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BDBM25761 Anapriline::Avlocardyl::CHEMBL27::PROPANOLOL(-)::PROPRANOLOL, d::PROPRANOLOL, l-::PROPRANOLOL,(+)::PROPRANOLOL,(-)::Propanolol::Propanolol,(+/-)::Propranolol::[2-hydroxy-3-(naphthalen-1-yloxy)propyl](propan-2-yl)amine

SMILES: CC(C)NCC(O)COc1cccc2ccccc12

InChI Key: InChIKey=AQHHHDLHHXJYJD-UHFFFAOYNA-N

Data: 73 KI  25 IC50  41 Kd  2 EC50

PDB links: 4 PDB IDs match this monomer.

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 141 hits for monomerid = 25761   
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
5-HT5B


(MOUSE)
BDBM25761
PNG
(Anapriline | Avlocardyl | CHEMBL27 | PROPANOLOL(-)...)
Show SMILES CC(C)NCC(O)COc1cccc2ccccc12
Show InChI InChI=1/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
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6.31E+3n/an/an/an/an/an/an/an/a



CNRS

Curated by PDSP Ki Database




Mol Pharmacol 43: 313-9 (1993)


BindingDB Entry DOI: 10.7270/Q2P849D6
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Rattus norvegicus (Rat))
BDBM25761
PNG
(Anapriline | Avlocardyl | CHEMBL27 | PROPANOLOL(-)...)
Show SMILES CC(C)NCC(O)COc1cccc2ccccc12
Show InChI InChI=1/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
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6.90E+3n/an/an/an/an/an/an/an/a



TBA

Curated by PDSP Ki Database




Mol Pharmacol 13: 454-73 (1977)


BindingDB Entry DOI: 10.7270/Q2TT4PFZ
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM25761
PNG
(Anapriline | Avlocardyl | CHEMBL27 | PROPANOLOL(-)...)
Show SMILES CC(C)NCC(O)COc1cccc2ccccc12
Show InChI InChI=1/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
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7.00E+3n/an/an/an/an/an/an/an/a



TBA

Curated by PDSP Ki Database




Life Sci 19: 69-76 (1976)


Article DOI: 10.1016/0024-3205(76)90375-1
BindingDB Entry DOI: 10.7270/Q23B5XNK
More data for this
Ligand-Target Pair
Serotonin 1B/1D receptor


(Rattus norvegicus (Rat))
BDBM25761
PNG
(Anapriline | Avlocardyl | CHEMBL27 | PROPANOLOL(-)...)
Show SMILES CC(C)NCC(O)COc1cccc2ccccc12
Show InChI InChI=1/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
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7.08E+3n/an/an/an/an/an/an/an/a



Niigata College of Pharmacy

Curated by PDSP Ki Database




Jpn J Pharmacol 52: 195-200 (1990)


Article DOI: 10.1254/jjp.52.195
BindingDB Entry DOI: 10.7270/Q2H41PXD
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus (Rat))
BDBM25761
PNG
(Anapriline | Avlocardyl | CHEMBL27 | PROPANOLOL(-)...)
Show SMILES CC(C)NCC(O)COc1cccc2ccccc12
Show InChI InChI=1/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
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9.70E+3n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]CGP12177 from beta1 adrenergic receptor in rat cerebral cortex by liquid scintillation counting


Bioorg Med Chem 17: 1345-52 (2009)


Article DOI: 10.1016/j.bmc.2008.12.031
BindingDB Entry DOI: 10.7270/Q2KP8213
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM25761
PNG
(Anapriline | Avlocardyl | CHEMBL27 | PROPANOLOL(-)...)
Show SMILES CC(C)NCC(O)COc1cccc2ccccc12
Show InChI InChI=1/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
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>1.00E+4n/an/an/an/an/an/an/an/a



Mayo Foundation

Curated by PDSP Ki Database




Brain Res 304: 1-7 (1984)


Article DOI: 10.1016/0006-8993(84)90856-4
BindingDB Entry DOI: 10.7270/Q21N7ZMS
More data for this
Ligand-Target Pair
5-HT5


(MOUSE)
BDBM25761
PNG
(Anapriline | Avlocardyl | CHEMBL27 | PROPANOLOL(-)...)
Show SMILES CC(C)NCC(O)COc1cccc2ccccc12
Show InChI InChI=1/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
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>1.00E+4n/an/an/an/an/an/an/an/a



