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Compile Data Set for Download or QSAR

Found 110 hits with Last Name = 'brocos-mosquera' and Initial = 'i'   
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/Alpha-2B/Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50562355
PNG
(CHEMBL4755913)
Show SMILES Cl.Cl.CCCNC(=N)Nc1ccc(Cc2ccc(NC3=NCCN3)cc2)cc1 |t:17|
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0.820n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-RX821002 from adrenergic alpha 2 receptor in human brain membrane by liquid scintillation spectroscopy


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112947
BindingDB Entry DOI: 10.7270/Q2F47SVD
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/Alpha-2B/Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50476638
PNG
(CHEMBL75389)
Show SMILES C(c1ccc(NC2=NCCN2)cc1)c1ccc(NC2=NCCN2)cc1 |t:6,20|
Show InChI InChI=1S/C19H22N6/c1-5-16(24-18-20-9-10-21-18)6-2-14(1)13-15-3-7-17(8-4-15)25-19-22-11-12-23-19/h1-8H,9-13H2,(H2,20,21,24)(H2,22,23,25)
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1.60n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-RX821002 from adrenergic alpha 2 receptor in human brain membrane by liquid scintillation spectroscopy


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112947
BindingDB Entry DOI: 10.7270/Q2F47SVD
More data for this
Ligand-Target Pair
Alpha-2A/Alpha-2B/Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50562354
PNG
(CHEMBL4763113)
Show SMILES Cl.Cl.N=C(NCc1ccco1)Nc1ccc(Cc2ccc(NC3=NCCN3)cc2)cc1 |t:21|
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1.80n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-RX821002 from adrenergic alpha 2 receptor in human brain membrane by liquid scintillation spectroscopy


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112947
BindingDB Entry DOI: 10.7270/Q2F47SVD
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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Patents


Similars

Article
PubMed
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/Alpha-2B/Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50562353
PNG
(CHEMBL3216452)
Show SMILES Cl.Cl.[#7]-[#6](=[#7])-[#7]-c1ccc(-[#6]-c2ccc(cc2)\[#7]=[#6]-2\[#7]-[#6]-[#6]-[#7]-2)cc1
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12n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-RX821002 from adrenergic alpha 2 receptor in human brain membrane by liquid scintillation spectroscopy


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112947
BindingDB Entry DOI: 10.7270/Q2F47SVD
More data for this
Ligand-Target Pair
Alpha-2A/Alpha-2B/Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50562356
PNG
(CHEMBL4798553)
Show SMILES Cl.Cl.N=C(NCc1ccco1)Nc1ccc(Cc2ccc(NC3=NCCN3)cc2)cn1 |t:21|
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34n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-RX821002 from adrenergic alpha 2 receptor in human brain membrane by liquid scintillation spectroscopy


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112947
BindingDB Entry DOI: 10.7270/Q2F47SVD
More data for this
Ligand-Target Pair
Alpha-2A/Alpha-2B/Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50562362
PNG
(CHEMBL444295)
Show SMILES C1CN=C(Nc2ccc3CCCCc3c2)N1 |t:2|
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47n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-RX821002 from adrenergic alpha 2 receptor in human brain membrane by liquid scintillation spectroscopy


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112947
BindingDB Entry DOI: 10.7270/Q2F47SVD
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/Alpha-2B/Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50562360
PNG
(CHEMBL4745647)
Show SMILES Cl.Cl.CCCNC(=N)Nc1ccc(Cc2ccc(NC3=NCCN3)cc2)cn1 |t:17|
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68n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-RX821002 from adrenergic alpha 2 receptor in human brain membrane by liquid scintillation spectroscopy


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112947
BindingDB Entry DOI: 10.7270/Q2F47SVD
More data for this
Ligand-Target Pair
Alpha-2A/Alpha-2B/Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50562361
PNG
(CHEMBL451179)
Show SMILES NC(=N)Nc1ccc2CCCCc2c1
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78n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-RX821002 from adrenergic alpha 2 receptor in human brain membrane by liquid scintillation spectroscopy


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112947
BindingDB Entry DOI: 10.7270/Q2F47SVD
More data for this
Ligand-Target Pair
Alpha-2A/Alpha-2B/Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50562359
PNG
(CHEMBL4799288)
Show SMILES Cl.Cl.NC(=N)Nc1ccc(Cc2ccc(NC3=NCCN3)cc2)cn1 |t:14|
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87n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-RX821002 from adrenergic alpha 2 receptor in human brain membrane by liquid scintillation spectroscopy


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112947
BindingDB Entry DOI: 10.7270/Q2F47SVD
More data for this
Ligand-Target Pair
Alpha-2A/Alpha-2B/Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50562357
PNG
(CHEMBL4795780)
Show SMILES Cl.Cl.CCCNC(=N)Nc1ccc(Cc2ccc(NC3=NCCN3)nc2)cn1 |t:17|
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90n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-RX821002 from adrenergic alpha 2 receptor in human brain membrane by liquid scintillation spectroscopy


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112947
BindingDB Entry DOI: 10.7270/Q2F47SVD
More data for this
Ligand-Target Pair
Alpha-2A/Alpha-2B/Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50562358
PNG
(CHEMBL4787567)
Show SMILES Cl.Cl.CCCNC(=N)Nc1ccc(Cc2ccc(NC3=NCCN3)nc2)cc1 |t:17|
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120n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-RX821002 from adrenergic alpha 2 receptor in human brain membrane by liquid scintillation spectroscopy


