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Compile Data Set for Download or QSAR

Found 40 hits from Aristotelian University of Thessaloniki   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Cyclooxygenase-1 (COX-1)


(Homo sapiens (Human))
BDBM13065
PNG
(5-(4-chlorophenyl)-1-(4-methoxyphenyl)-3-(trifluor...)
Show SMILES COc1ccc(cc1)-n1nc(cc1-c1ccc(Cl)cc1)C(F)(F)F
Show InChI InChI=1S/C17H12ClF3N2O/c1-24-14-8-6-13(7-9-14)23-15(10-16(22-23)17(19,20)21)11-2-4-12(18)5-3-11/h2-10H,1H3
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n/an/a 7.80n/an/an/an/an/an/a



Aristotelian University of Thessaloniki

Curated by ChEMBL


Assay Description
Inhibition of COX1


Eur J Med Chem 46: 191-200 (2010)


Article DOI: 10.1016/j.ejmech.2010.10.035
BindingDB Entry DOI: 10.7270/Q2XD11ZG
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(RAT)
BDBM50298593
PNG
((R)-2-(2-(7-fluoro-1H-indole-2-carboxamido)benzami...)
Show SMILES OC(=O)[C@@H](Cc1ccccc1)NC(=O)c1ccccc1NC(=O)c1cc2cccc(F)c2[nH]1
Show InChI InChI=1S/C25H20FN3O4/c26-18-11-6-9-16-14-20(27-22(16)18)24(31)28-19-12-5-4-10-17(19)23(30)29-21(25(32)33)13-15-7-2-1-3-8-15/h1-12,14,21,27H,13H2,(H,28,31)(H,29,30)(H,32,33)/t21-/m1/s1
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n/an/a 55n/an/an/an/an/an/a



Aristotelian University of Thessaloniki

Curated by ChEMBL


Assay Description
Displacement of [125I]-CCK8 from CCK1 receptor in rat pancreatic acinar cells


Bioorg Med Chem 17: 5198-206 (2009)


Article DOI: 10.1016/j.bmc.2009.05.067
BindingDB Entry DOI: 10.7270/Q2QC03JB
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(RAT)
BDBM50298576
PNG
((R)-2-(2-(1H-indole-2-carboxamido)benzamido)-3-phe...)
Show SMILES OC(=O)[C@@H](Cc1ccccc1)NC(=O)c1ccccc1NC(=O)c1cc2ccccc2[nH]1
Show InChI InChI=1S/C25H21N3O4/c29-23(28-22(25(31)32)14-16-8-2-1-3-9-16)18-11-5-7-13-20(18)27-24(30)21-15-17-10-4-6-12-19(17)26-21/h1-13,15,22,26H,14H2,(H,27,30)(H,28,29)(H,31,32)/t22-/m1/s1
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n/an/a 106n/an/an/an/an/an/a



Aristotelian University of Thessaloniki

Curated by ChEMBL


Assay Description
Displacement of [125I]-CCK8 from CCK1 receptor in rat pancreatic acinar cells


Bioorg Med Chem 17: 5198-206 (2009)


Article DOI: 10.1016/j.bmc.2009.05.067
BindingDB Entry DOI: 10.7270/Q2QC03JB
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(RAT)
BDBM50298589
PNG
((R)-2-(2-(5-fluoro-1H-indole-2-carboxamido)benzami...)
Show SMILES OC(=O)[C@@H](Cc1ccccc1)NC(=O)c1ccccc1NC(=O)c1cc2cc(F)ccc2[nH]1
Show InChI InChI=1S/C25H20FN3O4/c26-17-10-11-19-16(13-17)14-21(27-19)24(31)28-20-9-5-4-8-18(20)23(30)29-22(25(32)33)12-15-6-2-1-3-7-15/h1-11,13-14,22,27H,12H2,(H,28,31)(H,29,30)(H,32,33)/t22-/m1/s1
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n/an/a 151n/an/an/an/an/an/a



Aristotelian University of Thessaloniki

Curated by ChEMBL


Assay Description
Displacement of [125I]-CCK8 from CCK1 receptor in rat pancreatic acinar cells


Bioorg Med Chem 17: 5198-206 (2009)


Article DOI: 10.1016/j.bmc.2009.05.067
BindingDB Entry DOI: 10.7270/Q2QC03JB
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(RAT)
BDBM50298592
PNG
((+/-)-2-(2-(7-fluoro-1H-indole-2-carboxamido)benza...)
Show SMILES OC(=O)C(Cc1ccccc1)NC(=O)c1ccccc1NC(=O)c1cc2cccc(F)c2[nH]1
Show InChI InChI=1S/C25H20FN3O4/c26-18-11-6-9-16-14-20(27-22(16)18)24(31)28-19-12-5-4-10-17(19)23(30)29-21(25(32)33)13-15-7-2-1-3-8-15/h1-12,14,21,27H,13H2,(H,28,31)(H,29,30)(H,32,33)
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n/an/a 159n/an/an/an/an/an/a



Aristotelian University of Thessaloniki

Curated by ChEMBL


Assay Description
Displacement of [125I]-CCK8 from CCK1 receptor in rat pancreatic acinar cells


Bioorg Med Chem 17: 5198-206 (2009)


