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Compile Data Set for Download or QSAR

Found 79 hits with Last Name = 'escolano' and Initial = 'c'   
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
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50514737
PNG
(CHEMBL4482861)
Show SMILES CCOP(=O)(OCC)C1(N=CC2C1C(=O)N(C2=O)c1ccccc1)c1ccccc1 |c:9|
Show InChI InChI=1S/C22H23N2O5P/c1-3-28-30(27,29-4-2)22(16-11-7-5-8-12-16)19-18(15-23-22)20(25)24(21(19)26)17-13-9-6-10-14-17/h5-15,18-19H,3-4H2,1-2H3
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0.0417n/an/an/an/an/an/an/an/a



University of Barcelona

Curated by ChEMBL


Assay Description
Displacement of [3H]RX821002 from alpha2-AR in human brain frontal cortex incubated for 30 mins by liquid scintillation spectrometry


J Med Chem 63: 3610-3633 (2020)


Article DOI: 10.1021/acs.jmedchem.9b02080
BindingDB Entry DOI: 10.7270/Q2FB569H
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50514738
PNG
(CHEMBL4536304)
Show SMILES CCOP(=O)(OCC)C1N=CC2C1C(=O)N(C2=O)c1ccc(OC)cc1 |c:9|
Show InChI InChI=1S/C17H21N2O6P/c1-4-24-26(22,25-5-2)15-14-13(10-18-15)16(20)19(17(14)21)11-6-8-12(23-3)9-7-11/h6-10,13-15H,4-5H2,1-3H3
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0.0537n/an/an/an/an/an/an/an/a



University of Barcelona

Curated by ChEMBL


Assay Description
Displacement of [3H]RX821002 from alpha2-AR in human brain frontal cortex incubated for 30 mins by liquid scintillation spectrometry


J Med Chem 63: 3610-3633 (2020)


Article DOI: 10.1021/acs.jmedchem.9b02080
BindingDB Entry DOI: 10.7270/Q2FB569H
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50514722
PNG
(CHEMBL4438801)
Show SMILES CCOP(=O)(OCC)C1(N=CC2C1C(=O)N(C2=O)c1cccc(c1)[N+]([O-])=O)c1ccccc1 |c:9|
Show InChI InChI=1S/C22H22N3O7P/c1-3-31-33(30,32-4-2)22(15-9-6-5-7-10-15)19-18(14-23-22)20(26)24(21(19)27)16-11-8-12-17(13-16)25(28)29/h5-14,18-19H,3-4H2,1-2H3
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0.0661n/an/an/an/an/an/an/an/a



University of Barcelona

Curated by ChEMBL


Assay Description
Displacement of [3H]RX821002 from alpha2-AR in human brain frontal cortex incubated for 30 mins by liquid scintillation spectrometry


J Med Chem 63: 3610-3633 (2020)


Article DOI: 10.1021/acs.jmedchem.9b02080
BindingDB Entry DOI: 10.7270/Q2FB569H
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50514727
PNG
(CHEMBL4483022)
Show SMILES CCOP(=O)(OCC)C1N=CC2C1C(=O)N(C1CCCCC1)C2=O |c:9|
Show InChI InChI=1S/C16H25N2O5P/c1-3-22-24(21,23-4-2)14-13-12(10-17-14)15(19)18(16(13)20)11-8-6-5-7-9-11/h10-14H,3-9H2,1-2H3
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0.324n/an/an/an/an/an/an/an/a



University of Barcelona

Curated by ChEMBL


Assay Description
Displacement of [3H]RX821002 from alpha2-AR in human brain frontal cortex incubated for 30 mins by liquid scintillation spectrometry


J Med Chem 63: 3610-3633 (2020)


Article DOI: 10.1021/acs.jmedchem.9b02080
BindingDB Entry DOI: 10.7270/Q2FB569H
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50514724
PNG
(CHEMBL4535472)
Show SMILES CCOP(=O)(OCC)C1(N=CC2C1C(=O)N(C1CCCCC1)C2=O)c1ccccc1 |c:9|
Show InChI InChI=1S/C22H29N2O5P/c1-3-28-30(27,29-4-2)22(16-11-7-5-8-12-16)19-18(15-23-22)20(25)24(21(19)26)17-13-9-6-10-14-17/h5,7-8,11-12,15,17-19H,3-4,6,9-10,13-14H2,1-2H3
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0.977n/an/an/an/an/an/an/an/a



University of Barcelona

Curated by ChEMBL


Assay Description
Displacement of [3H]RX821002 from alpha2-AR in human brain frontal cortex incubated for 30 mins by liquid scintillation spectrometry


J Med Chem 63: 3610-3633 (2020)


Article DOI: 10.1021/acs.jmedchem.9b02080
BindingDB Entry DOI: 10.7270/Q2FB569H
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50514745
PNG
(CHEMBL4439953)
Show SMILES CCOP(=O)(OCC)C1N=CC2C1C(=O)N(C2=O)c1ccc(F)c(Cl)c1 |c:9|
Show InChI InChI=1S/C16H17ClFN2O5P/c1-3-24-26(23,25-4-2)14-13-10(8-19-14)15(21)20(16(13)22)9-5-6-12(18)11(17)7-9/h5-8,10,13-14H,3-4H2,1-2H3
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3.20n/an/an/an/an/an/an/an/a



