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22 similar compounds to monomer 50056091

Compile data set for download or QSAR
Wt: 429.4
BDBM50043495
Wt: 511.5
BDBM50056085
Wt: 493.5
BDBM50056088
Wt: 537.6
BDBM50056089
Wt: 539.6
BDBM50056092
Wt: 497.5
BDBM50056093
Wt: 483.5
BDBM50056094
Wt: 482.5
BDBM50056097
Wt: 511.6
BDBM50056098
Wt: 468.5
BDBM50286881
Wt: 494.5
BDBM50286882
Wt: 496.6
BDBM50286883
Wt: 508.6
BDBM50286884
Wt: 480.5
BDBM50286885
Wt: 522.6
BDBM50286886
Displayed 1 to 15 (of 22 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 35 hits for monomerid = 50043495,50056085,50056088,50056089,50056092,50056093,50056094,50056097,50056098,50286881,50286882,50286883,50286884,50286885,50286886   
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
Cholecystokinin receptor


(RAT)
BDBM50056085
PNG
(CHEMBL325746 | N-(3-{3-[1-(3,3-Dimethyl-2-oxo-buty...)
Show SMILES CC(C)(C)C(=O)CN1c2ccccc2C(=NC(NC(=O)Nc2cccc(NC=O)c2)C1=O)c1ccccc1
Show InChI InChI=1S/C29H29N5O4/c1-29(2,3)24(36)17-34-23-15-8-7-14-22(23)25(19-10-5-4-6-11-19)32-26(27(34)37)33-28(38)31-21-13-9-12-20(16-21)30-18-35/h4-16,18,26H,17H2,1-3H3,(H,30,35)(H2,31,33,38)
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n/an/a 561n/an/an/an/an/an/a



Ferring Research Institute

Curated by ChEMBL


Assay Description
Inhibitory concentration against radioligand [3 H]L-364,718 binding to gastrin/Cholecystokinin type A receptor from rat pancreas


J Med Chem 40: 331-41 (1997)


Article DOI: 10.1021/jm960669+
BindingDB Entry DOI: 10.7270/Q2VM4BBQ
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(RAT)
BDBM50043495
PNG
(1-(1-Methyl-2-oxo-5-phenyl-2,3-dihydro-1H-benzo[e]...)
Show SMILES CN1c2ccccc2C(=NC(NC(=O)Nc2cccc(c2)[N+]([O-])=O)C1=O)c1ccccc1
Show InChI InChI=1S/C23H19N5O4/c1-27-19-13-6-5-12-18(19)20(15-8-3-2-4-9-15)25-21(22(27)29)26-23(30)24-16-10-7-11-17(14-16)28(31)32/h2-14,21H,1H3,(H2,24,26,30)
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n/an/a 34n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of binding of [125I]CCK-8 to cholecystokinin type A receptor in rat pancreatic tissue


J Med Chem 36: 4276-92 (1994)


Article DOI: 10.1021/jm00078a018
BindingDB Entry DOI: 10.7270/Q22J6CH9
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(RAT)
BDBM50056088
PNG
(1-(3-Cyano-phenyl)-3-[1-(3,3-dimethyl-2-oxo-butyl)...)
Show SMILES CC(C)(C)C(=O)CN1c2ccccc2C(=NC(NC(=O)Nc2cccc(c2)C#N)C1=O)c1ccccc1
Show InChI InChI=1S/C29H27N5O3/c1-29(2,3)24(35)18-34-23-15-8-7-14-22(23)25(20-11-5-4-6-12-20)32-26(27(34)36)33-28(37)31-21-13-9-10-19(16-21)17-30/h4-16,26H,18H2,1-3H3,(H2,31,33,37)
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Ferring Research Institute

Curated by ChEMBL


Assay Description
Inhibitory concentration against radioligand [3 H]L-364,718 binding to gastrin/Cholecystokinin type A receptor from rat pancreas