Article DOI: 10.1016/j.bmc.2009.05.067
BindingDB Entry DOI: 10.7270/Q2QC03JB
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(RAT)
BDBM50185262
PNG
((+/-)-2-(2-(1H-indole-2-carboxamido)benzamido)-3-p...)
Show SMILES OC(=O)C(Cc1ccccc1)NC(=O)c1ccccc1NC(=O)c1cc2ccccc2[nH]1
Show InChI InChI=1S/C25H21N3O4/c29-23(28-22(25(31)32)14-16-8-2-1-3-9-16)18-11-5-7-13-20(18)27-24(30)21-15-17-10-4-6-12-19(17)26-21/h1-13,15,22,26H,14H2,(H,27,30)(H,28,29)(H,31,32)
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n/an/a 197n/an/an/an/an/an/a



Aristotelian University of Thessaloniki

Curated by ChEMBL


Assay Description
Displacement of [125I]-CCK8 from CCK1 receptor in rat pancreatic acinar cells


Bioorg Med Chem 17: 5198-206 (2009)


Article DOI: 10.1016/j.bmc.2009.05.067
BindingDB Entry DOI: 10.7270/Q2QC03JB
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(RAT)
BDBM50298591
PNG
((+/-)-2-(2-(6-fluoro-1H-indole-2-carboxamido)benza...)
Show SMILES OC(=O)C(Cc1ccccc1)NC(=O)c1ccccc1NC(=O)c1cc2ccc(F)cc2[nH]1
Show InChI InChI=1S/C25H20FN3O4/c26-17-11-10-16-13-21(27-20(16)14-17)24(31)28-19-9-5-4-8-18(19)23(30)29-22(25(32)33)12-15-6-2-1-3-7-15/h1-11,13-14,22,27H,12H2,(H,28,31)(H,29,30)(H,32,33)
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n/an/a 294n/an/an/an/an/an/a



Aristotelian University of Thessaloniki

Curated by ChEMBL


Assay Description
Displacement of [125I]-CCK8 from CCK1 receptor in rat pancreatic acinar cells


Bioorg Med Chem 17: 5198-206 (2009)


Article DOI: 10.1016/j.bmc.2009.05.067
BindingDB Entry DOI: 10.7270/Q2QC03JB
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(RAT)
BDBM50298588
PNG
((+/-)-2-(2-(5-fluoro-1H-indole-2-carboxamido)benza...)
Show SMILES OC(=O)C(Cc1ccccc1)NC(=O)c1ccccc1NC(=O)c1cc2cc(F)ccc2[nH]1
Show InChI InChI=1S/C25H20FN3O4/c26-17-10-11-19-16(13-17)14-21(27-19)24(31)28-20-9-5-4-8-18(20)23(30)29-22(25(32)33)12-15-6-2-1-3-7-15/h1-11,13-14,22,27H,12H2,(H,28,31)(H,29,30)(H,32,33)
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n/an/a 314n/an/an/an/an/an/a



Aristotelian University of Thessaloniki

Curated by ChEMBL


Assay Description
Displacement of [125I]-CCK8 from CCK1 receptor in rat pancreatic acinar cells


Bioorg Med Chem 17: 5198-206 (2009)


Article DOI: 10.1016/j.bmc.2009.05.067
BindingDB Entry DOI: 10.7270/Q2QC03JB
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(RAT)
BDBM50298579
PNG
((+/-)-2-(2-(1-methyl-1H-indole-2-carboxamido)benza...)
Show SMILES Cn1c(cc2ccccc12)C(=O)Nc1ccccc1C(=O)NC(Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C26H23N3O4/c1-29-22-14-8-5-11-18(22)16-23(29)25(31)27-20-13-7-6-12-19(20)24(30)28-21(26(32)33)15-17-9-3-2-4-10-17/h2-14,16,21H,15H2,1H3,(H,27,31)(H,28,30)(H,32,33)
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n/an/a 350n/an/an/an/an/an/a



Aristotelian University of Thessaloniki

Curated by ChEMBL


Assay Description
Displacement of [125I]-CCK8 from CCK1 receptor in rat pancreatic acinar cells


Bioorg Med Chem 17: 5198-206 (2009)


Article DOI: 10.1016/j.bmc.2009.05.067
BindingDB Entry DOI: 10.7270/Q2QC03JB
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(RAT)
BDBM50298583
PNG
((+/-)-3-phenyl-2-(2-(7-(trifluoromethyl)-1H-indole...)
Show SMILES OC(=O)C(Cc1ccccc1)NC(=O)c1ccccc1NC(=O)c1cc2cccc(c2[nH]1)C(F)(F)F
Show InChI InChI=1S/C26H20F3N3O4/c27-26(28,29)18-11-6-9-16-14-20(30-22(16)18)24(34)31-19-12-5-4-10-17(19)23(33)32-21(25(35)36)13-15-7-2-1-3-8-15/h1-12,14,21,30H,13H2,(H,31,34)(H,32,33)(H,35,36)
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n/an/a 538n/an/an/an/an/an/a



Aristotelian University of Thessaloniki

Curated by ChEMBL


Assay Description
Displacement of [125I]-CCK8 from CCK1 receptor in rat pancreatic acinar cells


