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Compile Data Set for Download or QSAR

Found 69 hits of kd 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))
BDBM50224482
PNG
(CHEMBL12322)
Show SMILES CC(N)COCC(C)OCC(C)OCC(C)NCC(O)COc1ccccc1CC=C
PDB
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n/an/an/a 1.60n/an/an/an/an/a



TBA

Curated by ChEMBL




J Med Chem 26: 7-11 (1983)


BindingDB Entry DOI: 10.7270/Q20867H8
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus (Rat))
BDBM50224492
PNG
(CHEMBL12068)
Show SMILES COCCc1ccc(OCC(O)CNC(C)COCC(C)OCC(C)OCC(C)N(CC(O)COc2ccc(CCOC)cc2)CC(O)COc2ccc(CCOC)cc2)cc1
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n/an/an/a 3.5n/an/an/an/an/a



TBA

Curated by ChEMBL




J Med Chem 26: 7-11 (1983)


BindingDB Entry DOI: 10.7270/Q20867H8
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus (Rat))
BDBM50224525
PNG
(CHEMBL383864)
Show SMILES COCCc1ccc(OCC(O)CN(CC(O)COc2ccc(CCOC)cc2)C(C)COCC(C)OCC(C)OCC(C)N(CC(O)COc2ccc(CCOC)cc2)CC(O)COc2ccc(CCOC)cc2)cc1
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TBA

Curated by ChEMBL




J Med Chem 26: 7-11 (1983)


BindingDB Entry DOI: 10.7270/Q20867H8
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus (Rat))
BDBM50224482
PNG
(CHEMBL12322)
Show SMILES CC(N)COCC(C)OCC(C)OCC(C)NCC(O)COc1ccccc1CC=C
PDB
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n/an/an/a 8n/an/an/an/an/a



TBA

Curated by ChEMBL




J Med Chem 26: 7-11 (1983)


BindingDB Entry DOI: 10.7270/Q20867H8
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus (Rat))
BDBM50224525
PNG
(CHEMBL383864)
Show SMILES COCCc1ccc(OCC(O)CN(CC(O)COc2ccc(CCOC)cc2)C(C)COCC(C)OCC(C)OCC(C)N(CC(O)COc2ccc(CCOC)cc2)CC(O)COc2ccc(CCOC)cc2)cc1
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n/an/an/a>1n/an/an/an/an/a



TBA

Curated by ChEMBL




J Med Chem 26: 7-11 (1983)


BindingDB Entry DOI: 10.7270/Q20867H8
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus (Rat))
BDBM50224526
PNG
(CHEMBL12007)
Show SMILES COCCc1ccc(OCC(O)CNC(C)COC(C)COC(C)COC(C)COC(C)COC(C)COCC(C)N)cc1
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n/an/an/a 1.70n/an/an/an/an/a



TBA

Curated by ChEMBL




J Med Chem 26: 7-11 (1983)


BindingDB Entry DOI: 10.7270/Q20867H8
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus (Rat))
BDBM50224527
PNG
(CHEMBL12772)
Show SMILES CC(COCC(C)OCC(C)OCC(C)NCC(O)COc1ccccc1CC=C)NCC(O)COc1ccccc1CC=C
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n/an/an/a 1.40n/an/an/an/an/a



TBA

Curated by ChEMBL




J Med Chem 26: 7-11 (1983)


BindingDB Entry DOI: 10.7270/Q20867H8
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus (Rat))
BDBM50224528
PNG
(CHEMBL12379)
Show SMILES COc1ccc(OCC(O)CNC(C)COCC(C)OCC(C)OCC(C)N(CC(O)COc2ccc(OC)cc2)CC(O)COc2ccc(OC)cc2)cc1
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n/an/an/a 2.70n/an/an/an/an/a



TBA

Curated by ChEMBL




J Med Chem 26: 7-11 (1983)


BindingDB Entry DOI: 10.7270/Q20867H8
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus (Rat))
BDBM50224529
PNG
(CHEMBL275500)
Show SMILES CC(COCC(C)N(CC(O)COc1cccc2ccccc12)CC(O)COc1cccc2ccccc12)OCC(C)OCC(C)N(CC(O)COc1cccc2ccccc12)CC(O)COc1cccc2ccccc12
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n/an/an/a 0.103n/an/an/an/an/a



TBA

Curated by ChEMBL




J Med Chem 26: 7-11 (1983)