J Med Chem 40: 331-41 (1997)


Article DOI: 10.1021/jm960669+
BindingDB Entry DOI: 10.7270/Q2VM4BBQ
More data for this
Ligand-Target Pair
CCKBR


(RAT)
BDBM50056089
PNG
(1-[(R)-1-(3,3-Dimethyl-2-oxo-butyl)-2-oxo-5-phenyl...)
Show SMILES CC(C)(C)C(=O)CN1c2ccccc2C(=N[C@@H](NC(=O)Nc2cccc(c2)N2CCCC2)C1=O)c1ccccc1
Show InChI InChI=1S/C32H35N5O3/c1-32(2,3)27(38)21-37-26-17-8-7-16-25(26)28(22-12-5-4-6-13-22)34-29(30(37)39)35-31(40)33-23-14-11-15-24(20-23)36-18-9-10-19-36/h4-8,11-17,20,29H,9-10,18-19,21H2,1-3H3,(H2,33,35,40)/t29-/m0/s1
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n/an/a 0.170n/an/an/an/an/an/a



Ferring Research Institute

Curated by ChEMBL


Assay Description
Inhibitory concentration against radioligand [125I]-CCK-8 binding to gastrin/Cholecystokinin type B receptor from rat brain


J Med Chem 40: 331-41 (1997)


Article DOI: 10.1021/jm960669+
BindingDB Entry DOI: 10.7270/Q2VM4BBQ
More data for this
Ligand-Target Pair
CCKBR


(RAT)
BDBM50056085
PNG
(CHEMBL325746 | N-(3-{3-[1-(3,3-Dimethyl-2-oxo-buty...)
Show SMILES CC(C)(C)C(=O)CN1c2ccccc2C(=NC(NC(=O)Nc2cccc(NC=O)c2)C1=O)c1ccccc1
Show InChI InChI=1S/C29H29N5O4/c1-29(2,3)24(36)17-34-23-15-8-7-14-22(23)25(19-10-5-4-6-11-19)32-26(27(34)37)33-28(38)31-21-13-9-12-20(16-21)30-18-35/h4-16,18,26H,17H2,1-3H3,(H,30,35)(H2,31,33,38)
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n/an/a 0.590n/an/an/an/an/an/a



Ferring Research Institute

Curated by ChEMBL


Assay Description
Inhibitory concentration against radioligand [125I]-CCK-8 binding to gastrin/Cholecystokinin type B receptor from rat brain


J Med Chem 40: 331-41 (1997)


Article DOI: 10.1021/jm960669+
BindingDB Entry DOI: 10.7270/Q2VM4BBQ
More data for this
Ligand-Target Pair
CCKBR


(RAT)
BDBM50056092
PNG
(1-(3-Diethylamino-phenyl)-3-[(R)-1-(3,3-dimethyl-2...)
Show SMILES CCN(CC)c1cccc(NC(=O)N[C@@H]2N=C(c3ccccc3)c3ccccc3N(CC(=O)C(C)(C)C)C2=O)c1
Show InChI InChI=1S/C32H37N5O3/c1-6-36(7-2)24-17-13-16-23(20-24)33-31(40)35-29-30(39)37(21-27(38)32(3,4)5)26-19-12-11-18-25(26)28(34-29)22-14-9-8-10-15-22/h8-20,29H,6-7,21H2,1-5H3,(H2,33,35,40)/t29-/m0/s1
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n/an/a 0.140n/an/an/an/an/an/a



Ferring Research Institute

Curated by ChEMBL


Assay Description
Inhibitory concentration against radioligand [125I]-CCK-8 binding to gastrin/Cholecystokinin type B receptor from rat brain


J Med Chem 40: 331-41 (1997)


Article DOI: 10.1021/jm960669+
BindingDB Entry DOI: 10.7270/Q2VM4BBQ
More data for this
Ligand-Target Pair
CCKBR


