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PubMed code 6088770

Compile data set for download or QSAR
Found 13 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 adrenergic receptor


(CALF)
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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43n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]-prazosin from calf cerebral cortex alpha-1 adrenergic receptor


J Med Chem 27: 1182-5 (1984)


BindingDB Entry DOI: 10.7270/Q2TM794F
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(CALF)
BDBM50013515
PNG
((+)-yohimbine | (16alpha,17alpha)-17-hydroxyyohimb...)
Show SMILES COC(=O)[C@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@H]12 |r|
Show InChI InChI=1S/C21H26N2O3/c1-26-21(25)19-15-10-17-20-14(13-4-2-3-5-16(13)22-20)8-9-23(17)11-12(15)6-7-18(19)24/h2-5,12,15,17-19,22,24H,6-11H2,1H3/t12-,15-,17-,18-,19+/m0/s1
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200n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]-prazosin from calf cerebral cortex alpha-1 adrenergic receptor


J Med Chem 27: 1182-5 (1984)


BindingDB Entry DOI: 10.7270/Q2TM794F
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(CALF)
BDBM50026633
PNG
(1-(3-Fluoro-pyridin-2-yl)-4-methyl-piperazine | CH...)
Show SMILES CN1CCN(CC1)c1ncccc1F
Show InChI InChI=1S/C10H14FN3/c1-13-5-7-14(8-6-13)10-9(11)3-2-4-12-10/h2-4H,5-8H2,1H3
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490n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]-prazosin from calf cerebral cortex alpha-1 adrenergic receptor


J Med Chem 27: 1182-5 (1984)


BindingDB Entry DOI: 10.7270/Q2TM794F
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(CALF)
BDBM50026636
PNG
(17alpha-hydroxy-20alpha-yohimban-16beta-carboxylic...)
Show SMILES COC(=O)[C@@H]1[C@@H](O)CC[C@@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@H]12 |r|
Show InChI InChI=1S/C21H26N2O3/c1-26-21(25)19-15-10-17-20-14(13-4-2-3-5-16(13)22-20)8-9-23(17)11-12(15)6-7-18(19)24/h2-5,12,15,17-19,22,24H,6-11H2,1H3/t12-,15+,17+,18+,19+/m1/s1
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940n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]-prazosin from calf cerebral cortex alpha-1 adrenergic receptor


J Med Chem 27: 1182-5 (1984)


BindingDB Entry DOI: 10.7270/Q2TM794F
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(CALF)
BDBM50026637
PNG
(3-Chloro-1'-methyl-1',2',3',6'-tetrahydro-[2,4']bi...)
Show SMILES CN1CCC(=CC1)c1ncccc1Cl |c:4|
Show InChI InChI=1S/C11H13ClN2/c1-14-7-4-9(5-8-14)11-10(12)3-2-6-13-11/h2-4,6H,5,7-8H2,1H3
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2.26E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]-prazosin from calf cerebral cortex alpha-1 adrenergic receptor


J Med Chem 27: 1182-5 (1984)


BindingDB Entry DOI: 10.7270/Q2TM794F
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(CALF)
BDBM50026634
PNG
(1-(2-pyridyl)piperazine | 1-(pyridin-2-yl)piperazi...)
Show SMILES C1CN(CCN1)c1ccccn1
Show InChI InChI=1S/C9H13N3/c1-2-4-11-9(3-1)12-7-5-10-6-8-12/h1-4,10H,5-8H2
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2.40E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]-prazosin from calf cerebral cortex alpha-1 adrenergic receptor


J Med Chem 27: 1182-5 (1984)


BindingDB Entry DOI: 10.7270/Q2TM794F
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(CALF)
BDBM50026639
PNG
(1'-Methyl-1',2',3',4',5',6'-hexahydro-[2,4']bipyri...)
Show SMILES CN1CCC(CC1)c1ccccn1
Show InChI InChI=1S/C11H16N2/c1-13-8-5-10(6-9-13)11-4-2-3-7-12-11/h2-4,7,10H,5-6,8-9H2,1H3
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2.50E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]-prazosin from calf cerebral cortex alpha-1 adrenergic receptor


