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Compile Data Set for Download or QSAR

Found 12 hits with Last Name = 'sepulchre' and Initial = 'c'   
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
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))
BDBM50283367
PNG
(CHEMBL82171 | Potassium; (5Z,8Z)-9-[(1S,6S)-6-((1Z...)
Show SMILES CCCCC\C=C/C\C=C/[C@@H]1CC(C)=C(C)C[C@H]1\C=C/C\C=C/CCCC([O-])=O |t:13|
Show InChI InChI=1S/C27H42O2/c1-4-5-6-7-8-9-12-15-18-25-21-23(2)24(3)22-26(25)19-16-13-10-11-14-17-20-27(28)29/h8-11,15-16,18-19,25-26H,4-7,12-14,17,20-22H2,1-3H3,(H,28,29)/p-1/b9-8-,11-10-,18-15-,19-16-/t25-,26-/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 tested for the inhibition of 5-lipoxygenase of human PMN stimulated by calcium ionophore A-23,187 for the formation of 5-HETE


Bioorg Med Chem Lett 4: 247-252 (1994)


Article DOI: 10.1016/S0960-894X(01)80123-2
BindingDB Entry DOI: 10.7270/Q2CZ3732
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))
BDBM50283366
PNG
(CHEMBL85370 | Potassium; (5Z,8Z)-9-[(1S,6R)-6-((1Z...)
Show SMILES CCCCC\C=C/C\C=C/[C@H]1CC(C)=C(C)C[C@H]1\C=C/C\C=C/CCCC([O-])=O |t:13|
Show InChI InChI=1S/C27H42O2/c1-4-5-6-7-8-9-12-15-18-25-21-23(2)24(3)22-26(25)19-16-13-10-11-14-17-20-27(28)29/h8-11,15-16,18-19,25-26H,4-7,12-14,17,20-22H2,1-3H3,(H,28,29)/p-1/b9-8-,11-10-,18-15-,19-16-/t25-,26+/m0/s1
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n/an/a 1.10E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for the inhibition of 5-lipoxygenase of human PMN stimulated by calcium ionophore A-23,187 for the formation of 5-HETE


Bioorg Med Chem Lett 4: 247-252 (1994)


Article DOI: 10.1016/S0960-894X(01)80123-2
BindingDB Entry DOI: 10.7270/Q2CZ3732
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))
BDBM50283367
PNG
(CHEMBL82171 | Potassium; (5Z,8Z)-9-[(1S,6S)-6-((1Z...)
Show SMILES CCCCC\C=C/C\C=C/[C@@H]1CC(C)=C(C)C[C@H]1\C=C/C\C=C/CCCC([O-])=O |t:13|
Show InChI InChI=1S/C27H42O2/c1-4-5-6-7-8-9-12-15-18-25-21-23(2)24(3)22-26(25)19-16-13-10-11-14-17-20-27(28)29/h8-11,15-16,18-19,25-26H,4-7,12-14,17,20-22H2,1-3H3,(H,28,29)/p-1/b9-8-,11-10-,18-15-,19-16-/t25-,26-/m1/s1
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n/an/a 1.60E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for the inhibition of 5-lipoxygenase of human PMN stimulated by calcium ionophore A-23,187 for the formation of leukotriene B4 (L...


Bioorg Med Chem Lett 4: 247-252 (1994)


Article DOI: 10.1016/S0960-894X(01)80123-2
BindingDB Entry DOI: 10.7270/Q2CZ3732
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))
BDBM50283368
PNG
(CHEMBL84549 | Potassium; (5Z,8Z)-9-[(1S,2S)-((1Z,4...)
Show SMILES CCCCC\C=C/C\C=C/[C@@H]1C[C@H]1\C=C/C\C=C/CCCC([O-])=O
Show InChI InChI=1S/C22H34O2/c1-2-3-4-5-6-7-10-13-16-20-19-21(20)17-14-11-8-9-12-15-18-22(23)24/h6-9,13-14,16-17,20-21H,2-5,10-12,15,18-19H2,1H3,(H,23,24)/p-1/b7-6-,9-8-,16-13-,17-14-/t20-,21-/m1/s1
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n/an/a 1.70E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for the inhibition of 5-lipoxygenase of human PMN stimulated by calcium ionophore A-23,187 for the formation of 5-HETE


