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Compile Data Set for Download or QSAR

Found 607 hits Enz. Inhib. hit(s) with Target = 'CCKBR'   
Target
(Institution)
LigandTarget
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)
BDBM50286892
PNG
(1-[(R)-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-/m0/s1
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n/an/a 0.0700n/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


Citation and Details
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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TBA

Curated by ChEMBL


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


Citation and Details
More data for this
Ligand-Target Pair
CCKBR


(RAT)
BDBM50056102
PNG
((R)-1-(1-(3,3-dimethyl-2-oxobutyl)-2-oxo-5-(pyridi...)
Show SMILES CNc1cccc(NC(=O)N[C@@H]2N=C(c3ccccn3)c3ccccc3N(CC(=O)C(C)(C)C)C2=O)c1
Show InChI InChI=1S/C28H30N6O3/c1-28(2,3)23(35)17-34-22-14-6-5-12-20(22)24(21-13-7-8-15-30-21)32-25(26(34)36)33-27(37)31-19-11-9-10-18(16-19)29-4/h5-16,25,29H,17H2,1-4H3,(H2,31,33,37)/t25-/m0/s1
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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


Citation and Details
More data for this
Ligand-Target Pair
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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TBA

Curated by ChEMBL


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


Citation and Details
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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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


Citation and Details
More data for this
Ligand-Target Pair
CCKBR


(RAT)
BDBM50056099
PNG
(1-[(R)-1-(3,3-Dimethyl-2-oxo-butyl)-2-oxo-5-pyridi...)
Show SMILES CC(C)(C)C(=O)CN1c2ccccc2C(=N[C@@H](NC(=O)Nc2cccc(c2)N2CCCC2)C1=O)c1ccccn1
Show InChI InChI=1S/C31H34N6O3/c1-31(2,3)26(38)20-37-25-15-5-4-13-23(25)27(24-14-6-7-16-32-24)34-28(29(37)39)35-30(40)33-21-11-10-12-22(19-21)36-17-8-9-18-36/h4-7,10-16,19,28H,8-9,17-18,20H2,1-3H3,(H2,33,35,40)/t28-/m0/s1
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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


Citation and Details
More data for this
Ligand-Target Pair
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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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


Citation and Details
More data for this
Ligand-Target Pair
CCKBR


(RAT)
BDBM50056103
PNG
(1-(3-Diethylamino-phenyl)-3-[(R)-1-(3,3-dimethyl-2...)
Show SMILES CCN(CC)c1cccc(NC(=O)N[C@@H]2N=C(c3ccccn3)c3ccccc3N(CC(=O)C(C)(C)C)C2=O)c1
Show InChI InChI=1S/C31H36N6O3/c1-6-36(7-2)22-14-12-13-21(19-22)33-30(40)35-28-29(39)37(20-26(38)31(3,4)5)25-17-9-8-15-23(25)27(34-28)24-16-10-11-18-32-24/h8-19,28H,6-7,20H2,1-5H3,(H2,33,35,40)/t28-/m0/s1
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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


Citation and Details
More data for this
Ligand-Target Pair
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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TBA

Curated by ChEMBL


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


Citation and Details
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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TBA

Curated by ChEMBL


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


Citation and Details
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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TBA

Curated by ChEMBL


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


Citation and Details
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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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


Citation and Details
More data for this
Ligand-Target Pair
CCKBR


(RAT)
BDBM50056091
PNG
(1-[1-(3,3-Dimethyl-2-oxo-butyl)-2-oxo-5-phenyl-2,3...)
Show SMILES CC(C)(C)C(=O)CN1c2ccccc2C(=NC(NC(=O)Nc2cccc(c2)[N+]([O-])=O)C1=O)c1ccccc1
Show InChI InChI=1S/C28H27N5O5/c1-28(2,3)23(34)17-32-22-15-8-7-14-21(22)24(18-10-5-4-6-11-18)30-25(26(32)35)31-27(36)29-19-12-9-13-20(16-19)33(37)38/h4-16,25H,17H2,1-3H3,(H2,29,31,36)
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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


Citation and Details
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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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


Citation and Details
More data for this
Ligand-Target Pair
CCKBR


(RAT)
BDBM50056095
PNG
(1-(3-Dimethylamino-phenyl)-3-[(R)-1-(3,3-dimethyl-...)
Show SMILES CN(C)c1cccc(NC(=O)N[C@@H]2N=C(c3ccccn3)c3ccccc3N(CC(=O)C(C)(C)C)C2=O)c1
Show InChI InChI=1S/C29H32N6O3/c1-29(2,3)24(36)18-35-23-15-7-6-13-21(23)25(22-14-8-9-16-30-22)32-26(27(35)37)33-28(38)31-19-11-10-12-20(17-19)34(4)5/h6-17,26H,18H2,1-5H3,(H2,31,33,38)/t26-/m0/s1
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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