Bioorg Med Chem 17: 5198-206 (2009)


Article DOI: 10.1016/j.bmc.2009.05.067
BindingDB Entry DOI: 10.7270/Q2QC03JB
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(RAT)
BDBM50298582
PNG
((+/-)-2-(2-(7-methyl-1H-indole-2-carboxamido)benza...)
Show SMILES Cc1cccc2cc([nH]c12)C(=O)Nc1ccccc1C(=O)NC(Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C26H23N3O4/c1-16-8-7-11-18-15-21(27-23(16)18)25(31)28-20-13-6-5-12-19(20)24(30)29-22(26(32)33)14-17-9-3-2-4-10-17/h2-13,15,22,27H,14H2,1H3,(H,28,31)(H,29,30)(H,32,33)
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n/an/a 671n/an/an/an/an/an/a



Aristotelian University of Thessaloniki

Curated by ChEMBL


Assay Description
Displacement of [125I]-CCK8 from CCK1 receptor in rat pancreatic acinar cells


Bioorg Med Chem 17: 5198-206 (2009)


Article DOI: 10.1016/j.bmc.2009.05.067
BindingDB Entry DOI: 10.7270/Q2QC03JB
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(RAT)
BDBM50298595
PNG
((+/-)-2-(2-(benzofuran-2-carboxamido)benzamido)-3-...)
Show SMILES OC(=O)C(Cc1ccccc1)NC(=O)c1ccccc1NC(=O)c1cc2ccccc2o1
Show InChI InChI=1S/C25H20N2O5/c28-23(27-20(25(30)31)14-16-8-2-1-3-9-16)18-11-5-6-12-19(18)26-24(29)22-15-17-10-4-7-13-21(17)32-22/h1-13,15,20H,14H2,(H,26,29)(H,27,28)(H,30,31)
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n/an/a 891n/an/an/an/an/an/a



Aristotelian University of Thessaloniki

Curated by ChEMBL


Assay Description
Displacement of [125I]-CCK8 from CCK1 receptor in rat pancreatic acinar cells


Bioorg Med Chem 17: 5198-206 (2009)


Article DOI: 10.1016/j.bmc.2009.05.067
BindingDB Entry DOI: 10.7270/Q2QC03JB
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(RAT)
BDBM50298587
PNG
((+/-)-2-(2-(4-fluoro-1H-indole-2-carboxamido)benza...)
Show SMILES OC(=O)C(Cc1ccccc1)NC(=O)c1ccccc1NC(=O)c1cc2c(F)cccc2[nH]1
Show InChI InChI=1S/C25H20FN3O4/c26-18-10-6-12-20-17(18)14-21(27-20)24(31)28-19-11-5-4-9-16(19)23(30)29-22(25(32)33)13-15-7-2-1-3-8-15/h1-12,14,22,27H,13H2,(H,28,31)(H,29,30)(H,32,33)
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n/an/a 937n/an/an/an/an/an/a



Aristotelian University of Thessaloniki

Curated by ChEMBL


Assay Description
Displacement of [125I]-CCK8 from CCK1 receptor in rat pancreatic acinar cells


Bioorg Med Chem 17: 5198-206 (2009)


Article DOI: 10.1016/j.bmc.2009.05.067
BindingDB Entry DOI: 10.7270/Q2QC03JB
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(RAT)
BDBM50298586
PNG
((+/-)-2-(2-(1-methyl-5-nitro-1H-indole-2-carboxami...)
Show SMILES Cn1c(cc2cc(ccc12)[N+]([O-])=O)C(=O)Nc1ccccc1C(=O)NC(Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C26H22N4O6/c1-29-22-12-11-18(30(35)36)14-17(22)15-23(29)25(32)27-20-10-6-5-9-19(20)24(31)28-21(26(33)34)13-16-7-3-2-4-8-16/h2-12,14-15,21H,13H2,1H3,(H,27,32)(H,28,31)(H,33,34)
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n/an/a 1.11E+3n/an/an/an/an/an/a



Aristotelian University of Thessaloniki

Curated by ChEMBL


Assay Description
Displacement of [125I]-CCK8 from CCK1 receptor in rat pancreatic acinar cells


Bioorg Med Chem 17: 5198-206 (2009)


Article DOI: 10.1016/j.bmc.2009.05.067
BindingDB Entry DOI: 10.7270/Q2QC03JB
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(RAT)
BDBM50298596
PNG
((+/-)-2-(2-(benzo[b]thiophene-2-carboxamido)benzam...)
Show SMILES OC(=O)C(Cc1ccccc1)NC(=O)c1ccccc1NC(=O)c1cc2ccccc2s1
Show InChI InChI=1S/C25H20N2O4S/c28-23(27-20(25(30)31)14-16-8-2-1-3-9-16)18-11-5-6-12-19(18)26-24(29)22-15-17-10-4-7-13-21(17)32-22/h1-13,15,20H,14H2,(H,26,29)(H,27,28)(H,30,31)
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n/an/a 1.12E+3n/an/an/an/an/an/a



Aristotelian University of Thessaloniki

Curated by ChEMBL


Assay Description
Displacement of [125I]-CCK8 from CCK1 receptor in rat pancreatic acinar cells


Bioorg Med Chem 17: 5198-206 (2009)


