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Compile Data Set for Download or QSAR

Found 17829 hits Enz. Inhib. hit(s) with Target = 'Adrenergic receptor'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Adrenergic receptor alpha


(Rattus norvegicus (rat)-Rattus norvegicus (Rat)-RA...)
BDBM50029050
PNG
((-)-(R)-epinephrine | (-)-3,4-dihydroxy-alpha-((me...)
Show SMILES CNC[C@H](O)c1ccc(O)c(O)c1
Show InChI InChI=1/C9H13NO3/c1-10-5-9(13)6-2-3-7(11)8(12)4-6/h2-4,9-13H,5H2,1H3/t9-/s2
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n/an/a 0n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against Alpha adrenergic receptor using [3H]dihydroergocryptine radioligand in rat brain homogenate


J Med Chem 24: 1258-60 (1981)


Article DOI: 10.1021/jm00142a026
BindingDB Entry DOI: 10.7270/Q27W6FDS
More data for this
Ligand-Target Pair
Adrenergic receptor alpha


(Rattus norvegicus (rat)-Rattus norvegicus (Rat)-RA...)
BDBM50029051
PNG
((-)-arterenol | (-)-noradrenaline | (-)-norepineph...)
Show SMILES NC[C@H](O)c1ccc(O)c(O)c1
Show InChI InChI=1/C8H11NO3/c9-4-8(12)5-1-2-6(10)7(11)3-5/h1-3,8,10-12H,4,9H2/t8-/s2
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n/an/a 0n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against Alpha adrenergic receptor using [3H]dihydroergocryptine radioligand in rat brain homogenate


J Med Chem 24: 1258-60 (1981)


Article DOI: 10.1021/jm00142a026
BindingDB Entry DOI: 10.7270/Q27W6FDS
More data for this
Ligand-Target Pair
Adrenergic receptor alpha


(Rattus norvegicus (rat)-Rattus norvegicus (Rat)-RA...)
BDBM50223423
PNG
(CHEMBL22352)
Show SMILES NCC(c1ccc(O)c(O)c1)S(O)(=O)=O
Show InChI InChI=1/C8H11NO5S/c9-4-8(15(12,13)14)5-1-2-6(10)7(11)3-5/h1-3,8,10-11H,4,9H2,(H,12,13,14)
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n/an/a 0.00000400n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against Alpha adrenergic receptor using [3H]dihydroergocryptine radioligand in rat brain homogenate


J Med Chem 24: 1258-60 (1981)


Article DOI: 10.1021/jm00142a026
BindingDB Entry DOI: 10.7270/Q27W6FDS
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus (Rat))
BDBM50223424
PNG
(CHEMBL280151)
Show SMILES CC(C)NCC(c1ccc(O)c(O)c1)S(O)(=O)=O
Show InChI InChI=1/C11H17NO5S/c1-7(2)12-6-11(18(15,16)17)8-3-4-9(13)10(14)5-8/h3-5,7,11-14H,6H2,1-2H3,(H,15,16,17)
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n/an/a 0.00000900n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against Beta adrenergic receptor using [3H]dihydroalprenolol radioligand in rat brain homogenate


J Med Chem 24: 1258-60 (1981)


Article DOI: 10.1021/jm00142a026
BindingDB Entry DOI: 10.7270/Q27W6FDS
More data for this
Ligand-Target Pair
Adrenergic receptor alpha


(Rattus norvegicus (rat)-Rattus norvegicus (Rat)-RA...)
BDBM50223422
PNG
(CHEMBL22195)
Show SMILES CNCC(c1ccc(O)c(O)c1)S(O)(=O)=O
Show InChI InChI=1/C9H13NO5S/c1-10-5-9(16(13,14)15)6-2-3-7(11)8(12)4-6/h2-4,9-12H,5H2,1H3,(H,13,14,15)
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n/an/a 0.0000100n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against Alpha adrenergic receptor using [3H]dihydroergocryptine radioligand in rat brain homogenate


J Med Chem 24: 1258-60 (1981)


Article DOI: 10.1021/jm00142a026
BindingDB Entry DOI: 10.7270/Q27W6FDS
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus (Rat))
BDBM50029050
PNG
((-)-(R)-epinephrine | (-)-3,4-dihydroxy-alpha-((me...)
Show SMILES CNC[C@H](O)c1ccc(O)c(O)c1
Show InChI InChI=1/C9H13NO3/c1-10-5-9(13)6-2-3-7(11)8(12)4-6/h2-4,9-13H,5H2,1H3/t9-/s2
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n/an/a 0.0000290n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against Beta adrenergic receptor using [3H]dihydroalprenolol radioligand in rat brain homogenate


J Med Chem 24: 1258-60 (1981)


Article DOI: 10.1021/jm00142a026
BindingDB Entry DOI: 10.7270/Q27W6FDS
More data for this
Ligand-Target Pair
Adrenergic receptor alpha


(Rattus norvegicus (rat)-Rattus norvegicus (Rat)-RA...)
BDBM50223424
PNG
(CHEMBL280151)
Show SMILES CC(C)NCC(c1ccc(O)c(O)c1)S(O)(=O)=O
Show InChI InChI=1/C11H17NO5S/c1-7(2)12-6-11(18(15,16)17)8-3-4-9(13)10(14)5-8/h3-5,7,11-14H,6H2,1-2H3,(H,15,16,17)
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n/an/a 0.0000330n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against Alpha adrenergic receptor using [3H]dihydroergocryptine radioligand in rat brain homogenate