CNRS

Curated by PDSP Ki Database




EMBO J 11: 4779-86 (1992)


BindingDB Entry DOI: 10.7270/Q2CF9NMV
More data for this
Ligand-Target Pair
DRD1


(BOVINE)
BDBM25761
PNG
(Anapriline | Avlocardyl | CHEMBL27 | PROPANOLOL(-)...)
Show SMILES CC(C)NCC(O)COc1cccc2ccccc12
Show InChI InChI=1/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
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>1.00E+4n/an/an/an/an/an/an/an/a



University of Nebraska

Curated by PDSP Ki Database




J Pharmacol Exp Ther 253: 214-20 (1990)


BindingDB Entry DOI: 10.7270/Q2PN9447
More data for this
Ligand-Target Pair
Calcium channel


(RAT)
BDBM25761
PNG
(Anapriline | Avlocardyl | CHEMBL27 | PROPANOLOL(-)...)
Show SMILES CC(C)NCC(O)COc1cccc2ccccc12
Show InChI InChI=1/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
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>1.00E+4n/an/an/an/an/an/an/an/a



Marion Merrell Dow Inc.

Curated by PDSP Ki Database




J Pharmacol Exp Ther 253: 461-5 (1990)


BindingDB Entry DOI: 10.7270/Q2SF2TPW
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM25761
PNG
(Anapriline | Avlocardyl | CHEMBL27 | PROPANOLOL(-)...)
Show SMILES CC(C)NCC(O)COc1cccc2ccccc12
Show InChI InChI=1/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
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>1.00E+4n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Competitive binding assay against Dopamine receptor D2 in rat striatal membranes and [125I]-IBF radioligand


J Med Chem 33: 171-8 (1990)


Article DOI: 10.1021/jm00163a029
BindingDB Entry DOI: 10.7270/Q2280860
More data for this
Ligand-Target Pair
DRD1


(BOVINE)
BDBM25761
PNG
(Anapriline | Avlocardyl | CHEMBL27 | PROPANOLOL(-)...)
Show SMILES CC(C)NCC(O)COc1cccc2ccccc12
Show InChI InChI=1/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
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>1.00E+4n/an/an/an/an/an/an/an/a



TBA

Curated by PDSP Ki Database




Mol Pharmacol 12: 800-12 (1976)


BindingDB Entry DOI: 10.7270/Q22B8WH6
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Homo sapiens (Human))
BDBM25761
PNG
(Anapriline | Avlocardyl | CHEMBL27 | PROPANOLOL(-)...)
Show SMILES CC(C)NCC(O)COc1cccc2ccccc12
Show InChI InChI=1/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
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>1.00E+4n/an/an/an/an/an/an/an/a



Medical College of Virginia/Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Agonist activity to the human recombinant 5-hydroxytryptamine 1B receptor


J Med Chem 40: 4415-9 (1998)


Article DOI: 10.1021/jm970507t
BindingDB Entry DOI: 10.7270/Q2Z038TH
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Homo sapiens (Human))
BDBM25761
PNG
(Anapriline | Avlocardyl | CHEMBL27 | PROPANOLOL(-)...)
Show SMILES CC(C)NCC(O)COc1cccc2ccccc12
Show InChI InChI=1/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
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>1.00E+4n/an/an/an/an/an/an/an/a



University of Alberta

Curated by PDSP Ki Database




Neuropharmacology 33: 275-317 (1994)


Article DOI: 10.1016/0028-3908(94)90059-0
BindingDB Entry DOI: 10.7270/Q2M043X2
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Homo sapiens (Human))
BDBM25761
PNG
(Anapriline | Avlocardyl | CHEMBL27 | PROPANOLOL(-)...)
Show SMILES CC(C)NCC(O)COc1cccc2ccccc12
Show InChI InChI=1/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
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>1.00E+4n/an/an/an/an/an/an/an/a



University of Alberta

Curated by PDSP Ki Database




Neuropharmacology 33: 275-317 (1994)


Article DOI: 10.1016/0028-3908(94)90059-0
BindingDB Entry DOI: 10.7270/Q2M043X2
More data for this
Ligand-Target Pair
HTR6


