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Compile Data Set for Download or QSAR

Found 165 hits of ki for UniProtKB: P10608   
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
ADRB2


(Rattus norvegicus)
BDBM50019443
PNG
(1-(1H-Indol-4-yloxy)-3-isopropylamino-propan-2-ol ...)
Show SMILES CC(C)NCC(O)COc1cccc2[nH]ccc12
Show InChI InChI=1S/C14H20N2O2/c1-10(2)16-8-11(17)9-18-14-5-3-4-13-12(14)6-7-15-13/h3-7,10-11,15-17H,8-9H2,1-2H3
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0.320n/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
ADRB2


(Rattus norvegicus)
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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0.460n/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))
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
ADRB2


(Rattus norvegicus)
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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0.5n/an/an/an/an/an/an/an/a



Boehringer Ingelheim Italia

Curated by PDSP Ki Database




Naunyn Schmiedebergs Arch Pharmacol 352: 276-82 (1995)


Article DOI: 10.1007/bf00168557
BindingDB Entry DOI: 10.7270/Q2Q52N48
More data for this
Ligand-Target Pair
ADRB2


(Rattus norvegicus)
BDBM81885
PNG
(2-(3-tert-Butylamino-2-hydroxypropylthio)-4-(5-car...)
Show SMILES CC(C)(C)NCC(O)CSc1nc(cs1)-c1ccc(s1)C(N)=O
Show InChI InChI=1S/C15H21N3O2S3/c1-15(2,3)17-6-9(19)7-21-14-18-10(8-22-14)11-4-5-12(23-11)13(16)20/h4-5,8-9,17,19H,6-7H2,1-3H3,(H2,16,20)
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0.550n/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
ADRB2


(Rattus norvegicus)
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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0.580n/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))
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
ADRB2


(Rattus norvegicus)
BDBM25768
PNG
(1-[(7-methyl-2,3-dihydro-1H-inden-4-yl)oxy]-3-(pro...)
Show SMILES CC(C)NC(C)C(O)COc1ccc(C)c2CCCc12
Show InChI InChI=1S/C17H27NO2/c1-11(2)18-13(4)16(19)10-20-17-9-8-12(3)14-6-5-7-15(14)17/h8-9,11,13,16,18-19H,5-7,10H2,1-4H3
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1.78n/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))
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
ADRB2


(Rattus norvegicus)
BDBM81886
PNG
(CAS_3506-09-0 | CHEMBL287651 | PROPRANOLOL, dl)
Show SMILES CC(C)CNCC(O)COc1cccc2ccccc12
Show InChI InChI=1S/C17H23NO2/c1-13(2)10-18-11-15(19)12-20-17-9-5-7-14-6-3-4-8-16(14)17/h3-9,13,15,18-19H,10-12H2,1-2H3
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2.45n/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))
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
ADRB2


(Rattus norvegicus)
BDBM50240370
PNG
(1-(2-(allyloxy)phenoxy)-3-(isopropylamino)propan-2...)
Show SMILES CC(C)NCC(O)COc1ccccc1OCC=C
Show InChI InChI=1S/C15H23NO3/c1-4-9-18-14-7-5-6-8-15(14)19-11-13(17)10-16-12(2)3/h4-8,12-13,16-17H,1,9-11H2,2-3H3
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9.77n/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
ADRB2


(Rattus norvegicus)
BDBM81882
PNG
(CAS_93633-92-2 | YM-09538)
Show SMILES COc1ccccc1OCCNCC(O)c1ccc(C)c(c1)S(N)(=O)=O
Show InChI InChI=1S/C18H24N2O5S/c1-13-7-8-14(11-18(13)26(19,22)23)15(21)12-20-9-10-25-17-6-4-3-5-16(17)24-2/h3-8,11,15,20-21H,9-10,12H2,1-2H3,(H2,19,22,23)
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13.2n/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))
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
ADRB2


(Rattus norvegicus)
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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43.6n/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
ADRB2


(Rattus norvegicus)
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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67.6n/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))
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))
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))
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
ADRB2


(Rattus norvegicus)
BDBM25762
PNG
(CHEMBL471 | N-{4-[1-hydroxy-2-(propan-2-ylamino)et...)
Show SMILES CC(C)NCC(O)c1ccc(NS(C)(=O)=O)cc1
Show InChI InChI=1S/C12H20N2O3S/c1-9(2)13-8-12(15)10-4-6-11(7-5-10)14-18(3,16)17/h4-7,9,12-15H,8H2,1-3H3
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339n/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
ADRB2


