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Compile Data Set for Download or QSAR

Found 60 hits of ki for UniProtKB: P26255   
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
Adrenergic receptor beta


(Rattus norvegicus (Rat))
BDBM50226717
PNG
((+/-)-Pindobind | CHEMBL157881)
Show SMILES CC(C)(NC(=O)CBr)C1CCC(C)(CC1)NCC(O)COc1cccc2[nH]ccc12 |(2.66,-6.58,;2.67,-5.04,;2.66,-3.5,;4.21,-5.04,;4.98,-6.36,;4.21,-7.7,;6.52,-6.36,;7.29,-7.7,;1.13,-5.04,;-.1,-4.28,;-2.18,-4.57,;-2.72,-2.89,;-4.26,-2.89,;-1.4,-3.66,;.59,-3.34,;-2.72,-1.35,;-4.06,-.56,;-5.39,-1.36,;-6.73,-.59,;-5.38,-2.9,;-6.73,-3.67,;-6.71,-5.21,;-8.04,-5.98,;-8.04,-7.52,;-6.71,-8.29,;-5.38,-7.52,;-4.03,-8.29,;-2.68,-7.51,;-2.68,-5.95,;-5.38,-5.98,)|
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0.460n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition against purified human erythrocyte carbonic anhydrase II was determined (acetozolamide used as control.)


J Med Chem 30: 612-5 (1987)


BindingDB Entry DOI: 10.7270/Q2ZS2ZRF
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus (Rat))
BDBM50226716
PNG
(CHEMBL348176)
Show SMILES CC(C)(NC(=O)CBr)C1CCC(C)(CC1)NCC(O)COc1cccc2[nH]c(cc12)C#N |(2.48,-10.11,;2.5,-8.58,;2.48,-7.04,;4.04,-8.58,;4.82,-9.89,;4.04,-11.23,;6.35,-9.89,;7.12,-11.23,;.97,-8.58,;-.26,-7.82,;-2.36,-8.12,;-2.89,-6.42,;-4.43,-6.42,;-1.56,-7.19,;.41,-6.89,;-2.89,-4.88,;-4.23,-4.12,;-5.56,-4.91,;-6.9,-4.14,;-5.54,-6.44,;-6.88,-7.21,;-6.86,-8.76,;-8.2,-9.52,;-8.2,-11.06,;-6.86,-11.83,;-5.53,-11.06,;-4.19,-11.83,;-2.84,-11.03,;-2.86,-9.49,;-5.53,-9.52,;-1.46,-11.85,;-.07,-12.65,)|
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0.610n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL




J Med Chem 30: 612-5 (1987)


BindingDB Entry DOI: 10.7270/Q2ZS2ZRF
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus (Rat))
BDBM50226717
PNG
((+/-)-Pindobind | CHEMBL157881)
Show SMILES CC(C)(NC(=O)CBr)C1CCC(C)(CC1)NCC(O)COc1cccc2[nH]ccc12 |(2.66,-6.58,;2.67,-5.04,;2.66,-3.5,;4.21,-5.04,;4.98,-6.36,;4.21,-7.7,;6.52,-6.36,;7.29,-7.7,;1.13,-5.04,;-.1,-4.28,;-2.18,-4.57,;-2.72,-2.89,;-4.26,-2.89,;-1.4,-3.66,;.59,-3.34,;-2.72,-1.35,;-4.06,-.56,;-5.39,-1.36,;-6.73,-.59,;-5.38,-2.9,;-6.73,-3.67,;-6.71,-5.21,;-8.04,-5.98,;-8.04,-7.52,;-6.71,-8.29,;-5.38,-7.52,;-4.03,-8.29,;-2.68,-7.51,;-2.68,-5.95,;-5.38,-5.98,)|
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1.30n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL




J Med Chem 30: 612-5 (1987)


BindingDB Entry DOI: 10.7270/Q2ZS2ZRF
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus (Rat))
BDBM50226716
PNG
(CHEMBL348176)
Show SMILES CC(C)(NC(=O)CBr)C1CCC(C)(CC1)NCC(O)COc1cccc2[nH]c(cc12)C#N |(2.48,-10.11,;2.5,-8.58,;2.48,-7.04,;4.04,-8.58,;4.82,-9.89,;4.04,-11.23,;6.35,-9.89,;7.12,-11.23,;.97,-8.58,;-.26,-7.82,;-2.36,-8.12,;-2.89,-6.42,;-4.43,-6.42,;-1.56,-7.19,;.41,-6.89,;-2.89,-4.88,;-4.23,-4.12,;-5.56,-4.91,;-6.9,-4.14,;-5.54,-6.44,;-6.88,-7.21,;-6.86,-8.76,;-8.2,-9.52,;-8.2,-11.06,;-6.86,-11.83,;-5.53,-11.06,;-4.19,-11.83,;-2.84,-11.03,;-2.86,-9.49,;-5.53,-9.52,;-1.46,-11.85,;-.07,-12.65,)|
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1.5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL




J Med Chem 30: 612-5 (1987)


BindingDB Entry DOI: 10.7270/Q2ZS2ZRF
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus (Rat))
BDBM50226719
PNG
(CHEMBL156754)
Show SMILES CC(C)(NCC(O)COc1cccc2[nH]c(cc12)C#N)C1CCC(C)(CC1)NC(=O)CBr |(-2.34,-8.06,;-2.31,-6.5,;-1.55,-5.13,;-3.88,-6.5,;-5.18,-5.75,;-6.49,-6.5,;-7.79,-5.75,;-6.48,-8,;-7.78,-8.75,;-7.78,-10.27,;-9.06,-11.02,;-9.06,-12.53,;-7.78,-13.28,;-6.48,-12.53,;-5.15,-13.27,;-3.84,-12.5,;-3.85,-11,;-6.48,-11.02,;-2.48,-13.28,;-1.13,-14.06,;-.75,-6.5,;.43,-6.07,;2.16,-6.69,;2.95,-5.35,;4.51,-5.35,;1.66,-5.77,;.01,-5.13,;3.36,-3.83,;4.87,-3.43,;5.97,-4.54,;5.28,-1.93,;6.79,-1.53,)|
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1.80n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL




J Med Chem 30: 612-5 (1987)


BindingDB Entry DOI: 10.7270/Q2ZS2ZRF
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=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
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2.40n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL




J Med Chem 32: 859-63 (1989)


BindingDB Entry DOI: 10.7270/Q2571CMK
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus (Rat))
BDBM50226719
PNG
(CHEMBL156754)
Show SMILES CC(C)(NCC(O)COc1cccc2[nH]c(cc12)C#N)C1CCC(C)(CC1)NC(=O)CBr |(-2.34,-8.06,;-2.31,-6.5,;-1.55,-5.13,;-3.88,-6.5,;-5.18,-5.75,;-6.49,-6.5,;-7.79,-5.75,;-6.48,-8,;-7.78,-8.75,;-7.78,-10.27,;-9.06,-11.02,;-9.06,-12.53,;-7.78,-13.28,;-6.48,-12.53,;-5.15,-13.27,;-3.84,-12.5,;-3.85,-11,;-6.48,-11.02,;-2.48,-13.28,;-1.13,-14.06,;-.75,-6.5,;.43,-6.07,;2.16,-6.69,;2.95,-5.35,;4.51,-5.35,;1.66,-5.77,;.01,-5.13,;3.36,-3.83,;4.87,-3.43,;5.97,-4.54,;5.28,-1.93,;6.79,-1.53,)|
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2.80n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL




J Med Chem 30: 612-5 (1987)


BindingDB Entry DOI: 10.7270/Q2ZS2ZRF
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus (Rat))
BDBM50227815
PNG
(FLAVODILOL | Flavodilol)
Show SMILES CCCNCC(O)COc1ccc2c(c1)oc(cc2=O)-c1ccccc1
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4n/an/an/an/an/an/an/an/a



Pennwalt Corporation

Curated by ChEMBL




J Med Chem 32: 183-92 (1989)


BindingDB Entry DOI: 10.7270/Q2474D33
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus (Rat))
BDBM50226718
PNG
(CHEMBL156628)
Show SMILES CC(C)(NCC(O)COc1cccc2[nH]ccc12)C1CCC(C)(CC1)NC(=O)CBr |(-2.37,-8.18,;-2.35,-6.59,;-1.58,-5.2,;-3.94,-6.59,;-5.26,-5.83,;-6.58,-6.59,;-7.91,-5.83,;-6.57,-8.12,;-7.9,-8.88,;-7.9,-10.42,;-9.2,-11.18,;-9.2,-12.71,;-7.9,-13.47,;-6.57,-12.71,;-5.23,-13.46,;-3.89,-12.68,;-3.9,-11.16,;-6.57,-11.18,;-.76,-6.59,;.44,-6.16,;2.19,-6.79,;2.99,-5.43,;4.58,-5.43,;1.69,-5.86,;.01,-5.2,;3.41,-3.88,;4.94,-3.48,;6.05,-4.61,;5.36,-1.96,;6.89,-1.55,)|
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4.5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition against purified human erythrocyte carbonic anhydrase II was determined (acetozolamide used as control.)