University of Barcelona

Curated by ChEMBL


Assay Description
Displacement of [3H]RX821002 from alpha2-AR in human brain frontal cortex incubated for 30 mins by liquid scintillation spectrometry


J Med Chem 63: 3610-3633 (2020)


Article DOI: 10.1021/acs.jmedchem.9b02080
BindingDB Entry DOI: 10.7270/Q2FB569H
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50514739
PNG
(CHEMBL4467833)
Show SMILES CCOP(=O)(OCC)C1N=CC2C1C(=O)N(C)C2=O |c:9|
Show InChI InChI=1S/C11H17N2O5P/c1-4-17-19(16,18-5-2)9-8-7(6-12-9)10(14)13(3)11(8)15/h6-9H,4-5H2,1-3H3
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4.5n/an/an/an/an/an/an/an/a



University of Barcelona

Curated by ChEMBL


Assay Description
Displacement of [3H]RX821002 from alpha2-AR in human brain frontal cortex incubated for 30 mins by liquid scintillation spectrometry


J Med Chem 63: 3610-3633 (2020)


Article DOI: 10.1021/acs.jmedchem.9b02080
BindingDB Entry DOI: 10.7270/Q2FB569H
More data for this
Ligand-Target Pair
Alpha-2A/Alpha-2B/Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50019848
PNG
(2-(2,3-dihydro-1,4-benzodioxin-2-yl)-4,5-dihydro-1...)
Show SMILES C1CN=C(N1)C1COc2ccccc2O1 |c:2|
Show InChI InChI=1S/C11H12N2O2/c1-2-4-9-8(3-1)14-7-10(15-9)11-12-5-6-13-11/h1-4,10H,5-7H2,(H,12,13)
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4.5n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-RX821002 from adrenergic alpha 2 receptor in post-mortem human brain frontal cortex membrane measured after 30 mins by liquid sc...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113540
BindingDB Entry DOI: 10.7270/Q2X06BVM
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50514718
PNG
(CHEMBL4438158)
Show SMILES CCOP(=O)(OCC)C1(N=CC2C1C(=O)N(Cc1ccccc1)C2=O)c1ccccc1 |c:9|
Show InChI InChI=1S/C23H25N2O5P/c1-3-29-31(28,30-4-2)23(18-13-9-6-10-14-18)20-19(15-24-23)21(26)25(22(20)27)16-17-11-7-5-8-12-17/h5-15,19-20H,3-4,16H2,1-2H3
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7.80n/an/an/an/an/an/an/an/a



University of Barcelona

Curated by ChEMBL


Assay Description
Displacement of [3H]RX821002 from alpha2-AR in human brain frontal cortex incubated for 30 mins by liquid scintillation spectrometry


J Med Chem 63: 3610-3633 (2020)


Article DOI: 10.1021/acs.jmedchem.9b02080
BindingDB Entry DOI: 10.7270/Q2FB569H
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50514734
PNG
(CHEMBL4568994)
Show SMILES CCOP(=O)(OCC)C1(Cc2ccc(F)cc2)N=CC2C1C(=O)N(C2=O)c1ccccc1 |c:18|
Show InChI InChI=1S/C23H24FN2O5P/c1-3-30-32(29,31-4-2)23(14-16-10-12-17(24)13-11-16)20-19(15-25-23)21(27)26(22(20)28)18-8-6-5-7-9-18/h5-13,15,19-20H,3-4,14H2,1-2H3
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63n/an/an/an/an/an/an/an/a



University of Barcelona

Curated by ChEMBL


Assay Description
Displacement of [3H]RX821002 from alpha2-AR in human brain frontal cortex incubated for 30 mins by liquid scintillation spectrometry


J Med Chem 63: 3610-3633 (2020)


Article DOI: 10.1021/acs.jmedchem.9b02080
BindingDB Entry DOI: 10.7270/Q2FB569H
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50514743
PNG
(CHEMBL4454147)
Show SMILES CCOP(=O)(OCC)C1(N=CC2C1C(=O)N(C2=O)c1ccccc1)c1ccc(F)cc1 |c:9|
Show InChI InChI=1S/C22H22FN2O5P/c1-3-29-31(28,30-4-2)22(15-10-12-16(23)13-11-15)19-18(14-24-22)20(26)25(21(19)27)17-8-6-5-7-9-17/h5-14,18-19H,3-4H2,1-2H3
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170n/an/an/an/an/an/an/an/a



University of Barcelona

Curated by ChEMBL


Assay Description
Displacement of [3H]RX821002 from alpha2-AR in human brain frontal cortex incubated for 30 mins by liquid scintillation spectrometry


J Med Chem 63: 3610-3633 (2020)


Article DOI: 10.1021/acs.jmedchem.9b02080
BindingDB Entry DOI: 10.7270/Q2FB569H
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50514751
PNG
(CHEMBL4554450)
Show SMILES CCOP(=O)(OCC)C1(N=CC2C1C(=O)N(C2=O)C(C)(C)C)c1ccccc1 |c:9|
Show InChI InChI=1S/C20H27N2O5P/c1-6-26-28(25,27-7-2)20(14-11-9-8-10-12-14)16-15(13-21-20)17(23)22(18(16)24)19(3,4)5/h8-13,15-16H,6-7H2,1-5H3
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170n/an/an/an/an/an/an/an/a