(Rattus norvegicus)
BDBM85190
PNG
(CAS_3055171 | NAD-299 | NSC_3055171)
Show SMILES NC(=O)c1ccc(F)c2OCC(Cc12)N(C1CCC1)C1CCC1
Show InChI InChI=1S/C18H23FN2O2/c19-16-8-7-14(18(20)22)15-9-13(10-23-17(15)16)21(11-3-1-4-11)12-5-2-6-12/h7-8,11-13H,1-6,9-10H2,(H2,20,22)
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340n/an/an/an/an/an/an/an/a



Preclinical R & D, Astra Arcus AB

Curated by PDSP Ki Database




J Pharmacol Exp Ther 283: 216-25 (1997)


BindingDB Entry DOI: 10.7270/Q22Z142T
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
ADRB2


(Rattus norvegicus)
BDBM81887
PNG
(Butoxamine | CAS_1937-89-9)
Show SMILES COc1ccc(OC)c(c1)[C@@H](O)[C@H](C)NC(C)(C)C |r|
Show InChI InChI=1S/C15H25NO3/c1-10(16-15(2,3)4)14(17)12-9-11(18-5)7-8-13(12)19-6/h7-10,14,16-17H,1-6H3/t10-,14-/m0/s1
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468n/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))
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)
BDBM50042999
PNG
(3,6-Difluoro-4-(1-hydroxy-2-methylamino-ethyl)-ben...)
Show SMILES CNCC(O)c1cc(F)c(O)c(O)c1F
Show InChI InChI=1S/C9H11F2NO3/c1-12-3-6(13)4-2-5(10)8(14)9(15)7(4)11/h2,6,12-15H,3H2,1H3
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710n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Binding affinity against adrenergic beta 2 receptor versus 1 nM [3H]dihydroalprenolol in rat cerebral cerebellar membranes


J Med Chem 36: 3947-55 (1994)


BindingDB Entry DOI: 10.7270/Q2QC044C
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus)
BDBM50029050
PNG
((-)-(R)-epinephrine | (-)-3,4-dihydroxy-alpha-((me...)
Show SMILES CNC[C@H](O)c1ccc(O)c(O)c1 |r|
Show InChI InChI=1S/C9H13NO3/c1-10-5-9(13)6-2-3-7(11)8(12)4-6/h2-4,9-13H,5H2,1H3/t9-/m0/s1
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720n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Binding affinity against adrenergic beta 2 receptor versus 1 nM [3H]dihydroalprenolol in rat cerebral cerebellar membranes


J Med Chem 36: 3947-55 (1994)


BindingDB Entry DOI: 10.7270/Q2QC044C
More data for this
Ligand-Target Pair
ADRB2


(Rattus norvegicus)
BDBM50022784
PNG
((R)-N-methyl-3-phenyl-3-(o-tolyloxy)propan-1-amine...)
Show SMILES CNCCC(Oc1ccccc1C)c1ccccc1
Show InChI InChI=1S/C17H21NO/c1-14-8-6-7-11-16(14)19-17(12-13-18-2)15-9-4-3-5-10-15/h3-11,17-18H,12-13H2,1-2H3
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1.00E+3n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by PDSP Ki Database




Neuropsychopharmacology 27: 699-711 (2002)


Article DOI: 10.1016/S0893-133X(02)00346-9
BindingDB Entry DOI: 10.7270/Q2GQ6W98
More data for this
Ligand-Target Pair
ADRB2


(Rattus norvegicus)
BDBM84745
PNG
(CAS_136434-34-9 | DULOXETINE | LY-248686 | LY24868...)
Show SMILES CNCC[C@H](Oc1cccc2ccccc12)c1cccs1 |r|
Show InChI InChI=1S/C18H19NOS/c1-19-12-11-17(18-10-5-13-21-18)20-16-9-4-7-14-6-2-3-8-15(14)16/h2-10,13,17,19H,11-12H2,1H3/t17-/m0/s1
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1.00E+3n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by PDSP Ki Database




Neuropsychopharmacology 25: 871-80 (2001)


