSAR

Found 32 hits with Last Name = 'rossi' and Initial = 'jc'   
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))
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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90n/an/an/an/an/an/an/an/a



UMR CNRS 5074

Curated by ChEMBL


Assay Description
Binding affinity of the compound towards Cannabinoid receptor 1 in rat forebrain membranes using [3H]-CP-55,940 as radioligand


Bioorg Med Chem Lett 13: 1977-80 (2003)


BindingDB Entry DOI: 10.7270/Q23X861T
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50128915
PNG
((8Z,11Z,14Z)-1-Hydroxy-tricosa-8,11,14,17-tetraen-...)
Show SMILES CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)CCCO
Show InChI InChI=1S/C23H38O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-23(25)21-19-22-24/h6-7,9-10,12-13,15-16,24H,2-5,8,11,14,17-22H2,1H3/b7-6-,10-9-,13-12-,16-15-
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360n/an/an/an/an/an/an/an/a



UMR CNRS 5074

Curated by ChEMBL


Assay Description
Binding affinity of the compound towards Cannabinoid receptor 1 in rat forebrain membranes using [3H]-CP-55,940 as radioligand


Bioorg Med Chem Lett 13: 1977-80 (2003)


BindingDB Entry DOI: 10.7270/Q23X861T
More data for this
Ligand-Target Pair
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))
BDBM50128914
PNG
((12Z,15Z)-1-Hydroxy-henicosa-12,15-dien-4-one | CH...)
Show SMILES CCCCC\C=C/C\C=C/CCCCCCCC(=O)CCCO
Show InChI InChI=1S/C21H38O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-21(23)19-17-20-22/h6-7,9-10,22H,2-5,8,11-20H2,1H3/b7-6-,10-9-
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2.10E+3n/an/an/an/an/an/an/an/a



UMR CNRS 5074

Curated by ChEMBL


Assay Description
Binding affinity of the compound towards Cannabinoid receptor 1 in rat forebrain membranes using [3H]-CP-55,940 as radioligand


Bioorg Med Chem Lett 13: 1977-80 (2003)


BindingDB Entry DOI: 10.7270/Q23X861T
More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Rattus norvegicus (rat))
BDBM50128912
PNG
((5Z,8Z,11Z)-2,2-Dimethyl-icosa-5,8,11,14-tetraenoi...)
Show SMILES CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCC(C)(C)C(=O)OCCO
Show InChI InChI=1S/C24H40O3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24(2,3)23(26)27-22-21-25/h8-9,11-12,14-15,17-18,25H,4-7,10,13,16,19-22H2,1-3H3/b9-8-,12-11-,15-14-,18-17-
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2.10E+3n/an/an/an/an/an/an/an/a



UMR CNRS 5074

Curated by ChEMBL


Assay Description
Binding affinity of the compound towards Fatty-acid amide hydrolase (FAAH) in rat forebrain membranes


Bioorg Med Chem Lett 13: 1977-80 (2003)


BindingDB Entry DOI: 10.7270/Q23X861T
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
Anandamide amidohydrolase


(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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3.00E+3n/an/an/an/an/an/an/an/a



UMR CNRS 5074

Curated by ChEMBL


Assay Description
Binding affinity of the compound towards Fatty-acid amide hydrolase (FAAH) in rat forebrain membranes


Bioorg Med Chem Lett 13: 1977-80 (2003)


BindingDB Entry DOI: 10.7270/Q23X861T
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
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50128913
PNG
((5Z,8Z,11Z)-Icosa-5,8,11,14-tetraenoic acid 2-hydr...)
Show SMILES CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)OCCO
Show InChI InChI=1S/C22H36O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(24)25-21-20-23/h6-7,9-10,12-13,15-16,23H,2-5,8,11,14,17-21H2,1H3/b7-6-,10-9-,13-12-,16-15-
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>1.00E+4n/an/an/an/an/an/an/an/a



UMR CNRS 5074

Curated by ChEMBL


Assay Description
Binding affinity of the compound towards Cannabinoid receptor 1 in rat forebrain membranes using [3H]-CP-55,940 as radioligand


Bioorg Med Chem Lett 13: 1977-80 (2003)


