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PubMed code 6192241

Compile data set for download or QSAR
Found 15 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
Alpha-1A/Alpha-2A adrenergic receptor


(CALF-BOVINE)
BDBM50027226
PNG
(3-Methyl-1,2,3,4,4a,8-hexahydro-7-thia-3,12b-diaza...)
Show SMILES CN1CCN2C(C1)c1ccsc1Cc1ccccc21
Show InChI InChI=1S/C16H18N2S/c1-17-7-8-18-14-5-3-2-4-12(14)10-16-13(6-9-19-16)15(18)11-17/h2-6,9,15H,7-8,10-11H2,1H3
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n/an/a 2n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro binding affinity towards alpha-adrenoceptor of calf cortex membrane Site A using [3H]clonidine


J Med Chem 26: 1116-22 (1983)


BindingDB Entry DOI: 10.7270/Q2SN07ZR
More data for this
Ligand-Target Pair
Alpha-1A/Alpha-2A adrenergic receptor


(CALF-BOVINE)
BDBM50027226
PNG
(3-Methyl-1,2,3,4,4a,8-hexahydro-7-thia-3,12b-diaza...)
Show SMILES CN1CCN2C(C1)c1ccsc1Cc1ccccc21
Show InChI InChI=1S/C16H18N2S/c1-17-7-8-18-14-5-3-2-4-12(14)10-16-13(6-9-19-16)15(18)11-17/h2-6,9,15H,7-8,10-11H2,1H3
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n/an/a 3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro binding affinity towards alpha-adrenoceptor of calf cortex membrane Site B using [3H]-clonidine


J Med Chem 26: 1116-22 (1983)


BindingDB Entry DOI: 10.7270/Q2SN07ZR
More data for this
Ligand-Target Pair
Alpha-1A/Alpha-2A adrenergic receptor


(CALF-BOVINE)
BDBM50027227
PNG
(3-Methyl-1,2,3,4,4a,8-hexahydro-5-thia-3,12b-diaza...)
Show SMILES CN1CCN2C(C1)c1sccc1Cc1ccccc21
Show InChI InChI=1S/C16H18N2S/c1-17-7-8-18-14-5-3-2-4-12(14)10-13-6-9-19-16(13)15(18)11-17/h2-6,9,15H,7-8,10-11H2,1H3
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n/an/a 3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro binding affinity towards alpha-adrenoceptor of calf cortex membrane Site A using [3H]clonidine


J Med Chem 26: 1116-22 (1983)


BindingDB Entry DOI: 10.7270/Q2SN07ZR
More data for this
Ligand-Target Pair
Alpha-1A/Alpha-2A adrenergic receptor


(CALF-BOVINE)
BDBM50027227
PNG
(3-Methyl-1,2,3,4,4a,8-hexahydro-5-thia-3,12b-diaza...)
Show SMILES CN1CCN2C(C1)c1sccc1Cc1ccccc21
Show InChI InChI=1S/C16H18N2S/c1-17-7-8-18-14-5-3-2-4-12(14)10-13-6-9-19-16(13)15(18)11-17/h2-6,9,15H,7-8,10-11H2,1H3
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n/an/a 3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro binding affinity towards alpha-adrenoceptor of calf cortex membrane Site B using [3H]-clonidine


J Med Chem 26: 1116-22 (1983)


BindingDB Entry DOI: 10.7270/Q2SN07ZR
More data for this
Ligand-Target Pair
Alpha-1A/Alpha-2A adrenergic receptor


(CALF-BOVINE)
BDBM31005
PNG
(2-methyl-1,2,3,4,10,14b-hexahydrodibenzo[c,f]pyraz...)
Show SMILES Cl.CN1CCN2C(C1)c1ccccc1Cc1ccccc21
Show InChI InChI=1S/C18H20N2.ClH/c1-19-10-11-20-17-9-5-3-7-15(17)12-14-6-2-4-8-16(14)18(20)13-19;/h2-9,18H,10-13H2,1H3;1H
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n/an/a 6n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro binding affinity towards alpha-adrenoceptor of calf cortex membrane Site B using [3H]-clonidine


J Med Chem 26: 1116-22 (1983)


BindingDB Entry DOI: 10.7270/Q2SN07ZR
More data for this
Ligand-Target Pair
Alpha-1A/Alpha-2A adrenergic receptor