J Med Chem 27: 1182-5 (1984)


BindingDB Entry DOI: 10.7270/Q2TM794F
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(CALF)
BDBM50026635
PNG
(1'-Methyl-1',2',3',6'-tetrahydro-[2,4']bipyridinyl...)
Show SMILES CN1CCC(=CC1)c1ccccn1 |c:4|
Show InChI InChI=1S/C11H14N2/c1-13-8-5-10(6-9-13)11-4-2-3-7-12-11/h2-5,7H,6,8-9H2,1H3
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2.50E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]-prazosin from calf cerebral cortex alpha-1 adrenergic receptor


J Med Chem 27: 1182-5 (1984)


BindingDB Entry DOI: 10.7270/Q2TM794F
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(CALF)
BDBM50026632
PNG
(3,1'-Dimethyl-1',2',3',6'-tetrahydro-[2,4']bipyrid...)
Show SMILES CN1CCC(=CC1)c1ncccc1C |c:4|
Show InChI InChI=1S/C12H16N2/c1-10-4-3-7-13-12(10)11-5-8-14(2)9-6-11/h3-5,7H,6,8-9H2,1-2H3
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2.50E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]-prazosin from calf cerebral cortex alpha-1 adrenergic receptor


J Med Chem 27: 1182-5 (1984)


BindingDB Entry DOI: 10.7270/Q2TM794F
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(CALF)
BDBM50026640
PNG
(3-Fluoro-1'-methyl-1',2',3',6'-tetrahydro-[2,4']bi...)
Show SMILES CN1CCC(=CC1)c1ncccc1F |c:4|
Show InChI InChI=1S/C11H13FN2/c1-14-7-4-9(5-8-14)11-10(12)3-2-6-13-11/h2-4,6H,5,7-8H2,1H3
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3.30E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]-prazosin from calf cerebral cortex alpha-1 adrenergic receptor


J Med Chem 27: 1182-5 (1984)


BindingDB Entry DOI: 10.7270/Q2TM794F
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(CALF)
BDBM50026630
PNG
(1',2',3',6'-Tetrahydro-[2,4']bipyridinyl | CHEMBL2...)
Show SMILES C1CC(=CCN1)c1ccccn1 |c:2|
Show InChI InChI=1S/C10H12N2/c1-2-6-12-10(3-1)9-4-7-11-8-5-9/h1-4,6,11H,5,7-8H2
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4.00E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]-prazosin from calf cerebral cortex alpha-1 adrenergic receptor


J Med Chem 27: 1182-5 (1984)


BindingDB Entry DOI: 10.7270/Q2TM794F
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(CALF)
BDBM50026638
PNG
(1'-Methyl-1',2',3',6'-tetrahydro-[3,4']bipyridinyl...)
Show SMILES CN1CCC(=CC1)c1cccnc1 |c:4|
Show InChI InChI=1S/C11H14N2/c1-13-7-4-10(5-8-13)11-3-2-6-12-9-11/h2-4,6,9H,5,7-8H2,1H3
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4.80E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]-prazosin from calf cerebral cortex alpha-1 adrenergic receptor


J Med Chem 27: 1182-5 (1984)


BindingDB Entry DOI: 10.7270/Q2TM794F
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(CALF)
BDBM50026631
PNG
(3'-Fluoro-1-methyl-1,2,3,6-tetrahydro-[4,4']bipyri...)
Show SMILES CN1CCC(=CC1)c1ccncc1F |c:4|
Show InChI InChI=1S/C11H13FN2/c1-14-6-3-9(4-7-14)10-2-5-13-8-11(10)12/h2-3,5,8H,4,6-7H2,1H3
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7.70E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]-prazosin from calf cerebral cortex alpha-1 adrenergic receptor


J Med Chem 27: 1182-5 (1984)


BindingDB Entry DOI: 10.7270/Q2TM794F
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%