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4 similar compounds to monomer 50455599

Compile data set for download or QSAR
Wt: 671.8
BDBM50455596
Wt: 655.8
BDBM50455600
Wt: 655.8
BDBM50455601
Wt: 669.8
BDBM50006868

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 8 hits for monomerid = 50455596,50455600,50455601,50006868   
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


(MOUSE)
BDBM50455601
PNG
(CHEMBL2112331)
Show SMILES C[C@@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)NC[C@@H](NC(=O)CSc1c[nH]nn1)c1ccccc1
Show InChI InChI=1S/C35H41N7O4S/c1-35(16-26-17-36-28-10-6-5-9-27(26)28,40-34(45)46-32-24-12-21-11-22(14-24)15-25(32)13-21)33(44)37-18-29(23-7-3-2-4-8-23)39-30(43)20-47-31-19-38-42-41-31/h2-10,17,19,21-22,24-25,29,32,36H,11-16,18,20H2,1H3,(H,37,44)(H,39,43)(H,40,45)(H,38,41,42)/t21?,22?,24?,25?,29-,32?,35+/m1/s1
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n/an/a 18n/an/an/an/an/an/a



Parke-Davis Neuroscience Research Centre

Curated by ChEMBL


Assay Description
Evaluated for inhibition of CCK-B receptor by displacing [125I]bolton hunter CCK-8 radioligand in the mouse cerebral cortex


J Med Chem 35: 2573-81 (1992)


Article DOI: 10.1021/jm00092a007
BindingDB Entry DOI: 10.7270/Q2TT4RJ4
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(RAT)
BDBM50455600
PNG
(CHEMBL2112330)
Show SMILES C[C@@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)NC[C@@H](NC(=O)CSc1nc[nH]n1)c1ccccc1
Show InChI InChI=1S/C35H41N7O4S/c1-35(16-26-17-36-28-10-6-5-9-27(26)28,41-34(45)46-31-24-12-21-11-22(14-24)15-25(31)13-21)32(44)37-18-29(23-7-3-2-4-8-23)40-30(43)19-47-33-38-20-39-42-33/h2-10,17,20-22,24-25,29,31,36H,11-16,18-19H2,1H3,(H,37,44)(H,40,43)(H,41,45)(H,38,39,42)/t21?,22?,24?,25?,29-,31?,35+/m1/s1
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Parke-Davis Neuroscience Research Centre

Curated by ChEMBL


Assay Description
Evaluated for inhibition of cholecystokinin type A receptor by displacing [125I]bolton hunter CCK-8 radioligand in the rat pancreas


J Med Chem 35: 2573-81 (1992)


Article DOI: 10.1021/jm00092a007
BindingDB Entry DOI: 10.7270/Q2TT4RJ4
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(MOUSE)
BDBM50455596
PNG
(CHEMBL2112336)
Show SMILES C[C@@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)NC[C@@H](NC(=O)C[S+]([O-])c1nc[nH]n1)c1ccccc1
Show InChI InChI=1S/C35H41N7O5S/c1-35(16-26-17-36-28-10-6-5-9-27(26)28,41-34(45)47-31-24-12-21-11-22(14-24)15-25(31)13-21)32(44)37-18-29(23-7-3-2-4-8-23)40-30(43)19-48(46)33-38-20-39-42-33/h2-10,17,20-22,24-25,29,31,36H,11-16,18-19H2,1H3,(H,37,44)(H,40,43)(H,41,45)(H,38,39,42)/t21?,22?,24?,25?,29-,31?,35+,48?/m1/s1
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n/an/a 1.70n/an/an/an/an/an/a



Parke-Davis Neuroscience Research Centre

Curated by ChEMBL


Assay Description
Evaluated for inhibition of CCK-B receptor by displacing [125I]bolton hunter CCK-8 radioligand in the mouse cerebral cortex


J Med Chem 35: 2573-81 (1992)


Article DOI: 10.1021/jm00092a007
BindingDB Entry DOI: 10.7270/Q2TT4RJ4
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(RAT)
BDBM50006868
PNG
((2-(1H-Indol-3-yl)-1-methyl-1-{2-phenyl-2-[3-(2H-[...)
Show SMILES CC(Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)NC[C@@H](NC(=O)CCSc1nnc[nH]1)c1ccccc1
Show InChI InChI=1S/C36H43N7O4S/c1-36(18-27-19-37-29-10-6-5-9-28(27)29,42-35(46)47-32-25-14-22-13-23(16-25)17-26(32)15-22)33(45)38-20-30(24-7-3-2-4-8-24)41-31(44)11-12-48-34-39-21-40-43-34/h2-10,19,21-23,25-26,30,32,37H,11-18,20H2,1H3,(H,38,45)(H,41,44)(H,42,46)(H,39,40,43)/t22?,23?,25?,26?,30-,32?,36?/m1/s1
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n/an/a 850n/an/an/an/an/an/a



Parke-Davis Neuroscience Research Centre

Curated by ChEMBL


Assay Description
Evaluated for inhibition of cholecystokinin type A receptor by displacing [125I]bolton hunter CCK-8 radioligand in the rat pancreas


J Med Chem 35: 2573-81 (1992)


