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Compile Data Set for Download or QSAR

Found 539 hits with Last Name = 'saperstein' and Initial = 'r'   
Target/Host
(Institution)
LigandTarget/Host
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
Alpha-2A adrenergic receptor


(BOVINE)
BDBM50002151
PNG
(8-Piperazin-1-yl-imidazo[1,2-a]pyrazine | CHEMBL33...)
Show SMILES C1CN(CCN1)c1nccn2ccnc12
Show InChI InChI=1S/C10H13N5/c1-5-14(6-2-11-1)9-10-13-4-8-15(10)7-3-12-9/h3-4,7-8,11H,1-2,5-6H2
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15n/an/an/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity at Alpha-2 adrenergic receptor in calf cerebral cortex homogenates by [3H]clonidine displacement.


J Med Chem 35: 3845-57 (1992)


BindingDB Entry DOI: 10.7270/Q2PZ59FX
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(BOVINE)
BDBM50002156
PNG
(2-Methyl-8-piperazin-1-yl-imidazo[1,2-a]pyrazine; ...)
Show SMILES Cc1cn2ccnc(N3CCNCC3)c2n1
Show InChI InChI=1S/C11H15N5/c1-9-8-16-7-4-13-10(11(16)14-9)15-5-2-12-3-6-15/h4,7-8,12H,2-3,5-6H2,1H3
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51n/an/an/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity at Alpha-2 adrenergic receptor in calf cerebral cortex homogenates by [3H]clonidine displacement.


J Med Chem 35: 3845-57 (1992)


BindingDB Entry DOI: 10.7270/Q2PZ59FX
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(BOVINE)
BDBM50002155
PNG
(6-Chloro-8-piperazin-1-yl-imidazo[1,2-a]pyrazine; ...)
Show SMILES Cl.Cl.Clc1cn2ccnc2c(n1)N1CCNCC1
Show InChI InChI=1S/C10H12ClN5.2ClH/c11-8-7-16-6-3-13-9(16)10(14-8)15-4-1-12-2-5-15;;/h3,6-7,12H,1-2,4-5H2;2*1H
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73n/an/an/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity against alpha-2 adrenergic receptor was determined in calf cerebral cortex homogenates using [3H]clonidine as radioligand


J Med Chem 35: 3845-57 (1992)


BindingDB Entry DOI: 10.7270/Q2PZ59FX
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(BOVINE)
BDBM50002145
PNG
(5-Methyl-8-(4-methyl-piperazin-1-yl)-imidazo[1,2-a...)
Show SMILES CN1CCN(CC1)c1ncc(C)n2ccnc12
Show InChI InChI=1S/C12H17N5/c1-10-9-14-11(12-13-3-4-17(10)12)16-7-5-15(2)6-8-16/h3-4,9H,5-8H2,1-2H3
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81n/an/an/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity at Alpha-2 adrenergic receptor in calf cerebral cortex homogenates by [3H]clonidine displacement.


J Med Chem 35: 3845-57 (1992)


BindingDB Entry DOI: 10.7270/Q2PZ59FX
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(BOVINE)
BDBM50002142
PNG
(5-Methyl-8-piperazin-1-yl-imidazo[1,2-a]pyrazine; ...)
Show SMILES Cc1cnc(N2CCNCC2)c2nccn12
Show InChI InChI=1S/C11H15N5/c1-9-8-14-10(11-13-4-7-16(9)11)15-5-2-12-3-6-15/h4,7-8,12H,2-3,5-6H2,1H3
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140n/an/an/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity at Alpha-2 adrenergic receptor in calf cerebral cortex homogenates by [3H]clonidine displacement.


J Med Chem 35: 3845-57 (1992)


BindingDB Entry DOI: 10.7270/Q2PZ59FX
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(GUINEA PIG)
BDBM50002146
PNG
(3,6-Dimethyl-8-piperazin-1-yl-imidazo[1,2-a]pyrazi...)
Show SMILES Cc1cnc2c(nc(C)cn12)N1CCNCC1
Show InChI InChI=1S/C12H17N5/c1-9-8-17-10(2)7-14-11(17)12(15-9)16-5-3-13-4-6-16/h7-8,13H,3-6H2,1-2H3
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150n/an/an/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity at Beta-1 adrenergic receptor in guinea pigs by [125I]CYP displacement


J Med Chem 35: 3845-57 (1992)


BindingDB Entry DOI: 10.7270/Q2PZ59FX
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(GUINEA PIG)
BDBM50002150
PNG
(5-Bromo-8-piperazin-1-yl-imidazo[1,2-a]pyrazine | ...)
Show SMILES Brc1cnc(N2CCNCC2)c2nccn12
Show InChI InChI=1S/C10H12BrN5/c11-8-7-14-9(10-13-3-6-16(8)10)15-4-1-12-2-5-15/h3,6-7,12H,1-2,4-5H2
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170n/an/an/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity at Beta-1 adrenergic receptor in guinea pigs by [125I]CYP displacement


J Med Chem 35: 3845-57 (1992)


BindingDB Entry DOI: 10.7270/Q2PZ59FX
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(BOVINE)
BDBM50002150
PNG
(5-Bromo-8-piperazin-1-yl-imidazo[1,2-a]pyrazine | ...)
Show SMILES Brc1cnc(N2CCNCC2)c2nccn12
Show InChI InChI=1S/C10H12BrN5/c11-8-7-14-9(10-13-3-6-16(8)10)15-4-1-12-2-5-15/h3,6-7,12H,1-2,4-5H2
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182n/an/an/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity at Alpha-2 adrenergic receptor in calf cerebral cortex homogenates by [3H]clonidine displacement.