J Med Chem 30: 612-5 (1987)


BindingDB Entry DOI: 10.7270/Q2ZS2ZRF
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=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
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6.5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL




J Med Chem 30: 788-92 (1987)


BindingDB Entry DOI: 10.7270/Q2FT8P8T
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus (Rat))
BDBM50225368
PNG
(CHEMBL47370)
Show SMILES CC(C)(NCC(O)COc1ccccc1CC=C)C1CCC(C)(CC1)NC(=O)CBr |(7.44,-1.49,;8.18,-2.83,;9.25,-3.91,;7.38,-4.15,;5.84,-4.12,;5.1,-2.77,;5.56,-1.2,;3.56,-2.73,;2.76,-4.04,;1.22,-4.01,;.42,-5.34,;-1.12,-5.3,;-1.86,-3.95,;-1.05,-2.63,;.48,-2.66,;1.28,-1.35,;.55,,;-.99,.03,;8.76,-1.38,;9.72,-2.87,;11.65,-2.03,;13.03,-2.45,;14.37,-1.67,;12.07,-.94,;10.24,-1.77,;14.12,-3.53,;15.54,-2.64,;15.46,-1.2,;16.74,-3.35,;17.94,-2.64,)|
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20n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL




J Med Chem 30: 612-5 (1987)


BindingDB Entry DOI: 10.7270/Q2ZS2ZRF
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus (Rat))
BDBM50226718
PNG
(CHEMBL156628)
Show SMILES CC(C)(NCC(O)COc1cccc2[nH]ccc12)C1CCC(C)(CC1)NC(=O)CBr |(-2.37,-8.18,;-2.35,-6.59,;-1.58,-5.2,;-3.94,-6.59,;-5.26,-5.83,;-6.58,-6.59,;-7.91,-5.83,;-6.57,-8.12,;-7.9,-8.88,;-7.9,-10.42,;-9.2,-11.18,;-9.2,-12.71,;-7.9,-13.47,;-6.57,-12.71,;-5.23,-13.46,;-3.89,-12.68,;-3.9,-11.16,;-6.57,-11.18,;-.76,-6.59,;.44,-6.16,;2.19,-6.79,;2.99,-5.43,;4.58,-5.43,;1.69,-5.86,;.01,-5.2,;3.41,-3.88,;4.94,-3.48,;6.05,-4.61,;5.36,-1.96,;6.89,-1.55,)|
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23n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition against purified human erythrocyte carbonic anhydrase II was determined (acetozolamide used as control.)


J Med Chem 30: 612-5 (1987)


BindingDB Entry DOI: 10.7270/Q2ZS2ZRF
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus (Rat))
BDBM50225368
PNG
(CHEMBL47370)
Show SMILES CC(C)(NCC(O)COc1ccccc1CC=C)C1CCC(C)(CC1)NC(=O)CBr |(7.44,-1.49,;8.18,-2.83,;9.25,-3.91,;7.38,-4.15,;5.84,-4.12,;5.1,-2.77,;5.56,-1.2,;3.56,-2.73,;2.76,-4.04,;1.22,-4.01,;.42,-5.34,;-1.12,-5.3,;-1.86,-3.95,;-1.05,-2.63,;.48,-2.66,;1.28,-1.35,;.55,,;-.99,.03,;8.76,-1.38,;9.72,-2.87,;11.65,-2.03,;13.03,-2.45,;14.37,-1.67,;12.07,-.94,;10.24,-1.77,;14.12,-3.53,;15.54,-2.64,;15.46,-1.2,;16.74,-3.35,;17.94,-2.64,)|
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31n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition against purified human erythrocyte carbonic anhydrase II was determined (acetozolamide used as control.)