J Med Chem 24: 1258-60 (1981)


Article DOI: 10.1021/jm00142a026
BindingDB Entry DOI: 10.7270/Q27W6FDS
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus (Rat))
BDBM50223422
PNG
(CHEMBL22195)
Show SMILES CNCC(c1ccc(O)c(O)c1)S(O)(=O)=O
Show InChI InChI=1/C9H13NO5S/c1-10-5-9(16(13,14)15)6-2-3-7(11)8(12)4-6/h2-4,9-12H,5H2,1H3,(H,13,14,15)
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n/an/a 0.000110n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against Beta adrenergic receptor using [3H]dihydroalprenolol radioligand in rat brain homogenate


J Med Chem 24: 1258-60 (1981)


Article DOI: 10.1021/jm00142a026
BindingDB Entry DOI: 10.7270/Q27W6FDS
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus (Rat))
BDBM50223423
PNG
(CHEMBL22352)
Show SMILES NCC(c1ccc(O)c(O)c1)S(O)(=O)=O
Show InChI InChI=1/C8H11NO5S/c9-4-8(15(12,13)14)5-1-2-6(10)7(11)3-5/h1-3,8,10-11H,4,9H2,(H,12,13,14)
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n/an/a 0.000130n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against Beta adrenergic receptor using [3H]dihydroalprenolol radioligand in rat brain homogenate


J Med Chem 24: 1258-60 (1981)


Article DOI: 10.1021/jm00142a026
BindingDB Entry DOI: 10.7270/Q27W6FDS
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(Homo sapiens (Human))
BDBM50001922
PNG
(2-Naphthalen-1-ylmethyl-4,5-dihydro-1H-imidazole; ...)
Show SMILES C(C1=NCCN1)c1cccc2ccccc12
Show InChI InChI=1S/C14H14N2/c1-2-7-13-11(4-1)5-3-6-12(13)10-14-15-8-9-16-14/h1-7H,8-10H2,(H,15,16)
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n/an/a 0.00110n/an/an/an/an/an/a



Ohio State University

Curated by ChEMBL


Assay Description
Compound was evaluated for Adrenergic activity against Alpha-2 adrenergic receptor in human platelets


J Med Chem 35: 750-5 (1992)


Article DOI: 10.1021/jm00082a017
BindingDB Entry DOI: 10.7270/Q27H1MTJ
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus (Rat))
BDBM50497048
PNG
(CHEMBL3246767)
Show SMILES CC(C)(C)NCC(O)COc1cccc2CC=CCc12
Show InChI InChI=1S/C17H25NO2/c1-17(2,3)18-11-14(19)12-20-16-10-6-8-13-7-4-5-9-15(13)16/h4-6,8,10,14,18-19H,7,9,11-12H2,1-3H3
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n/an/a 0.00130n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of beta-adrenergic receptor in rat portal vein


J Med Chem 21: 913-22 (1978)

More data for this
Ligand-Target Pair
Adrenergic receptor


(Homo sapiens (Human))
BDBM50268077
PNG
((S)-4-(2-hydroxy-3-(1-(4-methoxyphenyl)-2-methylpr...)
Show SMILES COc1ccc(CC(C)(C)NC[C@H](O)COc2cccc3[nH]c(=O)[nH]c23)cc1
Show InChI InChI=1/C21H27N3O4/c1-21(2,11-14-7-9-16(27-3)10-8-14)22-12-15(25)13-28-18-6-4-5-17-19(18)24-20(26)23-17/h4-10,15,22,25H,11-13H2,1-3H3,(H2,23,24,26)/t15-/s2
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n/an/a 0.00130n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of beta2 adrenergic receptor


J Med Chem 52: 6599-605 (2009)


Article DOI: 10.1021/jm900563e
BindingDB Entry DOI: 10.7270/Q2WM1FB4
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(Homo sapiens (Human))
BDBM50230389
PNG
(CHEMBL541105)
Show SMILES Cl.CC(c1c[nH]cn1)c1cccc2ccccc12
Show InChI InChI=1/C15H14N2.ClH/c1-11(15-9-16-10-17-15)13-8-4-6-12-5-2-3-7-14(12)13;/h2-11H,1H3,(H,16,17);1H
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n/an/a 0.00340n/an/an/an/an/an/a



Ohio State University

Curated by ChEMBL


Assay Description
Compound was tested for Adrenergic activity against Alpha-2 adrenergic receptor from rat aorta


J Med Chem 35: 750-5 (1992)


Article DOI: 10.1021/jm00082a017
BindingDB Entry DOI: 10.7270/Q27H1MTJ
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(Homo sapiens (Human))
BDBM50230393
PNG
(CHEMBL553231)
Show SMILES Cl.CC(C1=NCCN1)c1cccc2ccccc12
Show InChI InChI=1/C15H16N2.ClH/c1-11(15-16-9-10-17-15)13-8-4-6-12-5-2-3-7-14(12)13;/h2-8,11H,9-10H2,1H3,(H,16,17);1H
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n/an/a 0.0140n/an/an/an/an/an/a