Citation and Details
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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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


Citation and Details
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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TBA

Curated by ChEMBL


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


Citation and Details
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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TBA

Curated by ChEMBL


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


Citation and Details
More data for this
Ligand-Target Pair
CCKBR


(RAT)
BDBM50288462
PNG
((R)-2-{(2R,5S)-2-[(R)-3-((R)-2-Carboxy-pyrrolidine...)
Show SMILES CC(C)(C)OC(=O)N1[C@H](Cc2ccccc12)C(=O)N1[C@H](CC[C@H]1c1ccccc1)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)N1CCC[C@@H]1C(O)=O
Show InChI InChI=1S/C40H44N4O7/c1-40(2,3)51-39(50)44-29-17-10-9-15-27(29)23-34(44)37(47)43-30(25-12-5-4-6-13-25)19-20-31(43)35(45)42-24-28-16-8-7-14-26(28)22-33(42)36(46)41-21-11-18-32(41)38(48)49/h4-10,12-17,30-34H,11,18-24H2,1-3H3,(H,48,49)/t30-,31+,32+,33+,34+/m0/s1
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TBA

Assay Description
Tested for displacement of [125I]-CCK-8 from Gastrin/Cholecystokinin type B receptor in rat brain.


Citation and Details
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


Citation and Details
More data for this
Ligand-Target Pair
CCKBR


(RAT)
BDBM50286888
PNG
(1-{1-[2-(1-Methyl-cyclohexyl)-2-oxo-ethyl]-2-oxo-5...)
Show SMILES Cc1cccc(NC(=O)NC2N=C(c3ccccc3)c3ccccc3N(CC(=O)C3(C)CCCCC3)C2=O)c1
Show InChI InChI=1S/C32H34N4O3/c1-22-12-11-15-24(20-22)33-31(39)35-29-30(38)36(21-27(37)32(2)18-9-4-10-19-32)26-17-8-7-16-25(26)28(34-29)23-13-5-3-6-14-23/h3,5-8,11-17,20,29H,4,9-10,18-19,21H2,1-2H3,(H2,33,35,39)
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n/an/a 0.380n/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


Citation and Details
More data for this
Ligand-Target Pair
CCKBR


(RAT)
BDBM50286891
PNG
(1-[1-(2-Cyclohexyl-2-oxo-ethyl)-2-oxo-5-phenyl-2,3...)
Show SMILES Cc1cccc(NC(=O)NC2N=C(c3ccccc3)c3ccccc3N(CC(=O)C3CCCCC3)C2=O)c1
Show InChI InChI=1S/C31H32N4O3/c1-21-11-10-16-24(19-21)32-31(38)34-29-30(37)35(20-27(36)22-12-4-2-5-13-22)26-18-9-8-17-25(26)28(33-29)23-14-6-3-7-15-23/h3,6-11,14-19,22,29H,2,4-5,12-13,20H2,1H3,(H2,32,34,38)
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n/an/a 0.400n/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


Citation and Details
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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TBA

Curated by ChEMBL


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


Citation and Details
More data for this
Ligand-Target Pair
CCKBR


(RAT)
BDBM50056086
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)c1ccccn1
Show InChI InChI=1S/C27H28N6O3/c1-27(2,3)22(34)16-33-21-13-5-4-11-19(21)23(20-12-6-7-14-29-20)31-24(25(33)35)32-26(36)30-18-10-8-9-17(28)15-18/h4-15,24H,16,28H2,1-3H3,(H2,30,32,36)/t24-/m0/s1
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n/an/a 0.430n/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


Citation and Details
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


Citation and Details
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



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


Citation and Details
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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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


Citation and Details
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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TBA

Curated by ChEMBL


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


Citation and Details
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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TBA

Curated by ChEMBL


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


Citation and Details
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


Citation and Details
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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TBA

Curated by ChEMBL


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


Citation and Details
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


Citation and Details
More data for this
Ligand-Target Pair
CCKBR


(RAT)
BDBM50288477
PNG
(3-(1-carbamoyl-2-phenylethylcarbamoyl)-3-[1-[7-oxo...)
Show SMILES CCC[C@@H]1CCN([C@H]1C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)C(=O)[C@@H]1Cc2c[nH]c3cccc(CC(=O)N1)c23
Show InChI InChI=1S/C34H40N6O7/c1-2-7-20-12-13-40(34(47)26-15-22-18-36-23-11-6-10-21(29(22)23)16-27(41)37-26)30(20)33(46)39-25(17-28(42)43)32(45)38-24(31(35)44)14-19-8-4-3-5-9-19/h3-6,8-11,18,20,24-26,30,36H,2,7,12-17H2,1H3,(H2,35,44)(H,37,41)(H,38,45)(H,39,46)(H,42,43)/t20-,24+,25+,26+,30-/m1/s1
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TBA

Assay Description
Tested for displacement of [125I]-CCK-8 from Gastrin/Cholecystokinin type B receptor in rat brain.


