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PubMed code 1359141

Compile data set for download or QSAR
Found 47 hits of Enzyme Inhibition Constant Data   
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
adrenergic Alpha2


(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.


Citation and Details
More data for this
Ligand-Target Pair
adrenergic Alpha2


(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.


Citation and Details
More data for this
Ligand-Target Pair
adrenergic Alpha2


(BOVINE)
BDBM50002155
PNG
(6-Chloro-8-piperazin-1-yl-imidazo[1,2-a]pyrazine; ...)
Show SMILES 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


Citation and Details
More data for this
Ligand-Target Pair
adrenergic Alpha2


(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.


Citation and Details
More data for this
Ligand-Target Pair
adrenergic Alpha2


(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.


Citation and Details
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


Citation and Details
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


Citation and Details
More data for this
Ligand-Target Pair
adrenergic Alpha2


(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.


Citation and Details
More data for this
Ligand-Target Pair
adrenergic Alpha2


(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.


Citation and Details
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


Citation and Details
More data for this
Ligand-Target Pair
adrenergic Alpha2


(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.


Citation and Details
More data for this
Ligand-Target Pair
adrenergic Alpha2


(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.


Citation and Details
More data for this
Ligand-Target Pair
adrenergic Alpha2


(BOVINE)
BDBM50002155
PNG
(6-Chloro-8-piperazin-1-yl-imidazo[1,2-a]pyrazine; ...)
Show SMILES 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
Binding affinity against alpha-1 adrenergic receptor was determined in calf cerebral cortex homogenates using [3H]prazosin as radioligand


Citation and Details
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


Citation and Details
More data for this
Ligand-Target Pair
adrenergic Alpha2


(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.


Citation and Details
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


Citation and Details
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


Citation and Details
More data for this
Ligand-Target Pair
adrenergic Alpha2


(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.


Citation and Details
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


Citation and Details
More data for this
Ligand-Target Pair
adrenergic Alpha2


(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.


Citation and Details
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


Citation and Details
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


Citation and Details
More data for this
Ligand-Target Pair
adrenergic Alpha2


(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.


Citation and Details
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


Citation and Details
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


Citation and Details
More data for this
Ligand-Target Pair
adrenergic Alpha2


(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.


Citation and Details
More data for this
Ligand-Target Pair
adrenergic Alpha2


(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.


Citation and Details
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


Citation and Details
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


Citation and Details
More data for this
Ligand-Target Pair
adrenergic Alpha2


(BOVINE)
BDBM50002148
PNG
(8-Piperazin-1-yl-2,3-dihydro-imidazo[1,2-a]pyrazin...)
Show SMILES C1CN2C=CN=C(N3CCNCC3)C2=N1
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.


Citation and Details
More data for this
Ligand-Target Pair
adrenergic Alpha2


(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.


Citation and Details
More data for this
Ligand-Target Pair
adrenergic Alpha2


(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.


Citation and Details
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


Citation and Details
More data for this
Ligand-Target Pair
adrenergic Alpha2


(BOVINE)
BDBM50002141
PNG
(3-Methyl-8-piperazin-1-yl-2,3-dihydro-imidazo[1,2-...)
Show SMILES CC1CN=C2N1C=CN=C2N1CCNCC1
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.


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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
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


Citation and Details
More data for this
Ligand-Target Pair
adrenergic Alpha2


(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.


Citation and Details
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
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


Citation and Details
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%