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Compile Data Set for Download or QSAR

Found 275 hits with Last Name = 'cordi' and Initial = 'aa'   
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 [16-465]/Alpha-2B adrenergic receptor/Alpha-2C adrenergic receptor


(RAT-NEONATAL RAT-Rattus norvegicus (rat))
BDBM81807
PNG
(ATIPAMEZOLE | CAS_104054-27-5 | NSC_71310)
Show SMILES CCC1(Cc2ccccc2C1)c1cnc[nH]1
Show InChI InChI=1S/C14H16N2/c1-2-14(13-9-15-10-16-13)7-11-5-3-4-6-12(11)8-14/h3-6,9-10H,2,7-8H2,1H3,(H,15,16)
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0.126n/an/an/an/an/an/an/an/a



Institut de Recherches Servier

Curated by PDSP Ki Database


Assay Description
In vitro binding affinity against alpha-2 adrenergic receptor of rat in presence of [3H]-RX 821002 radioligand


J Med Chem 44: 787-805 (2001)


Article DOI: 10.1021/jm001040g
BindingDB Entry DOI: 10.7270/Q2JQ13R9
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor [16-465]/Alpha-2B adrenergic receptor/Alpha-2C adrenergic receptor


(RAT-NEONATAL RAT-Rattus norvegicus (rat))
BDBM50473523
PNG
(CHEMBL167578)
Show SMILES [H][C@@]1(CN=CN1)C1CC11Cc2ccccc2C1 |c:3|
Show InChI InChI=1S/C14H16N2/c1-2-4-11-6-14(5-10(11)3-1)7-12(14)13-8-15-9-16-13/h1-4,9,12-13H,5-8H2,(H,15,16)/t12?,13-/m1/s1
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0.794n/an/an/an/an/an/an/an/a



Institut de Recherches Servier

Curated by PDSP Ki Database


Assay Description
In vitro binding affinity against alpha-2 adrenergic receptor of rat in presence of [3H]-RX 821002 radioligand


J Med Chem 44: 787-805 (2001)


Article DOI: 10.1021/jm001040g
BindingDB Entry DOI: 10.7270/Q2JQ13R9
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor [16-465]/Alpha-2B adrenergic receptor/Alpha-2C adrenergic receptor


(RAT-NEONATAL RAT-Rattus norvegicus (rat))
BDBM50473526
PNG
(CHEMBL168201)
Show SMILES C(c1c[nH]cn1)C1=Cc2ccccc2CC1 |t:7|
Show InChI InChI=1S/C14H14N2/c1-2-4-13-7-11(5-6-12(13)3-1)8-14-9-15-10-16-14/h1-4,7,9-10H,5-6,8H2,(H,15,16)
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1.30n/an/an/an/an/an/an/an/a



Institut de Recherches Servier

Curated by PDSP Ki Database


Assay Description
In vitro binding affinity against alpha-2 adrenergic receptor of rat in presence of [3H]-RX 821002 radioligand


J Med Chem 44: 787-805 (2001)


Article DOI: 10.1021/jm001040g
BindingDB Entry DOI: 10.7270/Q2JQ13R9
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50473529
PNG
(CHEMBL165529)
Show SMILES [H][C@]12CC[C@]3(CN=CN3)C[C@]1([H])Cc1ccccc1C2 |c:6|
Show InChI InChI=1S/C16H20N2/c1-2-4-13-8-15-9-16(10-17-11-18-16)6-5-14(15)7-12(13)3-1/h1-4,11,14-15H,5-10H2,(H,17,18)/t14-,15+,16-/m1/s1
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1.30n/an/an/an/an/an/an/an/a



Institut de Recherches Servier

Curated by PDSP Ki Database


Assay Description
Binding affinity for human alpha-2 adrenergic receptor expressed in CHO cell


J Med Chem 44: 787-805 (2001)


Article DOI: 10.1021/jm001040g
BindingDB Entry DOI: 10.7270/Q2JQ13R9
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor [16-465]/Alpha-2B adrenergic receptor/Alpha-2C adrenergic receptor