Article DOI: 10.1021/jm00092a007
BindingDB Entry DOI: 10.7270/Q2TT4RJ4
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(RAT)
BDBM50455601
PNG
(CHEMBL2112331)
Show SMILES C[C@@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)NC[C@@H](NC(=O)CSc1c[nH]nn1)c1ccccc1
Show InChI InChI=1S/C35H41N7O4S/c1-35(16-26-17-36-28-10-6-5-9-27(26)28,40-34(45)46-32-24-12-21-11-22(14-24)15-25(32)13-21)33(44)37-18-29(23-7-3-2-4-8-23)39-30(43)20-47-31-19-38-42-41-31/h2-10,17,19,21-22,24-25,29,32,36H,11-16,18,20H2,1H3,(H,37,44)(H,39,43)(H,40,45)(H,38,41,42)/t21?,22?,24?,25?,29-,32?,35+/m1/s1
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n/an/a 600n/an/an/an/an/an/a



Parke-Davis Neuroscience Research Centre

Curated by ChEMBL


Assay Description
Evaluated for inhibition of CCK-A receptor by displacing [125I]bolton hunter CCK-8 radioligand in the rat pancreas


J Med Chem 35: 2573-81 (1992)


Article DOI: 10.1021/jm00092a007
BindingDB Entry DOI: 10.7270/Q2TT4RJ4
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(MOUSE)
BDBM50455600
PNG
(CHEMBL2112330)
Show SMILES C[C@@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)NC[C@@H](NC(=O)CSc1nc[nH]n1)c1ccccc1
Show InChI InChI=1S/C35H41N7O4S/c1-35(16-26-17-36-28-10-6-5-9-27(26)28,41-34(45)46-31-24-12-21-11-22(14-24)15-25(31)13-21)32(44)37-18-29(23-7-3-2-4-8-23)40-30(43)19-47-33-38-20-39-42-33/h2-10,17,20-22,24-25,29,31,36H,11-16,18-19H2,1H3,(H,37,44)(H,40,43)(H,41,45)(H,38,39,42)/t21?,22?,24?,25?,29-,31?,35+/m1/s1
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n/an/a 2.5n/an/an/an/an/an/a



Parke-Davis Neuroscience Research Centre

Curated by ChEMBL


Assay Description
Evaluated for inhibition of cholecystokinin type B receptor by displacing [125I]-Bolton hunter CCK-8 radioligand in the mouse cerebral cortex


J Med Chem 35: 2573-81 (1992)


Article DOI: 10.1021/jm00092a007
BindingDB Entry DOI: 10.7270/Q2TT4RJ4
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(MOUSE)
BDBM50006868
PNG
((2-(1H-Indol-3-yl)-1-methyl-1-{2-phenyl-2-[3-(2H-[...)
Show SMILES CC(Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)NC[C@@H](NC(=O)CCSc1nnc[nH]1)c1ccccc1
Show InChI InChI=1S/C36H43N7O4S/c1-36(18-27-19-37-29-10-6-5-9-28(27)29,42-35(46)47-32-25-14-22-13-23(16-25)17-26(32)15-22)33(45)38-20-30(24-7-3-2-4-8-24)41-31(44)11-12-48-34-39-21-40-43-34/h2-10,19,21-23,25-26,30,32,37H,11-18,20H2,1H3,(H,38,45)(H,41,44)(H,42,46)(H,39,40,43)/t22?,23?,25?,26?,30-,32?,36?/m1/s1
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n/an/a 16n/an/an/an/an/an/a



Parke-Davis Neuroscience Research Centre

Curated by ChEMBL


Assay Description
Evaluated for inhibition of cholecystokinin type B receptor by displacing [125I]-Bolton hunter CCK-8 radioligand in the mouse cerebral cortex


J Med Chem 35: 2573-81 (1992)


Article DOI: 10.1021/jm00092a007
BindingDB Entry DOI: 10.7270/Q2TT4RJ4
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(RAT)
BDBM50455596
PNG
(CHEMBL2112336)
Show SMILES C[C@@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)NC[C@@H](NC(=O)C[S+]([O-])c1nc[nH]n1)c1ccccc1
Show InChI InChI=1S/C35H41N7O5S/c1-35(16-26-17-36-28-10-6-5-9-27(26)28,41-34(45)47-31-24-12-21-11-22(14-24)15-25(31)13-21)32(44)37-18-29(23-7-3-2-4-8-23)40-30(43)19-48(46)33-38-20-39-42-33/h2-10,17,20-22,24-25,29,31,36H,11-16,18-19H2,1H3,(H,37,44)(H,40,43)(H,41,45)(H,38,39,42)/t21?,22?,24?,25?,29-,31?,35+,48?/m1/s1
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n/an/a 940n/an/an/an/an/an/a



Parke-Davis Neuroscience Research Centre

Curated by ChEMBL


Assay Description
Evaluated for inhibition of CCK-A receptor by displacing [125I]bolton hunter CCK-8 radioligand in the rat pancreas


J Med Chem 35: 2573-81 (1992)


Article DOI: 10.1021/jm00092a007
BindingDB Entry DOI: 10.7270/Q2TT4RJ4
More data for this
Ligand-Target Pair