(MOUSE)
BDBM25761
PNG
(Anapriline | Avlocardyl | CHEMBL27 | PROPANOLOL(-)...)
Show SMILES CC(C)NCC(O)COc1cccc2ccccc12
Show InChI InChI=1/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
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>1.00E+4n/an/an/an/an/an/an/an/a



CNRS

Curated by PDSP Ki Database




Mol Pharmacol 44: 229-36 (1993)


Article DOI: 10.1016/j.chembiol.2014.04.010
BindingDB Entry DOI: 10.7270/Q2KH0KTV
More data for this
Ligand-Target Pair
5-HT5


(MOUSE)
BDBM25761
PNG
(Anapriline | Avlocardyl | CHEMBL27 | PROPANOLOL(-)...)
Show SMILES CC(C)NCC(O)COc1cccc2ccccc12
Show InChI InChI=1/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
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>1.00E+4n/an/an/an/an/an/an/an/a



CNRS

Curated by PDSP Ki Database




Mol Pharmacol 43: 313-9 (1993)


BindingDB Entry DOI: 10.7270/Q2P849D6
More data for this
Ligand-Target Pair
ADRB2


(Rattus norvegicus)
BDBM25761
PNG
(Anapriline | Avlocardyl | CHEMBL27 | PROPANOLOL(-)...)
Show SMILES CC(C)NCC(O)COc1cccc2ccccc12
Show InChI InChI=1/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
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>1.00E+4n/an/an/an/an/an/an/an/a



Whitby Research, Inc.

Curated by PDSP Ki Database




J Pharmacol Exp Ther 265: 227-36 (1993)


Article DOI: 10.1021/cb500956g
BindingDB Entry DOI: 10.7270/Q23J3BGM
More data for this
Ligand-Target Pair
5-HT3A Serotonin Receptor


(Mus musculus (house mouse))
BDBM25761
PNG
(Anapriline | Avlocardyl | CHEMBL27 | PROPANOLOL(-)...)
Show SMILES CC(C)NCC(O)COc1cccc2ccccc12
Show InChI InChI=1/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
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SRI International

Curated by PDSP Ki Database




NIDA Res Monogr 178: 440-66 (1998)


BindingDB Entry DOI: 10.7270/Q23J3BH2
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM25761
PNG
(Anapriline | Avlocardyl | CHEMBL27 | PROPANOLOL(-)...)
Show SMILES CC(C)NCC(O)COc1cccc2ccccc12
Show InChI InChI=1/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
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SRI International

Curated by PDSP Ki Database




NIDA Res Monogr 178: 440-66 (1998)


BindingDB Entry DOI: 10.7270/Q23J3BH2
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM25761
PNG
(Anapriline | Avlocardyl | CHEMBL27 | PROPANOLOL(-)...)
Show SMILES CC(C)NCC(O)COc1cccc2ccccc12
Show InChI InChI=1/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
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SRI International

Curated by PDSP Ki Database




NIDA Res Monogr 178: 440-66 (1998)


BindingDB Entry DOI: 10.7270/Q23J3BH2
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM25761
PNG
(Anapriline | Avlocardyl | CHEMBL27 | PROPANOLOL(-)...)
Show SMILES CC(C)NCC(O)COc1cccc2ccccc12
Show InChI InChI=1/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
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>1.00E+4n/an/an/an/an/an/an/an/a



University of North Texas

Curated by PDSP Ki Database




Synapse 38: 438-49 (2000)


Article DOI: 10.1002/1098-2396(20001215)38:4
BindingDB Entry DOI: 10.7270/Q2SN07HX
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM25761
PNG
(Anapriline | Avlocardyl | CHEMBL27 | PROPANOLOL(-)...)
Show SMILES CC(C)NCC(O)COc1cccc2ccccc12
Show InChI InChI=1/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
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PubMed
1.29E+4n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Inhibitory constant against binding of [125I]- IBZM to D2 receptor in rat striatal membrane


J Med Chem 31: 1039-43 (1988)


Article DOI: 10.1021/jm00400a027
BindingDB Entry DOI: 10.7270/Q2C24X1V
More data for this
Ligand-Target Pair
P-glycoprotein 1