J Med Chem 30: 612-5 (1987)


BindingDB Entry DOI: 10.7270/Q2ZS2ZRF
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus (Rat))
BDBM50019355
PNG
(1-(3,4,5-Trimethoxy-benzyl)-1,2,3,4-tetrahydro-iso...)
Show SMILES COc1cc(CC2NCCc3cc(O)c(O)cc23)cc(OC)c1OC
Show InChI InChI=1S/C19H23NO5/c1-23-17-7-11(8-18(24-2)19(17)25-3)6-14-13-10-16(22)15(21)9-12(13)4-5-20-14/h7-10,14,20-22H,4-6H2,1-3H3
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100n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL




J Med Chem 23: 648-52 (1980)


BindingDB Entry DOI: 10.7270/Q2P2719M
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus (Rat))
BDBM50225367
PNG
(BROMOACETYL ALPRENOLOL MENTHANE | Bromoacetyl Alpr...)
Show SMILES CC(C)(NC(=O)CBr)C1CCC(C)(CC1)NCC(O)COc1ccccc1CC=C |(13.93,-2.74,;12.84,-3.85,;13.26,-5.32,;14.34,-4.24,;15.41,-3.15,;15.02,-1.65,;16.9,-3.54,;17.3,-5.04,;11.37,-3.44,;10.1,-3.86,;8.48,-3.25,;7.73,-4.59,;7.12,-5.53,;8.9,-4.17,;10.6,-4.79,;7.32,-2.45,;5.78,-2.42,;5.05,-1.07,;5.52,.48,;3.51,-1.04,;2.71,-2.35,;1.17,-2.32,;.36,-3.66,;-1.18,-3.6,;-1.91,-2.26,;-1.09,-.94,;.43,-.97,;1.23,.34,;.49,1.69,;-1.05,1.72,)|
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126n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL




J Med Chem 30: 612-5 (1987)


BindingDB Entry DOI: 10.7270/Q2ZS2ZRF
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus (Rat))
BDBM50222197
PNG
(CHEBI:15944 | CHEMBL155870)
Show SMILES COc1cc2CCNC(Cc3ccc(O)c(O)c3)c2cc1O
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200n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL




J Med Chem 23: 648-52 (1980)


BindingDB Entry DOI: 10.7270/Q2P2719M
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus (Rat))
BDBM50027331
PNG
(1-(3,4-dihydroxybenzyl)-1,2,3,4-tetrahydroisoquino...)
Show SMILES Oc1ccc(CC2NCCc3cc(O)c(O)cc23)cc1O
Show InChI InChI=1S/C16H17NO4/c18-13-2-1-9(6-14(13)19)5-12-11-8-16(21)15(20)7-10(11)3-4-17-12/h1-2,6-8,12,17-21H,3-5H2
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300n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL




J Med Chem 23: 648-52 (1980)


BindingDB Entry DOI: 10.7270/Q2P2719M
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus (Rat))
BDBM50222194
PNG
(CHEBI:28651 | CHEMBL348881)
Show SMILES [H][C@@]1(Cc2ccc(O)c(O)c2)NCCc2cc(O)c(O)cc12
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300n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL




J Med Chem 23: 648-52 (1980)


BindingDB Entry DOI: 10.7270/Q2P2719M
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus (Rat))
BDBM50225367
PNG
(BROMOACETYL ALPRENOLOL MENTHANE | Bromoacetyl Alpr...)
Show SMILES CC(C)(NC(=O)CBr)C1CCC(C)(CC1)NCC(O)COc1ccccc1CC=C |(13.93,-2.74,;12.84,-3.85,;13.26,-5.32,;14.34,-4.24,;15.41,-3.15,;15.02,-1.65,;16.9,-3.54,;17.3,-5.04,;11.37,-3.44,;10.1,-3.86,;8.48,-3.25,;7.73,-4.59,;7.12,-5.53,;8.9,-4.17,;10.6,-4.79,;7.32,-2.45,;5.78,-2.42,;5.05,-1.07,;5.52,.48,;3.51,-1.04,;2.71,-2.35,;1.17,-2.32,;.36,-3.66,;-1.18,-3.6,;-1.91,-2.26,;-1.09,-.94,;.43,-.97,;1.23,.34,;.49,1.69,;-1.05,1.72,)|
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391n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL




J Med Chem 30: 612-5 (1987)


BindingDB Entry DOI: 10.7270/Q2ZS2ZRF
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus (Rat))
BDBM50222135
PNG
(CHEMBL347351)
Show SMILES COc1cc(CC2NCCc3cc(O)c(O)cc23)ccc1O
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500n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL




J Med Chem 23: 648-52 (1980)