University of Barcelona

Curated by ChEMBL


Assay Description
Displacement of [3H]RX821002 from alpha2-AR in human brain frontal cortex incubated for 30 mins by liquid scintillation spectrometry


J Med Chem 63: 3610-3633 (2020)


Article DOI: 10.1021/acs.jmedchem.9b02080
BindingDB Entry DOI: 10.7270/Q2FB569H
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50086502
PNG
(2-BFi | 2-Benzofuran-2-yl-4,5-dihydro-1H-imidazole...)
Show SMILES C1CN=C(N1)c1cc2ccccc2o1 |c:2|
Show InChI InChI=1S/C11H10N2O/c1-2-4-9-8(3-1)7-10(14-9)11-12-5-6-13-11/h1-4,7H,5-6H2,(H,12,13)
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229n/an/an/an/an/an/an/an/a



University of Barcelona

Curated by ChEMBL


Assay Description
Displacement of [3H]RX821002 from alpha2-AR in human brain frontal cortex incubated for 30 mins by liquid scintillation spectrometry


J Med Chem 63: 3610-3633 (2020)


Article DOI: 10.1021/acs.jmedchem.9b02080
BindingDB Entry DOI: 10.7270/Q2FB569H
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50514721
PNG
(CHEMBL4450506)
Show SMILES CCOP(=O)(OCC)C1(N=CC2C1C(=O)N(C2=O)c1ccc(F)c(Cl)c1)c1ccccc1 |c:9|
Show InChI InChI=1S/C22H21ClFN2O5P/c1-3-30-32(29,31-4-2)22(14-8-6-5-7-9-14)19-16(13-25-22)20(27)26(21(19)28)15-10-11-18(24)17(23)12-15/h5-13,16,19H,3-4H2,1-2H3
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537n/an/an/an/an/an/an/an/a



University of Barcelona

Curated by ChEMBL


Assay Description
Displacement of [3H]RX821002 from alpha2-AR in human brain frontal cortex incubated for 30 mins by liquid scintillation spectrometry


J Med Chem 63: 3610-3633 (2020)


Article DOI: 10.1021/acs.jmedchem.9b02080
BindingDB Entry DOI: 10.7270/Q2FB569H
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50514721
PNG
(CHEMBL4450506)
Show SMILES CCOP(=O)(OCC)C1(N=CC2C1C(=O)N(C2=O)c1ccc(F)c(Cl)c1)c1ccccc1 |c:9|
Show InChI InChI=1S/C22H21ClFN2O5P/c1-3-30-32(29,31-4-2)22(14-8-6-5-7-9-14)19-16(13-25-22)20(27)26(21(19)28)15-10-11-18(24)17(23)12-15/h5-13,16,19H,3-4H2,1-2H3
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537n/an/an/an/an/an/an/an/a



University of Barcelona

Curated by ChEMBL


Assay Description
Displacement of [3H]RX821002 from alpha2-AR in human brain frontal cortex incubated for 30 mins by liquid scintillation spectrometry


J Med Chem 63: 3610-3633 (2020)


Article DOI: 10.1021/acs.jmedchem.9b02080
BindingDB Entry DOI: 10.7270/Q2FB569H
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50514730
PNG
(CHEMBL4456882)
Show SMILES CCOP(=O)(OCC)C1(N=CC2C1C(=O)N(C2=O)c1cc(Cl)cc(Cl)c1)c1ccccc1 |c:9|
Show InChI InChI=1S/C22H21Cl2N2O5P/c1-3-30-32(29,31-4-2)22(14-8-6-5-7-9-14)19-18(13-25-22)20(27)26(21(19)28)17-11-15(23)10-16(24)12-17/h5-13,18-19H,3-4H2,1-2H3
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603n/an/an/an/an/an/an/an/a



University of Barcelona

Curated by ChEMBL


Assay Description
Displacement of [3H]RX821002 from alpha2-AR in human brain frontal cortex incubated for 30 mins by liquid scintillation spectrometry


J Med Chem 63: 3610-3633 (2020)


Article DOI: 10.1021/acs.jmedchem.9b02080
BindingDB Entry DOI: 10.7270/Q2FB569H
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50514731
PNG
(CHEMBL4528557)
Show SMILES CCOP(=O)(OCC)C1(N=CC2C1C(=O)N(C2=O)c1ccccc1Cl)c1ccccc1 |c:9|
Show InChI InChI=1S/C22H22ClN2O5P/c1-3-29-31(28,30-4-2)22(15-10-6-5-7-11-15)19-16(14-24-22)20(26)25(21(19)27)18-13-9-8-12-17(18)23/h5-14,16,19H,3-4H2,1-2H3
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708n/an/an/an/an/an/an/an/a



University of Barcelona

Curated by ChEMBL


Assay Description
Displacement of [3H]RX821002 from alpha2-AR in human brain frontal cortex incubated for 30 mins by liquid scintillation spectrometry


J Med Chem 63: 3610-3633 (2020)