J Med Chem 35: 3845-57 (1992)


BindingDB Entry DOI: 10.7270/Q2PZ59FX
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(BOVINE)
BDBM50002152
PNG
(6-Methyl-8-piperazin-1-yl-imidazo[1,2-a]pyrazine; ...)
Show SMILES Cc1cn2ccnc2c(n1)N1CCNCC1
Show InChI InChI=1S/C11H15N5/c1-9-8-16-7-4-13-10(16)11(14-9)15-5-2-12-3-6-15/h4,7-8,12H,2-3,5-6H2,1H3
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190n/an/an/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity at Alpha-2 adrenergic receptor in calf cerebral cortex homogenates by [3H]clonidine displacement.


J Med Chem 35: 3845-57 (1992)


BindingDB Entry DOI: 10.7270/Q2PZ59FX
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(GUINEA PIG)
BDBM50002152
PNG
(6-Methyl-8-piperazin-1-yl-imidazo[1,2-a]pyrazine; ...)
Show SMILES Cc1cn2ccnc2c(n1)N1CCNCC1
Show InChI InChI=1S/C11H15N5/c1-9-8-16-7-4-13-10(16)11(14-9)15-5-2-12-3-6-15/h4,7-8,12H,2-3,5-6H2,1H3
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220n/an/an/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity at Beta-1 adrenergic receptor in guinea pigs by [125I]CYP displacement


J Med Chem 35: 3845-57 (1992)


BindingDB Entry DOI: 10.7270/Q2PZ59FX
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(BOVINE)
BDBM50002144
PNG
(3-Chloro-8-piperazin-1-yl-imidazo[1,2-a]pyrazine; ...)
Show SMILES Clc1cnc2c(nccn12)N1CCNCC1
Show InChI InChI=1S/C10H12ClN5/c11-8-7-14-10-9(13-3-6-16(8)10)15-4-1-12-2-5-15/h3,6-7,12H,1-2,4-5H2
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240n/an/an/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity at Alpha-2 adrenergic receptor in calf cerebral cortex homogenates by [3H]clonidine displacement.


J Med Chem 35: 3845-57 (1992)


BindingDB Entry DOI: 10.7270/Q2PZ59FX
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(BOVINE)
BDBM50002139
PNG
(3-Methyl-8-piperazin-1-yl-imidazo[1,2-a]pyrazine; ...)
Show SMILES Cc1cnc2c(nccn12)N1CCNCC1
Show InChI InChI=1S/C11H15N5/c1-9-8-14-11-10(13-4-7-16(9)11)15-5-2-12-3-6-15/h4,7-8,12H,2-3,5-6H2,1H3
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240n/an/an/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity at Alpha-2 adrenergic receptor in calf cerebral cortex homogenates by [3H]clonidine displacement.


J Med Chem 35: 3845-57 (1992)


BindingDB Entry DOI: 10.7270/Q2PZ59FX
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(CALF)
BDBM50002155
PNG
(6-Chloro-8-piperazin-1-yl-imidazo[1,2-a]pyrazine; ...)
Show SMILES Cl.Cl.Clc1cn2ccnc2c(n1)N1CCNCC1
Show InChI InChI=1S/C10H12ClN5.2ClH/c11-8-7-16-6-3-13-9(16)10(14-8)15-4-1-12-2-5-15;;/h3,6-7,12H,1-2,4-5H2;2*1H
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250n/an/an/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase II


J Med Chem 35: 3845-57 (1992)


BindingDB Entry DOI: 10.7270/Q2PZ59FX
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(GUINEA PIG)
BDBM50002146
PNG
(3,6-Dimethyl-8-piperazin-1-yl-imidazo[1,2-a]pyrazi...)
Show SMILES Cc1cnc2c(nc(C)cn12)N1CCNCC1
Show InChI InChI=1S/C12H17N5/c1-9-8-17-10(2)7-14-11(17)12(15-9)16-5-3-13-4-6-16/h7-8,13H,3-6H2,1-2H3
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250n/an/an/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity against Beta-2 adrenergic receptor was measured using [125I]CYP as radioligand


J Med Chem 35: 3845-57 (1992)


BindingDB Entry DOI: 10.7270/Q2PZ59FX
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(BOVINE)
BDBM50002154
PNG
(5-Bromo-8-(4-methyl-piperazin-1-yl)-imidazo[1,2-a]...)
Show SMILES CN1CCN(CC1)c1ncc(Br)n2ccnc12
Show InChI InChI=1S/C11H14BrN5/c1-15-4-6-16(7-5-15)10-11-13-2-3-17(11)9(12)8-14-10/h2-3,8H,4-7H2,1H3
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270n/an/an/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity at Alpha-2 adrenergic receptor in calf cerebral cortex homogenates by [3H]clonidine displacement.