(Homo sapiens (Human))
BDBM25761
PNG
(Anapriline | Avlocardyl | CHEMBL27 | PROPANOLOL(-)...)
Show SMILES CC(C)NCC(O)COc1cccc2ccccc12
Show InChI InChI=1/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
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4.80E+4n/an/an/an/an/an/an/an/a



Bulgarian Academy of Sciences

Curated by ChEMBL


Assay Description
High affinity constant at binding site of human P-Glycoprotein (P-gp) in two-affinity model


J Med Chem 45: 5671-86 (2002)


Article DOI: 10.1021/jm020941h
BindingDB Entry DOI: 10.7270/Q23B60VG
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))
BDBM25761
PNG
(Anapriline | Avlocardyl | CHEMBL27 | PROPANOLOL(-)...)
Show SMILES CC(C)NCC(O)COc1cccc2ccccc12
Show InChI InChI=1/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
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n/an/an/a 6.90n/an/an/a7.437



University of Nottingham



Assay Description
The whole cell-binding studies were undertaken in CHO cell lines stably expressing each beta-adrenoceptor subtype. Nonspecific binding was determined...


Br J Pharmacol 144: 317-22 (2005)


Article DOI: 10.1038/sj.bjp.0706048
BindingDB Entry DOI: 10.7270/Q28C9TKV
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM25761
PNG
(Anapriline | Avlocardyl | CHEMBL27 | PROPANOLOL(-)...)
Show SMILES CC(C)NCC(O)COc1cccc2ccccc12
Show InChI InChI=1/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
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n/an/an/a 0.830n/an/an/an/an/a



University of Nottingham



Assay Description
The whole cell-binding studies were undertaken in CHO cell lines stably expressing each beta-adrenoceptor subtype. Nonspecific binding was determined...


Br J Pharmacol 144: 317-22 (2005)


Article DOI: 10.1038/sj.bjp.0706048
BindingDB Entry DOI: 10.7270/Q28C9TKV
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM25761
PNG
(Anapriline | Avlocardyl | CHEMBL27 | PROPANOLOL(-)...)
Show SMILES CC(C)NCC(O)COc1cccc2ccccc12
Show InChI InChI=1/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
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n/an/an/a 117n/an/an/an/an/a



University of Nottingham



Assay Description
The whole cell-binding studies were undertaken in CHO cell lines stably expressing each beta-adrenoceptor subtype. Nonspecific binding was determined...


Br J Pharmacol 144: 317-22 (2005)


Article DOI: 10.1038/sj.bjp.0706048
BindingDB Entry DOI: 10.7270/Q28C9TKV
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(GUINEA PIG)
BDBM25761
PNG
(Anapriline | Avlocardyl | CHEMBL27 | PROPANOLOL(-)...)
Show SMILES CC(C)NCC(O)COc1cccc2ccccc12
Show InChI InChI=1/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
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n/an/an/a 13n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Cardioselectivity for the beta-1 adrenergic receptor was determined against isoprenaline (antagonism) in isolated guinea pig trachea


J Med Chem 30: 1003-11 (1987)


Article DOI: 10.1021/jm00389a008
BindingDB Entry DOI: 10.7270/Q2251KC9
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus (Rat))
BDBM25761
PNG
(Anapriline | Avlocardyl | CHEMBL27 | PROPANOLOL(-)...)
Show SMILES CC(C)NCC(O)COc1cccc2ccccc12
Show InChI InChI=1/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
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n/an/an/a 4.40n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Cardioselectivity for the beta-1 adrenergic receptor was determined against isoprenaline (antagonism) in isolated rat atria


J Med Chem 30: 1003-11 (1987)


Article DOI: 10.1021/jm00389a008
BindingDB Entry DOI: 10.7270/Q2251KC9
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(GUINEA PIG)
BDBM25761
PNG
(Anapriline | Avlocardyl | CHEMBL27 | PROPANOLOL(-)...)
Show SMILES CC(C)NCC(O)COc1cccc2ccccc12
Show InChI InChI=1/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
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n/an/an/a 2.40n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Antagonism of the isoprenaline-induced positive chronotropic effect on the atria of guinea pig


J Med Chem 23: 620-4 (1980)


