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Articleid 50029692

Compile data set for download or QSAR
Found 29 hits of Enzyme Inhibition Constant Data   
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
CCKBR


(RAT)
BDBM50056101
PNG
(1-[(R)-2-Oxo-1-(2-oxo-2-o-tolyl-ethyl)-5-phenyl-2,...)
Show SMILES Cc1cccc(NC(=O)N[C@@H]2N=C(c3ccccc3)c3ccccc3N(CC(=O)c3ccccc3C)C2=O)c1
Show InChI InChI=1S/C32H28N4O3/c1-21-11-10-15-24(19-21)33-32(39)35-30-31(38)36(20-28(37)25-16-7-6-12-22(25)2)27-18-9-8-17-26(27)29(34-30)23-13-4-3-5-14-23/h3-19,30H,20H2,1-2H3,(H2,33,35,39)/t30-/m0/s1
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n/an/a 0.110n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity towards gastrin/Cholecystokinin type B receptor from rat brain using [125I]-CCK-8 as the radioligand


Bioorg Med Chem Lett 6: 55-58 (1996)


Article DOI: 10.1016/0960-894X(95)00557-A
BindingDB Entry DOI: 10.7270/Q2CJ8DGT
More data for this
Ligand-Target Pair
CCKBR


(RAT)
BDBM50286903
PNG
(1-[1-(2-Cyclopentyl-2-oxo-ethyl)-2-oxo-5-pyridin-2...)
Show SMILES Cc1cccc(NC(=O)NC2N=C(c3ccccn3)c3ccccc3N(CC(=O)C3CCCC3)C2=O)c1
Show InChI InChI=1S/C29H29N5O3/c1-19-9-8-12-21(17-19)31-29(37)33-27-28(36)34(18-25(35)20-10-2-3-11-20)24-15-5-4-13-22(24)26(32-27)23-14-6-7-16-30-23/h4-9,12-17,20,27H,2-3,10-11,18H2,1H3,(H2,31,33,37)
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n/an/a 0.120n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity towards gastrin/Cholecystokinin type B receptor from rat brain using [125I]-CCK-8 as the radioligand


Bioorg Med Chem Lett 6: 55-58 (1996)


Article DOI: 10.1016/0960-894X(95)00557-A
BindingDB Entry DOI: 10.7270/Q2CJ8DGT
More data for this
Ligand-Target Pair
CCKBR


(RAT)
BDBM50286897
PNG
(1-[2-Oxo-1-(2-oxo-2-o-tolyl-ethyl)-5-pyridin-2-yl-...)
Show SMILES Cc1cccc(NC(=O)NC2N=C(c3ccccn3)c3ccccc3N(CC(=O)c3ccccc3C)C2=O)c1
Show InChI InChI=1S/C31H27N5O3/c1-20-10-9-12-22(18-20)33-31(39)35-29-30(38)36(19-27(37)23-13-4-3-11-21(23)2)26-16-6-5-14-24(26)28(34-29)25-15-7-8-17-32-25/h3-18,29H,19H2,1-2H3,(H2,33,35,39)
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n/an/a 0.130n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity towards gastrin/Cholecystokinin type B receptor from rat brain using [125I]-CCK-8 as the radioligand


Bioorg Med Chem Lett 6: 55-58 (1996)


Article DOI: 10.1016/0960-894X(95)00557-A
BindingDB Entry DOI: 10.7270/Q2CJ8DGT
More data for this
Ligand-Target Pair
CCKBR


(RAT)
BDBM50286882
PNG
(1-[(S)-1-(2-Cyclopentyl-2-oxo-ethyl)-2-oxo-5-pheny...)
Show SMILES Cc1cccc(NC(=O)N[C@H]2N=C(c3ccccc3)c3ccccc3N(CC(=O)C3CCCC3)C2=O)c1
Show InChI InChI=1S/C30H30N4O3/c1-20-10-9-15-23(18-20)31-30(37)33-28-29(36)34(19-26(35)21-11-5-6-12-21)25-17-8-7-16-24(25)27(32-28)22-13-3-2-4-14-22/h2-4,7-10,13-18,21,28H,5-6,11-12,19H2,1H3,(H2,31,33,37)/t28-/m1/s1
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n/an/a 0.230n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity towards gastrin/Cholecystokinin type B receptor from rat brain using [125I]-CCK-8 as the radioligand


Bioorg Med Chem Lett 6: 55-58 (1996)