J Med Chem 35: 3845-57 (1992)


BindingDB Entry DOI: 10.7270/Q2PZ59FX
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(GUINEA PIG)
BDBM50002152
PNG
(6-Methyl-8-piperazin-1-yl-imidazo[1,2-a]pyrazine; ...)
Show SMILES Cc1cn2ccnc2c(n1)N1CCNCC1
Show InChI InChI=1S/C11H15N5/c1-9-8-16-7-4-13-10(16)11(14-9)15-5-2-12-3-6-15/h4,7-8,12H,2-3,5-6H2,1H3
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280n/an/an/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity against Beta-2 adrenergic receptor was measured using [125I]CYP as radioligand


J Med Chem 35: 3845-57 (1992)


BindingDB Entry DOI: 10.7270/Q2PZ59FX
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(GUINEA PIG)
BDBM50002156
PNG
(2-Methyl-8-piperazin-1-yl-imidazo[1,2-a]pyrazine; ...)
Show SMILES Cc1cn2ccnc(N3CCNCC3)c2n1
Show InChI InChI=1S/C11H15N5/c1-9-8-16-7-4-13-10(11(16)14-9)15-5-2-12-3-6-15/h4,7-8,12H,2-3,5-6H2,1H3
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310n/an/an/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity at Beta-1 adrenergic receptor in guinea pigs by [125I]CYP displacement


J Med Chem 35: 3845-57 (1992)


BindingDB Entry DOI: 10.7270/Q2PZ59FX
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(BOVINE)
BDBM50002138
PNG
(3,5-Dimethyl-8-piperazin-1-yl-imidazo[1,2-a]pyrazi...)
Show SMILES Cc1cnc2c(ncc(C)n12)N1CCNCC1
Show InChI InChI=1S/C12H17N5/c1-9-7-14-11(16-5-3-13-4-6-16)12-15-8-10(2)17(9)12/h7-8,13H,3-6H2,1-2H3
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340n/an/an/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity at Alpha-2 adrenergic receptor in calf cerebral cortex homogenates by [3H]clonidine displacement.


J Med Chem 35: 3845-57 (1992)


BindingDB Entry DOI: 10.7270/Q2PZ59FX
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(GUINEA PIG)
BDBM50002142
PNG
(5-Methyl-8-piperazin-1-yl-imidazo[1,2-a]pyrazine; ...)
Show SMILES Cc1cnc(N2CCNCC2)c2nccn12
Show InChI InChI=1S/C11H15N5/c1-9-8-14-10(11-13-4-7-16(9)11)15-5-2-12-3-6-15/h4,7-8,12H,2-3,5-6H2,1H3
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360n/an/an/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity at Beta-1 adrenergic receptor in guinea pigs by [125I]CYP displacement


J Med Chem 35: 3845-57 (1992)


BindingDB Entry DOI: 10.7270/Q2PZ59FX
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(BOVINE)
BDBM50002149
PNG
(3-Isopropyl-8-piperazin-1-yl-imidazo[1,2-a]pyrazin...)
Show SMILES CC(C)c1cnc2c(nccn12)N1CCNCC1
Show InChI InChI=1S/C13H19N5/c1-10(2)11-9-16-13-12(15-5-8-18(11)13)17-6-3-14-4-7-17/h5,8-10,14H,3-4,6-7H2,1-2H3
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370n/an/an/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity at Alpha-2 adrenergic receptor in calf cerebral cortex homogenates by [3H]clonidine displacement.


J Med Chem 35: 3845-57 (1992)


BindingDB Entry DOI: 10.7270/Q2PZ59FX
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(GUINEA PIG)
BDBM50002151
PNG
(8-Piperazin-1-yl-imidazo[1,2-a]pyrazine | CHEMBL33...)
Show SMILES C1CN(CCN1)c1nccn2ccnc12
Show InChI InChI=1S/C10H13N5/c1-5-14(6-2-11-1)9-10-13-4-8-15(10)7-3-12-9/h3-4,7-8,11H,1-2,5-6H2
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400n/an/an/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity at Beta-1 adrenergic receptor in guinea pigs by [125I]CYP displacement


J Med Chem 35: 3845-57 (1992)