Article DOI: 10.1016/j.bmc.2009.05.067
BindingDB Entry DOI: 10.7270/Q2QC03JB
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(RAT)
BDBM50298572
PNG
((+/-)-3-phenyl-2-(2-(4,5,6,7-tetrahydro-1H-indole-...)
Show SMILES OC(=O)C(Cc1ccccc1)NC(=O)c1ccccc1NC(=O)c1cc2CCCCc2[nH]1
Show InChI InChI=1S/C25H25N3O4/c29-23(28-22(25(31)32)14-16-8-2-1-3-9-16)18-11-5-7-13-20(18)27-24(30)21-15-17-10-4-6-12-19(17)26-21/h1-3,5,7-9,11,13,15,22,26H,4,6,10,12,14H2,(H,27,30)(H,28,29)(H,31,32)
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n/an/a 1.20E+3n/an/an/an/an/an/a



Aristotelian University of Thessaloniki

Curated by ChEMBL


Assay Description
Displacement of [125I]-CCK8 from CCK1 receptor in rat pancreatic acinar cells


Bioorg Med Chem 17: 5198-206 (2009)


Article DOI: 10.1016/j.bmc.2009.05.067
BindingDB Entry DOI: 10.7270/Q2QC03JB
More data for this
Ligand-Target Pair
Lipoxygenase-1


(Glycine max (soybean))
BDBM32020
PNG
(4-[4-(3,4-dihydroxyphenyl)-2,3-dimethyl-butyl]pyro...)
Show SMILES CC(Cc1ccc(O)c(O)c1)C(C)Cc1ccc(O)c(O)c1
Show InChI InChI=1S/C18H22O4/c1-11(7-13-3-5-15(19)17(21)9-13)12(2)8-14-4-6-16(20)18(22)10-14/h3-6,9-12,19-22H,7-8H2,1-2H3
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n/an/a 1.30E+3n/an/an/an/an/an/a



Aristotelian University of Thessaloniki

Curated by ChEMBL


Assay Description
Inhibition of soybean lipoxygenase after 7 mins


Bioorg Med Chem 15: 951-61 (2006)


Article DOI: 10.1016/j.bmc.2006.10.056
BindingDB Entry DOI: 10.7270/Q2CN73JN
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(RAT)
BDBM50298584
PNG
((+/-)-2-(2-(5-chloro-1H-indole-2-carboxamido)benza...)
Show SMILES OC(=O)C(Cc1ccccc1)NC(=O)c1ccccc1NC(=O)c1cc2cc(Cl)ccc2[nH]1
Show InChI InChI=1S/C25H20ClN3O4/c26-17-10-11-19-16(13-17)14-21(27-19)24(31)28-20-9-5-4-8-18(20)23(30)29-22(25(32)33)12-15-6-2-1-3-7-15/h1-11,13-14,22,27H,12H2,(H,28,31)(H,29,30)(H,32,33)
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n/an/a 1.84E+3n/an/an/an/an/an/a



Aristotelian University of Thessaloniki

Curated by ChEMBL


Assay Description
Displacement of [125I]-CCK8 from CCK1 receptor in rat pancreatic acinar cells


Bioorg Med Chem 17: 5198-206 (2009)


Article DOI: 10.1016/j.bmc.2009.05.067
BindingDB Entry DOI: 10.7270/Q2QC03JB
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(RAT)
BDBM50298577
PNG
((+/-)-2-(2-(1H-indole-3-carboxamido)benzamido)-3-p...)
Show SMILES OC(=O)C(Cc1ccccc1)NC(=O)c1ccccc1NC(=O)c1c[nH]c2ccccc12
Show InChI InChI=1S/C25H21N3O4/c29-23(28-22(25(31)32)14-16-8-2-1-3-9-16)18-11-5-7-13-21(18)27-24(30)19-15-26-20-12-6-4-10-17(19)20/h1-13,15,22,26H,14H2,(H,27,30)(H,28,29)(H,31,32)
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n/an/a 1.87E+3n/an/an/an/an/an/a



Aristotelian University of Thessaloniki

Curated by ChEMBL


Assay Description
Displacement of [125I]-CCK8 from CCK1 receptor in rat pancreatic acinar cells


Bioorg Med Chem 17: 5198-206 (2009)


Article DOI: 10.1016/j.bmc.2009.05.067
BindingDB Entry DOI: 10.7270/Q2QC03JB
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(RAT)
BDBM50298581
PNG
((+/-)-2-(2-(3-methyl-1H-indole-2-carboxamido)benza...)
Show SMILES Cc1c([nH]c2ccccc12)C(=O)Nc1ccccc1C(=O)NC(Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C26H23N3O4/c1-16-18-11-5-7-13-20(18)27-23(16)25(31)28-21-14-8-6-12-19(21)24(30)29-22(26(32)33)15-17-9-3-2-4-10-17/h2-14,22,27H,15H2,1H3,(H,28,31)(H,29,30)(H,32,33)
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n/an/a 2.06E+3n/an/an/an/an/an/a



Aristotelian University of Thessaloniki

Curated by ChEMBL


Assay Description
Displacement of [125I]-CCK8 from CCK1 receptor in rat pancreatic acinar cells


Bioorg Med Chem 17: 5198-206 (2009)