BindingDB Entry DOI: 10.7270/Q2P2719M
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus (Rat))
BDBM50222195
PNG
(TETRAHYDROPAPAVERINE | Tetrahydropapaverine)
Show SMILES COc1ccc(CC2NCCc3cc(OC)c(OC)cc23)cc1OC
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1.00E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL




J Med Chem 23: 648-52 (1980)


BindingDB Entry DOI: 10.7270/Q2P2719M
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus (Rat))
BDBM50007170
PNG
(Adamantane-1-carboxylic acid {4-[4-(2-methoxy-phen...)
Show SMILES COc1ccccc1N1CCN(CCCCNC(=O)C23C[C@H]4C[C@H](C[C@H](C4)C2)C3)CC1 |TLB:26:25:28:20.21.22,26:21:28:27.25.24|
Show InChI InChI=1S/C26H39N3O2/c1-31-24-7-3-2-6-23(24)29-12-10-28(11-13-29)9-5-4-8-27-25(30)26-17-20-14-21(18-26)16-22(15-20)19-26/h2-3,6-7,20-22H,4-5,8-19H2,1H3,(H,27,30)/t20-,21+,22-,26?
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1.02E+3n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL




J Med Chem 34: 2633-8 (1991)


BindingDB Entry DOI: 10.7270/Q2833R0C
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus (Rat))
BDBM50222193
PNG
(CHEBI:28611 | CHEMBL349584)
Show SMILES [H][C@@]1(Cc2ccc(OC)c(O)c2)NCCc2cc(OC)c(O)cc12
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1.30E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL




J Med Chem 23: 648-52 (1980)


BindingDB Entry DOI: 10.7270/Q2P2719M
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus (Rat))
BDBM50227820
PNG
(CHEMBL57544)
Show SMILES OC(CNC1CC1)COc1ccc2c(c1)oc(cc2=O)-c1ccccc1
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1.50E+3n/an/an/an/an/an/an/an/a



Pennwalt Corporation

Curated by ChEMBL




J Med Chem 32: 183-92 (1989)


BindingDB Entry DOI: 10.7270/Q2474D33
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=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
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1.60E+3n/an/an/an/an/an/an/an/a



Pennwalt Corporation

Curated by ChEMBL




J Med Chem 32: 183-92 (1989)


BindingDB Entry DOI: 10.7270/Q2474D33
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus (Rat))
BDBM50227814
PNG
(CHEMBL291999)
Show SMILES CC(C)NCC(O)COc1ccc2oc(cc(=O)c2c1)-c1ccccc1
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2.20E+3n/an/an/an/an/an/an/an/a



Pennwalt Corporation

Curated by ChEMBL




J Med Chem 32: 183-92 (1989)


BindingDB Entry DOI: 10.7270/Q2474D33
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus (Rat))
BDBM50016912
PNG
(CHEMBL138136 | Dimethyl-[3-(naphthalen-1-yloxy)-pr...)
Show SMILES CN(C)CCCOc1cccc2ccccc12
Show InChI InChI=1S/C15H19NO/c1-16(2)11-6-12-17-15-10-5-8-13-7-3-4-9-14(13)15/h3-5,7-10H,6,11-12H2,1-2H3
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2.40E+3n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL




J Med Chem 32: 859-63 (1989)


BindingDB Entry DOI: 10.7270/Q2571CMK
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus (Rat))
BDBM50222196
PNG
(CHEBI:46816 | CHEMBL155707)
Show SMILES COc1ccc(CC2NCCc3cc(OC)c(O)cc23)cc1O
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4.00E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL




J Med Chem 23: 648-52 (1980)


BindingDB Entry DOI: 10.7270/Q2P2719M
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus (Rat))
BDBM50016918
PNG
(CHEMBL139103 | Dimethyl-[2-(naphthalen-1-yloxy)-et...)
Show SMILES CN(C)CCOc1cccc2ccccc12
Show InChI InChI=1S/C14H17NO/c1-15(2)10-11-16-14-9-5-7-12-6-3-4-8-13(12)14/h3-9H,10-11H2,1-2H3
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4.50E+3n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL




J Med Chem 32: 859-63 (1989)


BindingDB Entry DOI: 10.7270/Q2571CMK
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus (Rat))
BDBM50016913
PNG
(Butyl-ethyl-[2-(naphthalen-1-yloxy)-ethyl]-amine |...)
Show SMILES CCCCN(CC)CCOc1cccc2ccccc12
Show InChI InChI=1S/C18H25NO/c1-3-5-13-19(4-2)14-15-20-18-12-8-10-16-9-6-7-11-17(16)18/h6-12H,3-5,13-15H2,1-2H3
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5.00E+3n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL




J Med Chem 32: 859-63 (1989)


BindingDB Entry DOI: 10.7270/Q2571CMK
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus (Rat))
BDBM50016909
PNG
(CHEMBL140417 | Methyl-[2-(naphthalen-1-yloxy)-ethy...)
Show SMILES CCCN(C)CCOc1cccc2ccccc12
Show InChI InChI=1S/C16H21NO/c1-3-11-17(2)12-13-18-16-10-6-8-14-7-4-5-9-15(14)16/h4-10H,3,11-13H2,1-2H3
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5.30E+3n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL




J Med Chem 32: 859-63 (1989)


BindingDB Entry DOI: 10.7270/Q2571CMK
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus (Rat))
BDBM50227817
PNG
(CHEMBL57611)
Show SMILES OC(CNC1CCCCC1)COc1ccc2c(c1)oc(cc2=O)-c1ccccc1
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5.50E+3n/an/an/an/an/an/an/an/a



Pennwalt Corporation

Curated by ChEMBL




J Med Chem 32: 183-92 (1989)


BindingDB Entry DOI: 10.7270/Q2474D33
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus (Rat))
BDBM50227816
PNG
(CHEMBL57659)
Show SMILES CCNCC(O)COc1ccc2c(c1)oc(cc2=O)-c1ccccc1
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7.50E+3n/an/an/an/an/an/an/an/a



Pennwalt Corporation

Curated by ChEMBL




J Med Chem 32: 183-92 (1989)


BindingDB Entry DOI: 10.7270/Q2474D33
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus (Rat))
BDBM50227819
PNG
(CHEMBL273690)
Show SMILES CC(C)NCC(O)COc1cccc2c1oc(cc2=O)-c1ccccc1
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7.50E+3n/an/an/an/an/an/an/an/a



Pennwalt Corporation

Curated by ChEMBL




J Med Chem 32: 183-92 (1989)


BindingDB Entry DOI: 10.7270/Q2474D33
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus (Rat))
BDBM50016917
PNG
(CHEMBL169956 | Dibutyl-[3-(naphthalen-1-yloxy)-pro...)
Show SMILES CCCCN(CCCC)CCCOc1cccc2ccccc12
Show InChI InChI=1S/C21H31NO/c1-3-5-15-22(16-6-4-2)17-10-18-23-21-14-9-12-19-11-7-8-13-20(19)21/h7-9,11-14H,3-6,10,15-18H2,1-2H3
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8.30E+3n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL




J Med Chem 32: 859-63 (1989)


BindingDB Entry DOI: 10.7270/Q2571CMK
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus (Rat))
BDBM50016915
PNG
(CHEMBL334465 | Dibutyl-[2-(naphthalen-1-yloxy)-eth...)
Show SMILES CCCCN(CCCC)CCOc1cccc2ccccc12
Show InChI InChI=1S/C20H29NO/c1-3-5-14-21(15-6-4-2)16-17-22-20-13-9-11-18-10-7-8-12-19(18)20/h7-13H,3-6,14-17H2,1-2H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL




J Med Chem 32: 859-63 (1989)


BindingDB Entry DOI: 10.7270/Q2571CMK
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus)
BDBM50327863
PNG
((1-Butylpiperidin-4-yl)methyl 8-Amino-7-fluoro-2,3...)
Show SMILES CCCCN1CCC(COC(=O)c2cc(F)c(N)c3OCCOc23)CC1
Show InChI InChI=1S/C19H27FN2O4/c1-2-3-6-22-7-4-13(5-8-22)12-26-19(23)14-11-15(20)16(21)18-17(14)24-9-10-25-18/h11,13H,2-10,12,21H2,1H3
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>1.00E+4n/an/an/an/an/an/an/an/a



National Institute of Mental Health

Curated by ChEMBL


Assay Description
Binding affinity to rat adrenergic beta3 receptor


J Med Chem 53: 7035-47 (2010)