BindingDB Entry DOI: 10.7270/Q2PZ59FX
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(GUINEA PIG)
BDBM50002138
PNG
(3,5-Dimethyl-8-piperazin-1-yl-imidazo[1,2-a]pyrazi...)
Show SMILES Cc1cnc2c(ncc(C)n12)N1CCNCC1
Show InChI InChI=1S/C12H17N5/c1-9-7-14-11(16-5-3-13-4-6-16)12-15-8-10(2)17(9)12/h7-8,13H,3-6H2,1-2H3
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400n/an/an/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity at Beta-1 adrenergic receptor in guinea pigs by [125I]CYP displacement


J Med Chem 35: 3845-57 (1992)


BindingDB Entry DOI: 10.7270/Q2PZ59FX
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(BOVINE)
BDBM50002147
PNG
(8-Piperazin-1-yl-3-propyl-imidazo[1,2-a]pyrazine; ...)
Show SMILES CCCc1cnc2c(nccn12)N1CCNCC1
Show InChI InChI=1S/C13H19N5/c1-2-3-11-10-16-13-12(15-6-9-18(11)13)17-7-4-14-5-8-17/h6,9-10,14H,2-5,7-8H2,1H3
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480n/an/an/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity at Alpha-2 adrenergic receptor in calf cerebral cortex homogenates by [3H]clonidine displacement.


J Med Chem 35: 3845-57 (1992)


BindingDB Entry DOI: 10.7270/Q2PZ59FX
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(GUINEA PIG)
BDBM50002154
PNG
(5-Bromo-8-(4-methyl-piperazin-1-yl)-imidazo[1,2-a]...)
Show SMILES CN1CCN(CC1)c1ncc(Br)n2ccnc12
Show InChI InChI=1S/C11H14BrN5/c1-15-4-6-16(7-5-15)10-11-13-2-3-17(11)9(12)8-14-10/h2-3,8H,4-7H2,1H3
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500n/an/an/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity at Beta-1 adrenergic receptor in guinea pigs by [125I]CYP displacement


J Med Chem 35: 3845-57 (1992)


BindingDB Entry DOI: 10.7270/Q2PZ59FX
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(GUINEA PIG)
BDBM50002150
PNG
(5-Bromo-8-piperazin-1-yl-imidazo[1,2-a]pyrazine | ...)
Show SMILES Brc1cnc(N2CCNCC2)c2nccn12
Show InChI InChI=1S/C10H12BrN5/c11-8-7-14-9(10-13-3-6-16(8)10)15-4-1-12-2-5-15/h3,6-7,12H,1-2,4-5H2
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520n/an/an/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity against Beta-2 adrenergic receptor was measured using [125I]CYP as radioligand


J Med Chem 35: 3845-57 (1992)


BindingDB Entry DOI: 10.7270/Q2PZ59FX
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(BOVINE)
BDBM50002143
PNG
(3-Ethyl-8-piperazin-1-yl-imidazo[1,2-a]pyrazine; 2...)
Show SMILES CCc1cnc2c(nccn12)N1CCNCC1
Show InChI InChI=1S/C12H17N5/c1-2-10-9-15-12-11(14-5-8-17(10)12)16-6-3-13-4-7-16/h5,8-9,13H,2-4,6-7H2,1H3
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530n/an/an/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity at Alpha-2 adrenergic receptor in calf cerebral cortex homogenates by [3H]clonidine displacement.


J Med Chem 35: 3845-57 (1992)


BindingDB Entry DOI: 10.7270/Q2PZ59FX
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(BOVINE)
BDBM50002146
PNG
(3,6-Dimethyl-8-piperazin-1-yl-imidazo[1,2-a]pyrazi...)
Show SMILES Cc1cnc2c(nc(C)cn12)N1CCNCC1
Show InChI InChI=1S/C12H17N5/c1-9-8-17-10(2)7-14-11(17)12(15-9)16-5-3-13-4-6-16/h7-8,13H,3-6H2,1-2H3
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620n/an/an/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity at Alpha-2 adrenergic receptor in calf cerebral cortex homogenates by [3H]clonidine displacement.


J Med Chem 35: 3845-57 (1992)


BindingDB Entry DOI: 10.7270/Q2PZ59FX
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(GUINEA PIG)
BDBM50002157
PNG
(3,5-Dibromo-8-piperazin-1-yl-imidazo[1,2-a]pyrazin...)
Show SMILES Brc1cnc2c(ncc(Br)n12)N1CCNCC1
Show InChI InChI=1S/C10H11Br2N5/c11-7-5-14-9(16-3-1-13-2-4-16)10-15-6-8(12)17(7)10/h5-6,13H,1-4H2
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630n/an/an/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity at Beta-1 adrenergic receptor in guinea pigs by [125I]CYP displacement


J Med Chem 35: 3845-57 (1992)


BindingDB Entry DOI: 10.7270/Q2PZ59FX
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(GUINEA PIG)
BDBM50002142
PNG
(5-Methyl-8-piperazin-1-yl-imidazo[1,2-a]pyrazine; ...)
Show SMILES Cc1cnc(N2CCNCC2)c2nccn12
Show InChI InChI=1S/C11H15N5/c1-9-8-14-10(11-13-4-7-16(9)11)15-5-2-12-3-6-15/h4,7-8,12H,2-3,5-6H2,1H3
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820n/an/an/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity against Beta-2 adrenergic receptor was measured using [125I]CYP as radioligand