(RAT-NEONATAL RAT-Rattus norvegicus (rat))
BDBM50473556
PNG
(CHEMBL355467)
Show SMILES Fc1cccc2CC(CC3CN=CN3)Cc12 |c:11|
Show InChI InChI=1S/C13H15FN2/c14-13-3-1-2-10-4-9(6-12(10)13)5-11-7-15-8-16-11/h1-3,8-9,11H,4-7H2,(H,15,16)
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1.30n/an/an/an/an/an/an/an/a



Institut de Recherches Servier

Curated by PDSP Ki Database


Assay Description
In vitro binding affinity against alpha-2 adrenergic receptor of rat in presence of [3H]-RX 821002 radioligand


J Med Chem 44: 787-805 (2001)


Article DOI: 10.1021/jm001040g
BindingDB Entry DOI: 10.7270/Q2JQ13R9
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor [16-465]/Alpha-2B adrenergic receptor/Alpha-2C adrenergic receptor


(RAT-NEONATAL RAT-Rattus norvegicus (rat))
BDBM50473533
PNG
(CHEMBL166690)
Show SMILES Clc1cccc2CCC(CC3CN=CN3)Cc12 |c:12|
Show InChI InChI=1S/C14H17ClN2/c15-14-3-1-2-11-5-4-10(7-13(11)14)6-12-8-16-9-17-12/h1-3,9-10,12H,4-8H2,(H,16,17)
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1.60n/an/an/an/an/an/an/an/a



Institut de Recherches Servier

Curated by PDSP Ki Database


Assay Description
In vitro binding affinity against alpha-2 adrenergic receptor of rat in presence of [3H]-RX 821002 radioligand


J Med Chem 44: 787-805 (2001)


Article DOI: 10.1021/jm001040g
BindingDB Entry DOI: 10.7270/Q2JQ13R9
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50031306
PNG
(8-chlorospiro[1,2,3,4-tetrahydronaphthalene-2,4'-(...)
Show SMILES NC1=NC2(CO1)CCc1cccc(Cl)c1C2 |t:1|
Show InChI InChI=1S/C12H13ClN2O/c13-10-3-1-2-8-4-5-12(6-9(8)10)7-16-11(14)15-12/h1-3H,4-7H2,(H2,14,15)
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1.60n/an/an/an/an/an/an/an/a



Institut de Recherches Servier

Curated by ChEMBL


Assay Description
Binding affinity towards Alpha-2A adrenergic receptor in human platelets using [3H]-RX-821002 as radioligand


J Med Chem 38: 4056-69 (1995)


BindingDB Entry DOI: 10.7270/Q2DV1HXN
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50473565
PNG
(CHEMBL436234)
Show SMILES Fc1ccc2CCC(CC3CN=CN3)=Cc2c1 |c:11,14|
Show InChI InChI=1S/C14H15FN2/c15-13-4-3-11-2-1-10(5-12(11)7-13)6-14-8-16-9-17-14/h3-5,7,9,14H,1-2,6,8H2,(H,16,17)
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1.60n/an/an/an/an/an/an/an/a



Institut de Recherches Servier

Curated by PDSP Ki Database


Assay Description
In vitro binding affinity was determined against serotonin reuptake site of rat in presence of [3H]paroxetine radioligand


J Med Chem 44: 787-805 (2001)


Article DOI: 10.1021/jm001040g
BindingDB Entry DOI: 10.7270/Q2JQ13R9
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50473534
PNG
(CHEMBL354611)
Show SMILES [H][C@]1(CN=CN1)C1C[C@@]11CCc2ccccc2C1 |c:3|
Show InChI InChI=1S/C15H18N2/c1-2-4-12-7-15(6-5-11(12)3-1)8-13(15)14-9-16-10-17-14/h1-4,10,13-14H,5-9H2,(H,16,17)/t13?,14-,15-/m0/s1
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2n/an/an/an/an/an/an/an/a