(RAT)
BDBM50056094
PNG
(1-(3-Amino-phenyl)-3-[(R)-1-(3,3-dimethyl-2-oxo-bu...)
Show SMILES CC(C)(C)C(=O)CN1c2ccccc2C(=N[C@@H](NC(=O)Nc2cccc(N)c2)C1=O)c1ccccc1
Show InChI InChI=1S/C28H29N5O3/c1-28(2,3)23(34)17-33-22-15-8-7-14-21(22)24(18-10-5-4-6-11-18)31-25(26(33)35)32-27(36)30-20-13-9-12-19(29)16-20/h4-16,25H,17,29H2,1-3H3,(H2,30,32,36)/t25-/m0/s1
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n/an/a 0.5n/an/an/an/an/an/a



Ferring Research Institute

Curated by ChEMBL


Assay Description
Inhibitory concentration against radioligand [125I]-CCK-8 binding to gastrin/Cholecystokinin type B receptor from rat brain


J Med Chem 40: 331-41 (1997)


Article DOI: 10.1021/jm960669+
BindingDB Entry DOI: 10.7270/Q2VM4BBQ
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(RAT)
BDBM50056092
PNG
(1-(3-Diethylamino-phenyl)-3-[(R)-1-(3,3-dimethyl-2...)
Show SMILES CCN(CC)c1cccc(NC(=O)N[C@@H]2N=C(c3ccccc3)c3ccccc3N(CC(=O)C(C)(C)C)C2=O)c1
Show InChI InChI=1S/C32H37N5O3/c1-6-36(7-2)24-17-13-16-23(20-24)33-31(40)35-29-30(39)37(21-27(38)32(3,4)5)26-19-12-11-18-25(26)28(34-29)22-14-9-8-10-15-22/h8-20,29H,6-7,21H2,1-5H3,(H2,33,35,40)/t29-/m0/s1
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n/an/a 558n/an/an/an/an/an/a



Ferring Research Institute

Curated by ChEMBL


Assay Description
Inhibitory concentration against radioligand [3 H]L-364,718 binding to gastrin/Cholecystokinin type A receptor from rat pancreas


J Med Chem 40: 331-41 (1997)


Article DOI: 10.1021/jm960669+
BindingDB Entry DOI: 10.7270/Q2VM4BBQ
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(RAT)
BDBM50056093
PNG
(1-[(R)-1-(3,3-Dimethyl-2-oxo-butyl)-2-oxo-5-phenyl...)
Show SMILES CNc1cccc(NC(=O)N[C@@H]2N=C(c3ccccc3)c3ccccc3N(CC(=O)C(C)(C)C)C2=O)c1
Show InChI InChI=1S/C29H31N5O3/c1-29(2,3)24(35)18-34-23-16-9-8-15-22(23)25(19-11-6-5-7-12-19)32-26(27(34)36)33-28(37)31-21-14-10-13-20(17-21)30-4/h5-17,26,30H,18H2,1-4H3,(H2,31,33,37)/t26-/m0/s1
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n/an/a 120n/an/an/an/an/an/a



Ferring Research Institute

Curated by ChEMBL


Assay Description
Inhibitory concentration against radioligand [3 H]L-364,718 binding to gastrin/Cholecystokinin type A receptor from rat pancreas


J Med Chem 40: 331-41 (1997)


Article DOI: 10.1021/jm960669+
BindingDB Entry DOI: 10.7270/Q2VM4BBQ
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



Ferring Research Institute

Curated by ChEMBL


Assay Description
Inhibitory concentration against radioligand [125I]-CCK-8 binding to gastrin/Cholecystokinin type B receptor from rat brain


J Med Chem 40: 331-41 (1997)