Bioorg Med Chem Lett 4: 247-252 (1994)


Article DOI: 10.1016/S0960-894X(01)80123-2
BindingDB Entry DOI: 10.7270/Q2CZ3732
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))
BDBM50283368
PNG
(CHEMBL84549 | Potassium; (5Z,8Z)-9-[(1S,2S)-((1Z,4...)
Show SMILES CCCCC\C=C/C\C=C/[C@@H]1C[C@H]1\C=C/C\C=C/CCCC([O-])=O
Show InChI InChI=1S/C22H34O2/c1-2-3-4-5-6-7-10-13-16-20-19-21(20)17-14-11-8-9-12-15-18-22(23)24/h6-9,13-14,16-17,20-21H,2-5,10-12,15,18-19H2,1H3,(H,23,24)/p-1/b7-6-,9-8-,16-13-,17-14-/t20-,21-/m1/s1
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n/an/a 1.70E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for the inhibition of 5-lipoxygenase of human PMN stimulated by calcium ionophore A-23,187 for the formation of 5-HETE


Bioorg Med Chem Lett 4: 247-252 (1994)


Article DOI: 10.1016/S0960-894X(01)80123-2
BindingDB Entry DOI: 10.7270/Q2CZ3732
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))
BDBM50283366
PNG
(CHEMBL85370 | Potassium; (5Z,8Z)-9-[(1S,6R)-6-((1Z...)
Show SMILES CCCCC\C=C/C\C=C/[C@H]1CC(C)=C(C)C[C@H]1\C=C/C\C=C/CCCC([O-])=O |t:13|
Show InChI InChI=1S/C27H42O2/c1-4-5-6-7-8-9-12-15-18-25-21-23(2)24(3)22-26(25)19-16-13-10-11-14-17-20-27(28)29/h8-11,15-16,18-19,25-26H,4-7,12-14,17,20-22H2,1-3H3,(H,28,29)/p-1/b9-8-,11-10-,18-15-,19-16-/t25-,26+/m0/s1
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n/an/a 1.90E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for the inhibition of 5-lipoxygenase of human PMN stimulated by calcium ionophore A-23,187 for the formation of 5-HETE


Bioorg Med Chem Lett 4: 247-252 (1994)


Article DOI: 10.1016/S0960-894X(01)80123-2
BindingDB Entry DOI: 10.7270/Q2CZ3732
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))
BDBM50283368
PNG
(CHEMBL84549 | Potassium; (5Z,8Z)-9-[(1S,2S)-((1Z,4...)
Show SMILES CCCCC\C=C/C\C=C/[C@@H]1C[C@H]1\C=C/C\C=C/CCCC([O-])=O
Show InChI InChI=1S/C22H34O2/c1-2-3-4-5-6-7-10-13-16-20-19-21(20)17-14-11-8-9-12-15-18-22(23)24/h6-9,13-14,16-17,20-21H,2-5,10-12,15,18-19H2,1H3,(H,23,24)/p-1/b7-6-,9-8-,16-13-,17-14-/t20-,21-/m1/s1
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n/an/a 2.40E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for the inhibition of 5-lipoxygenase of human PMN stimulated by calcium ionophore A-23,187 for the formation of leukotriene B4 (L...


Bioorg Med Chem Lett 4: 247-252 (1994)


Article DOI: 10.1016/S0960-894X(01)80123-2
BindingDB Entry DOI: 10.7270/Q2CZ3732
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))
BDBM50283368
PNG
(CHEMBL84549 | Potassium; (5Z,8Z)-9-[(1S,2S)-((1Z,4...)
Show SMILES CCCCC\C=C/C\C=C/[C@@H]1C[C@H]1\C=C/C\C=C/CCCC([O-])=O
Show InChI InChI=1S/C22H34O2/c1-2-3-4-5-6-7-10-13-16-20-19-21(20)17-14-11-8-9-12-15-18-22(23)24/h6-9,13-14,16-17,20-21H,2-5,10-12,15,18-19H2,1H3,(H,23,24)/p-1/b7-6-,9-8-,16-13-,17-14-/t20-,21-/m1/s1
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n/an/a 2.40E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for the inhibition of 5-lipoxygenase of human PMN stimulated by calcium ionophore A-23,187 for the formation of leukotriene B4 (L...