Article DOI: 10.1021/jm00180a007
BindingDB Entry DOI: 10.7270/Q2Q52QT2
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(GUINEA PIG)
BDBM25761
PNG
(Anapriline | Avlocardyl | CHEMBL27 | PROPANOLOL(-)...)
Show SMILES CC(C)NCC(O)COc1cccc2ccccc12
Show InChI InChI=1/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
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n/an/an/a 8.70n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Antagonist activity of compound against Beta-1 adrenergic receptor in isolated guinea pig left atria


J Med Chem 24: 994-8 (1982)


Article DOI: 10.1021/jm00140a015
BindingDB Entry DOI: 10.7270/Q2JH3ND4
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(GUINEA PIG)
BDBM25761
PNG
(Anapriline | Avlocardyl | CHEMBL27 | PROPANOLOL(-)...)
Show SMILES CC(C)NCC(O)COc1cccc2ccccc12
Show InChI InChI=1/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
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n/an/an/a 2n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to block Beta-1 adrenergic receptor in guinea pig right atria preparation


J Med Chem 25: 1408-12 (1983)


Article DOI: 10.1021/jm00354a003
BindingDB Entry DOI: 10.7270/Q2S183PB
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(GUINEA PIG)
BDBM25761
PNG
(Anapriline | Avlocardyl | CHEMBL27 | PROPANOLOL(-)...)
Show SMILES CC(C)NCC(O)COc1cccc2ccccc12
Show InChI InChI=1/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
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n/an/an/a 2.5n/an/an/an/an/a



Universidad de Barcelona

Curated by ChEMBL


Assay Description
Beta-1 adrenergic receptor activitation measured by isoprenaline-induced positive inotropic effect in guinea pig left atrium


J Med Chem 31: 2122-6 (1988)


Article DOI: 10.1021/jm00119a011
BindingDB Entry DOI: 10.7270/Q2J67J4Q
More data for this
Ligand-Target Pair
Alpha-2B adrenergic receptor


(Homo sapiens (Human))
BDBM25761
PNG
(Anapriline | Avlocardyl | CHEMBL27 | PROPANOLOL(-)...)
Show SMILES CC(C)NCC(O)COc1cccc2ccccc12
Show InChI InChI=1/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
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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)


Article DOI: 10.1021/jm00348a013
BindingDB Entry DOI: 10.7270/Q2T1555M
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(GUINEA PIG)
BDBM25761
PNG
(Anapriline | Avlocardyl | CHEMBL27 | PROPANOLOL(-)...)
Show SMILES CC(C)NCC(O)COc1cccc2ccccc12
Show InChI InChI=1/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
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n/an/an/a 1.70n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro beta-1 adrenergic receptor activity was determined via inhibition of the positive chronotropic actions of isoproterenol in isolated guinea p...


J Med Chem 26: 950-7 (1983)


Article DOI: 10.1021/jm00361a004
BindingDB Entry DOI: 10.7270/Q2GH9K4C
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(GUINEA PIG)
BDBM25761
PNG
(Anapriline | Avlocardyl | CHEMBL27 | PROPANOLOL(-)...)
Show SMILES CC(C)NCC(O)COc1cccc2ccccc12
Show InChI InChI=1/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
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n/an/an/a 2.40n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Beta-1 adrenergic receptor blocking activity in atria of guinea pig.


J Med Chem 27: 1291-4 (1984)


Article DOI: 10.1021/jm00376a011
BindingDB Entry DOI: 10.7270/Q23779W0
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(GUINEA PIG)
BDBM25761
PNG
(Anapriline | Avlocardyl | CHEMBL27 | PROPANOLOL(-)...)
Show SMILES CC(C)NCC(O)COc1cccc2ccccc12
Show InChI InChI=1/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
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n/an/an/a 3.10n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for competitive antagonism of beta-1 adrenergic receptor in guinea pig atria measured as pA2 (-log KB)


J Med Chem 27: 857-61 (1984)


Article DOI: 10.1021/jm00373a008
BindingDB Entry DOI: 10.7270/Q22B906S
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(GUINEA PIG)
BDBM25761
PNG
(Anapriline | Avlocardyl | CHEMBL27 | PROPANOLOL(-)...)
Show SMILES CC(C)NCC(O)COc1cccc2ccccc12
Show InChI InChI=1/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
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n/an/an/a 2.40n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against beta-1 adrenergic receptor determined as pA2 in guinea pig atria


J Med Chem 28: 896-900 (1985)