Article DOI: 10.1021/jm960669+
BindingDB Entry DOI: 10.7270/Q2VM4BBQ
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(RAT)
BDBM50056098
PNG
(1-(3-Dimethylamino-phenyl)-3-[(R)-1-(3,3-dimethyl-...)
Show SMILES CN(C)c1cccc(NC(=O)N[C@@H]2N=C(c3ccccc3)c3ccccc3N(CC(=O)C(C)(C)C)C2=O)c1
Show InChI InChI=1S/C30H33N5O3/c1-30(2,3)25(36)19-35-24-17-10-9-16-23(24)26(20-12-7-6-8-13-20)32-27(28(35)37)33-29(38)31-21-14-11-15-22(18-21)34(4)5/h6-18,27H,19H2,1-5H3,(H2,31,33,38)/t27-/m0/s1
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n/an/a 89n/an/an/an/an/an/a



Ferring Research Institute

Curated by ChEMBL


Assay Description
Inhibitory concentration against radioligand [3 H]L-364,718 binding to gastrin/Cholecystokinin type A receptor from rat pancreas


J Med Chem 40: 331-41 (1997)


Article DOI: 10.1021/jm960669+
BindingDB Entry DOI: 10.7270/Q2VM4BBQ
More data for this
Ligand-Target Pair
CCKBR


(RAT)
BDBM50056093
PNG
(1-[(R)-1-(3,3-Dimethyl-2-oxo-butyl)-2-oxo-5-phenyl...)
Show SMILES CNc1cccc(NC(=O)N[C@@H]2N=C(c3ccccc3)c3ccccc3N(CC(=O)C(C)(C)C)C2=O)c1
Show InChI InChI=1S/C29H31N5O3/c1-29(2,3)24(35)18-34-23-16-9-8-15-22(23)25(19-11-6-5-7-12-19)32-26(27(34)36)33-28(37)31-21-14-10-13-20(17-21)30-4/h5-17,26,30H,18H2,1-4H3,(H2,31,33,37)/t26-/m0/s1
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n/an/a 0.110n/an/an/an/an/an/a



Ferring Research Institute

Curated by ChEMBL


Assay Description
Inhibitory concentration against radioligand [125I]-CCK-8 binding to gastrin/Cholecystokinin type B receptor from rat brain


J Med Chem 40: 331-41 (1997)


Article DOI: 10.1021/jm960669+
BindingDB Entry DOI: 10.7270/Q2VM4BBQ
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



Ferring Research Institute

Curated by ChEMBL


Assay Description
Inhibitory concentration against radioligand [3 H]L-364,718 binding to gastrin/Cholecystokinin type A receptor from rat pancreas


J Med Chem 40: 331-41 (1997)


Article DOI: 10.1021/jm960669+
BindingDB Entry DOI: 10.7270/Q2VM4BBQ
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(RAT)
BDBM50056089
PNG
(1-[(R)-1-(3,3-Dimethyl-2-oxo-butyl)-2-oxo-5-phenyl...)
Show SMILES CC(C)(C)C(=O)CN1c2ccccc2C(=N[C@@H](NC(=O)Nc2cccc(c2)N2CCCC2)C1=O)c1ccccc1
Show InChI InChI=1S/C32H35N5O3/c1-32(2,3)27(38)21-37-26-17-8-7-16-25(26)28(22-12-5-4-6-13-22)34-29(30(37)39)35-31(40)33-23-14-11-15-24(20-23)36-18-9-10-19-36/h4-8,11-17,20,29H,9-10,18-19,21H2,1-3H3,(H2,33,35,40)/t29-/m0/s1
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n/an/a 157n/an/an/an/an/an/a



Ferring Research Institute

Curated by ChEMBL


Assay Description
Inhibitory concentration against radioligand [3 H]L-364,718 binding to gastrin/Cholecystokinin type A receptor from rat pancreas


J Med Chem 40: 331-41 (1997)