Citation and Details
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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TBA

Curated by ChEMBL


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


Citation and Details
More data for this
Ligand-Target Pair
CCKBR


(RAT)
BDBM50056100
PNG
(1-[(R)-1-(3,3-Dimethyl-2-oxo-butyl)-2-oxo-5-pyridi...)
Show SMILES CC(C)(C)C(=O)CN1c2ccccc2C(=N[C@@H](NC(=O)Nc2cccc(c2)N2CCCCC2)C1=O)c1ccccn1
Show InChI InChI=1S/C32H36N6O3/c1-32(2,3)27(39)21-38-26-16-6-5-14-24(26)28(25-15-7-8-17-33-25)35-29(30(38)40)36-31(41)34-22-12-11-13-23(20-22)37-18-9-4-10-19-37/h5-8,11-17,20,29H,4,9-10,18-19,21H2,1-3H3,(H2,34,36,41)/t29-/m0/s1
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n/an/a 0.840n/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


Citation and Details
More data for this
Ligand-Target Pair
CCKBR


(RAT)
BDBM50286889
PNG
(1-[1-(3-Cyclohexyl-3-methyl-2-oxo-butyl)-2-oxo-5-p...)
Show SMILES Cc1cccc(NC(=O)NC2N=C(c3ccccc3)c3ccccc3N(CC(=O)C(C)(C)C3CCCCC3)C2=O)c1
Show InChI InChI=1S/C34H38N4O3/c1-23-13-12-18-26(21-23)35-33(41)37-31-32(40)38(22-29(39)34(2,3)25-16-8-5-9-17-25)28-20-11-10-19-27(28)30(36-31)24-14-6-4-7-15-24/h4,6-7,10-15,18-21,25,31H,5,8-9,16-17,22H2,1-3H3,(H2,35,37,41)
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TBA

Curated by ChEMBL


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


Citation and Details
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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TBA

Curated by ChEMBL


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


Citation and Details
More data for this
Ligand-Target Pair
CCKBR


(RAT)
BDBM50288474
PNG
((S)-1-(2-{(2-Cyclohexyl-ethyl)-[(S)-2-(2-1H-indol-...)
Show SMILES OC(=O)[C@@H]1CCCN1C(=O)CN(CCC1CCCCC1)C(=O)[C@H](Cc1ccccc1)NC(=O)Cc1c[nH]c2ccccc12
Show InChI InChI=1S/C34H42N4O5/c39-31(21-26-22-35-28-15-8-7-14-27(26)28)36-29(20-25-12-5-2-6-13-25)33(41)37(19-17-24-10-3-1-4-11-24)23-32(40)38-18-9-16-30(38)34(42)43/h2,5-8,12-15,22,24,29-30,35H,1,3-4,9-11,16-21,23H2,(H,36,39)(H,42,43)/t29-,30-/m0/s1
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TBA

Assay Description
Tested for displacement of [125I]-CCK-8 from Gastrin/Cholecystokinin type B receptor in rat brain.


Citation and Details
More data for this
Ligand-Target Pair
CCKBR


(RAT)
BDBM21147
PNG
((3S)-3-[(2S)-2-[(2S)-2-{2-[(2S)-2-[(2S)-2-[(3S)-3-...)
Show SMILES CSCC[C@H](NC(=O)[C@H](Cc1ccc(OS(O)(=O)=O)cc1)NC(=O)[C@@H](N)CC(O)=O)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C49H62N10O16S3/c1-76-18-16-34(55-47(69)37(58-44(66)32(50)23-41(61)62)21-28-12-14-30(15-13-28)75-78(72,73)74)45(67)53-26-40(60)54-38(22-29-25-52-33-11-7-6-10-31(29)33)48(70)56-35(17-19-77-2)46(68)59-39(24-42(63)64)49(71)57-36(43(51)65)20-27-8-4-3-5-9-27/h3-15,25,32,34-39,52H,16-24,26,50H2,1-2H3,(H2,51,65)(H,53,67)(H,54,60)(H,55,69)(H,56,70)(H,57,71)(H,58,66)(H,59,68)(H,61,62)(H,63,64)(H,72,73,74)/t32-,34-,35-,36-,37-,38-,39-/m0/s1
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n/an/a 1n/an/an/an/an/an/a