Article DOI: 10.1016/0960-894X(95)00557-A
BindingDB Entry DOI: 10.7270/Q2CJ8DGT
More data for this
Ligand-Target Pair
CCKBR


(RAT)
BDBM50056096
PNG
(1-[(R)-1-(3,3-Dimethyl-2-oxo-butyl)-2-oxo-5-pyridi...)
Show SMILES Cc1cccc(NC(=O)N[C@@H]2N=C(c3ccccn3)c3ccccc3N(CC(=O)C(C)(C)C)C2=O)c1
Show InChI InChI=1S/C28H29N5O3/c1-18-10-9-11-19(16-18)30-27(36)32-25-26(35)33(17-23(34)28(2,3)4)22-14-6-5-12-20(22)24(31-25)21-13-7-8-15-29-21/h5-16,25H,17H2,1-4H3,(H2,30,32,36)/t25-/m0/s1
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n/an/a 0.440n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity towards gastrin/Cholecystokinin type B receptor from rat brain using [125I]-CCK-8 as the radioligand


Bioorg Med Chem Lett 6: 55-58 (1996)


Article DOI: 10.1016/0960-894X(95)00557-A
BindingDB Entry DOI: 10.7270/Q2CJ8DGT
More data for this
Ligand-Target Pair
CCKBR


(RAT)
BDBM50056097
PNG
(1-[(R)-1-(3,3-Dimethyl-2-oxo-butyl)-2-oxo-5-phenyl...)
Show SMILES Cc1cccc(NC(=O)N[C@@H]2N=C(c3ccccc3)c3ccccc3N(CC(=O)C(C)(C)C)C2=O)c1
Show InChI InChI=1S/C29H30N4O3/c1-19-11-10-14-21(17-19)30-28(36)32-26-27(35)33(18-24(34)29(2,3)4)23-16-9-8-15-22(23)25(31-26)20-12-6-5-7-13-20/h5-17,26H,18H2,1-4H3,(H2,30,32,36)/t26-/m0/s1
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n/an/a 0.520n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity towards gastrin/Cholecystokinin type B receptor from rat brain using [125I]-CCK-8 as the radioligand


Bioorg Med Chem Lett 6: 55-58 (1996)


Article DOI: 10.1016/0960-894X(95)00557-A
BindingDB Entry DOI: 10.7270/Q2CJ8DGT
More data for this
Ligand-Target Pair
CCKBR


(RAT)
BDBM50286896
PNG
(1-(3,3-Dimethyl-2-oxo-butyl)-5-thiazol-2-yl-3-[(m-...)
Show SMILES Cc1cccc(NCNC2N=C(c3nccs3)c3ccccc3N(CC(=O)C(C)(C)C)C2=O)c1
Show InChI InChI=1S/C26H29N5O2S/c1-17-8-7-9-18(14-17)28-16-29-23-25(33)31(15-21(32)26(2,3)4)20-11-6-5-10-19(20)22(30-23)24-27-12-13-34-24/h5-14,23,28-29H,15-16H2,1-4H3
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n/an/a 0.800n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity towards gastrin/Cholecystokinin type B receptor from rat brain using [125I]-CCK-8 as the radioligand


Bioorg Med Chem Lett 6: 55-58 (1996)


Article DOI: 10.1016/0960-894X(95)00557-A
BindingDB Entry DOI: 10.7270/Q2CJ8DGT
More data for this
Ligand-Target Pair
CCKBR


(RAT)
BDBM50286904
PNG
(1-[1-(3,3-Dimethyl-2-oxo-butyl)-2-oxo-5-pyrazin-2-...)
Show SMILES Cc1cccc(NC(=O)NC2N=C(c3cnccn3)c3ccccc3N(CC(=O)C(C)(C)C)C2=O)c1
Show InChI InChI=1S/C27H28N6O3/c1-17-8-7-9-18(14-17)30-26(36)32-24-25(35)33(16-22(34)27(2,3)4)21-11-6-5-10-19(21)23(31-24)20-15-28-12-13-29-20/h5-15,24H,16H2,1-4H3,(H2,30,32,36)
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n/an/a 0.880n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity towards gastrin/Cholecystokinin type B receptor from rat brain using [125I]-CCK-8 as the radioligand


Bioorg Med Chem Lett 6: 55-58 (1996)