BindingDB Entry DOI: 10.7270/Q20867H8
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus (Rat))
BDBM50224530
PNG
(CHEMBL12288)
Show SMILES CC(COCC(C)OCC(C)OCC(C)N(CC(O)COc1cccc2ccccc12)CC(O)COc1cccc2ccccc12)NCC(O)COc1cccc2ccccc12
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n/an/an/a 4.80n/an/an/an/an/a



TBA

Curated by ChEMBL




J Med Chem 26: 7-11 (1983)


BindingDB Entry DOI: 10.7270/Q20867H8
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus (Rat))
BDBM50224531
PNG
(CHEMBL12630)
Show SMILES COc1ccc(OCC(O)CN(CC(O)COc2ccc(OC)cc2)C(C)COCC(C)OCC(C)OCC(C)N(CC(O)COc2ccc(OC)cc2)CC(O)COc2ccc(OC)cc2)cc1
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n/an/an/a>1n/an/an/an/an/a



TBA

Curated by ChEMBL




J Med Chem 26: 7-11 (1983)


BindingDB Entry DOI: 10.7270/Q20867H8
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus (Rat))
BDBM25764
PNG
(ALPRENOLOL,(+) | ALPRENOLOL,(-) | Alfeprol | Alphe...)
Show SMILES CC(C)NCC(O)COc1ccccc1CC=C
Show InChI InChI=1S/C15H23NO2/c1-4-7-13-8-5-6-9-15(13)18-11-14(17)10-16-12(2)3/h4-6,8-9,12,14,16-17H,1,7,10-11H2,2-3H3
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n/an/an/a 1.70n/an/an/an/an/a



TBA

Curated by ChEMBL




J Med Chem 26: 7-11 (1983)


BindingDB Entry DOI: 10.7270/Q20867H8
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus (Rat))
BDBM50224482
PNG
(CHEMBL12322)
Show SMILES CC(N)COCC(C)OCC(C)OCC(C)NCC(O)COc1ccccc1CC=C
PDB
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n/an/an/a 6.20n/an/an/an/an/a



TBA

Curated by ChEMBL




J Med Chem 26: 7-11 (1983)


BindingDB Entry DOI: 10.7270/Q20867H8
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus (Rat))
BDBM50224527
PNG
(CHEMBL12772)
Show SMILES CC(COCC(C)OCC(C)OCC(C)NCC(O)COc1ccccc1CC=C)NCC(O)COc1ccccc1CC=C
PDB
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n/an/an/a 1.80n/an/an/an/an/a



TBA

Curated by ChEMBL




J Med Chem 26: 7-11 (1983)


BindingDB Entry DOI: 10.7270/Q20867H8
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus (Rat))
BDBM50224482
PNG
(CHEMBL12322)
Show SMILES CC(N)COCC(C)OCC(C)OCC(C)NCC(O)COc1ccccc1CC=C
PDB
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n/an/an/a 4.60n/an/an/an/an/a



TBA

Curated by ChEMBL




J Med Chem 26: 7-11 (1983)


BindingDB Entry DOI: 10.7270/Q20867H8
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus (Rat))
BDBM50224532
PNG
(CHEMBL12066)
Show SMILES CC(N)COCC(C)OCC(C)OCC(C)OCC(C)OCC(C)OCC(C)NCC(O)COc1cccc2ccccc12
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n/an/an/a 4.30n/an/an/an/an/a



TBA

Curated by ChEMBL




J Med Chem 26: 7-11 (1983)


BindingDB Entry DOI: 10.7270/Q20867H8
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus (Rat))
BDBM50224531
PNG
(CHEMBL12630)
Show SMILES COc1ccc(OCC(O)CN(CC(O)COc2ccc(OC)cc2)C(C)COCC(C)OCC(C)OCC(C)N(CC(O)COc2ccc(OC)cc2)CC(O)COc2ccc(OC)cc2)cc1
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n/an/an/a>1n/an/an/an/an/a



TBA

Curated by ChEMBL




J Med Chem 26: 7-11 (1983)


BindingDB Entry DOI: 10.7270/Q20867H8
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus (Rat))
BDBM50224533
PNG
(CHEMBL12555)
Show SMILES COc1ccc(OCC(O)CNC(C)COC(C)COC(C)COC(C)COC(C)COC(C)COCC(C)N)cc1
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n/an/an/a 4.10n/an/an/an/an/a



TBA

Curated by ChEMBL




J Med Chem 26: 7-11 (1983)