Article DOI: 10.1021/acs.jmedchem.9b02080
BindingDB Entry DOI: 10.7270/Q2FB569H
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50514725
PNG
(CHEMBL4459090)
Show SMILES CCOP(=O)(OCC)C1(N=CC2C1C(=O)N(C)C2=O)c1ccccc1 |c:9|
Show InChI InChI=1S/C17H21N2O5P/c1-4-23-25(22,24-5-2)17(12-9-7-6-8-10-12)14-13(11-18-17)15(20)19(3)16(14)21/h6-11,13-14H,4-5H2,1-3H3
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1.18E+3n/an/an/an/an/an/an/an/a



University of Barcelona

Curated by ChEMBL


Assay Description
Displacement of [3H]RX821002 from alpha2-AR in human brain frontal cortex incubated for 30 mins by liquid scintillation spectrometry


J Med Chem 63: 3610-3633 (2020)


Article DOI: 10.1021/acs.jmedchem.9b02080
BindingDB Entry DOI: 10.7270/Q2FB569H
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50514742
PNG
(CHEMBL4587519)
Show SMILES CCOP(=O)(OCC)C1(N=CC2C1C(=O)N(CC)C2=O)c1ccccc1 |c:9|
Show InChI InChI=1S/C18H23N2O5P/c1-4-20-16(21)14-12-19-18(15(14)17(20)22,13-10-8-7-9-11-13)26(23,24-5-2)25-6-3/h7-12,14-15H,4-6H2,1-3H3
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1.41E+3n/an/an/an/an/an/an/an/a



University of Barcelona

Curated by ChEMBL


Assay Description
Displacement of [3H]RX821002 from alpha2-AR in human brain frontal cortex incubated for 30 mins by liquid scintillation spectrometry


J Med Chem 63: 3610-3633 (2020)


Article DOI: 10.1021/acs.jmedchem.9b02080
BindingDB Entry DOI: 10.7270/Q2FB569H
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50514746
PNG
(CHEMBL4587003)
Show SMILES CCOP(=O)(OCC)C1(N=CC2C1C(=O)N(CCc1ccc(F)cc1)C2=O)c1ccccc1 |c:9|
Show InChI InChI=1S/C24H26FN2O5P/c1-3-31-33(30,32-4-2)24(18-8-6-5-7-9-18)21-20(16-26-24)22(28)27(23(21)29)15-14-17-10-12-19(25)13-11-17/h5-13,16,20-21H,3-4,14-15H2,1-2H3
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2.24E+3n/an/an/an/an/an/an/an/a



University of Barcelona

Curated by ChEMBL


Assay Description
Displacement of [3H]RX821002 from alpha2-AR in human brain frontal cortex incubated for 30 mins by liquid scintillation spectrometry


J Med Chem 63: 3610-3633 (2020)


Article DOI: 10.1021/acs.jmedchem.9b02080
BindingDB Entry DOI: 10.7270/Q2FB569H
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50514728
PNG
(CHEMBL4533687)
Show SMILES CCOP(=O)(OCC)C1(N=CC2C1C(=O)N(C2=O)c1ccc(Oc2ccccc2)cc1)c1ccccc1 |c:9|
Show InChI InChI=1S/C28H27N2O6P/c1-3-34-37(33,35-4-2)28(20-11-7-5-8-12-20)25-24(19-29-28)26(31)30(27(25)32)21-15-17-23(18-16-21)36-22-13-9-6-10-14-22/h5-19,24-25H,3-4H2,1-2H3
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3.72E+3n/an/an/an/an/an/an/an/a



University of Barcelona

Curated by ChEMBL


Assay Description
Displacement of [3H]RX821002 from alpha2-AR in human brain frontal cortex incubated for 30 mins by liquid scintillation spectrometry


J Med Chem 63: 3610-3633 (2020)


Article DOI: 10.1021/acs.jmedchem.9b02080
BindingDB Entry DOI: 10.7270/Q2FB569H
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50514750
PNG
(CHEMBL4475933)
Show SMILES CCOP(=O)(OCC)C1(N=CC2C1C(=O)N(C2=O)c1ccc(F)cc1)c1ccccc1 |c:9|
Show InChI InChI=1S/C22H22FN2O5P/c1-3-29-31(28,30-4-2)22(15-8-6-5-7-9-15)19-18(14-24-22)20(26)25(21(19)27)17-12-10-16(23)11-13-17/h5-14,18-19H,3-4H2,1-2H3
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4.57E+3n/an/an/an/an/an/an/an/a



University of Barcelona

Curated by ChEMBL


Assay Description
Displacement of [3H]RX821002 from alpha2-AR in human brain frontal cortex incubated for 30 mins by liquid scintillation spectrometry


J Med Chem 63: 3610-3633 (2020)


Article DOI: 10.1021/acs.jmedchem.9b02080
BindingDB Entry DOI: 10.7270/Q2FB569H
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50514747
PNG
(CHEMBL151697)
Show SMILES c1c[nH]c(n1)-c1cc2ccccc2o1
Show InChI InChI=1S/C11H8N2O/c1-2-4-9-8(3-1)7-10(14-9)11-12-5-6-13-11/h1-7H,(H,12,13)
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6.76E+3n/an/an/an/an/an/an/an/a



University of Barcelona

Curated by ChEMBL


Assay Description
Displacement of [3H]RX821002 from alpha2-AR in human brain frontal cortex incubated for 30 mins by liquid scintillation spectrometry


J Med Chem 63: 3610-3633 (2020)