Ohio State University

Curated by ChEMBL


Assay Description
Compound was evaluated for Adrenergic activity against Alpha-2 adrenergic receptor in human platelets


J Med Chem 35: 750-5 (1992)


Article DOI: 10.1021/jm00082a017
BindingDB Entry DOI: 10.7270/Q27H1MTJ
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(Homo sapiens (Human))
BDBM50230395
PNG
(CHEMBL557985)
Show SMILES Cl.CC(C1=NCCN1)c1ccc2ccccc2c1
Show InChI InChI=1/C15H16N2.ClH/c1-11(15-16-8-9-17-15)13-7-6-12-4-2-3-5-14(12)10-13;/h2-7,10-11H,8-9H2,1H3,(H,16,17);1H
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n/an/a 0.0160n/an/an/an/an/an/a



Ohio State University

Curated by ChEMBL


Assay Description
Compound was evaluated for Adrenergic activity against Alpha-2 adrenergic receptor in human platelets


J Med Chem 35: 750-5 (1992)


Article DOI: 10.1021/jm00082a017
BindingDB Entry DOI: 10.7270/Q27H1MTJ
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(Homo sapiens (Human))
BDBM50230388
PNG
(CHEMBL537830)
Show SMILES Cl.C(c1ncc[nH]1)c1cccc2ccccc12
Show InChI InChI=1S/C14H12N2.ClH/c1-2-7-13-11(4-1)5-3-6-12(13)10-14-15-8-9-16-14;/h1-9H,10H2,(H,15,16);1H
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n/an/a 0.0340n/an/an/an/an/an/a



Ohio State University

Curated by ChEMBL


Assay Description
Compound was evaluated for Adrenergic activity against Alpha-2 adrenergic receptor in human platelets


J Med Chem 35: 750-5 (1992)


Article DOI: 10.1021/jm00082a017
BindingDB Entry DOI: 10.7270/Q27H1MTJ
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))
BDBM50378919
PNG
(CHEMBL2011218)
Show SMILES O[C@@H](CNCCNC(=O)Nc1cccc(OCCF)c1)COc1ccccc1C#N
Show InChI InChI=1/C21H25FN4O4/c22-8-11-29-19-6-3-5-17(12-19)26-21(28)25-10-9-24-14-18(27)15-30-20-7-2-1-4-16(20)13-23/h1-7,12,18,24,27H,8-11,14-15H2,(H2,25,26,28)/t18-/s2
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n/an/a 0.0400n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H](-)-CGP-12177 from adrenergic beta1 receptor by cell based assay


ACS Med Chem Lett 2: 650-655 (2011)


Article DOI: 10.1021/ml1002458
BindingDB Entry DOI: 10.7270/Q25H7H8S
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus (Rat))
BDBM50497052
PNG
(CHEMBL3246792)
Show SMILES CC(C)(Cc1ccccc1)NCC(O)COc1cccc2C[C@@H](O)[C@@H](O)Cc12
Show InChI InChI=1S/C23H31NO4/c1-23(2,13-16-7-4-3-5-8-16)24-14-18(25)15-28-22-10-6-9-17-11-20(26)21(27)12-19(17)22/h3-10,18,20-21,24-27H,11-15H2,1-2H3/t18?,20-,21+/m1/s1
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n/an/a 0.0450n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of beta-adrenergic receptor in rat portal vein


J Med Chem 21: 913-22 (1978)

More data for this
Ligand-Target Pair
Adrenergic receptor


(Homo sapiens (Human))
BDBM50407517
PNG
((-)ISOPROTERENOL | CHEMBL1160723 | US9492405, 27)
Show SMILES CC(C)NC[C@H](O)c1ccc(O)c(O)c1
Show InChI InChI=1S/C11H17NO3/c1-7(2)12-6-11(15)8-3-4-9(13)10(14)5-8/h3-5,7,11-15H,6H2,1-2H3/t11-/m0/s1
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n/an/a 0.0500n/an/an/an/an/a37



The United States of America, as represented by the Secretary, Department of Health and Human Services

US Patent


Assay Description
To measure beta2-AR mediated inhibition of mitogenesis, HEK-beta2-AR, 1321N1 or U87MG cells were seeded in a 96-well plate at approximately 5,000 c...


US Patent US9492405 (2016)


BindingDB Entry DOI: 10.7270/Q2CJ8CBM
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))
BDBM50378927
PNG
(CHEMBL2011226)
Show SMILES O[C@@H](CNCCNC(=O)Nc1ccc(I)nc1)COc1ccccc1C#N
Show InChI InChI=1/C18H20IN5O3/c19-17-6-5-14(10-23-17)24-18(26)22-8-7-21-11-15(25)12-27-16-4-2-1-3-13(16)9-20/h1-6,10,15,21,25H,7-8,11-12H2,(H2,22,24,26)/t15-/s2
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TBA

Curated by ChEMBL


Assay Description
Displacement of [3H](-)-CGP-12177 from adrenergic beta1 receptor by cell based assay


ACS Med Chem Lett 2: 650-655 (2011)


Article DOI: 10.1021/ml1002458
BindingDB Entry DOI: 10.7270/Q25H7H8S
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))
BDBM50378913
PNG
(CHEMBL2011227)
Show SMILES O[C@@H](CNCCNC(=O)Nc1ccc(Br)nc1)COc1ccccc1C#N
Show InChI InChI=1/C18H20BrN5O3/c19-17-6-5-14(10-23-17)24-18(26)22-8-7-21-11-15(25)12-27-16-4-2-1-3-13(16)9-20/h1-6,10,15,21,25H,7-8,11-12H2,(H2,22,24,26)/t15-/s2
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TBA