Rotta Research Laboratorium

Curated by ChEMBL


Assay Description
Inhibition of the specific binding of [125I](BH)-CCK-8 to Cholecystokinin type B receptor in rat brain cortex


J Med Chem 35: 28-38 (1992)

More data for this
Ligand-Target Pair
CCKBR


(RAT)
BDBM50056090
PNG
(1-(3-Dimethylamino-phenyl)-3-[(S)-1-(3,3-dimethyl-...)
Show SMILES CN(C)c1cccc(NC(=O)N[C@H]2N=C(c3ccccn3)c3ccccc3N(CC(=O)C(C)(C)C)C2=O)c1
Show InChI InChI=1S/C29H32N6O3/c1-29(2,3)24(36)18-35-23-15-7-6-13-21(23)25(22-14-8-9-16-30-22)32-26(27(35)37)33-28(38)31-19-11-10-12-20(17-19)34(4)5/h6-17,26H,18H2,1-5H3,(H2,31,33,38)/t26-/m1/s1
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n/an/a 1.26n/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


Citation and Details
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


Citation and Details
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


Citation and Details
More data for this
Ligand-Target Pair
CCKBR


(RAT)
BDBM50286887
PNG
(1-[1-(3-Ethyl-2-oxo-pentyl)-2-oxo-5-phenyl-2,3-dih...)
Show SMILES CCC(CC)C(=O)CN1c2ccccc2C(=NC(NC(=O)Nc2cccc(C)c2)C1=O)c1ccccc1
Show InChI InChI=1S/C30H32N4O3/c1-4-21(5-2)26(35)19-34-25-17-10-9-16-24(25)27(22-13-7-6-8-14-22)32-28(29(34)36)33-30(37)31-23-15-11-12-20(3)18-23/h6-18,21,28H,4-5,19H2,1-3H3,(H2,31,33,37)
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n/an/a 1.90n/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


Citation and Details
More data for this
Ligand-Target Pair
CCKBR


(RAT)
BDBM50286890
PNG
(1-[1-(2-Cycloheptyl-2-oxo-ethyl)-2-oxo-5-phenyl-2,...)
Show SMILES Cc1cccc(NC(=O)NC2N=C(c3ccccc3)c3ccccc3N(CC(=O)C3CCCCCC3)C2=O)c1
Show InChI InChI=1S/C32H34N4O3/c1-22-12-11-17-25(20-22)33-32(39)35-30-31(38)36(21-28(37)23-13-5-2-3-6-14-23)27-19-10-9-18-26(27)29(34-30)24-15-7-4-8-16-24/h4,7-12,15-20,23,30H,2-3,5-6,13-14,21H2,1H3,(H2,33,35,39)
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n/an/a 2n/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


Citation and Details
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


Citation and Details
More data for this
Ligand-Target Pair
CCKBR


(RAT)
BDBM50016425
PNG
((S)-3-{(S)-2-[(S)-2-(2-{(S)-2-[(S)-2-tert-Butoxyca...)
Show SMILES CCCC[C@H](NC(=O)[C@H](Cc1ccc(OS(O)(=O)=O)cc1)NC(=O)OC(C)(C)C)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCC)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C52H69N9O15S/c1-6-8-18-37(57-48(68)40(61-51(71)75-52(3,4)5)26-32-21-23-34(24-22-32)76-77(72,73)74)46(66)55-30-43(62)56-41(27-33-29-54-36-20-14-13-17-35(33)36)49(69)58-38(19-9-7-2)47(67)60-42(28-44(63)64)50(70)59-39(45(53)65)25-31-15-11-10-12-16-31/h10-17,20-24,29,37-42,54H,6-9,18-19,25-28,30H2,1-5H3,(H2,53,65)(H,55,66)(H,56,62)(H,57,68)(H,58,69)(H,59,70)(H,60,67)(H,61,71)(H,63,64)(H,72,73,74)/t37-,38-,39-,40-,41-,42-/m0/s1
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n/an/a 2.30n/an/an/an/an/an/a



EP CNRS 51

Curated by ChEMBL


Assay Description
Inhibition of [125I]-BH-CCK- binding to peripheral cholecystokinin type B receptor from rat pancreatic acini


J Med Chem 36: 3021-8 (1993)