Article DOI: 10.1021/acs.jmedchem.9b02080
BindingDB Entry DOI: 10.7270/Q2FB569H
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50514729
PNG
(CHEMBL4459403)
Show SMILES CCOP(=O)(OCC)C1(N=CC2C1C(=O)N(C2=O)c1c(Cl)cc(Cl)cc1Cl)c1ccccc1 |c:9|
Show InChI InChI=1S/C22H20Cl3N2O5P/c1-3-31-33(30,32-4-2)22(13-8-6-5-7-9-13)18-15(12-26-22)20(28)27(21(18)29)19-16(24)10-14(23)11-17(19)25/h5-12,15,18H,3-4H2,1-2H3
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6.92E+3n/an/an/an/an/an/an/an/a



University of Barcelona

Curated by ChEMBL


Assay Description
Displacement of [3H]RX821002 from alpha2-AR in human brain frontal cortex incubated for 30 mins by liquid scintillation spectrometry


J Med Chem 63: 3610-3633 (2020)


Article DOI: 10.1021/acs.jmedchem.9b02080
BindingDB Entry DOI: 10.7270/Q2FB569H
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50514719
PNG
(CHEMBL4590209)
Show SMILES CCOP(=O)(OCC)C1(N=CC2C1C(=O)N(C2=O)c1ccc(cc1)-c1ccccc1)c1ccccc1 |c:9|
Show InChI InChI=1S/C28H27N2O5P/c1-3-34-36(33,35-4-2)28(22-13-9-6-10-14-22)25-24(19-29-28)26(31)30(27(25)32)23-17-15-21(16-18-23)20-11-7-5-8-12-20/h5-19,24-25H,3-4H2,1-2H3
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7.59E+3n/an/an/an/an/an/an/an/a



University of Barcelona

Curated by ChEMBL


Assay Description
Displacement of [3H]RX821002 from alpha2-AR in human brain frontal cortex incubated for 30 mins by liquid scintillation spectrometry


J Med Chem 63: 3610-3633 (2020)


Article DOI: 10.1021/acs.jmedchem.9b02080
BindingDB Entry DOI: 10.7270/Q2FB569H
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50514726
PNG
(CHEMBL4546903)
Show SMILES CCOP(=O)(OCC)C1N=CC2C1C(=O)N(C2=O)c1ccccc1 |c:9|
Show InChI InChI=1S/C16H19N2O5P/c1-3-22-24(21,23-4-2)14-13-12(10-17-14)15(19)18(16(13)20)11-8-6-5-7-9-11/h5-10,12-14H,3-4H2,1-2H3
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9.55E+3n/an/an/an/an/an/an/an/a



University of Barcelona

Curated by ChEMBL


Assay Description
Displacement of [3H]RX821002 from alpha2-AR in human brain frontal cortex incubated for 30 mins by liquid scintillation spectrometry


J Med Chem 63: 3610-3633 (2020)


Article DOI: 10.1021/acs.jmedchem.9b02080
BindingDB Entry DOI: 10.7270/Q2FB569H
More data for this
Ligand-Target Pair
Alpha-2A/Alpha-2B/Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50572699
PNG
(CHEMBL4858960)
Show SMILES Cl.Brc1ccc2oc(cc2c1)-c1ncc[nH]1
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1.20E+4n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-RX821002 from adrenergic alpha 2 receptor in post-mortem human brain frontal cortex membrane measured after 30 mins by liquid sc...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113540
BindingDB Entry DOI: 10.7270/Q2X06BVM
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50514741
PNG
(CHEMBL4476557)
Show SMILES CCOP(=O)(OCC)C1(N=CC2C1C(=O)N(C2=O)c1ccc(cc1)C(F)(F)F)c1ccccc1 |c:9|
Show InChI InChI=1S/C23H22F3N2O5P/c1-3-32-34(31,33-4-2)22(15-8-6-5-7-9-15)19-18(14-27-22)20(29)28(21(19)30)17-12-10-16(11-13-17)23(24,25)26/h5-14,18-19H,3-4H2,1-2H3
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1.86E+4n/an/an/an/an/an/an/an/a



University of Barcelona

Curated by ChEMBL


Assay Description
Displacement of [3H]RX821002 from alpha2-AR in human brain frontal cortex incubated for 30 mins by liquid scintillation spectrometry


J Med Chem 63: 3610-3633 (2020)


Article DOI: 10.1021/acs.jmedchem.9b02080
BindingDB Entry DOI: 10.7270/Q2FB569H
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50514723
PNG
(CHEMBL4534152)
Show SMILES CCOP(=O)(OCC)C1(N=CC2C1C(=O)N(C2=O)c1ccc(OC)cc1)c1ccccc1 |c:9|
Show InChI InChI=1S/C23H25N2O6P/c1-4-30-32(28,31-5-2)23(16-9-7-6-8-10-16)20-19(15-24-23)21(26)25(22(20)27)17-11-13-18(29-3)14-12-17/h6-15,19-20H,4-5H2,1-3H3
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2.57E+4n/an/an/an/an/an/an/an/a



University of Barcelona

Curated by ChEMBL


Assay Description
Displacement of [3H]RX821002 from alpha2-AR in human brain frontal cortex incubated for 30 mins by liquid scintillation spectrometry


J Med Chem 63: 3610-3633 (2020)