Article DOI: 10.1021/jm960669+
BindingDB Entry DOI: 10.7270/Q2VM4BBQ
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(RAT)
BDBM50056094
PNG
(1-(3-Amino-phenyl)-3-[(R)-1-(3,3-dimethyl-2-oxo-bu...)
Show SMILES CC(C)(C)C(=O)CN1c2ccccc2C(=N[C@@H](NC(=O)Nc2cccc(N)c2)C1=O)c1ccccc1
Show InChI InChI=1S/C28H29N5O3/c1-28(2,3)23(34)17-33-22-15-8-7-14-21(22)24(18-10-5-4-6-11-18)31-25(26(33)35)32-27(36)30-20-13-9-12-19(29)16-20/h4-16,25H,17,29H2,1-3H3,(H2,30,32,36)/t25-/m0/s1
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n/an/a 953n/an/an/an/an/an/a



Ferring Research Institute

Curated by ChEMBL


Assay Description
Inhibitory concentration against radioligand [3 H]L-364,718 binding to gastrin/Cholecystokinin type A receptor from rat pancreas


J Med Chem 40: 331-41 (1997)


Article DOI: 10.1021/jm960669+
BindingDB Entry DOI: 10.7270/Q2VM4BBQ
More data for this
Ligand-Target Pair
CCKBR


(RAT)
BDBM50056098
PNG
(1-(3-Dimethylamino-phenyl)-3-[(R)-1-(3,3-dimethyl-...)
Show SMILES CN(C)c1cccc(NC(=O)N[C@@H]2N=C(c3ccccc3)c3ccccc3N(CC(=O)C(C)(C)C)C2=O)c1
Show InChI InChI=1S/C30H33N5O3/c1-30(2,3)25(36)19-35-24-17-10-9-16-23(24)26(20-12-7-6-8-13-20)32-27(28(35)37)33-29(38)31-21-14-11-15-22(18-21)34(4)5/h6-18,27H,19H2,1-5H3,(H2,31,33,38)/t27-/m0/s1
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n/an/a 0.210n/an/an/an/an/an/a



Ferring Research Institute

Curated by ChEMBL


Assay Description
Inhibitory concentration against radioligand [125I]-CCK-8 binding to gastrin/Cholecystokinin type B receptor from rat brain


J Med Chem 40: 331-41 (1997)


Article DOI: 10.1021/jm960669+
BindingDB Entry DOI: 10.7270/Q2VM4BBQ
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(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 6.10n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to displace [125I]-CCK-8 from gastrin/Cholecystokinin type B receptor from rat brain


Bioorg Med Chem Lett 6: 51-54 (1996)


Article DOI: 10.1016/0960-894X(95)00556-9
BindingDB Entry DOI: 10.7270/Q2H99553
More data for this
Ligand-Target Pair
CCKBR


(RAT)
BDBM50286881
PNG
(1-[1-(3-Methyl-2-oxo-butyl)-2-oxo-5-phenyl-2,3-dih...)
Show SMILES CC(C)C(=O)CN1c2ccccc2C(=NC(NC(=O)Nc2cccc(C)c2)C1=O)c1ccccc1
Show InChI InChI=1S/C28H28N4O3/c1-18(2)24(33)17-32-23-15-8-7-14-22(23)25(20-11-5-4-6-12-20)30-26(27(32)34)31-28(35)29-21-13-9-10-19(3)16-21/h4-16,18,26H,17H2,1-3H3,(H2,29,31,35)
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n/an/a 2.10n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to displace [125I]-CCK-8 from gastrin/Cholecystokinin type B receptor from rat brain


Bioorg Med Chem Lett 6: 51-54 (1996)


Article DOI: 10.1016/0960-894X(95)00556-9
BindingDB Entry DOI: 10.7270/Q2H99553
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(Homo sapiens (human))
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 2.50E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for its ability to displace [3H]-L-364,718 from Cholecystokinin type A receptor from rat pancreas


Bioorg Med Chem Lett 6: 51-54 (1996)


