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4 similar compounds to monomer 50006877

Compile data set for download or QSAR
Wt: 650.7
BDBM50449521
Wt: 636.6
BDBM50006879
Wt: 650.7
BDBM50006884
Wt: 634.7
BDBM50006889

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 8 hits for monomerid = 50449521,50006879,50006884,50006889   
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)
BDBM50449521
PNG
(CHEMBL2304155)
Show SMILES C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)NC[C@H](NC(=O)CCP(O)(O)=O)c1ccccc1
Show InChI InChI=1S/C34H43N4O7P/c1-34(18-26-19-35-28-10-6-5-9-27(26)28,38-33(41)45-31-24-14-21-13-22(16-24)17-25(31)15-21)32(40)36-20-29(23-7-3-2-4-8-23)37-30(39)11-12-46(42,43)44/h2-10,19,21-22,24-25,29,31,35H,11-18,20H2,1H3,(H,36,40)(H,37,39)(H,38,41)(H2,42,43,44)/t21?,22?,24?,25?,29-,31?,34+/m0/s1
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n/an/a 23n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
The concentration (nM) producing half-maximal inhibition of specific binding of [1251] Bolton Hunter CCK-8 to CCK receptors in the mouse cerebral cor...


Bioorg Med Chem Lett 2: 45-8 (1992)


BindingDB Entry DOI: 10.7270/Q2K0746W
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(RAT)
BDBM50449521
PNG
(CHEMBL2304155)
Show SMILES C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)NC[C@H](NC(=O)CCP(O)(O)=O)c1ccccc1
Show InChI InChI=1S/C34H43N4O7P/c1-34(18-26-19-35-28-10-6-5-9-27(26)28,38-33(41)45-31-24-14-21-13-22(16-24)17-25(31)15-21)32(40)36-20-29(23-7-3-2-4-8-23)37-30(39)11-12-46(42,43)44/h2-10,19,21-22,24-25,29,31,35H,11-18,20H2,1H3,(H,36,40)(H,37,39)(H,38,41)(H2,42,43,44)/t21?,22?,24?,25?,29-,31?,34+/m0/s1
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n/an/a 2.70E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
The concentration (nM) producing half-maximal inhibition of specific binding of [1251] Bolton Hunter CCK-8 to CCK receptors in the rat pancreas (CCK-...


Bioorg Med Chem Lett 2: 45-8 (1992)


BindingDB Entry DOI: 10.7270/Q2K0746W
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(RAT)
BDBM50006879
PNG
(({2-[2-(Adamantan-2-yloxycarbonylamino)-3-(1H-indo...)
Show SMILES CC(Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)NC[C@@H](NC(=O)CP(O)(O)=O)c1ccccc1
Show InChI InChI=1S/C33H41N4O7P/c1-33(16-25-17-34-27-10-6-5-9-26(25)27,37-32(40)44-30-23-12-20-11-21(14-23)15-24(30)13-20)31(39)35-18-28(22-7-3-2-4-8-22)36-29(38)19-45(41,42)43/h2-10,17,20-21,23-24,28,30,34H,11-16,18-19H2,1H3,(H,35,39)(H,36,38)(H,37,40)(H2,41,42,43)/t20?,21?,23?,24?,28-,30?,33?/m1/s1
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n/an/a 5.20E+3n/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


(MOUSE)
BDBM50006889
PNG
(({2-[2-(Adamantan-2-yloxycarbonylamino)-3-(1H-indo...)
Show SMILES CC(Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)NC[C@@H](NC(=O)CP(C)(O)=O)c1ccccc1
Show InChI InChI=1S/C34H43N4O6P/c1-34(17-26-18-35-28-11-7-6-10-27(26)28,38-33(41)44-31-24-13-21-12-22(15-24)16-25(31)14-21)32(40)36-19-29(23-8-4-3-5-9-23)37-30(39)20-45(2,42)43/h3-11,18,21-22,24-25,29,31,35H,12-17,19-20H2,1-2H3,(H,36,40)(H,37,39)(H,38,41)(H,42,43)/t21?,22?,24?,25?,29-,31?,34?/m1/s1
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n/an/a 12n/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)
BDBM50006879
PNG
(({2-[2-(Adamantan-2-yloxycarbonylamino)-3-(1H-indo...)
Show SMILES CC(Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)NC[C@@H](NC(=O)CP(O)(O)=O)c1ccccc1
Show InChI InChI=1S/C33H41N4O7P/c1-33(16-25-17-34-27-10-6-5-9-26(25)27,37-32(40)44-30-23-12-20-11-21(14-23)15-24(30)13-20)31(39)35-18-28(22-7-3-2-4-8-22)36-29(38)19-45(41,42)43/h2-10,17,20-21,23-24,28,30,34H,11-16,18-19H2,1H3,(H,35,39)(H,36,38)(H,37,40)(H2,41,42,43)/t20?,21?,23?,24?,28-,30?,33?/m1/s1
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n/an/a 27n/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)
BDBM50006889
PNG
(({2-[2-(Adamantan-2-yloxycarbonylamino)-3-(1H-indo...)
Show SMILES CC(Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)NC[C@@H](NC(=O)CP(C)(O)=O)c1ccccc1
Show InChI InChI=1S/C34H43N4O6P/c1-34(17-26-18-35-28-11-7-6-10-27(26)28,38-33(41)44-31-24-13-21-12-22(15-24)16-25(31)14-21)32(40)36-19-29(23-8-4-3-5-9-23)37-30(39)20-45(2,42)43/h3-11,18,21-22,24-25,29,31,35H,12-17,19-20H2,1-2H3,(H,36,40)(H,37,39)(H,38,41)(H,42,43)/t21?,22?,24?,25?,29-,31?,34?/m1/s1
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n/an/a 1.70E+3n/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)
BDBM50006884
PNG
((2-{2-[2-(Adamantan-2-yloxycarbonylamino)-3-(1H-in...)
Show SMILES CC(Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)NC[C@@H](NC(=O)CCP(O)(O)=O)c1ccccc1
Show InChI InChI=1S/C34H43N4O7P/c1-34(18-26-19-35-28-10-6-5-9-27(26)28,38-33(41)45-31-24-14-21-13-22(16-24)17-25(31)15-21)32(40)36-20-29(23-7-3-2-4-8-23)37-30(39)11-12-46(42,43)44/h2-10,19,21-22,24-25,29,31,35H,11-18,20H2,1H3,(H,36,40)(H,37,39)(H,38,41)(H2,42,43,44)/t21?,22?,24?,25?,29-,31?,34?/m1/s1
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n/an/a 2.70E+3n/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


(MOUSE)
BDBM50006884
PNG
((2-{2-[2-(Adamantan-2-yloxycarbonylamino)-3-(1H-in...)
Show SMILES CC(Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)NC[C@@H](NC(=O)CCP(O)(O)=O)c1ccccc1
Show InChI InChI=1S/C34H43N4O7P/c1-34(18-26-19-35-28-10-6-5-9-27(26)28,38-33(41)45-31-24-14-21-13-22(16-24)17-25(31)15-21)32(40)36-20-29(23-7-3-2-4-8-23)37-30(39)11-12-46(42,43)44/h2-10,19,21-22,24-25,29,31,35H,11-18,20H2,1H3,(H,36,40)(H,37,39)(H,38,41)(H2,42,43,44)/t21?,22?,24?,25?,29-,31?,34?/m1/s1
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n/an/a 23n/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