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23 similar compounds to monomer 50056102

Compile data set for download or QSAR
Wt: 498.5
BDBM50043493
Wt: 399.4
BDBM50043500
Wt: 511.5
BDBM50056085
Wt: 484.5
BDBM50056086
Wt: 537.6
BDBM50056089
Wt: 512.6
BDBM50056090
Wt: 539.6
BDBM50056092
Wt: 497.5
BDBM50056093
Wt: 483.5
BDBM50056094
Wt: 512.6
BDBM50056095
Wt: 483.5
BDBM50056096
Wt: 482.5
BDBM50056097
Wt: 511.6
BDBM50056098
Wt: 538.6
BDBM50056099
Wt: 552.6
BDBM50056100
Displayed 1 to 15 (of 23 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 40 hits for monomerid = 50043493,50043500,50056085,50056086,50056089,50056090,50056092,50056093,50056094,50056095,50056096,50056097,50056098,50056099,50056100   
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


(Homo sapiens (Human))
BDBM50043493
PNG
(CHEMBL313813 | N,N-Diethyl-2-[2-oxo-5-pyridin-2-yl...)
Show SMILES CCN(CC)C(=O)CN1c2ccccc2C(=NC(NC(=O)Nc2cccc(C)c2)C1=O)c1ccccn1
Show InChI InChI=1S/C28H30N6O3/c1-4-33(5-2)24(35)18-34-23-15-7-6-13-21(23)25(22-14-8-9-16-29-22)31-26(27(34)36)32-28(37)30-20-12-10-11-19(3)17-20/h6-17,26H,4-5,18H2,1-3H3,(H2,30,32,37)
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n/an/a 0.560n/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)
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)
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


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)
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


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
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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n/an/a 0.200n/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)
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)
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



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)
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 944n/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)
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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n/an/a 113n/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)
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)
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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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
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
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


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)
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


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)
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 572n/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)
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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n/an/a 253n/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


(Homo sapiens (Human))
BDBM50043500
PNG
(1-(1-Methyl-2-oxo-5-pyridin-2-yl-2,3-dihydro-1H-be...)
Show SMILES CN1c2ccccc2C(=NC(NC(=O)Nc2cccc(C)c2)C1=O)c1ccccn1
Show InChI InChI=1S/C23H21N5O2/c1-15-8-7-9-16(14-15)25-23(30)27-21-22(29)28(2)19-12-4-3-10-17(19)20(26-21)18-11-5-6-13-24-18/h3-14,21H,1-2H3,(H2,25,27,30)
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n/an/a 66n/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of ligand binding to Cholecystokinin type B receptor from guinea pig cortical membrane.


J Med Chem 40: 2491-501 (1997)


Article DOI: 10.1021/jm9608523
BindingDB Entry DOI: 10.7270/Q2F47N84
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(Homo sapiens (Human))
BDBM50043493
PNG
(CHEMBL313813 | N,N-Diethyl-2-[2-oxo-5-pyridin-2-yl...)
Show SMILES CCN(CC)C(=O)CN1c2ccccc2C(=NC(NC(=O)Nc2cccc(C)c2)C1=O)c1ccccn1
Show InChI InChI=1S/C28H30N6O3/c1-4-33(5-2)24(35)18-34-23-15-7-6-13-21(23)25(22-14-8-9-16-29-22)31-26(27(34)36)32-28(37)30-20-12-10-11-19(3)17-20/h6-17,26H,4-5,18H2,1-3H3,(H2,30,32,37)
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n/an/a 0.560n/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of ligand binding to Cholecystokinin type B receptor from guinea pig cortical membrane.


J Med Chem 40: 2491-501 (1997)


Article DOI: 10.1021/jm9608523
BindingDB Entry DOI: 10.7270/Q2F47N84
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(RAT)
BDBM50043493
PNG
(CHEMBL313813 | N,N-Diethyl-2-[2-oxo-5-pyridin-2-yl...)
Show SMILES CCN(CC)C(=O)CN1c2ccccc2C(=NC(NC(=O)Nc2cccc(C)c2)C1=O)c1ccccn1
Show InChI InChI=1S/C28H30N6O3/c1-4-33(5-2)24(35)18-34-23-15-7-6-13-21(23)25(22-14-8-9-16-29-22)31-26(27(34)36)32-28(37)30-20-12-10-11-19(3)17-20/h6-17,26H,4-5,18H2,1-3H3,(H2,30,32,37)
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n/an/a 435n/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of ligand binding to Cholecystokinin type A receptor receptor from rat pancreatic tissue.


J Med Chem 40: 2491-501 (1997)


Article DOI: 10.1021/jm9608523
BindingDB Entry DOI: 10.7270/Q2F47N84
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(RAT)
BDBM50043500
PNG
(1-(1-Methyl-2-oxo-5-pyridin-2-yl-2,3-dihydro-1H-be...)
Show SMILES CN1c2ccccc2C(=NC(NC(=O)Nc2cccc(C)c2)C1=O)c1ccccn1
Show InChI InChI=1S/C23H21N5O2/c1-15-8-7-9-16(14-15)25-23(30)27-21-22(29)28(2)19-12-4-3-10-17(19)20(26-21)18-11-5-6-13-24-18/h3-14,21H,1-2H3,(H2,25,27,30)
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n/an/a 65n/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of ligand binding to Cholecystokinin type A receptor receptor from rat pancreatic tissue.


J Med Chem 40: 2491-501 (1997)


Article DOI: 10.1021/jm9608523
BindingDB Entry DOI: 10.7270/Q2F47N84
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
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)
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


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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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
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)
BDBM50043493
PNG
(CHEMBL313813 | N,N-Diethyl-2-[2-oxo-5-pyridin-2-yl...)
Show SMILES CCN(CC)C(=O)CN1c2ccccc2C(=NC(NC(=O)Nc2cccc(C)c2)C1=O)c1ccccn1
Show InChI InChI=1S/C28H30N6O3/c1-4-33(5-2)24(35)18-34-23-15-7-6-13-21(23)25(22-14-8-9-16-29-22)31-26(27(34)36)32-28(37)30-20-12-10-11-19(3)17-20/h6-17,26H,4-5,18H2,1-3H3,(H2,30,32,37)
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n/an/a 435n/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)
BDBM50043500
PNG
(1-(1-Methyl-2-oxo-5-pyridin-2-yl-2,3-dihydro-1H-be...)
Show SMILES CN1c2ccccc2C(=NC(NC(=O)Nc2cccc(C)c2)C1=O)c1ccccn1
Show InChI InChI=1S/C23H21N5O2/c1-15-8-7-9-16(14-15)25-23(30)27-21-22(29)28(2)19-12-4-3-10-17(19)20(26-21)18-11-5-6-13-24-18/h3-14,21H,1-2H3,(H2,25,27,30)
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n/an/a 65n/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


(Homo sapiens (Human))
BDBM50043500
PNG
(1-(1-Methyl-2-oxo-5-pyridin-2-yl-2,3-dihydro-1H-be...)
Show SMILES CN1c2ccccc2C(=NC(NC(=O)Nc2cccc(C)c2)C1=O)c1ccccn1
Show InChI InChI=1S/C23H21N5O2/c1-15-8-7-9-16(14-15)25-23(30)27-21-22(29)28(2)19-12-4-3-10-17(19)20(26-21)18-11-5-6-13-24-18/h3-14,21H,1-2H3,(H2,25,27,30)
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n/an/a 66n/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
Cholecystokinin receptor


(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 1.82E+3n/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