Article DOI: 10.1016/0960-894X(95)00556-9
BindingDB Entry DOI: 10.7270/Q2H99553
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(Homo sapiens (human))
BDBM50286883
PNG
(1-[1-(3,3-Dimethyl-2-oxo-pentyl)-2-oxo-5-phenyl-2,...)
Show SMILES CCC(C)(C)C(=O)CN1c2ccccc2C(=NC(NC(=O)Nc2cccc(C)c2)C1=O)c1ccccc1
Show InChI InChI=1S/C30H32N4O3/c1-5-30(3,4)25(35)19-34-24-17-10-9-16-23(24)26(21-13-7-6-8-14-21)32-27(28(34)36)33-29(37)31-22-15-11-12-20(2)18-22/h6-18,27H,5,19H2,1-4H3,(H2,31,33,37)
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n/an/a 720n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for its ability to displace [3H]-L-364,718 from Cholecystokinin type A receptor from rat pancreas


Bioorg Med Chem Lett 6: 51-54 (1996)


Article DOI: 10.1016/0960-894X(95)00556-9
BindingDB Entry DOI: 10.7270/Q2H99553
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
Ability to displace [125I]-CCK-8 from gastrin/Cholecystokinin type B receptor from rat brain


Bioorg Med Chem Lett 6: 51-54 (1996)


Article DOI: 10.1016/0960-894X(95)00556-9
BindingDB Entry DOI: 10.7270/Q2H99553
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(Homo sapiens (human))
BDBM50286884
PNG
(1-{1-[2-(1-Methyl-cyclopentyl)-2-oxo-ethyl]-2-oxo-...)
Show SMILES Cc1cccc(NC(=O)NC2N=C(c3ccccc3)c3ccccc3N(CC(=O)C3(C)CCCC3)C2=O)c1
Show InChI InChI=1S/C31H32N4O3/c1-21-11-10-14-23(19-21)32-30(38)34-28-29(37)35(20-26(36)31(2)17-8-9-18-31)25-16-7-6-15-24(25)27(33-28)22-12-4-3-5-13-22/h3-7,10-16,19,28H,8-9,17-18,20H2,1-2H3,(H2,32,34,38)
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n/an/a 293n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for its ability to displace [3H]-L-364,718 from Cholecystokinin type A receptor from rat pancreas


Bioorg Med Chem Lett 6: 51-54 (1996)


Article DOI: 10.1016/0960-894X(95)00556-9
BindingDB Entry DOI: 10.7270/Q2H99553
More data for this
Ligand-Target Pair
CCKBR


(RAT)
BDBM50286885
PNG
(1-{1-[2-(1-Methyl-cyclopropyl)-2-oxo-ethyl]-2-oxo-...)
Show SMILES Cc1cccc(NC(=O)NC2N=C(c3ccccc3)c3ccccc3N(CC(=O)C3(C)CC3)C2=O)c1
Show InChI InChI=1S/C29H28N4O3/c1-19-9-8-12-21(17-19)30-28(36)32-26-27(35)33(18-24(34)29(2)15-16-29)23-14-7-6-13-22(23)25(31-26)20-10-4-3-5-11-20/h3-14,17,26H,15-16,18H2,1-2H3,(H2,30,32,36)
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n/an/a 0.410n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to displace [125I]-CCK-8 from gastrin/Cholecystokinin type B receptor from rat brain


Bioorg Med Chem Lett 6: 51-54 (1996)


Article DOI: 10.1016/0960-894X(95)00556-9
BindingDB Entry DOI: 10.7270/Q2H99553
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(Homo sapiens (human))
BDBM50286881
PNG
(1-[1-(3-Methyl-2-oxo-butyl)-2-oxo-5-phenyl-2,3-dih...)
Show SMILES CC(C)C(=O)CN1c2ccccc2C(=NC(NC(=O)Nc2cccc(C)c2)C1=O)c1ccccc1
Show InChI InChI=1S/C28H28N4O3/c1-18(2)24(33)17-32-23-15-8-7-14-22(23)25(20-11-5-4-6-12-20)30-26(27(32)34)31-28(35)29-21-13-9-10-19(3)16-21/h4-16,18,26H,17H2,1-3H3,(H2,29,31,35)
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n/an/a 1.20E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for its ability to displace [3H]-L-364,718 from Cholecystokinin type A receptor from rat pancreas