Institut de Recherches Servier

Curated by PDSP Ki Database


Assay Description
In vitro binding affinity was determined against serotonin reuptake site of rat in presence of [3H]paroxetine radioligand


J Med Chem 44: 787-805 (2001)


Article DOI: 10.1021/jm001040g
BindingDB Entry DOI: 10.7270/Q2JQ13R9
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor [16-465]/Alpha-2B adrenergic receptor/Alpha-2C adrenergic receptor


(RAT-NEONATAL RAT-Rattus norvegicus (rat))
BDBM50473543
PNG
(CHEMBL353843)
Show SMILES C(C1Cc2ccccc2C1)C1CN=CN1 |c:14|
Show InChI InChI=1S/C13H16N2/c1-2-4-12-6-10(5-11(12)3-1)7-13-8-14-9-15-13/h1-4,9-10,13H,5-8H2,(H,14,15)
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2n/an/an/an/an/an/an/an/a



Institut de Recherches Servier

Curated by PDSP Ki Database


Assay Description
In vitro binding affinity against alpha-2 adrenergic receptor of rat in presence of [3H]-RX 821002 radioligand


J Med Chem 44: 787-805 (2001)


Article DOI: 10.1021/jm001040g
BindingDB Entry DOI: 10.7270/Q2JQ13R9
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50031324
PNG
(5',7'-dichlorospiro[4,5-dihydro-1H-imidazole-4,2'-...)
Show SMILES Clc1cc(Cl)c2CCC3(CNC=N3)Cc2c1 |c:11|
Show InChI InChI=1S/C12H12Cl2N2/c13-9-3-8-5-12(6-15-7-16-12)2-1-10(8)11(14)4-9/h3-4,7H,1-2,5-6H2,(H,15,16)
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3n/an/an/an/an/an/an/an/a



Institut de Recherches Servier

Curated by ChEMBL


Assay Description
Binding affinity towards Alpha-2A adrenergic receptor in human platelets using [3H]-RX-821002 as radioligand


J Med Chem 38: 4056-69 (1995)


BindingDB Entry DOI: 10.7270/Q2DV1HXN
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50473534
PNG
(CHEMBL354611)
Show SMILES [H][C@]1(CN=CN1)C1C[C@@]11CCc2ccccc2C1 |c:3|
Show InChI InChI=1S/C15H18N2/c1-2-4-12-7-15(6-5-11(12)3-1)8-13(15)14-9-16-10-17-14/h1-4,10,13-14H,5-9H2,(H,16,17)/t13?,14-,15-/m0/s1
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3.20n/an/an/an/an/an/an/an/a



Institut de Recherches Servier

Curated by PDSP Ki Database


Assay Description
Binding affinity for human alpha-2 adrenergic receptor expressed in CHO cell


J Med Chem 44: 787-805 (2001)


Article DOI: 10.1021/jm001040g
BindingDB Entry DOI: 10.7270/Q2JQ13R9
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM81807
PNG
(ATIPAMEZOLE | CAS_104054-27-5 | NSC_71310)
Show SMILES CCC1(Cc2ccccc2C1)c1cnc[nH]1
Show InChI InChI=1S/C14H16N2/c1-2-14(13-9-15-10-16-13)7-11-5-3-4-6-12(11)8-14/h3-6,9-10H,2,7-8H2,1H3,(H,15,16)
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3.20n/an/an/an/an/an/an/an/a



Institut de Recherches Servier

Curated by PDSP Ki Database


Assay Description
Binding affinity for human alpha-2 adrenergic receptor expressed in CHO cell


J Med Chem 44: 787-805 (2001)


Article DOI: 10.1021/jm001040g
BindingDB Entry DOI: 10.7270/Q2JQ13R9
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor [16-465]/Alpha-2B adrenergic receptor/Alpha-2C adrenergic receptor