J Med Chem 35: 3845-57 (1992)


BindingDB Entry DOI: 10.7270/Q2PZ59FX
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(BOVINE)
BDBM50002148
PNG
(8-Piperazin-1-yl-2,3-dihydro-imidazo[1,2-a]pyrazin...)
Show SMILES C1CN2C=CN=C(N3CCNCC3)C2=N1 |c:3,15,t:5|
Show InChI InChI=1S/C10H15N5/c1-5-14(6-2-11-1)9-10-13-4-8-15(10)7-3-12-9/h3,7,11H,1-2,4-6,8H2
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870n/an/an/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity at Alpha-2 adrenergic receptor in calf cerebral cortex homogenates by [3H]clonidine displacement.


J Med Chem 35: 3845-57 (1992)


BindingDB Entry DOI: 10.7270/Q2PZ59FX
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(BOVINE)
BDBM50002153
PNG
(8-(4-Methyl-piperazin-1-yl)-imidazo[1,2-a]pyrazine...)
Show SMILES CN1CCN(CC1)c1nccn2ccnc12
Show InChI InChI=1S/C11H15N5/c1-14-6-8-16(9-7-14)11-10-12-2-4-15(10)5-3-13-11/h2-5H,6-9H2,1H3
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1.02E+3n/an/an/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity at Alpha-2 adrenergic receptor in calf cerebral cortex homogenates by [3H]clonidine displacement.


J Med Chem 35: 3845-57 (1992)


BindingDB Entry DOI: 10.7270/Q2PZ59FX
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(BOVINE)
BDBM50002140
PNG
(3-Bromo-8-(4-methyl-piperazin-1-yl)-imidazo[1,2-a]...)
Show SMILES CN1CCN(CC1)c1nccn2c(Br)cnc12
Show InChI InChI=1S/C11H14BrN5/c1-15-4-6-16(7-5-15)10-11-14-8-9(12)17(11)3-2-13-10/h2-3,8H,4-7H2,1H3
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1.35E+3n/an/an/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity at Alpha-2 adrenergic receptor in calf cerebral cortex homogenates by [3H]clonidine displacement.


J Med Chem 35: 3845-57 (1992)


BindingDB Entry DOI: 10.7270/Q2PZ59FX
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(GUINEA PIG)
BDBM50002147
PNG
(8-Piperazin-1-yl-3-propyl-imidazo[1,2-a]pyrazine; ...)
Show SMILES CCCc1cnc2c(nccn12)N1CCNCC1
Show InChI InChI=1S/C13H19N5/c1-2-3-11-10-16-13-12(15-6-9-18(11)13)17-7-4-14-5-8-17/h6,9-10,14H,2-5,7-8H2,1H3
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1.39E+3n/an/an/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity against Beta-2 adrenergic receptor was measured using [125I]CYP as radioligand


J Med Chem 35: 3845-57 (1992)


BindingDB Entry DOI: 10.7270/Q2PZ59FX
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(BOVINE)
BDBM50002141
PNG
(3-Methyl-8-piperazin-1-yl-2,3-dihydro-imidazo[1,2-...)
Show SMILES CC1CN=C2N1C=CN=C2N1CCNCC1 |c:3,7,9|
Show InChI InChI=1S/C11H17N5/c1-9-8-14-11-10(13-4-7-16(9)11)15-5-2-12-3-6-15/h4,7,9,12H,2-3,5-6,8H2,1H3
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1.60E+3n/an/an/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity at Alpha-2 adrenergic receptor in calf cerebral cortex homogenates by [3H]clonidine displacement.


J Med Chem 35: 3845-57 (1992)


BindingDB Entry DOI: 10.7270/Q2PZ59FX
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(GUINEA PIG)
BDBM50002151
PNG
(8-Piperazin-1-yl-imidazo[1,2-a]pyrazine | CHEMBL33...)
Show SMILES C1CN(CCN1)c1nccn2ccnc12
Show InChI InChI=1S/C10H13N5/c1-5-14(6-2-11-1)9-10-13-4-8-15(10)7-3-12-9/h3-4,7-8,11H,1-2,5-6H2
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1.70E+3n/an/an/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity against Beta-2 adrenergic receptor was measured using [125I]CYP as radioligand


J Med Chem 35: 3845-57 (1992)


BindingDB Entry DOI: 10.7270/Q2PZ59FX
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(GUINEA PIG)
BDBM50002149
PNG
(3-Isopropyl-8-piperazin-1-yl-imidazo[1,2-a]pyrazin...)
Show SMILES CC(C)c1cnc2c(nccn12)N1CCNCC1
Show InChI InChI=1S/C13H19N5/c1-10(2)11-9-16-13-12(15-5-8-18(11)13)17-6-3-14-4-7-17/h5,8-10,14H,3-4,6-7H2,1-2H3
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2.01E+3n/an/an/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity against Beta-2 adrenergic receptor was measured using [125I]CYP as radioligand