Bioorg Med Chem Lett 4: 247-252 (1994)


Article DOI: 10.1016/S0960-894X(01)80123-2
BindingDB Entry DOI: 10.7270/Q2CZ3732
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))
BDBM50283370
PNG
((6E,8E,10Z,13Z)-(R)-5-Hydroxy-nonadeca-6,8,10,13-t...)
Show SMILES CCCCC\C=C/C\C=C/C=C/C=C/[C@H](O)CCCCN=O
Show InChI InChI=1S/C19H31NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-19(21)17-14-15-18-20-22/h6-7,9-13,16,19,21H,2-5,8,14-15,17-18H2,1H3/b7-6-,10-9-,12-11+,16-13+/t19-/m0/s1
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n/an/a 2.80E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of 5-lipoxygenase was evaluated in human polymorphonuclear leukocytes stimulated by calcium ionophore A-23,187 for formation of 5-HETE


Bioorg Med Chem Lett 4: 261-266 (1994)


Article DOI: 10.1016/S0960-894X(01)80126-8
BindingDB Entry DOI: 10.7270/Q2862GCN
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))
BDBM50283370
PNG
((6E,8E,10Z,13Z)-(R)-5-Hydroxy-nonadeca-6,8,10,13-t...)
Show SMILES CCCCC\C=C/C\C=C/C=C/C=C/[C@H](O)CCCCN=O
Show InChI InChI=1S/C19H31NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-19(21)17-14-15-18-20-22/h6-7,9-13,16,19,21H,2-5,8,14-15,17-18H2,1H3/b7-6-,10-9-,12-11+,16-13+/t19-/m0/s1
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n/an/a 3.30E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of 5-lipoxygenase was evaluated in human polymorphonuclear leukocytes stimulated by calcium ionophore A-23,187 for formation of LTB4


Bioorg Med Chem Lett 4: 261-266 (1994)


Article DOI: 10.1016/S0960-894X(01)80126-8
BindingDB Entry DOI: 10.7270/Q2862GCN
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))
BDBM50283369
PNG
((6E,8E,10Z,13Z)-5-Hydroxy-nonadeca-6,8,10,13-tetra...)
Show SMILES CCCCC\C=C/C\C=C/C=C/C=C/C(O)CCCCN=O
Show InChI InChI=1S/C19H31NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-19(21)17-14-15-18-20-22/h6-7,9-13,16,19,21H,2-5,8,14-15,17-18H2,1H3/b7-6-,10-9-,12-11+,16-13+
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n/an/a 4.40E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of 5-lipoxygenase was evaluated in human polymorphonuclear leukocytes stimulated by calcium ionophore A-23,187 for formation of LTB4


Bioorg Med Chem Lett 4: 261-266 (1994)


Article DOI: 10.1016/S0960-894X(01)80126-8
BindingDB Entry DOI: 10.7270/Q2862GCN
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))
BDBM50283369
PNG
((6E,8E,10Z,13Z)-5-Hydroxy-nonadeca-6,8,10,13-tetra...)
Show SMILES CCCCC\C=C/C\C=C/C=C/C=C/C(O)CCCCN=O
Show InChI InChI=1S/C19H31NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-19(21)17-14-15-18-20-22/h6-7,9-13,16,19,21H,2-5,8,14-15,17-18H2,1H3/b7-6-,10-9-,12-11+,16-13+
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n/an/a 5.40E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of 5-lipoxygenase was evaluated in human polymorphonuclear leukocytes stimulated by calcium ionophore A-23,187 for formation of 5-HETE


Bioorg Med Chem Lett 4: 261-266 (1994)


Article DOI: 10.1016/S0960-894X(01)80126-8
BindingDB Entry DOI: 10.7270/Q2862GCN
More data for this
Ligand-Target Pair