Curated by ChEMBL


Assay Description
Displacement of [3H](-)-CGP-12177 from adrenergic beta1 receptor by cell based assay


ACS Med Chem Lett 2: 650-655 (2011)


Article DOI: 10.1021/ml1002458
BindingDB Entry DOI: 10.7270/Q25H7H8S
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus (Rat))
BDBM50497050
PNG
(CHEMBL3244454)
Show SMILES Cl.CO[C@H]1Cc2cccc(OCC(O)CNC(C)(C)C)c2C[C@H]1OC
Show InChI InChI=1S/C19H31NO4.ClH/c1-19(2,3)20-11-14(21)12-24-16-8-6-7-13-9-17(22-4)18(23-5)10-15(13)16;/h6-8,14,17-18,20-21H,9-12H2,1-5H3;1H/t14?,17-,18+;/m0./s1
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n/an/a 0.0510n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of beta-adrenergic receptor in rat portal vein


J Med Chem 21: 913-22 (1978)

More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))
BDBM50378917
PNG
(CHEMBL2011216)
Show SMILES O[C@@H](CNCCNC(=O)Nc1ccc(OCCF)cc1)COc1ccccc1C#N
Show InChI InChI=1/C21H25FN4O4/c22-9-12-29-19-7-5-17(6-8-19)26-21(28)25-11-10-24-14-18(27)15-30-20-4-2-1-3-16(20)13-23/h1-8,18,24,27H,9-12,14-15H2,(H2,25,26,28)/t18-/s2
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TBA

Curated by ChEMBL


Assay Description
Displacement of [3H](-)-CGP-12177 from adrenergic beta1 receptor by cell based assay


ACS Med Chem Lett 2: 650-655 (2011)


Article DOI: 10.1021/ml1002458
BindingDB Entry DOI: 10.7270/Q25H7H8S
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))
BDBM50378925
PNG
(CHEMBL2011224)
Show SMILES O[C@@H](CNCCNC(=O)Nc1ccc(OCCF)nc1)COc1ccccc1C#N
Show InChI InChI=1/C20H24FN5O4/c21-7-10-29-19-6-5-16(12-25-19)26-20(28)24-9-8-23-13-17(27)14-30-18-4-2-1-3-15(18)11-22/h1-6,12,17,23,27H,7-10,13-14H2,(H2,24,26,28)/t17-/s2
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n/an/a 0.100n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H](-)-CGP-12177 from adrenergic beta1 receptor by cell based assay


ACS Med Chem Lett 2: 650-655 (2011)


Article DOI: 10.1021/ml1002458
BindingDB Entry DOI: 10.7270/Q25H7H8S
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))
BDBM50378916
PNG
(CHEMBL2011215)
Show SMILES O[C@@H](CNCCNC(=O)Nc1ccc(F)cc1)COc1ccccc1C#N
Show InChI InChI=1/C19H21FN4O3/c20-15-5-7-16(8-6-15)24-19(26)23-10-9-22-12-17(25)13-27-18-4-2-1-3-14(18)11-21/h1-8,17,22,25H,9-10,12-13H2,(H2,23,24,26)/t17-/s2
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n/an/a 0.100n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H](-)-CGP-12177 from adrenergic beta1 receptor by cell based assay


ACS Med Chem Lett 2: 650-655 (2011)


Article DOI: 10.1021/ml1002458
BindingDB Entry DOI: 10.7270/Q25H7H8S
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Homo sapiens (Human))
BDBM50173109
PNG
(CHEMBL3809093)
Show SMILES CC(Cc1cc(C(N)=O)c2n(CCCO)ccc2c1)NCCOc1ccccc1OCc1ccccc1
Show InChI InChI=1/C30H35N3O4/c1-22(18-24-19-25-12-15-33(14-7-16-34)29(25)26(20-24)30(31)35)32-13-17-36-27-10-5-6-11-28(27)37-21-23-8-3-2-4-9-23/h2-6,8-12,15,19-20,22,32,34H,7,13-14,16-18,21H2,1H3,(H2,31,35)
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n/an/a 0.100n/an/an/an/an/an/a



Chengdu University

Curated by ChEMBL


Assay Description
Antagonist activity at alpha-1D adrenergic receptor (unknown origin) transfected in HEK293 cells assessed as reduction in agonist-induced calcium mob...