Article DOI: 10.1016/0960-894X(95)00557-A
BindingDB Entry DOI: 10.7270/Q2CJ8DGT
More data for this
Ligand-Target Pair
CCKBR


(RAT)
BDBM50286900
PNG
(1-[1-(2-Cyclopentyl-2-oxo-ethyl)-2-oxo-5-pyridin-3...)
Show SMILES Cc1cccc(NC(=O)NC2N=C(c3cccnc3)c3ccccc3N(CC(=O)C3CCCC3)C2=O)c1
Show InChI InChI=1S/C29H29N5O3/c1-19-8-6-12-22(16-19)31-29(37)33-27-28(36)34(18-25(35)20-9-2-3-10-20)24-14-5-4-13-23(24)26(32-27)21-11-7-15-30-17-21/h4-8,11-17,20,27H,2-3,9-10,18H2,1H3,(H2,31,33,37)
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n/an/a 1.60n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity towards gastrin/Cholecystokinin type B receptor from rat brain using [125I]-CCK-8 as the radioligand


Bioorg Med Chem Lett 6: 55-58 (1996)


Article DOI: 10.1016/0960-894X(95)00557-A
BindingDB Entry DOI: 10.7270/Q2CJ8DGT
More data for this
Ligand-Target Pair
CCKBR


(RAT)
BDBM50286898
PNG
(1-[1-(3,3-Dimethyl-2-oxo-butyl)-5-(1-methyl-1H-imi...)
Show SMILES Cc1cccc(NC(=O)NC2N=C(c3nccn3C)c3ccccc3N(CC(=O)C(C)(C)C)C2=O)c1
Show InChI InChI=1S/C27H30N6O3/c1-17-9-8-10-18(15-17)29-26(36)31-23-25(35)33(16-21(34)27(2,3)4)20-12-7-6-11-19(20)22(30-23)24-28-13-14-32(24)5/h6-15,23H,16H2,1-5H3,(H2,29,31,36)
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n/an/a 4.5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity towards gastrin/Cholecystokinin type B receptor from rat brain using [125I]-CCK-8 as the radioligand


Bioorg Med Chem Lett 6: 55-58 (1996)


Article DOI: 10.1016/0960-894X(95)00557-A
BindingDB Entry DOI: 10.7270/Q2CJ8DGT
More data for this
Ligand-Target Pair
CCKBR


(RAT)
BDBM50286899
PNG
(1-[1-(3,3-Dimethyl-2-oxo-butyl)-5-(1H-imidazol-2-y...)
Show SMILES Cc1cccc(NC(=O)NC2N=C(c3ncc[nH]3)c3ccccc3N(CC(=O)C(C)(C)C)C2=O)c1
Show InChI InChI=1S/C26H28N6O3/c1-16-8-7-9-17(14-16)29-25(35)31-23-24(34)32(15-20(33)26(2,3)4)19-11-6-5-10-18(19)21(30-23)22-27-12-13-28-22/h5-14,23H,15H2,1-4H3,(H,27,28)(H2,29,31,35)
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n/an/a 8n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity towards gastrin/Cholecystokinin type B receptor from rat brain using [125I]-CCK-8 as the radioligand


Bioorg Med Chem Lett 6: 55-58 (1996)


Article DOI: 10.1016/0960-894X(95)00557-A
BindingDB Entry DOI: 10.7270/Q2CJ8DGT
More data for this
Ligand-Target Pair
CCKBR


(RAT)
BDBM50286894
PNG
(1-[2-Oxo-1-(2-oxo-2-o-tolyl-ethyl)-5-pyridin-4-yl-...)
Show SMILES Cc1cccc(NC(=O)NC2N=C(c3ccncc3)c3ccccc3N(CC(=O)c3ccccc3C)C2=O)c1
Show InChI InChI=1S/C31H27N5O3/c1-20-8-7-10-23(18-20)33-31(39)35-29-30(38)36(19-27(37)24-11-4-3-9-21(24)2)26-13-6-5-12-25(26)28(34-29)22-14-16-32-17-15-22/h3-18,29H,19H2,1-2H3,(H2,33,35,39)
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n/an/a 18n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity towards gastrin/Cholecystokinin type B receptor from rat brain using [125I]-CCK-8 as the radioligand


Bioorg Med Chem Lett 6: 55-58 (1996)


Article DOI: 10.1016/0960-894X(95)00557-A
BindingDB Entry DOI: 10.7270/Q2CJ8DGT
More data for this
Ligand-Target Pair
CCKBR