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112947
BindingDB Entry DOI: 10.7270/Q2F47SVD
More data for this
Ligand-Target Pair
Alpha-2A/Alpha-2B/Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50562371
PNG
(CHEMBL4790650)
Show SMILES Cl.Cl.NC(=N)Nc1ccc(Cc2ccc(NC3=NCCN3)nc2)cn1 |t:14|
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138n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-RX821002 from adrenergic alpha 2 receptor in human brain membrane by liquid scintillation spectroscopy


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112947
BindingDB Entry DOI: 10.7270/Q2F47SVD
More data for this
Ligand-Target Pair
Alpha-2A/Alpha-2B/Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50562364
PNG
(CHEMBL4764564)
Show SMILES NC(=N)NC1NC=C2CCCCC2=C1 |c:13,t:6|
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166n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-RX821002 from adrenergic alpha 2 receptor in human brain membrane by liquid scintillation spectroscopy


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112947
BindingDB Entry DOI: 10.7270/Q2F47SVD
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))
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/Alpha-2B/Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50562368
PNG
(CHEMBL3217127)
Show SMILES Cl.Cl.[#7]-[#6](=[#7])-[#7]-c1ccc(-[#6]-[#6]-c2ccc(cc2)\[#7]=[#6]-2\[#7]-[#6]-[#6]-[#7]-2)cc1
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175n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-RX821002 from adrenergic alpha 2 receptor in human brain membrane by liquid scintillation spectroscopy


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112947
BindingDB Entry DOI: 10.7270/Q2F47SVD
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/Alpha-2B/Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50562363
PNG
(CHEMBL3304530)
Show SMILES CN(C)c1ccc(cc1)\N=C(\N)NCc1ccco1
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232n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-RX821002 from adrenergic alpha 2 receptor in human brain membrane by liquid scintillation spectroscopy


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112947
BindingDB Entry DOI: 10.7270/Q2F47SVD
More data for this
Ligand-Target Pair
Alpha-2A/Alpha-2B/Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50562372
PNG
(CHEMBL4744028)
Show SMILES Cl.Cl.N=C(NCc1ccco1)Nc1ccc(Cc2ccc(NC3=NCCN3)nc2)cn1 |t:21|
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263n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-RX821002 from adrenergic alpha 2 receptor in human brain membrane by liquid scintillation spectroscopy


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112947
BindingDB Entry DOI: 10.7270/Q2F47SVD
More data for this
Ligand-Target Pair
Alpha-2A/Alpha-2B/Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50562365
PNG
(CHEMBL4778444)
Show SMILES Cl.Cl.N=C(NCc1ccco1)Nc1ccc(Cc2ccc(NC(=N)NCc3ccco3)cc2)cc1
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355n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-RX821002 from adrenergic alpha 2 receptor in human brain membrane by liquid scintillation spectroscopy


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112947
BindingDB Entry DOI: 10.7270/Q2F47SVD
More data for this
Ligand-Target Pair
Alpha-2A/Alpha-2B/Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50562369
PNG
(CHEMBL4762029)
Show SMILES Cl.Cl.N=C(NCc1ccco1)Nc1ccc(CCc2ccc(NC3=NCCN3)cc2)cc1 |t:22|
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418n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-RX821002 from adrenergic alpha 2 receptor in human brain membrane by liquid scintillation spectroscopy


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112947
BindingDB Entry DOI: 10.7270/Q2F47SVD
More data for this
Ligand-Target Pair
Alpha-2A/Alpha-2B/Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50562374
PNG
(CHEMBL4747130)
Show SMILES Cl.Cl.N=C(NCc1ccco1)Nc1ccc(Cc2ccc(NC3=NCCN3)nc2)cc1 |t:21|
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433n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-RX821002 from adrenergic alpha 2 receptor in human brain membrane by liquid scintillation spectroscopy


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112947
BindingDB Entry DOI: 10.7270/Q2F47SVD
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/Alpha-2B/Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50562373
PNG
(CHEMBL4795084)
Show SMILES Cl.Cl.NC(=N)Nc1ccc(Cc2ccc(NC3=NCCN3)nc2)cc1 |t:14|
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674n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-RX821002 from adrenergic alpha 2 receptor in human brain membrane by liquid scintillation spectroscopy


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112947
BindingDB Entry DOI: 10.7270/Q2F47SVD
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/Alpha-2B/Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50562367
PNG
(CHEMBL4748073)
Show SMILES Cl.Cl.CCCNC(=N)Nc1ccc(Cc2ccc(NC(=N)NCCC)cc2)cc1
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742n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-RX821002 from adrenergic alpha 2 receptor in human brain membrane by liquid scintillation spectroscopy


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112947
BindingDB Entry DOI: 10.7270/Q2F47SVD
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/Alpha-2B/Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50562370
PNG
(CHEMBL4800044)
Show SMILES Cl.Cl.CCCNC(=N)Nc1ccc(CCc2ccc(NC3=NCCN3)cc2)cc1 |t:18|
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1.75E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-RX821002 from adrenergic alpha 2 receptor in human brain membrane by liquid scintillation spectroscopy


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112947
BindingDB Entry DOI: 10.7270/Q2F47SVD
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/Alpha-2B/Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50562366
PNG
(CHEMBL4759811)
Show SMILES Cl.Cl.OCCNC(=N)Nc1ccc(Cc2ccc(NC(=N)NCCO)cc2)cc1
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2.49E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-RX821002 from adrenergic alpha 2 receptor in human brain membrane by liquid scintillation spectroscopy


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112947
BindingDB Entry DOI: 10.7270/Q2F47SVD
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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UniChem
Article
PubMed
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
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
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
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
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
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