J Med Chem 59: 3826-39 (2016)


Article DOI: 10.1021/acs.jmedchem.5b02023
BindingDB Entry DOI: 10.7270/Q22N5461
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus)
BDBM25392
PNG
(4-[1-hydroxy-2-(isopropylamino)ethyl]pyrocatechol;...)
Show SMILES CC(C)NCC(O)c1ccc(O)c(O)c1
Show InChI InChI=1/C11H17NO3/c1-7(2)12-6-11(15)8-3-4-9(13)10(14)5-8/h3-5,7,11-15H,6H2,1-2H3
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n/an/a 0.100n/an/an/an/an/an/a



Kissei Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Inhibition of spontaneous contractions in isolated rat uterus


J Med Chem 46: 105-12 (2002)


Article DOI: 10.1021/jm020177z
BindingDB Entry DOI: 10.7270/Q2BP03J1
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))
BDBM50378914
PNG
(CHEMBL2011213)
Show SMILES COc1ccc(NC(=O)NCCNC[C@H](O)COc2ccccc2C#N)cc1
Show InChI InChI=1/C20H24N4O4/c1-27-18-8-6-16(7-9-18)24-20(26)23-11-10-22-13-17(25)14-28-19-5-3-2-4-15(19)12-21/h2-9,17,22,25H,10-11,13-14H2,1H3,(H2,23,24,26)/t17-/s2
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n/an/a 0.110n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H](-)-CGP-12177 from adrenergic beta1 receptor by cell based assay


ACS Med Chem Lett 2: 650-655 (2011)


Article DOI: 10.1021/ml1002458
BindingDB Entry DOI: 10.7270/Q25H7H8S
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(Homo sapiens (Human))
BDBM50230394
PNG
(CHEMBL538801)
Show SMILES Cl.CC(c1c[nH]cn1)c1ccc2ccccc2c1
Show InChI InChI=1/C15H14N2.ClH/c1-11(15-9-16-10-17-15)13-7-6-12-4-2-3-5-14(12)8-13;/h2-11H,1H3,(H,16,17);1H
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n/an/a 0.120n/an/an/an/an/an/a



Ohio State University

Curated by ChEMBL


Assay Description
Compound was evaluated for Adrenergic activity against Alpha-2 adrenergic receptor in human platelets


J Med Chem 35: 750-5 (1992)


Article DOI: 10.1021/jm00082a017
BindingDB Entry DOI: 10.7270/Q27H1MTJ
More data for this
Ligand-Target Pair
Adrenergic receptor


(Homo sapiens (Human))
BDBM50213098
PNG
((R,R)-(-)-fenoterol | CHEMBL388570 | US9492405, (R...)
Show SMILES C[C@H](Cc1ccc(O)cc1)NC[C@H](O)c1cc(O)cc(O)c1
Show InChI InChI=1S/C17H21NO4/c1-11(6-12-2-4-14(19)5-3-12)18-10-17(22)13-7-15(20)9-16(21)8-13/h2-5,7-9,11,17-22H,6,10H2,1H3/t11-,17+/m1/s1
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n/an/a 0.140n/an/an/an/an/a37



The United States of America, as represented by the Secretary, Department of Health and Human Services

US Patent


Assay Description
To measure beta2-AR mediated inhibition of mitogenesis, HEK-beta2-AR, 1321N1 or U87MG cells were seeded in a 96-well plate at approximately 5,000 c...


US Patent US9492405 (2016)


BindingDB Entry DOI: 10.7270/Q2CJ8CBM
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))
BDBM50378935
PNG
(CHEMBL2011235)
Show SMILES O[C@@H](CNCCNC(=O)Cc1ccc(F)cc1)COc1ccccc1C#N
Show InChI InChI=1/C20H22FN3O3/c21-17-7-5-15(6-8-17)11-20(26)24-10-9-23-13-18(25)14-27-19-4-2-1-3-16(19)12-22/h1-8,18,23,25H,9-11,13-14H2,(H,24,26)/t18-/s2
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n/an/a 0.140n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H](-)-CGP-12177 from adrenergic beta1 receptor by cell based assay


ACS Med Chem Lett 2: 650-655 (2011)


Article DOI: 10.1021/ml1002458
BindingDB Entry DOI: 10.7270/Q25H7H8S
More data for this
Ligand-Target Pair
Adrenergic receptor


(Homo sapiens (Human))
BDBM50213099
PNG
((R,R)-(-)-1-p-methoxyphenyl-2-(beta-3',5'-dihydrox...)
Show SMILES COc1ccc(C[C@@H](C)NC[C@H](O)c2cc(O)cc(O)c2)cc1
Show InChI InChI=1S/C18H23NO4/c1-12(7-13-3-5-17(23-2)6-4-13)19-11-18(22)14-8-15(20)10-16(21)9-14/h3-6,8-10,12,18-22H,7,11H2,1-2H3/t12-,18+/m1/s1
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US Patent
n/an/a 0.170n/an/an/an/an/a37



The United States of America, as represented by the Secretary, Department of Health and Human Services

US Patent


Assay Description
To measure beta2-AR mediated inhibition of mitogenesis, HEK-beta2-AR, 1321N1 or U87MG cells were seeded in a 96-well plate at approximately 5,000 c...


US Patent US9492405 (2016)


BindingDB Entry DOI: 10.7270/Q2CJ8CBM
More data for this
Ligand-Target Pair
Adrenergic receptor


(Homo sapiens (Human))
BDBM50419668
PNG
(CHEMBL1947157)
Show SMILES O[C@@H](CNCCc1cccc(CNCCc2c(Cl)cccc2Cl)c1)c1ccc(O)c2[nH]c(=O)sc12
Show InChI InChI=1/C26H27Cl2N3O3S/c27-20-5-2-6-21(28)18(20)10-12-29-14-17-4-1-3-16(13-17)9-11-30-15-23(33)19-7-8-22(32)24-25(19)35-26(34)31-24/h1-8,13,23,29-30,32-33H,9-12,14-15H2,(H,31,34)/t23-/s2
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n/an/a 0.200n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of radiolabeled iodocyanopindolol from recombinant beta2 adrenoceptor