Article DOI: 10.1021/jm00145a008
BindingDB Entry DOI: 10.7270/Q2N29Z3J
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Canis familiaris)
BDBM25761
PNG
(Anapriline | Avlocardyl | CHEMBL27 | PROPANOLOL(-)...)
Show SMILES CC(C)NCC(O)COc1cccc2ccccc12
Show InChI InChI=1/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
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n/an/a 17n/an/an/an/an/an/a



Berlex Laboratories

Curated by ChEMBL


Assay Description
Tested for Beta-2 adrenergic receptor selectivity in canine lung tissue in anesthetized dogs


J Med Chem 33: 2883-91 (1990)


Article DOI: 10.1021/jm00172a033
BindingDB Entry DOI: 10.7270/Q2416XN5
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(GUINEA PIG)
BDBM25761
PNG
(Anapriline | Avlocardyl | CHEMBL27 | PROPANOLOL(-)...)
Show SMILES CC(C)NCC(O)COc1cccc2ccccc12
Show InChI InChI=1/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
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n/an/an/a 1.70n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against beta-1 adrenergic receptor measured by inhibition of positive chronotropic effect of isoproterenolin in isolated...


J Med Chem 29: 1065-80 (1986)


Article DOI: 10.1021/jm00156a028
BindingDB Entry DOI: 10.7270/Q2BP0408
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus (Rat))
BDBM25761
PNG
(Anapriline | Avlocardyl | CHEMBL27 | PROPANOLOL(-)...)
Show SMILES CC(C)NCC(O)COc1cccc2ccccc12
Show InChI InChI=1/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
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n/an/an/a 2.63E+3n/an/an/an/an/a



University of Grenoble

Curated by ChEMBL


Assay Description
Beta-1 adrenergic receptor-Antagonism in isolated rat heart ventricle. ( for S-enantiomer)


J Med Chem 41: 1613-8 (1998)


Article DOI: 10.1021/jm970338c
BindingDB Entry DOI: 10.7270/Q2416W5G
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus (Rat))
BDBM25761
PNG
(Anapriline | Avlocardyl | CHEMBL27 | PROPANOLOL(-)...)
Show SMILES CC(C)NCC(O)COc1cccc2ccccc12
Show InChI InChI=1/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
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n/an/an/a 2.40n/an/an/an/an/a



University of Grenoble

Curated by ChEMBL


Assay Description
Beta-1 adrenergic receptor-Antagonism in isolated rat heart ventricle. ( for R-enantiomer)


J Med Chem 41: 1613-8 (1998)


Article DOI: 10.1021/jm970338c
BindingDB Entry DOI: 10.7270/Q2416W5G
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM25761
PNG
(Anapriline | Avlocardyl | CHEMBL27 | PROPANOLOL(-)...)
Show SMILES CC(C)NCC(O)COc1cccc2ccccc12
Show InChI InChI=1/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
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n/an/an/a 7.90n/an/an/an/an/a



Instituto Polit£cnico Nacional

Curated by ChEMBL


Assay Description
Binding affinity to human adrenergic beta2 receptor


Eur J Med Chem 44: 2840-6 (2009)


Article DOI: 10.1016/j.ejmech.2008.12.016
BindingDB Entry DOI: 10.7270/Q2FQ9XJN
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM25761
PNG
(Anapriline | Avlocardyl | CHEMBL27 | PROPANOLOL(-)...)
Show SMILES CC(C)NCC(O)COc1cccc2ccccc12
Show InChI InChI=1/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
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n/an/an/a 0.240n/an/an/an/an/a



University of Nottingham

Curated by ChEMBL


Assay Description
Antagonist activity at human beta-2 adrenergic receptor expressed in salbutamol-stimulated CHO-K1 cells assessed as CRE-SPAP level by fluorescence co...