Bioorg Med Chem Lett 6: 51-54 (1996)


Article DOI: 10.1016/0960-894X(95)00556-9
BindingDB Entry DOI: 10.7270/Q2H99553
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(Homo sapiens (human))
BDBM50286886
PNG
(1-[1-(3-Cyclohexyl-2-oxo-propyl)-2-oxo-5-phenyl-2,...)
Show SMILES Cc1cccc(NC(=O)NC2N=C(c3ccccc3)c3ccccc3N(CC(=O)CC3CCCCC3)C2=O)c1
Show InChI InChI=1S/C32H34N4O3/c1-22-11-10-16-25(19-22)33-32(39)35-30-31(38)36(21-26(37)20-23-12-4-2-5-13-23)28-18-9-8-17-27(28)29(34-30)24-14-6-3-7-15-24/h3,6-11,14-19,23,30H,2,4-5,12-13,20-21H2,1H3,(H2,33,35,39)
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n/an/a 480n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for its ability to displace [3H]-L-364,718 from Cholecystokinin type A receptor from rat pancreas


Bioorg Med Chem Lett 6: 51-54 (1996)


Article DOI: 10.1016/0960-894X(95)00556-9
BindingDB Entry DOI: 10.7270/Q2H99553
More data for this
Ligand-Target Pair
CCKBR


(RAT)
BDBM50286883
PNG
(1-[1-(3,3-Dimethyl-2-oxo-pentyl)-2-oxo-5-phenyl-2,...)
Show SMILES CCC(C)(C)C(=O)CN1c2ccccc2C(=NC(NC(=O)Nc2cccc(C)c2)C1=O)c1ccccc1
Show InChI InChI=1S/C30H32N4O3/c1-5-30(3,4)25(35)19-34-24-17-10-9-16-23(24)26(21-13-7-6-8-14-21)32-27(28(34)36)33-29(37)31-22-15-11-12-20(2)18-22/h6-18,27H,5,19H2,1-4H3,(H2,31,33,37)
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n/an/a 0.570n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to displace [125I]-CCK-8 from gastrin/Cholecystokinin type B receptor from rat brain


Bioorg Med Chem Lett 6: 51-54 (1996)


Article DOI: 10.1016/0960-894X(95)00556-9
BindingDB Entry DOI: 10.7270/Q2H99553
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
Ability to displace [125I]-CCK-8 from gastrin/Cholecystokinin type B receptor from rat brain


Bioorg Med Chem Lett 6: 51-54 (1996)


Article DOI: 10.1016/0960-894X(95)00556-9
BindingDB Entry DOI: 10.7270/Q2H99553
More data for this
Ligand-Target Pair
CCKBR


(RAT)
BDBM50286886
PNG
(1-[1-(3-Cyclohexyl-2-oxo-propyl)-2-oxo-5-phenyl-2,...)
Show SMILES Cc1cccc(NC(=O)NC2N=C(c3ccccc3)c3ccccc3N(CC(=O)CC3CCCCC3)C2=O)c1
Show InChI InChI=1S/C32H34N4O3/c1-22-11-10-16-25(19-22)33-32(39)35-30-31(38)36(21-26(37)20-23-12-4-2-5-13-23)28-18-9-8-17-27(28)29(34-30)24-14-6-3-7-15-24/h3,6-11,14-19,23,30H,2,4-5,12-13,20-21H2,1H3,(H2,33,35,39)
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n/an/a 0.280n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to displace [125I]-CCK-8 from gastrin/Cholecystokinin type B receptor from rat brain