Bioorg Med Chem Lett 22: 689-95 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.049
BindingDB Entry DOI: 10.7270/Q2KW5H90
More data for this
Ligand-Target Pair
Adrenergic receptor


(Homo sapiens (Human))
BDBM50419678
PNG
(CHEMBL1945036)
Show SMILES CC(CNCc1ccc(CCNC[C@H](O)c2ccc(O)c3[nH]c(=O)sc23)cc1)c1ccccc1
Show InChI InChI=1/C27H31N3O3S/c1-18(21-5-3-2-4-6-21)15-29-16-20-9-7-19(8-10-20)13-14-28-17-24(32)22-11-12-23(31)25-26(22)34-27(33)30-25/h2-12,18,24,28-29,31-32H,13-17H2,1H3,(H,30,33)/t18?,24-/s2
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n/an/a 0.200n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of radiolabeled iodocyanopindolol from recombinant beta2 adrenoceptor


Bioorg Med Chem Lett 22: 689-95 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.049
BindingDB Entry DOI: 10.7270/Q2KW5H90
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))
BDBM50378915
PNG
(CHEMBL2011214)
Show SMILES O[C@@H](CNCCNC(=O)Nc1ccccc1F)COc1ccccc1C#N
Show InChI InChI=1/C19H21FN4O3/c20-16-6-2-3-7-17(16)24-19(26)23-10-9-22-12-15(25)13-27-18-8-4-1-5-14(18)11-21/h1-8,15,22,25H,9-10,12-13H2,(H2,23,24,26)/t15-/s2
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n/an/a 0.200n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H](-)-CGP-12177 from adrenergic beta1 receptor by cell based assay


ACS Med Chem Lett 2: 650-655 (2011)


Article DOI: 10.1021/ml1002458
BindingDB Entry DOI: 10.7270/Q25H7H8S
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50403738
PNG
(CHEMBL351483)
Show SMILES Cc1nc2ccc(Cl)cn2c(=O)c1CCN1CCc2oc3ccccc3c2C1
Show InChI InChI=1S/C22H20ClN3O2/c1-14-16(22(27)26-12-15(23)6-7-21(26)24-14)8-10-25-11-9-20-18(13-25)17-4-2-3-5-19(17)28-20/h2-7,12H,8-11,13H2,1H3
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n/an/a 0.214n/an/an/an/an/an/a



Janssen Research Foundation

Curated by ChEMBL


Assay Description
Binding affinity at human Alpha-2A adrenergic receptor in CHO cells by [3H]rauwolscine (1 nM) displacement.


Bioorg Med Chem Lett 10: 71-4 (2000)


Article DOI: 10.1016/s0960-894x(99)00591-0
BindingDB Entry DOI: 10.7270/Q2T72JMX
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50403753
PNG
(CHEMBL162682)
Show SMILES Cc1nc2ccc(I)cn2c(=O)c1CCN1CCc2oc3ccccc3c2C1
Show InChI InChI=1S/C22H20IN3O2/c1-14-16(22(27)26-12-15(23)6-7-21(26)24-14)8-10-25-11-9-20-18(13-25)17-4-2-3-5-19(17)28-20/h2-7,12H,8-11,13H2,1H3
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n/an/a 0.240n/an/an/an/an/an/a



Janssen Research Foundation

Curated by ChEMBL


Assay Description
Binding affinity at human Alpha-2A adrenergic receptor in CHO cells by [3H]rauwolscine (1 nM) displacement.


Bioorg Med Chem Lett 10: 71-4 (2000)


Article DOI: 10.1016/s0960-894x(99)00591-0
BindingDB Entry DOI: 10.7270/Q2T72JMX
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))
BDBM50378918
PNG
(CHEMBL2011217)
Show SMILES O[C@@H](CNCCNC(=O)Nc1ccc(OCCCF)cc1)COc1ccccc1C#N
Show InChI InChI=1/C22H27FN4O4/c23-10-3-13-30-20-8-6-18(7-9-20)27-22(29)26-12-11-25-15-19(28)16-31-21-5-2-1-4-17(21)14-24/h1-2,4-9,19,25,28H,3,10-13,15-16H2,(H2,26,27,29)/t19-/s2
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n/an/a 0.25n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H](-)-CGP-12177 from adrenergic beta1 receptor by cell based assay


ACS Med Chem Lett 2: 650-655 (2011)


Article DOI: 10.1021/ml1002458
BindingDB Entry DOI: 10.7270/Q25H7H8S
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(Homo sapiens (Human))
BDBM50230392
PNG
(CHEMBL554581)
Show SMILES Cl.CC(c1ncc[nH]1)c1cccc2ccccc12
Show InChI InChI=1/C15H14N2.ClH/c1-11(15-16-9-10-17-15)13-8-4-6-12-5-2-3-7-14(12)13;/h2-11H,1H3,(H,16,17);1H
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n/an/a 0.260n/an/an/an/an/an/a



Ohio State University

Curated by ChEMBL


Assay Description
Compound was evaluated for Adrenergic activity against Alpha-2 adrenergic receptor in human platelets


J Med Chem 35: 750-5 (1992)


Article DOI: 10.1021/jm00082a017
BindingDB Entry DOI: 10.7270/Q27H1MTJ
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50403755
PNG
(CHEMBL163190)
Show SMILES Cc1nc2cccc(C)n2c(=O)c1CCN1CCc2oc3ccccc3c2C1
Show InChI InChI=1S/C23H23N3O2/c1-15-6-5-9-22-24-16(2)17(23(27)26(15)22)10-12-25-13-11-21-19(14-25)18-7-3-4-8-20(18)28-21/h3-9H,10-14H2,1-2H3
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n/an/a 0.288n/an/an/an/an/an/a



Janssen Research Foundation

Curated by ChEMBL


Assay Description
Binding affinity at human Alpha-2A adrenergic receptor in CHO cells by [3H]rauwolscine (1 nM) displacement.