Article DOI: 10.1021/acs.jmedchem.9b02080
BindingDB Entry DOI: 10.7270/Q2FB569H
More data for this
Ligand-Target Pair
Alpha-2A/Alpha-2B/Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50086502
PNG
(2-BFi | 2-Benzofuran-2-yl-4,5-dihydro-1H-imidazole...)
Show SMILES C1CN=C(N1)c1cc2ccccc2o1 |c:2|
Show InChI InChI=1S/C11H10N2O/c1-2-4-9-8(3-1)7-10(14-9)11-12-5-6-13-11/h1-4,7H,5-6H2,(H,12,13)
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2.63E+4n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-RX821002 from adrenergic alpha 2 receptor in post-mortem human brain frontal cortex membrane measured after 30 mins by liquid sc...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113540
BindingDB Entry DOI: 10.7270/Q2X06BVM
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50226966
PNG
(CHEMBL41103)
Show SMILES Cn1c(cc2ccccc12)C1=NCCN1 |t:12|
Show InChI InChI=1S/C12H13N3/c1-15-10-5-3-2-4-9(10)8-11(15)12-13-6-7-14-12/h2-5,8H,6-7H2,1H3,(H,13,14)
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4.27E+4n/an/an/an/an/an/an/an/a



University of Barcelona

Curated by ChEMBL


Assay Description
Displacement of [3H]RX821002 from alpha2-AR in human brain frontal cortex incubated for 30 mins by liquid scintillation spectrometry


J Med Chem 63: 3610-3633 (2020)


Article DOI: 10.1021/acs.jmedchem.9b02080
BindingDB Entry DOI: 10.7270/Q2FB569H
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50138500
PNG
(2-((E)-Styryl)-4,5-dihydro-1H-imidazole | 2-styryl...)
Show SMILES C1CN=C(N1)\C=C\c1ccccc1 |c:2|
Show InChI InChI=1S/C11H12N2/c1-2-4-10(5-3-1)6-7-11-12-8-9-13-11/h1-7H,8-9H2,(H,12,13)/b7-6+
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4.68E+4n/an/an/an/an/an/an/an/a



University of Barcelona

Curated by ChEMBL


Assay Description
Displacement of [3H]RX821002 from alpha2-AR in human brain frontal cortex incubated for 30 mins by liquid scintillation spectrometry


J Med Chem 63: 3610-3633 (2020)


Article DOI: 10.1021/acs.jmedchem.9b02080
BindingDB Entry DOI: 10.7270/Q2FB569H
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50514733
PNG
(CHEMBL4445396)
Show SMILES CCOP(=O)(OCC)C1(N=CC2C1C(=O)N(CC13CC4CC(CC(C4)C1)C3)C2=O)c1ccccc1 |c:9,TLB:16:17:20:24.23.22,THB:18:19:22:26.17.25,18:17:20.19.24:22,25:17:20:24.23.22,25:23:20:26.18.17|
Show InChI InChI=1S/C27H35N2O5P/c1-3-33-35(32,34-4-2)27(21-8-6-5-7-9-21)23-22(16-28-27)24(30)29(25(23)31)17-26-13-18-10-19(14-26)12-20(11-18)15-26/h5-9,16,18-20,22-23H,3-4,10-15,17H2,1-2H3
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4.90E+4n/an/an/an/an/an/an/an/a



University of Barcelona

Curated by ChEMBL


Assay Description
Displacement of [3H]RX821002 from alpha2-AR in human brain frontal cortex incubated for 30 mins by liquid scintillation spectrometry


J Med Chem 63: 3610-3633 (2020)


Article DOI: 10.1021/acs.jmedchem.9b02080
BindingDB Entry DOI: 10.7270/Q2FB569H
More data for this
Ligand-Target Pair
Alpha-2A/Alpha-2B/Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50572704
PNG
(CHEMBL4857105)
Show SMILES Cl.CCn1ccnc1-c1cc2cc(OC)ccc2o1
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6.17E+4n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-RX821002 from adrenergic alpha 2 receptor in post-mortem human brain frontal cortex membrane measured after 30 mins by liquid sc...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113540
BindingDB Entry DOI: 10.7270/Q2X06BVM
More data for this
Ligand-Target Pair
Alpha-2A/Alpha-2B/Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50572697
PNG
(CHEMBL4866205)
Show SMILES Cl.COc1ccc2oc(cc2c1)-c1ncc[nH]1
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1.15E+5n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-RX821002 from adrenergic alpha 2 receptor in post-mortem human brain frontal cortex membrane measured after 30 mins by liquid sc...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113540
BindingDB Entry DOI: 10.7270/Q2X06BVM
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50514720
PNG
(CHEMBL4469237)
Show SMILES CCOP(=O)(OCC)C1(Cc2ccccc2)N=CC2C1C(=O)N(C2=O)c1ccccc1 |c:17|
Show InChI InChI=1S/C23H25N2O5P/c1-3-29-31(28,30-4-2)23(15-17-11-7-5-8-12-17)20-19(16-24-23)21(26)25(22(20)27)18-13-9-6-10-14-18/h5-14,16,19-20H,3-4,15H2,1-2H3
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1.15E+5n/an/an/an/an/an/an/an/a



University of Barcelona

Curated by ChEMBL


Assay Description
Displacement of [3H]RX821002 from alpha2-AR in human brain frontal cortex incubated for 30 mins by liquid scintillation spectrometry