J Med Chem 35: 3845-57 (1992)


BindingDB Entry DOI: 10.7270/Q2PZ59FX
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(GUINEA PIG)
BDBM50002139
PNG
(3-Methyl-8-piperazin-1-yl-imidazo[1,2-a]pyrazine; ...)
Show SMILES Cc1cnc2c(nccn12)N1CCNCC1
Show InChI InChI=1S/C11H15N5/c1-9-8-14-11-10(13-4-7-16(9)11)15-5-2-12-3-6-15/h4,7-8,12H,2-3,5-6H2,1H3
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2.30E+3n/an/an/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity against Beta-2 adrenergic receptor was measured using [125I]CYP as radioligand


J Med Chem 35: 3845-57 (1992)


BindingDB Entry DOI: 10.7270/Q2PZ59FX
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(GUINEA PIG)
BDBM50002139
PNG
(3-Methyl-8-piperazin-1-yl-imidazo[1,2-a]pyrazine; ...)
Show SMILES Cc1cnc2c(nccn12)N1CCNCC1
Show InChI InChI=1S/C11H15N5/c1-9-8-14-11-10(13-4-7-16(9)11)15-5-2-12-3-6-15/h4,7-8,12H,2-3,5-6H2,1H3
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2.40E+3n/an/an/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity at Beta-1 adrenergic receptor in guinea pigs by [125I]CYP displacement


J Med Chem 35: 3845-57 (1992)


BindingDB Entry DOI: 10.7270/Q2PZ59FX
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(GUINEA PIG)
BDBM50002145
PNG
(5-Methyl-8-(4-methyl-piperazin-1-yl)-imidazo[1,2-a...)
Show SMILES CN1CCN(CC1)c1ncc(C)n2ccnc12
Show InChI InChI=1S/C12H17N5/c1-10-9-14-11(12-13-3-4-17(10)12)16-7-5-15(2)6-8-16/h3-4,9H,5-8H2,1-2H3
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2.80E+3n/an/an/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity at Beta-1 adrenergic receptor in guinea pigs by [125I]CYP displacement


J Med Chem 35: 3845-57 (1992)


BindingDB Entry DOI: 10.7270/Q2PZ59FX
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(GUINEA PIG)
BDBM50002149
PNG
(3-Isopropyl-8-piperazin-1-yl-imidazo[1,2-a]pyrazin...)
Show SMILES CC(C)c1cnc2c(nccn12)N1CCNCC1
Show InChI InChI=1S/C13H19N5/c1-10(2)11-9-16-13-12(15-5-8-18(11)13)17-6-3-14-4-7-17/h5,8-10,14H,3-4,6-7H2,1-2H3
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2.99E+3n/an/an/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity at Beta-1 adrenergic receptor in guinea pigs by [125I]CYP displacement


J Med Chem 35: 3845-57 (1992)


BindingDB Entry DOI: 10.7270/Q2PZ59FX
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(GUINEA PIG)
BDBM50002143
PNG
(3-Ethyl-8-piperazin-1-yl-imidazo[1,2-a]pyrazine; 2...)
Show SMILES CCc1cnc2c(nccn12)N1CCNCC1
Show InChI InChI=1S/C12H17N5/c1-2-10-9-15-12-11(14-5-8-17(10)12)16-6-3-13-4-7-16/h5,8-9,13H,2-4,6-7H2,1H3
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3.24E+3n/an/an/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity against Beta-2 adrenergic receptor was measured using [125I]CYP as radioligand


J Med Chem 35: 3845-57 (1992)


BindingDB Entry DOI: 10.7270/Q2PZ59FX
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(GUINEA PIG)
BDBM50002143
PNG
(3-Ethyl-8-piperazin-1-yl-imidazo[1,2-a]pyrazine; 2...)
Show SMILES CCc1cnc2c(nccn12)N1CCNCC1
Show InChI InChI=1S/C12H17N5/c1-2-10-9-15-12-11(14-5-8-17(10)12)16-6-3-13-4-7-16/h5,8-9,13H,2-4,6-7H2,1H3
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5.00E+3n/an/an/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity at Beta-1 adrenergic receptor in guinea pigs by [125I]CYP displacement


J Med Chem 35: 3845-57 (1992)


BindingDB Entry DOI: 10.7270/Q2PZ59FX
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(GUINEA PIG)
BDBM50002140
PNG
(3-Bromo-8-(4-methyl-piperazin-1-yl)-imidazo[1,2-a]...)
Show SMILES CN1CCN(CC1)c1nccn2c(Br)cnc12
Show InChI InChI=1S/C11H14BrN5/c1-15-4-6-16(7-5-15)10-11-14-8-9(12)17(11)3-2-13-10/h2-3,8H,4-7H2,1H3
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6.30E+3n/an/an/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity at Beta-1 adrenergic receptor in guinea pigs by [125I]CYP displacement