Bioorg Med Chem Lett 10: 71-4 (2000)


Article DOI: 10.1016/s0960-894x(99)00591-0
BindingDB Entry DOI: 10.7270/Q2T72JMX
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50403745
PNG
(CHEMBL162490)
Show SMILES COc1cccn2c1nc(C)c(CCN1CCc3oc4ccccc4c3C1)c2=O
Show InChI InChI=1S/C23H23N3O3/c1-15-16(23(27)26-11-5-8-21(28-2)22(26)24-15)9-12-25-13-10-20-18(14-25)17-6-3-4-7-19(17)29-20/h3-8,11H,9-10,12-14H2,1-2H3
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n/an/a 0.295n/an/an/an/an/an/a



Janssen Research Foundation

Curated by ChEMBL


Assay Description
Binding affinity at human Alpha-2A adrenergic receptor in CHO cells by [3H]rauwolscine (1 nM) displacement.


Bioorg Med Chem Lett 10: 71-4 (2000)


Article DOI: 10.1016/s0960-894x(99)00591-0
BindingDB Entry DOI: 10.7270/Q2T72JMX
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Homo sapiens (Human))
BDBM50172997
PNG
(CHEMBL3808726)
Show SMILES CC(Cc1cc2CCN(CCCO)c2c(c1)C(N)=O)NCCOc1cc(Br)ccc1OCC(F)(F)F
Show InChI InChI=1/C25H31BrF3N3O4/c1-16(31-6-10-35-22-14-19(26)3-4-21(22)36-15-25(27,28)29)11-17-12-18-5-8-32(7-2-9-33)23(18)20(13-17)24(30)34/h3-4,12-14,16,31,33H,2,5-11,15H2,1H3,(H2,30,34)
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n/an/a 0.300n/an/an/an/an/an/a



Chengdu University

Curated by ChEMBL


Assay Description
Antagonist activity at alpha-1D adrenergic receptor (unknown origin) transfected in HEK293 cells assessed as reduction in agonist-induced calcium mob...


J Med Chem 59: 3826-39 (2016)


Article DOI: 10.1021/acs.jmedchem.5b02023
BindingDB Entry DOI: 10.7270/Q22N5461
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))
BDBM50378926
PNG
(CHEMBL2011225)
Show SMILES O[C@@H](CNCCNC(=O)Nc1ccc(F)nc1)COc1ccccc1C#N
Show InChI InChI=1/C18H20FN5O3/c19-17-6-5-14(10-23-17)24-18(26)22-8-7-21-11-15(25)12-27-16-4-2-1-3-13(16)9-20/h1-6,10,15,21,25H,7-8,11-12H2,(H2,22,24,26)/t15-/s2
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n/an/a 0.300n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H](-)-CGP-12177 from adrenergic beta1 receptor by cell based assay


ACS Med Chem Lett 2: 650-655 (2011)


Article DOI: 10.1021/ml1002458
BindingDB Entry DOI: 10.7270/Q25H7H8S
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50173112
PNG
(CHEMBL3810110)
Show SMILES COc1ccc(F)cc1OCCNC(C)Cc1cc(C(N)=O)c2n(CCCO)ccc2c1
Show InChI InChI=1/C24H30FN3O4/c1-16(27-7-11-32-22-15-19(25)4-5-21(22)31-2)12-17-13-18-6-9-28(8-3-10-29)23(18)20(14-17)24(26)30/h4-6,9,13-16,27,29H,3,7-8,10-12H2,1-2H3,(H2,26,30)
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n/an/a 0.300n/an/an/an/an/an/a



Chengdu University

Curated by ChEMBL


Assay Description
Antagonist activity at human alpha-1A adrenergic receptor transfected in HEK293 cells assessed as reduction in agonist-induced calcium mobilization a...


J Med Chem 59: 3826-39 (2016)


Article DOI: 10.1021/acs.jmedchem.5b02023
BindingDB Entry DOI: 10.7270/Q22N5461
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50403748
PNG
(CHEMBL162232)
Show SMILES Cc1cc(C)n2c(c1)nc(C)c(CCN1CCc3oc4ccccc4c3C1)c2=O
Show InChI InChI=1S/C24H25N3O2/c1-15-12-16(2)27-23(13-15)25-17(3)18(24(27)28)8-10-26-11-9-22-20(14-26)19-6-4-5-7-21(19)29-22/h4-7,12-13H,8-11,14H2,1-3H3
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n/an/a 0.339n/an/an/an/an/an/a



Janssen Research Foundation

Curated by ChEMBL


Assay Description
Binding affinity at human Alpha-2A adrenergic receptor in CHO cells by [3H]rauwolscine (1 nM) displacement.


