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Compile Data Set for Download or QSAR

Found 10 hits of kd data for polymerid = 50006506   
Target
(Institution)
LigandTarget
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
Adrenergic receptor alpha


(Homo sapiens)
BDBM69602
PNG
(2,3-dihydro-1,4-benzodioxin-3-ylmethyl-[2-(2,6-dim...)
Show SMILES COc1cccc(OC)c1OCCNCC1COc2ccccc2O1
Show InChI InChI=1S/C19H23NO5/c1-21-17-8-5-9-18(22-2)19(17)23-11-10-20-12-14-13-24-15-6-3-4-7-16(15)25-14/h3-9,14,20H,10-13H2,1-2H3
MMDB

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n/an/an/a 0.631n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity to alpha-adrenergic receptor (unknown origin) in central nervous system


J Med Chem 22: 1125-7 (1979)

More data for this
Ligand-Target Pair
Adrenergic receptor alpha


(Homo sapiens)
BDBM31046
PNG
(3-[4,5-dihydro-1H-imidazol-2-ylmethyl-(4-methylphe...)
Show SMILES Cc1ccc(cc1)N(CC1=NCCN1)c1cccc(O)c1
Show InChI InChI=1S/C17H19N3O/c1-13-5-7-14(8-6-13)20(12-17-18-9-10-19-17)15-3-2-4-16(21)11-15/h2-8,11,21H,9-10,12H2,1H3,(H,18,19)
MMDB

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n/an/an/a 3.70n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Evaluated for norepinephrine as agonist.


J Med Chem 25: 670-9 (1982)

More data for this
Ligand-Target Pair
Adrenergic receptor alpha


(Homo sapiens)
BDBM50452139
PNG
(Acetoxythymoxamine | MOXISYLYTE | Moxisylyte | Mox...)
Show SMILES CC(C)c1cc(OC(C)=O)c(C)cc1OCCN(C)C
Show InChI InChI=1S/C16H25NO3/c1-11(2)14-10-15(20-13(4)18)12(3)9-16(14)19-8-7-17(5)6/h9-11H,7-8H2,1-6H3
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n/an/an/a 32n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro relative blocking action (pA2) of the post-synaptic Alpha-1 adrenergic receptor from rat and rabbit aorta


J Med Chem 25: 670-9 (1982)

More data for this
Ligand-Target Pair
Adrenergic receptor alpha


(Homo sapiens)
BDBM25758
PNG
(2-hydroxy-5-{1-hydroxy-2-[(4-phenylbutan-2-yl)amin...)
Show SMILES CC(CCc1ccccc1)NCC(O)c1ccc(O)c(c1)C(N)=O
Show InChI InChI=1S/C19H24N2O3/c1-13(7-8-14-5-3-2-4-6-14)21-12-18(23)15-9-10-17(22)16(11-15)19(20)24/h2-6,9-11,13,18,21-23H,7-8,12H2,1H3,(H2,20,24)
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n/an/an/a 35n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Evaluated for norepinephrine as agonist.


J Med Chem 25: 670-9 (1982)

More data for this
Ligand-Target Pair
Adrenergic receptor alpha


(Homo sapiens)
BDBM25758
PNG
(2-hydroxy-5-{1-hydroxy-2-[(4-phenylbutan-2-yl)amin...)
Show SMILES CC(CCc1ccccc1)NCC(O)c1ccc(O)c(c1)C(N)=O
Show InChI InChI=1S/C19H24N2O3/c1-13(7-8-14-5-3-2-4-6-14)21-12-18(23)15-9-10-17(22)16(11-15)19(20)24/h2-6,9-11,13,18,21-23H,7-8,12H2,1H3,(H2,20,24)
MMDB

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n/an/an/a 36n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Evaluated for norepinephrine as agonist.


J Med Chem 25: 670-9 (1982)

More data for this
Ligand-Target Pair
Adrenergic receptor alpha


(Homo sapiens)
BDBM25758
PNG
(2-hydroxy-5-{1-hydroxy-2-[(4-phenylbutan-2-yl)amin...)
Show SMILES CC(CCc1ccccc1)NCC(O)c1ccc(O)c(c1)C(N)=O
Show InChI InChI=1S/C19H24N2O3/c1-13(7-8-14-5-3-2-4-6-14)21-12-18(23)15-9-10-17(22)16(11-15)19(20)24/h2-6,9-11,13,18,21-23H,7-8,12H2,1H3,(H2,20,24)
MMDB

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n/an/an/a 38n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Evaluated for norepinephrine as agonist.


J Med Chem 25: 670-9 (1982)

More data for this
Ligand-Target Pair
Adrenergic receptor alpha


(Homo sapiens)
BDBM50017720
PNG
(1-(2,3-Dihydro-benzo[1,4]dioxin-2-ylmethyl)-piperi...)
Show SMILES C(C1COc2ccccc2O1)N1CCCCC1
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
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n/an/an/a 316n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro relative blocking action (pA2) of the post-synaptic Alpha adrenergic receptor from rat and rabbit aorta.


J Med Chem 25: 670-9 (1982)

More data for this
Ligand-Target Pair
Adrenergic receptor alpha


(Homo sapiens)
BDBM50452419
PNG
(CHEMBL1203618)
Show SMILES COc1cc2C[C@H](O)[C@H](Cc2cc1OC)NCCC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C27H31NO3.ClH/c1-30-26-17-21-15-24(25(29)16-22(21)18-27(26)31-2)28-14-13-23(19-9-5-3-6-10-19)20-11-7-4-8-12-20;/h3-12,17-18,23-25,28-29H,13-16H2,1-2H3;1H/t24-,25-;/m0./s1
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n/an/an/a 1.00E+3n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for the alpha-Adrenoceptor pA2 blocking activity in vitro in rabbit thoracic aorta


J Med Chem 30: 627-35 (1987)

More data for this
Ligand-Target Pair
Adrenergic receptor alpha


(Homo sapiens)
BDBM81939
PNG
(CAS_52-53-9 | NSC_62969 | VERAPAMIL)
Show SMILES COc1ccc(CCN(C)CCCC(C#N)(C(C)C)c2ccc(OC)c(OC)c2)cc1OC
Show InChI InChI=1S/C27H38N2O4/c1-20(2)27(19-28,22-10-12-24(31-5)26(18-22)33-7)14-8-15-29(3)16-13-21-9-11-23(30-4)25(17-21)32-6/h9-12,17-18,20H,8,13-16H2,1-7H3
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n/an/an/a 1.00E+3n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for the alpha-Adrenoceptor pA2 blocking activity in vitro in rabbit thoracic aorta


J Med Chem 30: 627-35 (1987)

More data for this
Ligand-Target Pair
Adrenergic receptor alpha


(Homo sapiens)
BDBM25761
PNG
(Anapriline | Avlocardyl | CHEMBL27 | PROPANOLOL(-)...)
Show SMILES CC(C)NCC(O)COc1cccc2ccccc12
Show InChI InChI=1S/C16H21NO2/c1-12(2)17-10-14(18)11-19-16-9-5-7-13-6-3-4-8-15(13)16/h3-9,12,14,17-18H,10-11H2,1-2H3
MMDB

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n/an/an/a>1.00E+5n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Evaluated for norepinephrine as agonist.


J Med Chem 25: 670-9 (1982)

More data for this
Ligand-Target Pair