Article DOI: 10.1016/j.bmc.2009.05.067
BindingDB Entry DOI: 10.7270/Q2QC03JB
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(RAT)
BDBM50298599
PNG
((+/-)-2-(2-(1H-indene-2-carboxamido)benzamido)-3-p...)
Show SMILES OC(=O)C(Cc1ccccc1)NC(=O)c1ccccc1NC(=O)C1=Cc2ccccc2C1
Show InChI InChI=1S/C26H22N2O4/c29-24(20-15-18-10-4-5-11-19(18)16-20)27-22-13-7-6-12-21(22)25(30)28-23(26(31)32)14-17-8-2-1-3-9-17/h1-13,15,23H,14,16H2,(H,27,29)(H,28,30)(H,31,32)
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n/an/a 2.53E+3n/an/an/an/an/an/a



Aristotelian University of Thessaloniki

Curated by ChEMBL


Assay Description
Displacement of [125I]-CCK8 from CCK1 receptor in rat pancreatic acinar cells


Bioorg Med Chem 17: 5198-206 (2009)


Article DOI: 10.1016/j.bmc.2009.05.067
BindingDB Entry DOI: 10.7270/Q2QC03JB
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(RAT)
BDBM50298574
PNG
((+/-)-3-phenyl-2-(2-(thiophene-2-carboxamido)benza...)
Show SMILES OC(=O)C(Cc1ccccc1)NC(=O)c1ccccc1NC(=O)c1cccs1
Show InChI InChI=1S/C21H18N2O4S/c24-19(23-17(21(26)27)13-14-7-2-1-3-8-14)15-9-4-5-10-16(15)22-20(25)18-11-6-12-28-18/h1-12,17H,13H2,(H,22,25)(H,23,24)(H,26,27)
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n/an/a 2.56E+3n/an/an/an/an/an/a



Aristotelian University of Thessaloniki

Curated by ChEMBL


Assay Description
Displacement of [125I]-CCK8 from CCK1 receptor in rat pancreatic acinar cells


Bioorg Med Chem 17: 5198-206 (2009)


Article DOI: 10.1016/j.bmc.2009.05.067
BindingDB Entry DOI: 10.7270/Q2QC03JB
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(RAT)
BDBM50298580
PNG
((+/-)-2-(2-(5-methyl-1H-indole-2-carboxamido)benza...)
Show SMILES Cc1ccc2[nH]c(cc2c1)C(=O)Nc1ccccc1C(=O)NC(Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C26H23N3O4/c1-16-11-12-20-18(13-16)15-22(27-20)25(31)28-21-10-6-5-9-19(21)24(30)29-23(26(32)33)14-17-7-3-2-4-8-17/h2-13,15,23,27H,14H2,1H3,(H,28,31)(H,29,30)(H,32,33)
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n/an/a 2.79E+3n/an/an/an/an/an/a



Aristotelian University of Thessaloniki

Curated by ChEMBL


Assay Description
Displacement of [125I]-CCK8 from CCK1 receptor in rat pancreatic acinar cells


Bioorg Med Chem 17: 5198-206 (2009)


Article DOI: 10.1016/j.bmc.2009.05.067
BindingDB Entry DOI: 10.7270/Q2QC03JB
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(RAT)
BDBM50298600
PNG
((+/-)-3-phenyl-2-(2-(quinoline-3-carboxamido)benza...)
Show SMILES OC(=O)C(Cc1ccccc1)NC(=O)c1ccccc1NC(=O)c1cnc2ccccc2c1
Show InChI InChI=1S/C26H21N3O4/c30-24(19-15-18-10-4-6-12-21(18)27-16-19)28-22-13-7-5-11-20(22)25(31)29-23(26(32)33)14-17-8-2-1-3-9-17/h1-13,15-16,23H,14H2,(H,28,30)(H,29,31)(H,32,33)
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n/an/a 3.13E+3n/an/an/an/an/an/a



Aristotelian University of Thessaloniki

Curated by ChEMBL


Assay Description
Displacement of [125I]-CCK8 from CCK1 receptor in rat pancreatic acinar cells


Bioorg Med Chem 17: 5198-206 (2009)


Article DOI: 10.1016/j.bmc.2009.05.067
BindingDB Entry DOI: 10.7270/Q2QC03JB
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(RAT)
BDBM50298598
PNG
((+/-)-2-(2-(1H-benzo[d]imidazole-2-carboxamido)ben...)
Show SMILES OC(=O)C(Cc1ccccc1)NC(=O)c1ccccc1NC(=O)c1nc2ccccc2[nH]1
Show InChI InChI=1S/C24H20N4O4/c29-22(28-20(24(31)32)14-15-8-2-1-3-9-15)16-10-4-5-11-17(16)27-23(30)21-25-18-12-6-7-13-19(18)26-21/h1-13,20H,14H2,(H,25,26)(H,27,30)(H,28,29)(H,31,32)
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n/an/a 3.39E+3n/an/an/an/an/an/a



Aristotelian University of Thessaloniki

Curated by ChEMBL


Assay Description
Displacement of [125I]-CCK8 from CCK1 receptor in rat pancreatic acinar cells


Bioorg Med Chem 17: 5198-206 (2009)