Bioorg Med Chem Lett 10: 71-4 (2000)


Article DOI: 10.1016/s0960-894x(99)00591-0
BindingDB Entry DOI: 10.7270/Q2T72JMX
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50403752
PNG
(CHEMBL162370)
Show SMILES Cc1ccc2nc(C)c(CCN3CCc4oc5ccccc5c4C3)c(=O)n2c1
Show InChI InChI=1S/C23H23N3O2/c1-15-7-8-22-24-16(2)17(23(27)26(22)13-15)9-11-25-12-10-21-19(14-25)18-5-3-4-6-20(18)28-21/h3-8,13H,9-12,14H2,1-2H3
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n/an/a 0.347n/an/an/an/an/an/a



Janssen Research Foundation

Curated by ChEMBL


Assay Description
Binding affinity at human Alpha-2A adrenergic receptor in CHO cells by [3H]rauwolscine (1 nM) displacement.


Bioorg Med Chem Lett 10: 71-4 (2000)


Article DOI: 10.1016/s0960-894x(99)00591-0
BindingDB Entry DOI: 10.7270/Q2T72JMX
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))
BDBM50378928
PNG
(CHEMBL2011228)
Show SMILES O[C@@H](CNCCNC(=O)Nc1cnc(Br)cn1)COc1ccccc1C#N
Show InChI InChI=1/C17H19BrN6O3/c18-15-9-23-16(10-22-15)24-17(26)21-6-5-20-8-13(25)11-27-14-4-2-1-3-12(14)7-19/h1-4,9-10,13,20,25H,5-6,8,11H2,(H2,21,23,24,26)/t13-/s2
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n/an/a 0.350n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H](-)-CGP-12177 from adrenergic beta1 receptor by cell based assay


ACS Med Chem Lett 2: 650-655 (2011)


Article DOI: 10.1021/ml1002458
BindingDB Entry DOI: 10.7270/Q25H7H8S
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50403740
PNG
(CHEMBL165350)
Show SMILES Cc1nc2ccc(Br)cn2c(=O)c1CCN1CCc2oc3ccccc3c2C1
Show InChI InChI=1S/C22H20BrN3O2/c1-14-16(22(27)26-12-15(23)6-7-21(26)24-14)8-10-25-11-9-20-18(13-25)17-4-2-3-5-19(17)28-20/h2-7,12H,8-11,13H2,1H3
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n/an/a 0.355n/an/an/an/an/an/a



Janssen Research Foundation

Curated by ChEMBL


Assay Description
Binding affinity at human Alpha-2A adrenergic receptor in CHO cells by [3H]rauwolscine (1 nM) displacement.


Bioorg Med Chem Lett 10: 71-4 (2000)


Article DOI: 10.1016/s0960-894x(99)00591-0
BindingDB Entry DOI: 10.7270/Q2T72JMX
More data for this
Ligand-Target Pair
Adrenergic receptor


(Homo sapiens (Human))
BDBM221910
PNG
(US9315463, 26)
Show SMILES COc1cc(NC(=O)OCCN(C)[C@H]2CC[C@@H](CC2)OC(=O)C(O)(c2cccs2)c2cccs2)c(Cl)cc1CNC[C@H](O)c1ccc(O)c2NC(=O)COc12
Show InChI InChI=1/C38H43ClN4O10S2/c1-43(23-7-9-24(10-8-23)53-36(47)38(49,31-5-3-15-54-31)32-6-4-16-55-32)13-14-51-37(48)41-27-18-30(50-2)22(17-26(27)39)19-40-20-29(45)25-11-12-28(44)34-35(25)52-21-33(46)42-34/h3-6,11-12,15-18,23-24,29,40,44-45,49H,7-10,13-14,19-21H2,1-2H3,(H,41,48)(H,42,46)/t23-,24-,29-/s2
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US Patent
n/an/a 0.380n/an/an/an/an/a25



Almirall, S.A.

US Patent


Assay Description
The study of binding to human adrenergic beta1 and beta2 receptors was performed using commercial membranes prepared from Sf9 cells where they are ov...


US Patent US9315463 (2016)


BindingDB Entry DOI: 10.7270/Q24X56MM
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Homo sapiens (Human))
BDBM50173118
PNG
(CHEMBL3808999)
Show SMILES CCc1ccccc1OCCNC(C)Cc1cc(C(N)=O)c2n(CCCO)ccc2c1
Show InChI InChI=1/C25H33N3O3/c1-3-20-7-4-5-8-23(20)31-14-10-27-18(2)15-19-16-21-9-12-28(11-6-13-29)24(21)22(17-19)25(26)30/h4-5,7-9,12,16-18,27,29H,3,6,10-11,13-15H2,1-2H3,(H2,26,30)
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n/an/a 0.400n/an/an/an/an/an/a



Chengdu University

Curated by ChEMBL


Assay Description
Antagonist activity at alpha-1D adrenergic receptor (unknown origin) transfected in HEK293 cells assessed as reduction in agonist-induced calcium mob...


J Med Chem 59: 3826-39 (2016)


Article DOI: 10.1021/acs.jmedchem.5b02023
BindingDB Entry DOI: 10.7270/Q22N5461
More data for this
Ligand-Target Pair
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