(RAT)
BDBM50286901
PNG
(1-[1-(3,3-Dimethyl-2-oxo-butyl)-5-(1H-imidazol-4-y...)
Show SMILES Cc1cccc(NC(=O)NC2N=C(c3cnc[nH]3)c3ccccc3N(CC(=O)C(C)(C)C)C2=O)c1
Show InChI InChI=1S/C26H28N6O3/c1-16-8-7-9-17(12-16)29-25(35)31-23-24(34)32(14-21(33)26(2,3)4)20-11-6-5-10-18(20)22(30-23)19-13-27-15-28-19/h5-13,15,23H,14H2,1-4H3,(H,27,28)(H2,29,31,35)
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n/an/a 26n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity towards gastrin/Cholecystokinin type B receptor from rat brain using [125I]-CCK-8 as the radioligand


Bioorg Med Chem Lett 6: 55-58 (1996)


Article DOI: 10.1016/0960-894X(95)00557-A
BindingDB Entry DOI: 10.7270/Q2CJ8DGT
More data for this
Ligand-Target Pair
CCKBR


(RAT)
BDBM50286902
PNG
(1-[1-(2-Cyclopentyl-2-oxo-ethyl)-2-oxo-5-pyridin-4...)
Show SMILES Cc1cccc(NC(=O)NC2N=C(c3ccncc3)c3ccccc3N(CC(=O)C3CCCC3)C2=O)c1
Show InChI InChI=1S/C29H29N5O3/c1-19-7-6-10-22(17-19)31-29(37)33-27-28(36)34(18-25(35)20-8-2-3-9-20)24-12-5-4-11-23(24)26(32-27)21-13-15-30-16-14-21/h4-7,10-17,20,27H,2-3,8-9,18H2,1H3,(H2,31,33,37)
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n/an/a 48n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity towards gastrin/Cholecystokinin type B receptor from rat brain using [125I]-CCK-8 as the radioligand


Bioorg Med Chem Lett 6: 55-58 (1996)


Article DOI: 10.1016/0960-894X(95)00557-A
BindingDB Entry DOI: 10.7270/Q2CJ8DGT
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(RAT)
BDBM50286900
PNG
(1-[1-(2-Cyclopentyl-2-oxo-ethyl)-2-oxo-5-pyridin-3...)
Show SMILES Cc1cccc(NC(=O)NC2N=C(c3cccnc3)c3ccccc3N(CC(=O)C3CCCC3)C2=O)c1
Show InChI InChI=1S/C29H29N5O3/c1-19-8-6-12-22(16-19)31-29(37)33-27-28(36)34(18-25(35)20-9-2-3-10-20)24-14-5-4-13-23(24)26(32-27)21-11-7-15-30-17-21/h4-8,11-17,20,27H,2-3,9-10,18H2,1H3,(H2,31,33,37)
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n/an/a 80n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity towards Cholecystokinin type A receptor from rat pancreas using [I125]-L-364,718 as the radioligand


Bioorg Med Chem Lett 6: 55-58 (1996)


Article DOI: 10.1016/0960-894X(95)00557-A
BindingDB Entry DOI: 10.7270/Q2CJ8DGT
More data for this
Ligand-Target Pair
CCKBR


(RAT)
BDBM50286895
PNG
(1-(3,3-Dimethyl-2-oxo-butyl)-5-(1H-pyrazol-3-yl)-3...)
Show SMILES Cc1cccc(NCNC2N=C(c3ccn[nH]3)c3ccccc3N(CC(=O)C(C)(C)C)C2=O)c1
Show InChI InChI=1S/C26H30N6O2/c1-17-8-7-9-18(14-17)27-16-28-24-25(34)32(15-22(33)26(2,3)4)21-11-6-5-10-19(21)23(30-24)20-12-13-29-31-20/h5-14,24,27-28H,15-16H2,1-4H3,(H,29,31)
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n/an/a>100n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity towards gastrin/Cholecystokinin type B receptor from rat brain using [125I]-CCK-8 as the radioligand


Bioorg Med Chem Lett 6: 55-58 (1996)