Article DOI: 10.1016/j.bmc.2009.05.067
BindingDB Entry DOI: 10.7270/Q2QC03JB
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(RAT)
BDBM50298585
PNG
((+/-)-2-(2-(5-nitro-1H-indole-2-carboxamido)benzam...)
Show SMILES OC(=O)C(Cc1ccccc1)NC(=O)c1ccccc1NC(=O)c1cc2cc(ccc2[nH]1)[N+]([O-])=O
Show InChI InChI=1S/C25H20N4O6/c30-23(28-22(25(32)33)12-15-6-2-1-3-7-15)18-8-4-5-9-20(18)27-24(31)21-14-16-13-17(29(34)35)10-11-19(16)26-21/h1-11,13-14,22,26H,12H2,(H,27,31)(H,28,30)(H,32,33)
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n/an/a 3.55E+3n/an/an/an/an/an/a



Aristotelian University of Thessaloniki

Curated by ChEMBL


Assay Description
Displacement of [125I]-CCK8 from CCK1 receptor in rat pancreatic acinar cells


Bioorg Med Chem 17: 5198-206 (2009)


Article DOI: 10.1016/j.bmc.2009.05.067
BindingDB Entry DOI: 10.7270/Q2QC03JB
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(RAT)
BDBM50298594
PNG
((S)-2-(2-(7-fluoro-1H-indole-2-carboxamido)benzami...)
Show SMILES OC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1NC(=O)c1cc2cccc(F)c2[nH]1
Show InChI InChI=1S/C25H20FN3O4/c26-18-11-6-9-16-14-20(27-22(16)18)24(31)28-19-12-5-4-10-17(19)23(30)29-21(25(32)33)13-15-7-2-1-3-8-15/h1-12,14,21,27H,13H2,(H,28,31)(H,29,30)(H,32,33)/t21-/m0/s1
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n/an/a 3.55E+3n/an/an/an/an/an/a



Aristotelian University of Thessaloniki

Curated by ChEMBL


Assay Description
Displacement of [125I]-CCK8 from CCK1 receptor in rat pancreatic acinar cells


Bioorg Med Chem 17: 5198-206 (2009)


Article DOI: 10.1016/j.bmc.2009.05.067
BindingDB Entry DOI: 10.7270/Q2QC03JB
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(RAT)
BDBM50298597
PNG
((+/-)-2-(2-(3-methyl-1H-indene-2-carboxamido)benza...)
Show SMILES CC1=C(Cc2ccccc12)C(=O)Nc1ccccc1C(=O)NC(Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C27H24N2O4/c1-17-20-12-6-5-11-19(20)16-22(17)26(31)28-23-14-8-7-13-21(23)25(30)29-24(27(32)33)15-18-9-3-2-4-10-18/h2-14,24H,15-16H2,1H3,(H,28,31)(H,29,30)(H,32,33)
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n/an/a 3.78E+3n/an/an/an/an/an/a



Aristotelian University of Thessaloniki

Curated by ChEMBL


Assay Description
Displacement of [125I]-CCK8 from CCK1 receptor in rat pancreatic acinar cells


Bioorg Med Chem 17: 5198-206 (2009)


Article DOI: 10.1016/j.bmc.2009.05.067
BindingDB Entry DOI: 10.7270/Q2QC03JB
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(RAT)
BDBM50185260
PNG
((+/-)-2-(2-cinnamamidobenzamido)-3-phenylpropanoic...)
Show SMILES OC(=O)C(Cc1ccccc1)NC(=O)c1ccccc1NC(=O)\C=C\c1ccccc1
Show InChI InChI=1S/C25H22N2O4/c28-23(16-15-18-9-3-1-4-10-18)26-21-14-8-7-13-20(21)24(29)27-22(25(30)31)17-19-11-5-2-6-12-19/h1-16,22H,17H2,(H,26,28)(H,27,29)(H,30,31)/b16-15+
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n/an/a 4.01E+3n/an/an/an/an/an/a



Aristotelian University of Thessaloniki

Curated by ChEMBL


Assay Description
Displacement of [125I]-CCK8 from CCK1 receptor in rat pancreatic acinar cells


Bioorg Med Chem 17: 5198-206 (2009)


Article DOI: 10.1016/j.bmc.2009.05.067
BindingDB Entry DOI: 10.7270/Q2QC03JB
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(RAT)
BDBM50298575
PNG
((S)-2-(2-(1H-indole-2-carboxamido)benzamido)-3-phe...)
Show SMILES OC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1NC(=O)c1cc2ccccc2[nH]1
Show InChI InChI=1S/C25H21N3O4/c29-23(28-22(25(31)32)14-16-8-2-1-3-9-16)18-11-5-7-13-20(18)27-24(30)21-15-17-10-4-6-12-19(17)26-21/h1-13,15,22,26H,14H2,(H,27,30)(H,28,29)(H,31,32)/t22-/m0/s1
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n/an/a 1.02E+4n/an/an/an/an/an/a



Aristotelian University of Thessaloniki

Curated by ChEMBL


Assay Description
Displacement of [125I]-CCK8 from CCK1 receptor in rat pancreatic acinar cells


Bioorg Med Chem 17: 5198-206 (2009)