(CALF-BOVINE)
BDBM31005
PNG
(2-methyl-1,2,3,4,10,14b-hexahydrodibenzo[c,f]pyraz...)
Show SMILES Cl.CN1CCN2C(C1)c1ccccc1Cc1ccccc21
Show InChI InChI=1S/C18H20N2.ClH/c1-19-10-11-20-17-9-5-3-7-15(17)12-14-6-2-4-8-16(14)18(20)13-19;/h2-9,18H,10-13H2,1H3;1H
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n/an/a 20n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro binding affinity towards alpha-adrenoceptor of calf cortex membrane Site A using [3H]clonidine


J Med Chem 26: 1116-22 (1983)


BindingDB Entry DOI: 10.7270/Q2SN07ZR
More data for this
Ligand-Target Pair
Alpha-1A/Alpha-2A adrenergic receptor


(CALF-BOVINE)
BDBM50027226
PNG
(3-Methyl-1,2,3,4,4a,8-hexahydro-7-thia-3,12b-diaza...)
Show SMILES CN1CCN2C(C1)c1ccsc1Cc1ccccc21
Show InChI InChI=1S/C16H18N2S/c1-17-7-8-18-14-5-3-2-4-12(14)10-16-13(6-9-19-16)15(18)11-17/h2-6,9,15H,7-8,10-11H2,1H3
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n/an/a 100n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro binding affinity of alpha-adrenoceptor by interacting with high affinity, [3H]serotonin from calf caudate nucleus


J Med Chem 26: 1116-22 (1983)


BindingDB Entry DOI: 10.7270/Q2SN07ZR
More data for this
Ligand-Target Pair
Alpha-1A/Alpha-2A adrenergic receptor


(CALF-BOVINE)
BDBM31005
PNG
(2-methyl-1,2,3,4,10,14b-hexahydrodibenzo[c,f]pyraz...)
Show SMILES Cl.CN1CCN2C(C1)c1ccccc1Cc1ccccc21
Show InChI InChI=1S/C18H20N2.ClH/c1-19-10-11-20-17-9-5-3-7-15(17)12-14-6-2-4-8-16(14)18(20)13-19;/h2-9,18H,10-13H2,1H3;1H
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n/an/a 300n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro binding affinity of alpha-adrenoceptor by interacting with high affinity [3H]5-HT from calf caudate nucleus


J Med Chem 26: 1116-22 (1983)


BindingDB Entry DOI: 10.7270/Q2SN07ZR
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor/Alpha-1B adrenergic receptor/Alpha-1D adrenergic receptor/Alpha-2A adrenergic receptor [16-465]/Alpha-2B adrenergic receptor/Alpha-2C adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat)-RA...)
BDBM50027226
PNG
(3-Methyl-1,2,3,4,4a,8-hexahydro-7-thia-3,12b-diaza...)
Show SMILES CN1CCN2C(C1)c1ccsc1Cc1ccccc21
Show InChI InChI=1S/C16H18N2S/c1-17-7-8-18-14-5-3-2-4-12(14)10-16-13(6-9-19-16)15(18)11-17/h2-6,9,15H,7-8,10-11H2,1H3
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n/an/a 300n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro binding affinity towards alpha-adreno ceptor of rat forebrain using [3H]prazosin


J Med Chem 26: 1116-22 (1983)


BindingDB Entry DOI: 10.7270/Q2SN07ZR
More data for this
Ligand-Target Pair
Alpha-1A/Alpha-2A adrenergic receptor


(CALF-BOVINE)
BDBM50027227
PNG
(3-Methyl-1,2,3,4,4a,8-hexahydro-5-thia-3,12b-diaza...)
Show SMILES CN1CCN2C(C1)c1sccc1Cc1ccccc21
Show InChI InChI=1S/C16H18N2S/c1-17-7-8-18-14-5-3-2-4-12(14)10-13-6-9-19-16(13)15(18)11-17/h2-6,9,15H,7-8,10-11H2,1H3
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n/an/a 500n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro binding affinity of alpha-adrenoceptor by interacting with high affinity [3H]5-HT from calf caudate nucleus


J Med Chem 26: 1116-22 (1983)