BindingDB Entry DOI: 10.7270/Q20867H8
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus (Rat))
BDBM50224533
PNG
(CHEMBL12555)
Show SMILES COc1ccc(OCC(O)CNC(C)COC(C)COC(C)COC(C)COC(C)COC(C)COCC(C)N)cc1
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n/an/an/a 0.00285n/an/an/an/an/a



TBA

Curated by ChEMBL




J Med Chem 26: 7-11 (1983)


BindingDB Entry DOI: 10.7270/Q20867H8
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus (Rat))
BDBM50224552
PNG
(CHEMBL265726)
Show SMILES CC(COCC(C)N(CC(O)COc1ccccc1CC=C)CC(O)COc1ccccc1CC=C)OCC(C)OCC(C)N(CC(O)COc1ccccc1CC=C)CC(O)COc1ccccc1CC=C
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n/an/an/a>1n/an/an/an/an/a



TBA

Curated by ChEMBL




J Med Chem 26: 7-11 (1983)


BindingDB Entry DOI: 10.7270/Q20867H8
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus (Rat))
BDBM50224492
PNG
(CHEMBL12068)
Show SMILES COCCc1ccc(OCC(O)CNC(C)COCC(C)OCC(C)OCC(C)N(CC(O)COc2ccc(CCOC)cc2)CC(O)COc2ccc(CCOC)cc2)cc1
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n/an/an/a 2.60n/an/an/an/an/a



TBA

Curated by ChEMBL




J Med Chem 26: 7-11 (1983)


BindingDB Entry DOI: 10.7270/Q20867H8
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus (Rat))
BDBM50224553
PNG
(CHEMBL12639)
Show SMILES CC(COCC(C)OCC(C)OCC(C)N(CC(O)COc1ccccc1CC=C)CC(O)COc1ccccc1CC=C)NCC(O)COc1ccccc1CC=C
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n/an/an/a 2.10n/an/an/an/an/a



TBA

Curated by ChEMBL




J Med Chem 26: 7-11 (1983)


BindingDB Entry DOI: 10.7270/Q20867H8
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus (Rat))
BDBM50224529
PNG
(CHEMBL275500)
Show SMILES CC(COCC(C)N(CC(O)COc1cccc2ccccc12)CC(O)COc1cccc2ccccc12)OCC(C)OCC(C)N(CC(O)COc1cccc2ccccc12)CC(O)COc1cccc2ccccc12
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n/an/an/a 3.60n/an/an/an/an/a



TBA

Curated by ChEMBL




J Med Chem 26: 7-11 (1983)


BindingDB Entry DOI: 10.7270/Q20867H8
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus (Rat))
BDBM50224526
PNG
(CHEMBL12007)
Show SMILES COCCc1ccc(OCC(O)CNC(C)COC(C)COC(C)COC(C)COC(C)COC(C)COCC(C)N)cc1
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n/an/an/a 5.30n/an/an/an/an/a



TBA

Curated by ChEMBL




J Med Chem 26: 7-11 (1983)


BindingDB Entry DOI: 10.7270/Q20867H8
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus (Rat))
BDBM50224530
PNG
(CHEMBL12288)
Show SMILES CC(COCC(C)OCC(C)OCC(C)N(CC(O)COc1cccc2ccccc12)CC(O)COc1cccc2ccccc12)NCC(O)COc1cccc2ccccc12
PDB
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n/an/an/a 4.30n/an/an/an/an/a



TBA

Curated by ChEMBL




J Med Chem 26: 7-11 (1983)


BindingDB Entry DOI: 10.7270/Q20867H8
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus (Rat))
BDBM25764
PNG
(ALPRENOLOL,(+) | ALPRENOLOL,(-) | Alfeprol | Alphe...)
Show SMILES CC(C)NCC(O)COc1ccccc1CC=C
Show InChI InChI=1S/C15H23NO2/c1-4-7-13-8-5-6-9-15(13)18-11-14(17)10-16-12(2)3/h4-6,8-9,12,14,16-17H,1,7,10-11H2,2-3H3
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n/an/an/a 1.5n/an/an/an/an/a



TBA

Curated by ChEMBL




J Med Chem 26: 7-11 (1983)