J Med Chem 35: 3845-57 (1992)


BindingDB Entry DOI: 10.7270/Q2PZ59FX
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(GUINEA PIG)
BDBM50002147
PNG
(8-Piperazin-1-yl-3-propyl-imidazo[1,2-a]pyrazine; ...)
Show SMILES CCCc1cnc2c(nccn12)N1CCNCC1
Show InChI InChI=1S/C13H19N5/c1-2-3-11-10-16-13-12(15-6-9-18(11)13)17-7-4-14-5-8-17/h6,9-10,14H,2-5,7-8H2,1H3
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7.79E+3n/an/an/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity at Beta-1 adrenergic receptor in guinea pigs by [125I]CYP displacement


J Med Chem 35: 3845-57 (1992)


BindingDB Entry DOI: 10.7270/Q2PZ59FX
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(GUINEA PIG)
BDBM50002141
PNG
(3-Methyl-8-piperazin-1-yl-2,3-dihydro-imidazo[1,2-...)
Show SMILES CC1CN=C2N1C=CN=C2N1CCNCC1 |c:3,7,9|
Show InChI InChI=1S/C11H17N5/c1-9-8-14-11-10(13-4-7-16(9)11)15-5-2-12-3-6-15/h4,7,9,12H,2-3,5-6,8H2,1H3
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1.03E+4n/an/an/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity at Beta-1 adrenergic receptor in guinea pigs by [125I]CYP displacement


J Med Chem 35: 3845-57 (1992)


BindingDB Entry DOI: 10.7270/Q2PZ59FX
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(BOVINE)
BDBM50002157
PNG
(3,5-Dibromo-8-piperazin-1-yl-imidazo[1,2-a]pyrazin...)
Show SMILES Brc1cnc2c(ncc(Br)n12)N1CCNCC1
Show InChI InChI=1S/C10H11Br2N5/c11-7-5-14-9(16-3-1-13-2-4-16)10-15-6-8(12)17(7)10/h5-6,13H,1-4H2
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1.19E+4n/an/an/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity at Alpha-2 adrenergic receptor in calf cerebral cortex homogenates by [3H]clonidine displacement.


J Med Chem 35: 3845-57 (1992)


BindingDB Entry DOI: 10.7270/Q2PZ59FX
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(GUINEA PIG)
BDBM50002141
PNG
(3-Methyl-8-piperazin-1-yl-2,3-dihydro-imidazo[1,2-...)
Show SMILES CC1CN=C2N1C=CN=C2N1CCNCC1 |c:3,7,9|
Show InChI InChI=1S/C11H17N5/c1-9-8-14-11-10(13-4-7-16(9)11)15-5-2-12-3-6-15/h4,7,9,12H,2-3,5-6,8H2,1H3
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1.77E+4n/an/an/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity against Beta-2 adrenergic receptor was measured using [125I]CYP as radioligand


J Med Chem 35: 3845-57 (1992)


BindingDB Entry DOI: 10.7270/Q2PZ59FX
More data for this
Ligand-Target Pair
Glucagon receptor


(Homo sapiens (Human))
BDBM50244265
PNG
(CHEMBL480113 | trans-4-((4-tert-butylcyclohexyl)(1...)
Show SMILES CCCOc1ccc2nc(N(Cc3ccc(cc3)C(=O)Nc3nnn[nH]3)[C@H]3CC[C@@H](CC3)C(C)(C)C)n(C)c2c1 |r,wU:26.27,wD:29.34,(9.13,-42.84,;9.87,-44.19,;11.41,-44.22,;12.15,-45.57,;13.69,-45.6,;14.49,-44.28,;16.03,-44.32,;16.76,-45.67,;18.26,-46.03,;18.38,-47.56,;19.71,-48.34,;19.71,-49.88,;21.04,-50.66,;22.37,-49.89,;23.7,-50.67,;23.69,-52.21,;22.34,-52.97,;21.02,-52.19,;25.02,-52.99,;25.01,-54.53,;26.36,-52.22,;27.68,-53,;28.2,-54.45,;29.74,-54.42,;30.18,-52.94,;28.91,-52.06,;21.04,-47.58,;21.05,-46.04,;22.39,-45.28,;23.72,-46.06,;23.71,-47.6,;22.37,-48.36,;25.06,-45.3,;26.39,-44.52,;25.83,-46.64,;24.3,-43.97,;16.96,-48.15,;16.19,-49.49,;15.96,-46.98,;14.43,-46.95,)|
Show InChI InChI=1S/C30H40N8O2/c1-6-17-40-24-15-16-25-26(18-24)37(5)29(31-25)38(23-13-11-22(12-14-23)30(2,3)4)19-20-7-9-21(10-8-20)27(39)32-28-33-35-36-34-28/h7-10,15-16,18,22-23H,6,11-14,17,19H2,1-5H3,(H2,32,33,34,35,36,39)/t22-,23-
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n/an/a 1n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]glucagon from human GCGR expressed in CHO cells