Article DOI: 10.1016/0960-894X(95)00557-A
BindingDB Entry DOI: 10.7270/Q2CJ8DGT
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(RAT)
BDBM50286895
PNG
(1-(3,3-Dimethyl-2-oxo-butyl)-5-(1H-pyrazol-3-yl)-3...)
Show SMILES Cc1cccc(NCNC2N=C(c3ccn[nH]3)c3ccccc3N(CC(=O)C(C)(C)C)C2=O)c1
Show InChI InChI=1S/C26H30N6O2/c1-17-8-7-9-18(14-17)27-16-28-24-25(34)32(15-22(33)26(2,3)4)21-11-6-5-10-19(21)23(30-24)20-12-13-29-31-20/h5-14,24,27-28H,15-16H2,1-4H3,(H,29,31)
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n/an/a 105n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity towards Cholecystokinin type A receptor from rat pancreas using [I125]-L-364,718 as the radioligand


Bioorg Med Chem Lett 6: 55-58 (1996)


Article DOI: 10.1016/0960-894X(95)00557-A
BindingDB Entry DOI: 10.7270/Q2CJ8DGT
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(RAT)
BDBM50056097
PNG
(1-[(R)-1-(3,3-Dimethyl-2-oxo-butyl)-2-oxo-5-phenyl...)
Show SMILES Cc1cccc(NC(=O)N[C@@H]2N=C(c3ccccc3)c3ccccc3N(CC(=O)C(C)(C)C)C2=O)c1
Show InChI InChI=1S/C29H30N4O3/c1-19-11-10-14-21(17-19)30-28(36)32-26-27(35)33(18-24(34)29(2,3)4)23-16-9-8-15-22(23)25(31-26)20-12-6-5-7-13-20/h5-17,26H,18H2,1-4H3,(H2,30,32,36)/t26-/m0/s1
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n/an/a 111n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity towards Cholecystokinin type A receptor from rat pancreas using [I125]-L-364,718 as the radioligand


Bioorg Med Chem Lett 6: 55-58 (1996)


Article DOI: 10.1016/0960-894X(95)00557-A
BindingDB Entry DOI: 10.7270/Q2CJ8DGT
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(RAT)
BDBM50056101
PNG
(1-[(R)-2-Oxo-1-(2-oxo-2-o-tolyl-ethyl)-5-phenyl-2,...)
Show SMILES Cc1cccc(NC(=O)N[C@@H]2N=C(c3ccccc3)c3ccccc3N(CC(=O)c3ccccc3C)C2=O)c1
Show InChI InChI=1S/C32H28N4O3/c1-21-11-10-15-24(19-21)33-32(39)35-30-31(38)36(20-28(37)25-16-7-6-12-22(25)2)27-18-9-8-17-26(27)29(34-30)23-13-4-3-5-14-23/h3-19,30H,20H2,1-2H3,(H2,33,35,39)/t30-/m0/s1
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n/an/a 146n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity towards Cholecystokinin type A receptor from rat pancreas using [I125]-L-364,718 as the radioligand


Bioorg Med Chem Lett 6: 55-58 (1996)


Article DOI: 10.1016/0960-894X(95)00557-A
BindingDB Entry DOI: 10.7270/Q2CJ8DGT
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(RAT)
BDBM50286901
PNG
(1-[1-(3,3-Dimethyl-2-oxo-butyl)-5-(1H-imidazol-4-y...)
Show SMILES Cc1cccc(NC(=O)NC2N=C(c3cnc[nH]3)c3ccccc3N(CC(=O)C(C)(C)C)C2=O)c1
Show InChI InChI=1S/C26H28N6O3/c1-16-8-7-9-17(12-16)29-25(35)31-23-24(34)32(14-21(33)26(2,3)4)20-11-6-5-10-18(20)22(30-23)19-13-27-15-28-19/h5-13,15,23H,14H2,1-4H3,(H,27,28)(H2,29,31,35)
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n/an/a 232n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity towards Cholecystokinin type A receptor from rat pancreas using [I125]-L-364,718 as the radioligand


Bioorg Med Chem Lett 6: 55-58 (1996)


Article DOI: 10.1016/0960-894X(95)00557-A
BindingDB Entry DOI: 10.7270/Q2CJ8DGT
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(RAT)
BDBM50286896
PNG
(1-(3,3-Dimethyl-2-oxo-butyl)-5-thiazol-2-yl-3-[(m-...)
Show SMILES Cc1cccc(NCNC2N=C(c3nccs3)c3ccccc3N(CC(=O)C(C)(C)C)C2=O)c1
Show InChI InChI=1S/C26H29N5O2S/c1-17-8-7-9-18(14-17)28-16-29-23-25(33)31(15-21(32)26(2,3)4)20-11-6-5-10-19(20)22(30-23)24-27-12-13-34-24/h5-14,23,28-29H,15-16H2,1-4H3
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n/an/a 433n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity towards Cholecystokinin type A receptor from rat pancreas using [I125]-L-364,718 as the radioligand