BindingDB Entry DOI: 10.7270/Q2SN07ZR
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor/Alpha-1B adrenergic receptor/Alpha-1D adrenergic receptor/Alpha-2A adrenergic receptor [16-465]/Alpha-2B adrenergic receptor/Alpha-2C adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat)-RA...)
BDBM31005
PNG
(2-methyl-1,2,3,4,10,14b-hexahydrodibenzo[c,f]pyraz...)
Show SMILES Cl.CN1CCN2C(C1)c1ccccc1Cc1ccccc21
Show InChI InChI=1S/C18H20N2.ClH/c1-19-10-11-20-17-9-5-3-7-15(17)12-14-6-2-4-8-16(14)18(20)13-19;/h2-9,18H,10-13H2,1H3;1H
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n/an/a 1.20E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro binding affinity towards alpha-adreno ceptor of rat forebrain using [3H]prazosin


J Med Chem 26: 1116-22 (1983)


BindingDB Entry DOI: 10.7270/Q2SN07ZR
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor/Alpha-1B adrenergic receptor/Alpha-1D adrenergic receptor/Alpha-2A adrenergic receptor [16-465]/Alpha-2B adrenergic receptor/Alpha-2C adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat)-RA...)
BDBM50027227
PNG
(3-Methyl-1,2,3,4,4a,8-hexahydro-5-thia-3,12b-diaza...)
Show SMILES CN1CCN2C(C1)c1sccc1Cc1ccccc21
Show InChI InChI=1S/C16H18N2S/c1-17-7-8-18-14-5-3-2-4-12(14)10-13-6-9-19-16(13)15(18)11-17/h2-6,9,15H,7-8,10-11H2,1H3
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n/an/a 1.40E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro binding affinity towards alpha-adreno ceptor of rat forebrain using [3H]prazosin


J Med Chem 26: 1116-22 (1983)


BindingDB Entry DOI: 10.7270/Q2SN07ZR
More data for this
Ligand-Target Pair
Histamine H2 receptor


(Cavia porcellus (domestic guinea pig))
BDBM31005
PNG
(2-methyl-1,2,3,4,10,14b-hexahydrodibenzo[c,f]pyraz...)
Show SMILES Cl.CN1CCN2C(C1)c1ccccc1Cc1ccccc21
Show InChI InChI=1S/C18H20N2.ClH/c1-19-10-11-20-17-9-5-3-7-15(17)12-14-6-2-4-8-16(14)18(20)13-19;/h2-9,18H,10-13H2,1H3;1H
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n/an/a 3.80E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro antihistamine activity by activation of 4-methylhistamine mediated by Histamine H2 receptor


J Med Chem 26: 1116-22 (1983)


BindingDB Entry DOI: 10.7270/Q2SN07ZR
More data for this
Ligand-Target Pair
Histamine H2 receptor


(Cavia porcellus (domestic guinea pig))
BDBM50027226
PNG
(3-Methyl-1,2,3,4,4a,8-hexahydro-7-thia-3,12b-diaza...)
Show SMILES CN1CCN2C(C1)c1ccsc1Cc1ccccc21
Show InChI InChI=1S/C16H18N2S/c1-17-7-8-18-14-5-3-2-4-12(14)10-16-13(6-9-19-16)15(18)11-17/h2-6,9,15H,7-8,10-11H2,1H3
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n/an/a 7.20E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro antihistamine activity by activation of 4-methylhistamine mediated by Histamine H2 receptor


J Med Chem 26: 1116-22 (1983)


BindingDB Entry DOI: 10.7270/Q2SN07ZR
More data for this
Ligand-Target Pair
Histamine H2 receptor


(Cavia porcellus (domestic guinea pig))
BDBM50027227
PNG
(3-Methyl-1,2,3,4,4a,8-hexahydro-5-thia-3,12b-diaza...)
Show SMILES CN1CCN2C(C1)c1sccc1Cc1ccccc21
Show InChI InChI=1S/C16H18N2S/c1-17-7-8-18-14-5-3-2-4-12(14)10-13-6-9-19-16(13)15(18)11-17/h2-6,9,15H,7-8,10-11H2,1H3
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n/an/a 1.90E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro antihistamine activity by activation of 4-methylhistamine mediated by Histamine H2 receptor


J Med Chem 26: 1116-22 (1983)


BindingDB Entry DOI: 10.7270/Q2SN07ZR
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%