Bioorg Med Chem Lett 18: 3701-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.072
BindingDB Entry DOI: 10.7270/Q26Q1X25
More data for this
Ligand-Target Pair
Glucagon receptor


(Homo sapiens (Human))
BDBM50244238
PNG
(CHEMBL499372 | trans-4-(((5-(benzyloxy)-1-methyl-1...)
Show SMILES Cn1c(nc2cc(OCc3ccccc3)ccc12)N(Cc1ccc(cc1)C(=O)Nc1nnn[nH]1)[C@H]1CC[C@@H](CC1)C(C)(C)C |r,wU:34.38,wD:37.45,(-7.9,-48.6,;-7.12,-47.26,;-5.7,-46.67,;-5.82,-45.14,;-7.32,-44.78,;-8.06,-43.43,;-9.59,-43.39,;-10.33,-42.04,;-9.53,-40.73,;-10.27,-39.37,;-9.47,-38.06,;-10.21,-36.71,;-11.75,-36.67,;-12.55,-37.99,;-11.81,-39.34,;-10.4,-44.71,;-9.66,-46.06,;-8.13,-46.09,;-4.37,-47.45,;-4.38,-48.99,;-3.05,-49.77,;-1.72,-49,;-.39,-49.78,;-.4,-51.32,;-1.74,-52.08,;-3.07,-51.3,;.93,-52.1,;.92,-53.64,;2.27,-51.33,;3.6,-52.11,;4.12,-53.56,;5.66,-53.52,;6.1,-52.05,;4.83,-51.17,;-3.04,-46.69,;-3.04,-45.15,;-1.69,-44.39,;-.36,-45.17,;-.38,-46.71,;-1.71,-47.47,;.98,-44.41,;2.3,-43.63,;1.75,-45.75,;.21,-43.08,)|
Show InChI InChI=1S/C34H40N8O2/c1-34(2,3)26-14-16-27(17-15-26)42(21-23-10-12-25(13-11-23)31(43)36-32-37-39-40-38-32)33-35-29-20-28(18-19-30(29)41(33)4)44-22-24-8-6-5-7-9-24/h5-13,18-20,26-27H,14-17,21-22H2,1-4H3,(H2,36,37,38,39,40,43)/t26-,27-
PDB
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n/an/a 1n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]glucagon from human GCGR expressed in CHO cells


Bioorg Med Chem Lett 18: 3701-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.072
BindingDB Entry DOI: 10.7270/Q26Q1X25
More data for this
Ligand-Target Pair
Glucagon receptor


(Homo sapiens (Human))
BDBM50244236
PNG
(CHEMBL500315 | trans-4-(((4-tert-butylcyclohexyl)(...)
Show SMILES Cn1c(nc2cc(OC3CCCC3)ccc12)N(Cc1ccc(cc1)C(=O)Nc1nnn[nH]1)[C@H]1CC[C@@H](CC1)C(C)(C)C |r,wU:32.36,wD:35.43,(16.18,-49.49,;16.96,-48.15,;18.38,-47.56,;18.26,-46.02,;16.76,-45.67,;16.03,-44.32,;14.49,-44.28,;13.75,-42.93,;14.55,-41.62,;16.09,-41.49,;16.44,-39.99,;15.13,-39.19,;13.96,-40.19,;13.69,-45.6,;14.43,-46.95,;15.96,-46.98,;19.71,-48.34,;19.71,-49.88,;21.04,-50.66,;22.37,-49.89,;23.69,-50.66,;23.69,-52.21,;22.34,-52.97,;21.02,-52.19,;25.02,-52.98,;25.01,-54.52,;26.36,-52.22,;27.68,-53,;28.2,-54.45,;29.74,-54.41,;30.18,-52.94,;28.91,-52.06,;21.04,-47.58,;21.05,-46.04,;22.39,-45.28,;23.72,-46.06,;23.71,-47.6,;22.37,-48.36,;25.06,-45.3,;26.39,-44.52,;25.83,-46.64,;24.3,-43.97,)|
Show InChI InChI=1S/C32H42N8O2/c1-32(2,3)23-13-15-24(16-14-23)40(20-21-9-11-22(12-10-21)29(41)34-30-35-37-38-36-30)31-33-27-19-26(17-18-28(27)39(31)4)42-25-7-5-6-8-25/h9-12,17-19,23-25H,5-8,13-16,20H2,1-4H3,(H2,34,35,36,37,38,41)/t23-,24-
PDB
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Article
PubMed
n/an/a 1n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]glucagon from human GCGR expressed in CHO cells


Bioorg Med Chem Lett 18: 3701-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.072
BindingDB Entry DOI: 10.7270/Q26Q1X25
More data for this
Ligand-Target Pair
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