Bioorg Med Chem Lett 6: 55-58 (1996)


Article DOI: 10.1016/0960-894X(95)00557-A
BindingDB Entry DOI: 10.7270/Q2CJ8DGT
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(RAT)
BDBM50056096
PNG
(1-[(R)-1-(3,3-Dimethyl-2-oxo-butyl)-2-oxo-5-pyridi...)
Show SMILES Cc1cccc(NC(=O)N[C@@H]2N=C(c3ccccn3)c3ccccc3N(CC(=O)C(C)(C)C)C2=O)c1
Show InChI InChI=1S/C28H29N5O3/c1-18-10-9-11-19(16-18)30-27(36)32-25-26(35)33(17-23(34)28(2,3)4)22-14-6-5-12-20(22)24(31-25)21-13-7-8-15-29-21/h5-16,25H,17H2,1-4H3,(H2,30,32,36)/t25-/m0/s1
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n/an/a 470n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity towards Cholecystokinin type A receptor from rat pancreas using [I125]-L-364,718 as the radioligand


Bioorg Med Chem Lett 6: 55-58 (1996)


Article DOI: 10.1016/0960-894X(95)00557-A
BindingDB Entry DOI: 10.7270/Q2CJ8DGT
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(RAT)
BDBM50286894
PNG
(1-[2-Oxo-1-(2-oxo-2-o-tolyl-ethyl)-5-pyridin-4-yl-...)
Show SMILES Cc1cccc(NC(=O)NC2N=C(c3ccncc3)c3ccccc3N(CC(=O)c3ccccc3C)C2=O)c1
Show InChI InChI=1S/C31H27N5O3/c1-20-8-7-10-23(18-20)33-31(39)35-29-30(38)36(19-27(37)24-11-4-3-9-21(24)2)26-13-6-5-12-25(26)28(34-29)22-14-16-32-17-15-22/h3-18,29H,19H2,1-2H3,(H2,33,35,39)
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n/an/a 670n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity towards Cholecystokinin type A receptor from rat pancreas using [I125]-L-364,718 as the radioligand


Bioorg Med Chem Lett 6: 55-58 (1996)


Article DOI: 10.1016/0960-894X(95)00557-A
BindingDB Entry DOI: 10.7270/Q2CJ8DGT
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(RAT)
BDBM50286898
PNG
(1-[1-(3,3-Dimethyl-2-oxo-butyl)-5-(1-methyl-1H-imi...)
Show SMILES Cc1cccc(NC(=O)NC2N=C(c3nccn3C)c3ccccc3N(CC(=O)C(C)(C)C)C2=O)c1
Show InChI InChI=1S/C27H30N6O3/c1-17-9-8-10-18(15-17)29-26(36)31-23-25(35)33(16-21(34)27(2,3)4)20-12-7-6-11-19(20)22(30-23)24-28-13-14-32(24)5/h6-15,23H,16H2,1-5H3,(H2,29,31,36)
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n/an/a 844n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity towards Cholecystokinin type A receptor from rat pancreas using [I125]-L-364,718 as the radioligand


Bioorg Med Chem Lett 6: 55-58 (1996)


Article DOI: 10.1016/0960-894X(95)00557-A
BindingDB Entry DOI: 10.7270/Q2CJ8DGT
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(RAT)
BDBM50286897
PNG
(1-[2-Oxo-1-(2-oxo-2-o-tolyl-ethyl)-5-pyridin-2-yl-...)
Show SMILES Cc1cccc(NC(=O)NC2N=C(c3ccccn3)c3ccccc3N(CC(=O)c3ccccc3C)C2=O)c1
Show InChI InChI=1S/C31H27N5O3/c1-20-10-9-12-22(18-20)33-31(39)35-29-30(38)36(19-27(37)23-13-4-3-11-21(23)2)26-16-6-5-14-24(26)28(34-29)25-15-7-8-17-32-25/h3-18,29H,19H2,1-2H3,(H2,33,35,39)
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n/an/a 980n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity towards Cholecystokinin type A receptor from rat pancreas using [I125]-L-364,718 as the radioligand