J Med Chem 54: 6874-87 (2011)


Article DOI: 10.1021/jm2008562
BindingDB Entry DOI: 10.7270/Q29S1SBQ
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM25761
PNG
(Anapriline | Avlocardyl | CHEMBL27 | PROPANOLOL(-)...)
Show SMILES CC(C)NCC(O)COc1cccc2ccccc12
Show InChI InChI=1/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
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n/an/an/a 0.603n/an/an/an/an/a



University of Nottingham

Curated by ChEMBL


Assay Description
Displacement of [3H]-CGP 12177 from human beta-2 adrenergic receptor expressed in CHOK1 cells


J Med Chem 54: 6874-87 (2011)


Article DOI: 10.1021/jm2008562
BindingDB Entry DOI: 10.7270/Q29S1SBQ
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))
BDBM25761
PNG
(Anapriline | Avlocardyl | CHEMBL27 | PROPANOLOL(-)...)
Show SMILES CC(C)NCC(O)COc1cccc2ccccc12
Show InChI InChI=1/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
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n/an/an/a 1.80n/an/an/an/an/a



University of Nottingham

Curated by ChEMBL


Assay Description
Antagonist activity at human beta-1 adrenergic receptor site 1 expressed in cimeterol-stimulated CHO-K1 cells assessed as CRE-SPAP level by fluoresce...


J Med Chem 54: 6874-87 (2011)


Article DOI: 10.1021/jm2008562
BindingDB Entry DOI: 10.7270/Q29S1SBQ
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM25761
PNG
(Anapriline | Avlocardyl | CHEMBL27 | PROPANOLOL(-)...)
Show SMILES CC(C)NCC(O)COc1cccc2ccccc12
Show InChI InChI=1/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
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n/an/an/a 214n/an/an/an/an/a



University of Nottingham

Curated by ChEMBL


Assay Description
Displacement of [3H]-CGP 12177 from human beta-3 adrenergic receptor expressed in CHOK1 cells


J Med Chem 54: 6874-87 (2011)


Article DOI: 10.1021/jm2008562
BindingDB Entry DOI: 10.7270/Q29S1SBQ
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))
BDBM25761
PNG
(Anapriline | Avlocardyl | CHEMBL27 | PROPANOLOL(-)...)
Show SMILES CC(C)NCC(O)COc1cccc2ccccc12
Show InChI InChI=1/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
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n/an/an/a 6n/an/an/an/an/a



University of Nottingham

Curated by ChEMBL


Assay Description
Displacement of [3H]-CGP 12177 from human beta-1 adrenergic receptor expressed in CHOK1 cells


J Med Chem 54: 6874-87 (2011)


Article DOI: 10.1021/jm2008562
BindingDB Entry DOI: 10.7270/Q29S1SBQ
More data for this
Ligand-Target Pair
Cytochrome P450 2D6 (2D6)


(Homo sapiens (Human))
BDBM25761
PNG
(Anapriline | Avlocardyl | CHEMBL27 | PROPANOLOL(-)...)
Show SMILES CC(C)NCC(O)COc1cccc2ccccc12
Show InChI InChI=1/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
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n/an/a 1.90E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant human Cytochrome P450 2D6 (CYP2D6) after incubated for 45 minutes


Bioorg Med Chem Lett 15: 3816-20 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.007
BindingDB Entry DOI: 10.7270/Q2WS8SSG
More data for this
Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1C


(Cavia porcellus)
BDBM25761
PNG
(Anapriline | Avlocardyl | CHEMBL27 | PROPANOLOL(-)...)
Show SMILES CC(C)NCC(O)COc1cccc2ccccc12
Show InChI InChI=1/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
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n/an/a 1.80E+4n/an/an/an/an/an/a



Jagiellonian University

Curated by ChEMBL


Assay Description
Inhibition of L-type calcium channel measured using whole-cell patch clamp in rat ventricular myocytes


J Appl Toxicol 32: 858-66 (2012)


Article DOI: 10.1002/jat.2784
BindingDB Entry DOI: 10.7270/Q2D79D5C
More data for this
Ligand-Target Pair
Sodium channel protein type 5 subunit alpha


(Homo sapiens (Human))
BDBM25761
PNG
(Anapriline | Avlocardyl | CHEMBL27 | PROPANOLOL(-)...)
Show SMILES CC(C)NCC(O)COc1cccc2ccccc12
Show InChI InChI=1/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
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n/an/a 2.10E+3n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of sodium current measured using whole-cell patch clamp experiments in HEK-293 cells stably transfected with hNaV1.5 cDNA


Cardiovasc Res 91: 53-61 (2011)


Article DOI: 10.1093/cvr/cvr044
BindingDB Entry DOI: 10.7270/Q2NP264F
More data for this
Ligand-Target Pair
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