J Med Chem 63: 3610-3633 (2020)


Article DOI: 10.1021/acs.jmedchem.9b02080
BindingDB Entry DOI: 10.7270/Q2FB569H
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50514735
PNG
(CHEMBL4584406)
Show SMILES CCOP(=O)(OCC)C1(N=CC2C1C(=O)N(C2=O)c1ccccc1)c1ccc(OC)cc1 |c:9|
Show InChI InChI=1S/C23H25N2O6P/c1-4-30-32(28,31-5-2)23(16-11-13-18(29-3)14-12-16)20-19(15-24-23)21(26)25(22(20)27)17-9-7-6-8-10-17/h6-15,19-20H,4-5H2,1-3H3
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1.41E+5n/an/an/an/an/an/an/an/a



University of Barcelona

Curated by ChEMBL


Assay Description
Displacement of [3H]RX821002 from alpha2-AR in human brain frontal cortex incubated for 30 mins by liquid scintillation spectrometry


J Med Chem 63: 3610-3633 (2020)


Article DOI: 10.1021/acs.jmedchem.9b02080
BindingDB Entry DOI: 10.7270/Q2FB569H
More data for this
Ligand-Target Pair
Alpha-2A/Alpha-2B/Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50572700
PNG
(CHEMBL4857248)
Show SMILES Cl.Oc1ccc2oc(cc2c1)-c1ncc[nH]1
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1.45E+5n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-RX821002 from adrenergic alpha 2 receptor in post-mortem human brain frontal cortex membrane measured after 30 mins by liquid sc...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113540
BindingDB Entry DOI: 10.7270/Q2X06BVM
More data for this
Ligand-Target Pair
Alpha-2A/Alpha-2B/Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50572703
PNG
(CHEMBL4855194)
Show SMILES Cl.CCn1ccnc1-c1cc2ccccc2o1
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1.70E+5n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-RX821002 from adrenergic alpha 2 receptor in post-mortem human brain frontal cortex membrane measured after 30 mins by liquid sc...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113540
BindingDB Entry DOI: 10.7270/Q2X06BVM
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50514744
PNG
(CHEMBL4434967)
Show SMILES CCOP(=O)(OCC)C1(N=CC2C1C(=O)N(CCc1ccccc1)C2=O)c1ccccc1 |c:9|
Show InChI InChI=1S/C24H27N2O5P/c1-3-30-32(29,31-4-2)24(19-13-9-6-10-14-19)21-20(17-25-24)22(27)26(23(21)28)16-15-18-11-7-5-8-12-18/h5-14,17,20-21H,3-4,15-16H2,1-2H3
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1.70E+5n/an/an/an/an/an/an/an/a



University of Barcelona

Curated by ChEMBL


Assay Description
Displacement of [3H]RX821002 from alpha2-AR in human brain frontal cortex incubated for 30 mins by liquid scintillation spectrometry


J Med Chem 63: 3610-3633 (2020)


Article DOI: 10.1021/acs.jmedchem.9b02080
BindingDB Entry DOI: 10.7270/Q2FB569H
More data for this
Ligand-Target Pair
Alpha-2A/Alpha-2B/Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50572701
PNG
(CHEMBL4856962)
Show SMILES Cl.Oc1ccc2cc(oc2c1)-c1ncc[nH]1
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1.74E+5n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-RX821002 from adrenergic alpha 2 receptor in post-mortem human brain frontal cortex membrane measured after 30 mins by liquid sc...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113540
BindingDB Entry DOI: 10.7270/Q2X06BVM
More data for this
Ligand-Target Pair
Alpha-2A/Alpha-2B/Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50572702
PNG
(CHEMBL4859523)
Show SMILES Cl.Cn1ccnc1-c1cc2ccccc2o1
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1.78E+5n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-RX821002 from adrenergic alpha 2 receptor in post-mortem human brain frontal cortex membrane measured after 30 mins by liquid sc...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113540
BindingDB Entry DOI: 10.7270/Q2X06BVM
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50514732
PNG
(CHEMBL4553853)
Show SMILES CCOP(=O)(OCC)C1(N=CC2C1C(=O)N(C1Cc3ccccc3C1)C2=O)c1ccccc1 |c:9|
Show InChI InChI=1S/C25H27N2O5P/c1-3-31-33(30,32-4-2)25(19-12-6-5-7-13-19)22-21(16-26-25)23(28)27(24(22)29)20-14-17-10-8-9-11-18(17)15-20/h5-13,16,20-22H,3-4,14-15H2,1-2H3
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3.63E+5n/an/an/an/an/an/an/an/a



University of Barcelona

Curated by ChEMBL


Assay Description
Displacement of [3H]RX821002 from alpha2-AR in human brain frontal cortex incubated for 30 mins by liquid scintillation spectrometry


J Med Chem 63: 3610-3633 (2020)


Article DOI: 10.1021/acs.jmedchem.9b02080
BindingDB Entry DOI: 10.7270/Q2FB569H
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50514736
PNG
(CHEMBL4465834)
Show SMILES CCOP(=O)(OCC)C1(N=CC2C1C(=O)N(C2=O)c1ccc(F)c(Cl)c1)c1ccc(F)cc1 |c:9|
Show InChI InChI=1S/C22H20ClF2N2O5P/c1-3-31-33(30,32-4-2)22(13-5-7-14(24)8-6-13)19-16(12-26-22)20(28)27(21(19)29)15-9-10-18(25)17(23)11-15/h5-12,16,19H,3-4H2,1-2H3
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PubMed
4.17E+5n/an/an/an/an/an/an/an/a