BindingDB Entry DOI: 10.7270/Q23X861T
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50128912
PNG
((5Z,8Z,11Z)-2,2-Dimethyl-icosa-5,8,11,14-tetraenoi...)
Show SMILES CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCC(C)(C)C(=O)OCCO
Show InChI InChI=1S/C24H40O3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24(2,3)23(26)27-22-21-25/h8-9,11-12,14-15,17-18,25H,4-7,10,13,16,19-22H2,1-3H3/b9-8-,12-11-,15-14-,18-17-
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>1.00E+4n/an/an/an/an/an/an/an/a



UMR CNRS 5074

Curated by ChEMBL


Assay Description
Binding affinity of the compound towards Cannabinoid receptor 1 in rat forebrain membranes using [3H]-CP-55,940 as radioligand


Bioorg Med Chem Lett 13: 1977-80 (2003)


BindingDB Entry DOI: 10.7270/Q23X861T
More data for this
Ligand-Target Pair
Glutathione S-transferase kappa 1


(Homo sapiens (Human))
BDBM50422268
PNG
(GLUTATHIONE | GSH)
Show SMILES N[C@@H](CCC(=O)N[C@@H](CS)C(=O)NCC(O)=O)C(O)=O |r|
Show InChI InChI=1S/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/t5-,6-/m0/s1
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n/an/a 20n/an/an/an/an/an/a



Université Sidi Mohamed Ben Abdellah

Curated by ChEMBL


Assay Description
Affinity towards recombinant Glutathione S-transferase (GST) Enzyme.


J Med Chem 41: 2278-88 (1998)


Article DOI: 10.1021/jm970518m
BindingDB Entry DOI: 10.7270/Q2154G56
More data for this
Ligand-Target Pair
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
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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n/an/a 300n/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))
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
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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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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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
Glutathione S-transferase kappa 1


(Homo sapiens (Human))
BDBM50064878
PNG
(5-Mercaptomethyl-undecanedioic acid | CHEMBL75497)
Show SMILES OC(=O)CCCCCC(CS)CCCC(O)=O
Show InChI InChI=1S/C12H22O4S/c13-11(14)7-3-1-2-5-10(9-17)6-4-8-12(15)16/h10,17H,1-9H2,(H,13,14)(H,15,16)
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n/an/a 5.20E+3n/an/an/an/an/an/a



Université Sidi Mohamed Ben Abdellah

Curated by ChEMBL


Assay Description
Affinity towards recombinant Glutathione S-transferase (GST) Enzyme.


J Med Chem 41: 2278-88 (1998)


Article DOI: 10.1021/jm970518m
BindingDB Entry DOI: 10.7270/Q2154G56
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
Glutathione S-transferase kappa 1


(Homo sapiens (Human))
BDBM50064879
PNG
(5-Mercaptomethyl-decanedioic acid | CHEMBL73552)
Show SMILES OC(=O)CCCCC(CS)CCCC(O)=O
Show InChI InChI=1S/C11H20O4S/c12-10(13)6-2-1-4-9(8-16)5-3-7-11(14)15/h9,16H,1-8H2,(H,12,13)(H,14,15)
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Université Sidi Mohamed Ben Abdellah

Curated by ChEMBL


Assay Description
Affinity towards recombinant Glutathione S-transferase (GST) Enzyme.


J Med Chem 41: 2278-88 (1998)


Article DOI: 10.1021/jm970518m
BindingDB Entry DOI: 10.7270/Q2154G56
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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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
Glutathione S-transferase kappa 1


(Homo sapiens (Human))
BDBM50064881
PNG
(4-Mercaptomethyl-decanedioic acid | CHEMBL76285)
Show SMILES OC(=O)CCCCCC(CS)CCC(O)=O
Show InChI InChI=1S/C11H20O4S/c12-10(13)5-3-1-2-4-9(8-16)6-7-11(14)15/h9,16H,1-8H2,(H,12,13)(H,14,15)
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n/an/a 1.80E+6n/an/an/an/an/an/a



Université Sidi Mohamed Ben Abdellah

Curated by ChEMBL


Assay Description
Affinity towards recombinant Glutathione S-transferase (GST) Enzyme.


J Med Chem 41: 2278-88 (1998)


Article DOI: 10.1021/jm970518m
BindingDB Entry DOI: 10.7270/Q2154G56
More data for this
Ligand-Target Pair