Article DOI: 10.1021/jm100668r
BindingDB Entry DOI: 10.7270/Q2BR8SD7
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus)
BDBM50327861
PNG
((1-Butylpiperidin-4-yl)methyl 4-Amino-3-methoxyben...)
Show SMILES CCCCN1CCC(COC(=O)c2ccc(N)c(OC)c2)CC1
Show InChI InChI=1S/C18H28N2O3/c1-3-4-9-20-10-7-14(8-11-20)13-23-18(21)15-5-6-16(19)17(12-15)22-2/h5-6,12,14H,3-4,7-11,13,19H2,1-2H3
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National Institute of Mental Health

Curated by ChEMBL


Assay Description
Binding affinity to rat adrenergic beta3 receptor


J Med Chem 53: 7035-47 (2010)


Article DOI: 10.1021/jm100668r
BindingDB Entry DOI: 10.7270/Q2BR8SD7
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus)
BDBM50327860
PNG
((1-Butylpiperidin-4-yl)methyl 7-chloro-8-(methylam...)
Show SMILES CCCCN1CCC(COC(=O)c2cc(Cl)c(NC)c3OCCOc23)CC1
Show InChI InChI=1S/C20H29ClN2O4/c1-3-4-7-23-8-5-14(6-9-23)13-27-20(24)15-12-16(21)17(22-2)19-18(15)25-10-11-26-19/h12,14,22H,3-11,13H2,1-2H3
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National Institute of Mental Health

Curated by ChEMBL


Assay Description
Binding affinity to rat adrenergic beta3 receptor


J Med Chem 53: 7035-47 (2010)


Article DOI: 10.1021/jm100668r
BindingDB Entry DOI: 10.7270/Q2BR8SD7
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus (Rat))
BDBM50005834
PNG
(1-Isopropyl-3-[2-(8-methyl-8-aza-bicyclo[3.2.1]oct...)
Show SMILES CC(C)n1c2ccccc2n(C(=O)CC2CC3CCC(C2)N3C)c1=O |TLB:13:14:21:17.18,THB:22:21:14.20.15:17.18|
Show InChI InChI=1S/C20H27N3O2/c1-13(2)22-17-6-4-5-7-18(17)23(20(22)25)19(24)12-14-10-15-8-9-16(11-14)21(15)3/h4-7,13-16H,8-12H2,1-3H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Searle Research and Development

Curated by ChEMBL




J Med Chem 35: 1486-9 (1992)


BindingDB Entry DOI: 10.7270/Q2CC11B3
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus (Rat))
BDBM50212465
PNG
(RENZAPRIDE | Renzapride)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)NC1CCN2CCC1C2 |TLB:12:13:20:18.17|
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>1.00E+4n/an/an/an/an/an/an/an/a



Searle Research and Development

Curated by ChEMBL




J Med Chem 35: 1486-9 (1992)


BindingDB Entry DOI: 10.7270/Q2CC11B3
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus (Rat))
BDBM50368604
PNG
(CHEMBL1907770)
Show SMILES [H]C12CN3C[C@]1(NC(=O)c1cc(Cl)c(N)cc1OC)C2CC3 |r|
Show InChI InChI=1S/C15H18ClN3O2/c1-21-13-5-12(17)11(16)4-8(13)14(20)18-15-7-19-3-2-9(15)10(15)6-19/h4-5,9-10H,2-3,6-7,17H2,1H3,(H,18,20)/t9?,10?,15-/m1/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Searle Research and Development

Curated by ChEMBL




J Med Chem 35: 1486-9 (1992)


BindingDB Entry DOI: 10.7270/Q2CC11B3
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus (Rat))
BDBM85330
PNG
(CAS_68647 | NSC_68647 | ONDANSETRON | Ondansetron ...)
Show SMILES Cc1nccn1CC1CCc2c(C1=O)c1ccccc1n2C
Show InChI InChI=1S/C18H19N3O/c1-12-19-9-10-21(12)11-13-7-8-16-17(18(13)22)14-5-3-4-6-15(14)20(16)2/h3-6,9-10,13H,7-8,11H2,1-2H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Solvay Duphar B.V.