Bioorg Med Chem Lett 6: 51-54 (1996)


Article DOI: 10.1016/0960-894X(95)00556-9
BindingDB Entry DOI: 10.7270/Q2H99553
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(Homo sapiens (human))
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
Compound was evaluated for its ability to displace [3H]-L-364,718 from Cholecystokinin type A receptor from rat pancreas at dose of 0.03 umol/kg


Bioorg Med Chem Lett 6: 51-54 (1996)


Article DOI: 10.1016/0960-894X(95)00556-9
BindingDB Entry DOI: 10.7270/Q2H99553
More data for this
Ligand-Target Pair
CCKBR


(RAT)
BDBM50286884
PNG
(1-{1-[2-(1-Methyl-cyclopentyl)-2-oxo-ethyl]-2-oxo-...)
Show SMILES Cc1cccc(NC(=O)NC2N=C(c3ccccc3)c3ccccc3N(CC(=O)C3(C)CCCC3)C2=O)c1
Show InChI InChI=1S/C31H32N4O3/c1-21-11-10-14-23(19-21)32-30(38)34-28-29(37)35(20-26(36)31(2)17-8-9-18-31)25-16-7-6-15-24(25)27(33-28)22-12-4-3-5-13-22/h3-7,10-16,19,28H,8-9,17-18,20H2,1-2H3,(H2,32,34,38)
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n/an/a 0.100n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to displace [125I]-CCK-8 from gastrin/Cholecystokinin type B receptor from rat brain


Bioorg Med Chem Lett 6: 51-54 (1996)


Article DOI: 10.1016/0960-894X(95)00556-9
BindingDB Entry DOI: 10.7270/Q2H99553
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
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
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
Cholecystokinin receptor


(Homo sapiens (human))
BDBM50043495
PNG
(1-(1-Methyl-2-oxo-5-phenyl-2,3-dihydro-1H-benzo[e]...)
Show SMILES CN1c2ccccc2C(=NC(NC(=O)Nc2cccc(c2)[N+]([O-])=O)C1=O)c1ccccc1
Show InChI InChI=1S/C23H19N5O4/c1-27-19-13-6-5-12-18(19)20(15-8-3-2-4-9-15)25-21(22(27)29)26-23(30)24-16-10-7-11-17(14-16)28(31)32/h2-14,21H,1H3,(H2,24,26,30)
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PubMed
n/an/a 11n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of binding of [125I]-CCK-8 to the cholecystokinin type B receptor


J Med Chem 36: 4276-92 (1994)


Article DOI: 10.1021/jm00078a018
BindingDB Entry DOI: 10.7270/Q22J6CH9
More data for this
Ligand-Target Pair
CCKBR


(RAT)
BDBM50056088
PNG
(1-(3-Cyano-phenyl)-3-[1-(3,3-dimethyl-2-oxo-butyl)...)
Show SMILES CC(C)(C)C(=O)CN1c2ccccc2C(=NC(NC(=O)Nc2cccc(c2)C#N)C1=O)c1ccccc1
Show InChI InChI=1S/C29H27N5O3/c1-29(2,3)24(35)18-34-23-15-8-7-14-22(23)25(20-11-5-4-6-12-20)32-26(27(34)36)33-28(37)31-21-13-9-10-19(16-21)17-30/h4-16,26H,18H2,1-3H3,(H2,31,33,37)
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n/an/a 1.29n/an/an/an/an/an/a



Ferring Research Institute

Curated by ChEMBL


Assay Description
Inhibitory concentration against radioligand [125I]-CCK-8 binding to gastrin/Cholecystokinin type B receptor from rat brain


J Med Chem 40: 331-41 (1997)


Article DOI: 10.1021/jm960669+
BindingDB Entry DOI: 10.7270/Q2VM4BBQ
More data for this
Ligand-Target Pair