Article DOI: 10.1016/j.bmc.2009.05.067
BindingDB Entry DOI: 10.7270/Q2QC03JB
More data for this
Ligand-Target Pair
Seed linoleate 9S-lipoxygenase


(Glycine max)
BDBM50140137
PNG
(CHEMBL3753908)
Show SMILES COc1ccc2cc(ccc2c1)C(C)C(=O)N1CCSCC1
Show InChI InChI=1S/C18H21NO2S/c1-13(18(20)19-7-9-22-10-8-19)14-3-4-16-12-17(21-2)6-5-15(16)11-14/h3-6,11-13H,7-10H2,1-2H3
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n/an/a 1.20E+4n/an/an/an/an/an/a



Aristotelian University of Thessaloniki

Curated by ChEMBL


Assay Description
Inhibition of soybean lipoxygenase assessed as formation of 13-hydroperoxylinoleic acid after 7 mins


Bioorg Med Chem Lett 26: 910-3 (2016)


Article DOI: 10.1016/j.bmcl.2015.12.063
BindingDB Entry DOI: 10.7270/Q2GM8955
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(RAT)
BDBM50298571
PNG
((+/-)-2-(2-(3-oxo-3-(styrylamino)propanamido)benza...)
Show SMILES OC(=O)C(Cc1ccccc1)NC(=O)c1ccccc1NC(=O)CC(=O)N\C=C\c1ccccc1
Show InChI InChI=1S/C27H25N3O5/c31-24(28-16-15-19-9-3-1-4-10-19)18-25(32)29-22-14-8-7-13-21(22)26(33)30-23(27(34)35)17-20-11-5-2-6-12-20/h1-16,23H,17-18H2,(H,28,31)(H,29,32)(H,30,33)(H,34,35)/b16-15+
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n/an/a 1.27E+4n/an/an/an/an/an/a



Aristotelian University of Thessaloniki

Curated by ChEMBL


Assay Description
Displacement of [125I]-CCK8 from CCK1 receptor in rat pancreatic acinar cells


Bioorg Med Chem 17: 5198-206 (2009)


Article DOI: 10.1016/j.bmc.2009.05.067
BindingDB Entry DOI: 10.7270/Q2QC03JB
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(RAT)
BDBM50298573
PNG
((+/-)-2-(2-(1,3a,4,5,6,6a-hexahydrocyclopenta[b]py...)
Show SMILES OC(=O)C(Cc1ccccc1)NC(=O)c1ccccc1NC(=O)C1=NC2CCCC2C1
Show InChI InChI=1S/C24H25N3O4/c28-22(27-21(24(30)31)13-15-7-2-1-3-8-15)17-10-4-5-11-19(17)26-23(29)20-14-16-9-6-12-18(16)25-20/h1-5,7-8,10-11,16,18,21H,6,9,12-14H2,(H,26,29)(H,27,28)(H,30,31)
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n/an/a 1.31E+4n/an/an/an/an/an/a



Aristotelian University of Thessaloniki

Curated by ChEMBL


Assay Description
Displacement of [125I]-CCK8 from CCK1 receptor in rat pancreatic acinar cells


Bioorg Med Chem 17: 5198-206 (2009)


Article DOI: 10.1016/j.bmc.2009.05.067
BindingDB Entry DOI: 10.7270/Q2QC03JB
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(RAT)
BDBM50298601
PNG
((+/-)-2-(2-(isoquinoline-1-carboxamido)benzamido)-...)
Show SMILES OC(=O)C(Cc1ccccc1)NC(=O)c1ccccc1NC(=O)c1nccc2ccccc12
Show InChI InChI=1S/C26H21N3O4/c30-24(29-22(26(32)33)16-17-8-2-1-3-9-17)20-12-6-7-13-21(20)28-25(31)23-19-11-5-4-10-18(19)14-15-27-23/h1-15,22H,16H2,(H,28,31)(H,29,30)(H,32,33)
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n/an/a 1.33E+4n/an/an/an/an/an/a



Aristotelian University of Thessaloniki

Curated by ChEMBL


Assay Description
Displacement of [125I]-CCK8 from CCK1 receptor in rat pancreatic acinar cells


Bioorg Med Chem 17: 5198-206 (2009)


Article DOI: 10.1016/j.bmc.2009.05.067
BindingDB Entry DOI: 10.7270/Q2QC03JB
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(RAT)
BDBM50298578
PNG
((+/-)-2-(2-(3-(1H-indol-3-yl)propanamido)benzamido...)
Show SMILES OC(=O)C(Cc1ccccc1)NC(=O)c1ccccc1NC(=O)CCc1c[nH]c2ccccc12
Show InChI InChI=1S/C27H25N3O4/c31-25(15-14-19-17-28-22-12-6-4-10-20(19)22)29-23-13-7-5-11-21(23)26(32)30-24(27(33)34)16-18-8-2-1-3-9-18/h1-13,17,24,28H,14-16H2,(H,29,31)(H,30,32)(H,33,34)
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n/an/a 1.79E+4n/an/an/an/an/an/a



Aristotelian University of Thessaloniki

Curated by ChEMBL


Assay Description
Displacement of [125I]-CCK8 from CCK1 receptor in rat pancreatic acinar cells


Bioorg Med Chem 17: 5198-206 (2009)