Curated by ChEMBL


Assay Description
Displacement of [3H]- GR-65,630 binding to 5-hydroxytryptamine 3 receptor in rat brain cortical membranes


J Med Chem 36: 3693-9 (1994)


BindingDB Entry DOI: 10.7270/Q2NS0SZH
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus (Rat))
BDBM50005833
PNG
((exo)4-Amino-5-chloro-N-(hexahydro-pyrrolizin-1-yl...)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)NC[C@@H]1CCN2CCC[C@@H]12
Show InChI InChI=1S/C16H22ClN3O2/c1-22-15-8-13(18)12(17)7-11(15)16(21)19-9-10-4-6-20-5-2-3-14(10)20/h7-8,10,14H,2-6,9,18H2,1H3,(H,19,21)/t10-,14-/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Searle Research and Development

Curated by ChEMBL




J Med Chem 35: 1486-9 (1992)


BindingDB Entry DOI: 10.7270/Q2CC11B3
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus (Rat))
BDBM50031475
PNG
(4-Amino-N-(1-aza-bicyclo[2.2.2]oct-3-yl)-5-chloro-...)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)N[C@H]1CN2CCC1CC2 |wU:13.13,TLB:12:13:17.16:19.20,(11.11,-14.18,;11.11,-12.63,;9.77,-11.88,;8.43,-12.66,;7.09,-11.89,;5.75,-12.66,;7.09,-10.33,;5.76,-9.57,;8.43,-9.56,;9.75,-10.36,;11.09,-9.59,;11.11,-8.04,;12.44,-10.36,;13.77,-9.59,;14.8,-8.58,;16.63,-8.19,;17.94,-9.45,;16.9,-10.39,;15.57,-9.1,;15.88,-7.77,;16.88,-7.14,)|
Show InChI InChI=1S/C15H20ClN3O2/c1-21-14-7-12(17)11(16)6-10(14)15(20)18-13-8-19-4-2-9(13)3-5-19/h6-7,9,13H,2-5,8,17H2,1H3,(H,18,20)/t13-/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Searle Research and Development

Curated by ChEMBL




J Med Chem 35: 1486-9 (1992)


BindingDB Entry DOI: 10.7270/Q2CC11B3
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus (Rat))
BDBM50231569
PNG
(CILANSETRON | Cilansetron | KC-9946)
Show SMILES Cc1nccn1C[C@H]1CCc2c(C1=O)c1cccc3CCCn2c13
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>1.00E+4n/an/an/an/an/an/an/an/a



Solvay Duphar B.V.

Curated by ChEMBL


Assay Description
Displacement of [3H]- GR-65,630 binding to 5-hydroxytryptamine 3 receptor in rat brain cortical membranes


J Med Chem 36: 3693-9 (1994)


BindingDB Entry DOI: 10.7270/Q2NS0SZH
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus (Rat))
BDBM50005836
PNG
(4-Amino-5-chloro-N-{1-[3-(4-fluoro-phenoxy)-propyl...)
Show SMILES COC1CN(CCCOc2ccc(F)cc2)CCC1NC(=O)c1cc(Cl)c(N)cc1OC
Show InChI InChI=1S/C23H29ClFN3O4/c1-30-21-13-19(26)18(24)12-17(21)23(29)27-20-8-10-28(14-22(20)31-2)9-3-11-32-16-6-4-15(25)5-7-16/h4-7,12-13,20,22H,3,8-11,14,26H2,1-2H3,(H,27,29)
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>1.00E+4n/an/an/an/an/an/an/an/a



Searle Research and Development

Curated by ChEMBL




J Med Chem 35: 1486-9 (1992)


BindingDB Entry DOI: 10.7270/Q2CC11B3
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus (Rat))
BDBM50227818
PNG
(CHEMBL56023)
Show SMILES CC(C)NCC(O)COc1ccc2c(c1)oc(cc2=O)-c1ccccc1
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1.20E+4n/an/an/an/an/an/an/an/a



Pennwalt Corporation

Curated by ChEMBL




J Med Chem 32: 183-92 (1989)


BindingDB Entry DOI: 10.7270/Q2474D33
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus (Rat))
BDBM50227813
PNG
(CHEMBL293974)
Show SMILES CC(C)(C)NCC(O)COc1ccc2c(c1)oc(cc2=O)-c1ccccc1
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1.80E+4n/an/an/an/an/an/an/an/a



Pennwalt Corporation

Curated by ChEMBL




J Med Chem 32: 183-92 (1989)


BindingDB Entry DOI: 10.7270/Q2474D33
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus (Rat))
BDBM50227821
PNG
(CHEMBL56492)
Show SMILES CC(C)NCC(O)COc1ccc2c(c1)oc(C)cc2=O
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2.30E+4n/an/an/an/an/an/an/an/a



Pennwalt Corporation

Curated by ChEMBL




J Med Chem 32: 183-92 (1989)


BindingDB Entry DOI: 10.7270/Q2474D33
More data for this
Ligand-Target Pair
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