(RAT-NEONATAL RAT-Rattus norvegicus (rat))
BDBM50454831
PNG
(Napamezole)
Show SMILES C(C1=NCCN1)C1=Cc2ccccc2CC1 |t:1,7|
Show InChI InChI=1S/C14H16N2/c1-2-4-13-9-11(5-6-12(13)3-1)10-14-15-7-8-16-14/h1-4,9H,5-8,10H2,(H,15,16)
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3.20n/an/an/an/an/an/an/an/a



Institut de Recherches Servier

Curated by PDSP Ki Database


Assay Description
In vitro binding affinity against alpha-2 adrenergic receptor of rat in presence of [3H]-RX 821002 radioligand


J Med Chem 44: 787-805 (2001)


Article DOI: 10.1021/jm001040g
BindingDB Entry DOI: 10.7270/Q2JQ13R9
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50473543
PNG
(CHEMBL353843)
Show SMILES C(C1Cc2ccccc2C1)C1CN=CN1 |c:14|
Show InChI InChI=1S/C13H16N2/c1-2-4-12-6-10(5-11(12)3-1)7-13-8-14-9-15-13/h1-4,9-10,13H,5-8H2,(H,14,15)
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4n/an/an/an/an/an/an/an/a



Institut de Recherches Servier

Curated by PDSP Ki Database


Assay Description
Binding affinity for human alpha-2 adrenergic receptor expressed in CHO cell


J Med Chem 44: 787-805 (2001)


Article DOI: 10.1021/jm001040g
BindingDB Entry DOI: 10.7270/Q2JQ13R9
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50473533
PNG
(CHEMBL166690)
Show SMILES Clc1cccc2CCC(CC3CN=CN3)Cc12 |c:12|
Show InChI InChI=1S/C14H17ClN2/c15-14-3-1-2-11-5-4-10(7-13(11)14)6-12-8-16-9-17-12/h1-3,9-10,12H,4-8H2,(H,16,17)
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5n/an/an/an/an/an/an/an/a



Institut de Recherches Servier

Curated by PDSP Ki Database


Assay Description
In vitro binding affinity was determined against serotonin reuptake site of rat in presence of [3H]paroxetine radioligand


J Med Chem 44: 787-805 (2001)


Article DOI: 10.1021/jm001040g
BindingDB Entry DOI: 10.7270/Q2JQ13R9
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM30130
PNG
(CHEMBL1201082 | CHEMBL41 | Fluoxetin | Fluoxetine ...)
Show SMILES CNCCC(Oc1ccc(cc1)C(F)(F)F)c1ccccc1
Show InChI InChI=1S/C17H18F3NO/c1-21-12-11-16(13-5-3-2-4-6-13)22-15-9-7-14(8-10-15)17(18,19)20/h2-10,16,21H,11-12H2,1H3
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6.30n/an/an/an/an/an/an/an/a



Institut de Recherches Servier

Curated by PDSP Ki Database


Assay Description
Binding affinity for human alpha-2 adrenergic receptor expressed in CHO cell


J Med Chem 44: 787-805 (2001)


Article DOI: 10.1021/jm001040g
BindingDB Entry DOI: 10.7270/Q2JQ13R9
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor [16-465]/Alpha-2B adrenergic receptor/Alpha-2C adrenergic receptor


(RAT-NEONATAL RAT-Rattus norvegicus (rat))
BDBM50473534
PNG
(CHEMBL354611)
Show SMILES [H][C@]1(CN=CN1)C1C[C@@]11CCc2ccccc2C1 |c:3|
Show InChI InChI=1S/C15H18N2/c1-2-4-12-7-15(6-5-11(12)3-1)8-13(15)14-9-16-10-17-14/h1-4,10,13-14H,5-9H2,(H,16,17)/t13?,14-,15-/m0/s1
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6.30n/an/an/an/an/an/an/an/a



Institut de Recherches Servier

Curated by PDSP Ki Database


Assay Description
In vitro binding affinity against alpha-2 adrenergic receptor of rat in presence of [3H]-RX 821002 radioligand


J Med Chem 44: 787-805 (2001)