More data for this
Ligand-Target Pair
CCKBR


(RAT)
BDBM50016425
PNG
((S)-3-{(S)-2-[(S)-2-(2-{(S)-2-[(S)-2-tert-Butoxyca...)
Show SMILES CCCC[C@H](NC(=O)[C@H](Cc1ccc(OS(O)(=O)=O)cc1)NC(=O)OC(C)(C)C)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCC)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C52H69N9O15S/c1-6-8-18-37(57-48(68)40(61-51(71)75-52(3,4)5)26-32-21-23-34(24-22-32)76-77(72,73)74)46(66)55-30-43(62)56-41(27-33-29-54-36-20-14-13-17-35(33)36)49(69)58-38(19-9-7-2)47(67)60-42(28-44(63)64)50(70)59-39(45(53)65)25-31-15-11-10-12-16-31/h10-17,20-24,29,37-42,54H,6-9,18-19,25-28,30H2,1-5H3,(H2,53,65)(H,55,66)(H,56,62)(H,57,68)(H,58,69)(H,59,70)(H,60,67)(H,61,71)(H,63,64)(H,72,73,74)/t37-,38-,39-,40-,41-,42-/m0/s1
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n/an/a 2.30n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro binding affinity against Cholecystokinin type B receptor of rat pancreatic acini


Citation and Details
More data for this
Ligand-Target Pair
CCKBR


(RAT)
BDBM50288473
PNG
((S)-1-(2-{(2-Cyclohexyl-ethyl)-[(S)-2-(2-1H-indol-...)
Show SMILES CCCC[C@H](NC(=O)Cc1c[nH]c2ccccc12)C(=O)N(CCC1CCCCC1)CC(=O)N1CCC[C@H]1C(O)=O
Show InChI InChI=1S/C31H44N4O5/c1-2-3-13-26(33-28(36)19-23-20-32-25-14-8-7-12-24(23)25)30(38)34(18-16-22-10-5-4-6-11-22)21-29(37)35-17-9-15-27(35)31(39)40/h7-8,12,14,20,22,26-27,32H,2-6,9-11,13,15-19,21H2,1H3,(H,33,36)(H,39,40)/t26-,27-/m0/s1
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n/an/a 2.30n/an/an/an/an/an/a


TBA

Assay Description
Tested for displacement of [125I]-CCK-8 from Gastrin/Cholecystokinin type B receptor in rat brain.


Citation and Details
More data for this
Ligand-Target Pair
CCKBR


(RAT)
BDBM50286893
PNG
(1-[1-(2-Cyclobutyl-2-oxo-ethyl)-2-oxo-5-phenyl-2,3...)
Show SMILES Cc1cccc(NC(=O)NC2N=C(c3ccccc3)c3ccccc3N(CC(=O)C3CCC3)C2=O)c1
Show InChI InChI=1S/C29H28N4O3/c1-19-9-7-14-22(17-19)30-29(36)32-27-28(35)33(18-25(34)20-12-8-13-20)24-16-6-5-15-23(24)26(31-27)21-10-3-2-4-11-21/h2-7,9-11,14-17,20,27H,8,12-13,18H2,1H3,(H2,30,32,36)
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n/an/a 2.37n/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


Citation and Details
More data for this
Ligand-Target Pair
CCKBR


(RAT)
BDBM50033640
PNG
(2-{2-[2-(2-{2-[2-tert-Butoxycarbonylamino-3-(4-sul...)
Show SMILES CCCC[C@H](NC(=O)[C@H](Cc1ccc(cc1)S(O)(=O)=O)NC(=O)OC(C)(C)C)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCC)C(=O)N[C@@H](CC(O)=O)C(=O)OCCc1ccccc1
Show InChI InChI=1S/C51H67N7O14S/c1-6-8-18-38(55-47(64)40(58-50(67)72-51(3,4)5)27-33-21-23-35(24-22-33)73(68,69)70)45(62)53-31-43(59)54-41(28-34-30-52-37-20-14-13-17-36(34)37)48(65)56-39(19-9-7-2)46(63)57-42(29-44(60)61)49(66)71-26-25-32-15-11-10-12-16-32/h10-17,20-24,30,38-42,52H,6-9,18-19,25-29,31H2,1-5H3,(H,53,62)(H,54,59)(H,55,64)(H,56,65)(H,57,63)(H,58,67)(H,60,61)(H,68,69,70)/t38-,39-,40-,41-,42-/m0/s1
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n/an/a 3n/an/an/an/an/an/a



EP CNRS 51

Curated by ChEMBL


Assay Description
Inhibition of [125I]-BH-CCK- binding to peripheral cholecystokinin type B receptor from rat pancreatic acini


J Med Chem 36: 3021-8 (1993)

More data for this
Ligand-Target Pair
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