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Compile Data Set for Download or QSAR

Found 5 hits of kd for UniProtKB: P22086   
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
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...)
BDBM50497037
PNG
(CHEMBL3248387)
Show SMILES C([C@H]1COc2ccccc2O1)N1CCN(C[C@H]2COc3ccccc3O2)CC1 |r|
Show InChI InChI=1S/C22H26N2O4/c1-3-7-21-19(5-1)25-15-17(27-21)13-23-9-11-24(12-10-23)14-18-16-26-20-6-2-4-8-22(20)28-18/h1-8,17-18H,9-16H2/t17-,18-/m0/s1
PDB

UniProtKB/SwissProt

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UniChem
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n/an/an/a 141n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]dihydroazapetine from alpha-adrenoreceptor in rat vas deferens


J Med Chem 20: 880-5 (1977)


Article DOI: 10.1021/jm00217a002
BindingDB Entry DOI: 10.7270/Q251426J
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...)
BDBM50497038
PNG
(CHEMBL3248388)
Show SMILES C([C@@H]1COc2ccccc2O1)N1CCN(C[C@@H]2COc3ccccc3O2)CC1 |r|
Show InChI InChI=1S/C22H26N2O4/c1-3-7-21-19(5-1)25-15-17(27-21)13-23-9-11-24(12-10-23)14-18-16-26-20-6-2-4-8-22(20)28-18/h1-8,17-18H,9-16H2/t17-,18-/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
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PC cid
PC sid
UniChem
Article
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n/an/an/a 562n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]dihydroazapetine from alpha-adrenoreceptor in rat vas deferens


J Med Chem 20: 880-5 (1977)


Article DOI: 10.1021/jm00217a002
BindingDB Entry DOI: 10.7270/Q251426J
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...)
BDBM50497041
PNG
(CHEMBL3248385)
Show SMILES C([C@H]1COc2ccccc2O1)N1CCCCC1 |r|
Show InChI InChI=1S/C14H19NO2/c1-4-8-15(9-5-1)10-12-11-16-13-6-2-3-7-14(13)17-12/h2-3,6-7,12H,1,4-5,8-11H2/t12-/m0/s1
PDB

UniProtKB/SwissProt

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MCE
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 309n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]dihydroazapetine from alpha-adrenoreceptor in rat vas deferens


J Med Chem 20: 880-5 (1977)


Article DOI: 10.1021/jm00217a002
BindingDB Entry DOI: 10.7270/Q251426J
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...)
BDBM50497040
PNG
(CHEMBL3248386)
Show SMILES C([C@@H]1COc2ccccc2O1)N1CCCCC1 |r|
Show InChI InChI=1S/C14H19NO2/c1-4-8-15(9-5-1)10-12-11-16-13-6-2-3-7-14(13)17-12/h2-3,6-7,12H,1,4-5,8-11H2/t12-/m1/s1
PDB

UniProtKB/SwissProt

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MCE
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 1.02E+3n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]dihydroazapetine from alpha-adrenoreceptor in rat vas deferens


J Med Chem 20: 880-5 (1977)


Article DOI: 10.1021/jm00217a002
BindingDB Entry DOI: 10.7270/Q251426J
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...)
BDBM50497039
PNG
(CHEMBL3248383)
Show SMILES CCN(CC)C[C@H]1COc2ccccc2O1 |r|
Show InChI InChI=1S/C13H19NO2/c1-3-14(4-2)9-11-10-15-12-7-5-6-8-13(12)16-11/h5-8,11H,3-4,9-10H2,1-2H3/t11-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 617n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]dihydroazapetine from alpha-adrenoreceptor in rat vas deferens


J Med Chem 20: 880-5 (1977)


Article DOI: 10.1021/jm00217a002
BindingDB Entry DOI: 10.7270/Q251426J
More data for this
Ligand-Target Pair