University of Barcelona

Curated by ChEMBL


Assay Description
Displacement of [3H]RX821002 from alpha2-AR in human brain frontal cortex incubated for 30 mins by liquid scintillation spectrometry


J Med Chem 63: 3610-3633 (2020)


Article DOI: 10.1021/acs.jmedchem.9b02080
BindingDB Entry DOI: 10.7270/Q2FB569H
More data for this
Ligand-Target Pair
Alpha-2A/Alpha-2B/Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50514747
PNG
(CHEMBL151697)
Show SMILES c1c[nH]c(n1)-c1cc2ccccc2o1
Show InChI InChI=1S/C11H8N2O/c1-2-4-9-8(3-1)7-10(14-9)11-12-5-6-13-11/h1-7H,(H,12,13)
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PubMed
6.61E+5n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-RX821002 from adrenergic alpha 2 receptor in post-mortem human brain frontal cortex membrane measured after 30 mins by liquid sc...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113540
BindingDB Entry DOI: 10.7270/Q2X06BVM
More data for this
Ligand-Target Pair
Alpha-2A/Alpha-2B/Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50572705
PNG
(CHEMBL4864517)
Show SMILES Cl.CCn1ccnc1-c1cc2ccc(OC)cc2o1
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6.76E+5n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-RX821002 from adrenergic alpha 2 receptor in post-mortem human brain frontal cortex membrane measured after 30 mins by liquid sc...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113540
BindingDB Entry DOI: 10.7270/Q2X06BVM
More data for this
Ligand-Target Pair
Nischarin


(Homo sapiens (Human))
BDBM50514721
PNG
(CHEMBL4450506)
Show SMILES CCOP(=O)(OCC)C1(N=CC2C1C(=O)N(C2=O)c1ccc(F)c(Cl)c1)c1ccccc1 |c:9|
Show InChI InChI=1S/C22H21ClFN2O5P/c1-3-30-32(29,31-4-2)22(14-8-6-5-7-9-14)19-16(13-25-22)20(27)26(21(19)28)15-10-11-18(24)17(23)12-15/h5-13,16,19H,3-4H2,1-2H3
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9.12E+5n/an/an/an/an/an/an/an/a



University of Barcelona

Curated by ChEMBL


Assay Description
Displacement of [3H]clonidine from I1IR in human brain frontal cortex in presence of adrenaline incubated for 45 mins by liquid scintillation spectro...


J Med Chem 63: 3610-3633 (2020)


Article DOI: 10.1021/acs.jmedchem.9b02080
BindingDB Entry DOI: 10.7270/Q2FB569H
More data for this
Ligand-Target Pair
Alpha-2A/Alpha-2B/Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50572698
PNG
(CHEMBL4861634)
Show SMILES Cl.COc1ccc2cc(oc2c1)-c1ncc[nH]1
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9.77E+5n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-RX821002 from adrenergic alpha 2 receptor in post-mortem human brain frontal cortex membrane measured after 30 mins by liquid sc...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113540
BindingDB Entry DOI: 10.7270/Q2X06BVM
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50514740
PNG
(CHEMBL4531381)
Show SMILES CCOP(=O)(OCC)C1(N=CC2C1C(=O)N(C2=O)c1cccc2ccccc12)c1ccccc1 |c:9|
Show InChI InChI=1S/C26H25N2O5P/c1-3-32-34(31,33-4-2)26(19-13-6-5-7-14-19)23-21(17-27-26)24(29)28(25(23)30)22-16-10-12-18-11-8-9-15-20(18)22/h5-17,21,23H,3-4H2,1-2H3
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<1.00E+6n/an/an/an/an/an/an/an/a



University of Barcelona

Curated by ChEMBL


Assay Description
Displacement of [3H]RX821002 from alpha2-AR in human brain frontal cortex incubated for 30 mins by liquid scintillation spectrometry


J Med Chem 63: 3610-3633 (2020)


Article DOI: 10.1021/acs.jmedchem.9b02080
BindingDB Entry DOI: 10.7270/Q2FB569H
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50514748
PNG
(CHEMBL4527478)
Show SMILES CCOP(=O)(OCC)C1(N=CC2C1C(=O)N(C2=O)c1cccnc1Cl)c1ccccc1 |c:9|
Show InChI InChI=1S/C21H21ClN3O5P/c1-3-29-31(28,30-4-2)21(14-9-6-5-7-10-14)17-15(13-24-21)19(26)25(20(17)27)16-11-8-12-23-18(16)22/h5-13,15,17H,3-4H2,1-2H3
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<1.00E+6n/an/an/an/an/an/an/an/a



University of Barcelona

Curated by ChEMBL


Assay Description
Displacement of [3H]RX821002 from alpha2-AR in human brain frontal cortex incubated for 30 mins by liquid scintillation spectrometry


J Med Chem 63: 3610-3633 (2020)


Article DOI: 10.1021/acs.jmedchem.9b02080
BindingDB Entry DOI: 10.7270/Q2FB569H
More data for this
Ligand-Target Pair
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