Article DOI: 10.1016/j.bmc.2009.05.067
BindingDB Entry DOI: 10.7270/Q2QC03JB
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(RAT)
BDBM50298590
PNG
((S)-2-(2-(5-fluoro-1H-indole-2-carboxamido)benzami...)
Show SMILES OC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1NC(=O)c1cc2cc(F)ccc2[nH]1
Show InChI InChI=1S/C25H20FN3O4/c26-17-10-11-19-16(13-17)14-21(27-19)24(31)28-20-9-5-4-8-18(20)23(30)29-22(25(32)33)12-15-6-2-1-3-7-15/h1-11,13-14,22,27H,12H2,(H,28,31)(H,29,30)(H,32,33)/t22-/m0/s1
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n/an/a 3.01E+4n/an/an/an/an/an/a



Aristotelian University of Thessaloniki

Curated by ChEMBL


Assay Description
Displacement of [125I]-CCK8 from CCK1 receptor in rat pancreatic acinar cells


Bioorg Med Chem 17: 5198-206 (2009)


Article DOI: 10.1016/j.bmc.2009.05.067
BindingDB Entry DOI: 10.7270/Q2QC03JB
More data for this
Ligand-Target Pair
Lipoxygenase-1


(Glycine max (soybean))
BDBM50410782
PNG
(CHEMBL204551)
Show SMILES COc1ccc2cc(ccc2c1)C(C)C(=O)N1CCCC1C(=O)NCCS
Show InChI InChI=1S/C21H26N2O3S/c1-14(15-5-6-17-13-18(26-2)8-7-16(17)12-15)21(25)23-10-3-4-19(23)20(24)22-9-11-27/h5-8,12-14,19,27H,3-4,9-11H2,1-2H3,(H,22,24)
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n/an/a 3.50E+4n/an/an/an/an/an/a



Aristotelian University of Thessaloniki

Curated by ChEMBL


Assay Description
Inhibition of soybean lipoxygenase


Bioorg Med Chem Lett 16: 825-9 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.027
BindingDB Entry DOI: 10.7270/Q25T3MP0
More data for this
Ligand-Target Pair
Lipoxygenase-1


(Glycine max (soybean))
BDBM50410781
PNG
(CHEMBL436935)
Show SMILES CCOC(=O)C(CS)NC(=O)C1CCCN1C(=O)C(C)c1ccc2cc(OC)ccc2c1
Show InChI InChI=1S/C24H30N2O5S/c1-4-31-24(29)20(14-32)25-22(27)21-6-5-11-26(21)23(28)15(2)16-7-8-18-13-19(30-3)10-9-17(18)12-16/h7-10,12-13,15,20-21,32H,4-6,11,14H2,1-3H3,(H,25,27)
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n/an/a 4.80E+4n/an/an/an/an/an/a



Aristotelian University of Thessaloniki

Curated by ChEMBL


Assay Description
Inhibition of soybean lipoxygenase


Bioorg Med Chem Lett 16: 825-9 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.027
BindingDB Entry DOI: 10.7270/Q25T3MP0
More data for this
Ligand-Target Pair
Lipoxygenase-1


(Glycine max (soybean))
BDBM50199514
PNG
(2-methoxy-4-methylphenyl 1-(2-(4-isobutylphenyl)pr...)
Show SMILES COc1cc(C)ccc1OC(=O)C1CCCN1C(=O)C(C)c1ccc(CC(C)C)cc1
Show InChI InChI=1S/C26H33NO4/c1-17(2)15-20-9-11-21(12-10-20)19(4)25(28)27-14-6-7-22(27)26(29)31-23-13-8-18(3)16-24(23)30-5/h8-13,16-17,19,22H,6-7,14-15H2,1-5H3
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n/an/a 1.40E+5n/an/an/an/an/an/a



Aristotelian University of Thessaloniki

Curated by ChEMBL


Assay Description
Inhibition of soybean lipoxygenase after 7 mins


Bioorg Med Chem 15: 951-61 (2006)


Article DOI: 10.1016/j.bmc.2006.10.056
BindingDB Entry DOI: 10.7270/Q2CN73JN
More data for this
Ligand-Target Pair
Lipoxygenase-1


(Glycine max (soybean))
BDBM50410780
PNG
(CHEMBL204505)
Show SMILES CCOC(=O)C(CS)NC(=O)C1CCCN1C(=O)Cc1c(C)n(C(=O)c2ccc(Cl)cc2)c2ccc(OC)cc12
Show InChI InChI=1S/C29H32ClN3O6S/c1-4-39-29(37)23(16-40)31-27(35)25-6-5-13-32(25)26(34)15-21-17(2)33(24-12-11-20(38-3)14-22(21)24)28(36)18-7-9-19(30)10-8-18/h7-12,14,23,25,40H,4-6,13,15-16H2,1-3H3,(H,31,35)
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Article
PubMed
n/an/a 2.00E+5n/an/an/an/an/an/a



Aristotelian University of Thessaloniki

Curated by ChEMBL


Assay Description
Inhibition of soybean lipoxygenase


Bioorg Med Chem Lett 16: 825-9 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.027
BindingDB Entry DOI: 10.7270/Q25T3MP0
More data for this
Ligand-Target Pair