BindingDB Entry DOI: 10.7270/Q20867H8
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus (Rat))
BDBM50224553
PNG
(CHEMBL12639)
Show SMILES CC(COCC(C)OCC(C)OCC(C)N(CC(O)COc1ccccc1CC=C)CC(O)COc1ccccc1CC=C)NCC(O)COc1ccccc1CC=C
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n/an/an/a 6n/an/an/an/an/a



TBA

Curated by ChEMBL




J Med Chem 26: 7-11 (1983)


BindingDB Entry DOI: 10.7270/Q20867H8
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus (Rat))
BDBM50224528
PNG
(CHEMBL12379)
Show SMILES COc1ccc(OCC(O)CNC(C)COCC(C)OCC(C)OCC(C)N(CC(O)COc2ccc(OC)cc2)CC(O)COc2ccc(OC)cc2)cc1
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n/an/an/a 4n/an/an/an/an/a



TBA

Curated by ChEMBL




J Med Chem 26: 7-11 (1983)


BindingDB Entry DOI: 10.7270/Q20867H8
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus (Rat))
BDBM50224552
PNG
(CHEMBL265726)
Show SMILES CC(COCC(C)N(CC(O)COc1ccccc1CC=C)CC(O)COc1ccccc1CC=C)OCC(C)OCC(C)N(CC(O)COc1ccccc1CC=C)CC(O)COc1ccccc1CC=C
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n/an/an/a>1n/an/an/an/an/a



TBA

Curated by ChEMBL




J Med Chem 26: 7-11 (1983)


BindingDB Entry DOI: 10.7270/Q20867H8
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus (Rat))
BDBM50224532
PNG
(CHEMBL12066)
Show SMILES CC(N)COCC(C)OCC(C)OCC(C)OCC(C)OCC(C)OCC(C)NCC(O)COc1cccc2ccccc12
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n/an/an/a 2.60n/an/an/an/an/a



TBA

Curated by ChEMBL




J Med Chem 26: 7-11 (1983)


BindingDB Entry DOI: 10.7270/Q20867H8
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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TBA

Curated by ChEMBL


Assay Description
In vitro binding to human erythrocyte carbonic anhydrase was determined by fluorescence competition assay employing the fluorescent CA inhibitor dans...


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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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))
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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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))
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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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))
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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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))
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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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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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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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))
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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TBA

Curated by ChEMBL




J Med Chem 28: 1699-703 (1985)


BindingDB Entry DOI: 10.7270/Q2V98B87
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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TBA

Curated by ChEMBL




J Med Chem 28: 1699-703 (1985)


BindingDB Entry DOI: 10.7270/Q2V98B87
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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TBA

Curated by ChEMBL




J Med Chem 28: 1699-703 (1985)


BindingDB Entry DOI: 10.7270/Q2V98B87
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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TBA

Curated by ChEMBL




J Med Chem 28: 1699-703 (1985)


BindingDB Entry DOI: 10.7270/Q2V98B87
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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TBA

Curated by ChEMBL




J Med Chem 28: 1699-703 (1985)


BindingDB Entry DOI: 10.7270/Q2V98B87
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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TBA

Curated by ChEMBL




J Med Chem 28: 1699-703 (1985)


BindingDB Entry DOI: 10.7270/Q2V98B87
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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TBA

Curated by ChEMBL




J Med Chem 28: 1699-703 (1985)


BindingDB Entry DOI: 10.7270/Q2V98B87
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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n/an/an/a 1.5n/an/an/an/an/a



TBA

Curated by ChEMBL




J Med Chem 28: 1699-703 (1985)


BindingDB Entry DOI: 10.7270/Q2V98B87
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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n/an/an/a 3.20n/an/an/an/an/a



TBA

Curated by ChEMBL




J Med Chem 28: 1699-703 (1985)


BindingDB Entry DOI: 10.7270/Q2V98B87
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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n/an/an/a 3n/an/an/an/an/a



TBA

Curated by ChEMBL




J Med Chem 28: 1699-703 (1985)


BindingDB Entry DOI: 10.7270/Q2V98B87
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,)|
PDB
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UniChem
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n/an/an/a 20n/an/an/an/an/a



TBA

Curated by ChEMBL




J Med Chem 28: 1699-703 (1985)


BindingDB Entry DOI: 10.7270/Q2V98B87
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,)|
PDB
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n/an/an/a 1.30n/an/an/an/an/a



TBA

Curated by ChEMBL




J Med Chem 28: 1699-703 (1985)


BindingDB Entry DOI: 10.7270/Q2V98B87
More data for this
Ligand-Target Pair
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