Article DOI: 10.1016/S0893-133X(01)00298-6
BindingDB Entry DOI: 10.7270/Q25M648W
More data for this
Ligand-Target Pair
ADRB2


(Rattus norvegicus)
BDBM82071
PNG
(CAS_93413-69-5 | CAS_99300-78-4 | NSC_62923 | VENL...)
Show SMILES COc1ccc(cc1)C(CN(C)C)C1(O)CCCCC1
Show InChI InChI=1S/C17H27NO2/c1-18(2)13-16(17(19)11-5-4-6-12-17)14-7-9-15(20-3)10-8-14/h7-10,16,19H,4-6,11-13H2,1-3H3
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1.00E+3n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by PDSP Ki Database




Neuropsychopharmacology 25: 871-80 (2001)


Article DOI: 10.1016/S0893-133X(01)00298-6
BindingDB Entry DOI: 10.7270/Q25M648W
More data for this
Ligand-Target Pair
ADRB2


(Rattus norvegicus)
BDBM50094670
PNG
(1-(4-Dipropylamino-1,3,4,5-tetrahydro-benzo[cd]ind...)
Show SMILES CCCN(CCC)C1Cc2c[nH]c3ccc(C(C)=O)c(C1)c23
Show InChI InChI=1S/C19H26N2O/c1-4-8-21(9-5-2)15-10-14-12-20-18-7-6-16(13(3)22)17(11-15)19(14)18/h6-7,12,15,20H,4-5,8-11H2,1-3H3
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1.00E+3n/an/an/an/an/an/an/an/a



Eli Lilly and Company

Curated by PDSP Ki Database




J Pharmacol Exp Ther 270: 1270-81 (1994)


BindingDB Entry DOI: 10.7270/Q2805146
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
ADRB2


(Rattus norvegicus)
BDBM86708
PNG
(CAS_146714-97-8 | CHEMBL31354 | CHEMBL514874 | CHE...)
Show SMILES COc1ccccc1N1CCN(CCN(C(=O)C2CCCCC2)c2ccccn2)CC1
Show InChI InChI=1S/C25H34N4O2/c1-31-23-12-6-5-11-22(23)28-18-15-27(16-19-28)17-20-29(24-13-7-8-14-26-24)25(30)21-9-3-2-4-10-21/h5-8,11-14,21H,2-4,9-10,15-20H2,1H3
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1.00E+3n/an/an/an/an/an/an/an/a



Preclinical R & D, Astra Arcus AB

Curated by PDSP Ki Database




J Pharmacol Exp Ther 283: 216-25 (1997)


BindingDB Entry DOI: 10.7270/Q22Z142T
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)
BDBM50019060
PNG
((+/-)4-(2-Amino-1-hydroxy-ethyl)-3-fluoro-benzene-...)
Show SMILES NCC(O)c1ccc(O)c(O)c1F
Show InChI InChI=1S/C8H10FNO3/c9-7-4(6(12)3-10)1-2-5(11)8(7)13/h1-2,6,11-13H,3,10H2
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1.50E+3n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Binding affinity against adrenergic beta 2 receptor versus 1 nM [3H]dihydroalprenolol in rat cerebral cerebellar membranes


J Med Chem 36: 3947-55 (1994)


BindingDB Entry DOI: 10.7270/Q2QC044C
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
ADRB2


(Rattus norvegicus)
BDBM25756
PNG
((2R,3R)-2,3-dihydroxysuccinic acid;1-(isopropylami...)
Show SMILES COCCc1ccc(OCC(O)CNC(C)C)cc1
Show InChI InChI=1S/C15H25NO3/c1-12(2)16-10-14(17)11-19-15-6-4-13(5-7-15)8-9-18-3/h4-7,12,14,16-17H,8-11H2,1-3H3
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1.70E+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
ADRB2


(Rattus norvegicus)
BDBM25752
PNG
(Betaxolol | Levobetaxolol | [(2S)-3-{4-[2-(cyclopr...)
Show SMILES CC(C)NC[C@H](O)COc1ccc(CCOCC2CC2)cc1
Show InChI InChI=1S/C18H29NO3/c1-14(2)19-11-17(20)13-22-18-7-5-15(6-8-18)9-10-21-12-16-3-4-16/h5-8,14,16-17,19-20H,3-4,9-13H2,1-2H3/t17-/m0/s1
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2.04E+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))
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
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