Bioorg Med Chem Lett 6: 55-58 (1996)


Article DOI: 10.1016/0960-894X(95)00557-A
BindingDB Entry DOI: 10.7270/Q2CJ8DGT
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(RAT)
BDBM50286904
PNG
(1-[1-(3,3-Dimethyl-2-oxo-butyl)-2-oxo-5-pyrazin-2-...)
Show SMILES Cc1cccc(NC(=O)NC2N=C(c3cnccn3)c3ccccc3N(CC(=O)C(C)(C)C)C2=O)c1
Show InChI InChI=1S/C27H28N6O3/c1-17-8-7-9-18(14-17)30-26(36)32-24-25(35)33(16-22(34)27(2,3)4)21-11-6-5-10-19(21)23(31-24)20-15-28-12-13-29-20/h5-15,24H,16H2,1-4H3,(H2,30,32,36)
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n/an/a 1.36E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity towards Cholecystokinin type A receptor from rat pancreas using [I125]-L-364,718 as the radioligand


Bioorg Med Chem Lett 6: 55-58 (1996)


Article DOI: 10.1016/0960-894X(95)00557-A
BindingDB Entry DOI: 10.7270/Q2CJ8DGT
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(RAT)
BDBM50286903
PNG
(1-[1-(2-Cyclopentyl-2-oxo-ethyl)-2-oxo-5-pyridin-2...)
Show SMILES Cc1cccc(NC(=O)NC2N=C(c3ccccn3)c3ccccc3N(CC(=O)C3CCCC3)C2=O)c1
Show InChI InChI=1S/C29H29N5O3/c1-19-9-8-12-21(17-19)31-29(37)33-27-28(36)34(18-25(35)20-10-2-3-11-20)24-15-5-4-13-22(24)26(32-27)23-14-6-7-16-30-23/h4-9,12-17,20,27H,2-3,10-11,18H2,1H3,(H2,31,33,37)
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n/an/a 2.60E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity towards Cholecystokinin type A receptor from rat pancreas using [I125]-L-364,718 as the radioligand


Bioorg Med Chem Lett 6: 55-58 (1996)


Article DOI: 10.1016/0960-894X(95)00557-A
BindingDB Entry DOI: 10.7270/Q2CJ8DGT
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(RAT)
BDBM50286899
PNG
(1-[1-(3,3-Dimethyl-2-oxo-butyl)-5-(1H-imidazol-2-y...)
Show SMILES Cc1cccc(NC(=O)NC2N=C(c3ncc[nH]3)c3ccccc3N(CC(=O)C(C)(C)C)C2=O)c1
Show InChI InChI=1S/C26H28N6O3/c1-16-8-7-9-17(14-16)29-25(35)31-23-24(34)32(15-20(33)26(2,3)4)19-11-6-5-10-18(19)21(30-23)22-27-12-13-28-22/h5-14,23H,15H2,1-4H3,(H,27,28)(H2,29,31,35)
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n/an/a 2.62E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity towards Cholecystokinin type A receptor from rat pancreas using [I125]-L-364,718 as the radioligand


Bioorg Med Chem Lett 6: 55-58 (1996)


Article DOI: 10.1016/0960-894X(95)00557-A
BindingDB Entry DOI: 10.7270/Q2CJ8DGT
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(RAT)
BDBM50286902
PNG
(1-[1-(2-Cyclopentyl-2-oxo-ethyl)-2-oxo-5-pyridin-4...)
Show SMILES Cc1cccc(NC(=O)NC2N=C(c3ccncc3)c3ccccc3N(CC(=O)C3CCCC3)C2=O)c1
Show InChI InChI=1S/C29H29N5O3/c1-19-7-6-10-22(17-19)31-29(37)33-27-28(36)34(18-25(35)20-8-2-3-9-20)24-12-5-4-11-23(24)26(32-27)21-13-15-30-16-14-21/h4-7,10-17,20,27H,2-3,8-9,18H2,1H3,(H2,31,33,37)
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n/an/a>1.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity towards Cholecystokinin type A receptor from rat pancreas using [I125]-L-364,718 as the radioligand


Bioorg Med Chem Lett 6: 55-58 (1996)


Article DOI: 10.1016/0960-894X(95)00557-A
BindingDB Entry DOI: 10.7270/Q2CJ8DGT
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%