Article DOI: 10.1021/jm001040g
BindingDB Entry DOI: 10.7270/Q2JQ13R9
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50031311
PNG
(7'-methylspiro[4,5-dihydro-1H-imidazole-4,2'-(1',2...)
Show SMILES Cc1ccc2CCC3(CNC=N3)Cc2c1 |c:10|
Show InChI InChI=1S/C13H16N2/c1-10-2-3-11-4-5-13(7-12(11)6-10)8-14-9-15-13/h2-3,6,9H,4-5,7-8H2,1H3,(H,14,15)
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7n/an/an/an/an/an/an/an/a



Institut de Recherches Servier

Curated by ChEMBL


Assay Description
Binding affinity towards Alpha-2A adrenergic receptor in human platelets using [3H]-RX-821002 as radioligand


J Med Chem 38: 4056-69 (1995)


BindingDB Entry DOI: 10.7270/Q2DV1HXN
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor [16-465]/Alpha-2B adrenergic receptor/Alpha-2C adrenergic receptor


(RAT-NEONATAL RAT-Rattus norvegicus (rat))
BDBM50131357
PNG
(4-(5-Fluoro-indan-2-ylmethyl)-4,5-dihydro-1H-imida...)
Show SMILES Fc1ccc2CC(CC3CNC=N3)Cc2c1 |c:11|
Show InChI InChI=1S/C13H15FN2/c14-12-2-1-10-3-9(4-11(10)6-12)5-13-7-15-8-16-13/h1-2,6,8-9,13H,3-5,7H2,(H,15,16)
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7.90n/an/an/an/an/an/an/an/a



Institut de Recherches Servier

Curated by PDSP Ki Database


Assay Description
In vitro binding affinity against alpha-2 adrenergic receptor of rat in presence of [3H]-RX 821002 radioligand


J Med Chem 44: 787-805 (2001)


Article DOI: 10.1021/jm001040g
BindingDB Entry DOI: 10.7270/Q2JQ13R9
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50473560
PNG
(CHEMBL166748)
Show SMILES C(C1CN=CN1)C1CCc2ccccc2C1 |c:3|
Show InChI InChI=1S/C14H18N2/c1-2-4-13-7-11(5-6-12(13)3-1)8-14-9-15-10-16-14/h1-4,10-11,14H,5-9H2,(H,15,16)
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10n/an/an/an/an/an/an/an/a



Institut de Recherches Servier

Curated by PDSP Ki Database


Assay Description
In vitro binding affinity was determined against serotonin reuptake site of rat in presence of [3H]paroxetine radioligand


J Med Chem 44: 787-805 (2001)


Article DOI: 10.1021/jm001040g
BindingDB Entry DOI: 10.7270/Q2JQ13R9
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor [16-465]/Alpha-2B adrenergic receptor/Alpha-2C adrenergic receptor


(RAT-NEONATAL RAT-Rattus norvegicus (rat))
BDBM50473529
PNG
(CHEMBL165529)
Show SMILES [H][C@]12CC[C@]3(CN=CN3)C[C@]1([H])Cc1ccccc1C2 |c:6|
Show InChI InChI=1S/C16H20N2/c1-2-4-13-8-15-9-16(10-17-11-18-16)6-5-14(15)7-12(13)3-1/h1-4,11,14-15H,5-10H2,(H,17,18)/t14-,15+,16-/m1/s1
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10n/an/an/an/an/an/an/an/a



Institut de Recherches Servier

Curated by PDSP Ki Database


Assay Description
In vitro binding affinity against alpha-2 adrenergic receptor of rat in presence of [3H]-RX 821002 radioligand


J Med Chem 44: 787-805 (2001)


Article DOI: 10.1021/jm001040g
BindingDB Entry DOI: 10.7270/Q2JQ13R9
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50473547
PNG
(CHEMBL166648)
Show SMILES C[C@@]1(C[C@@H]2CN=CN2)CCc2ccccc2C1 |c:5|
Show InChI InChI=1S/C15H20N2/c1-15(9-14-10-16-11-17-14)7-6-12-4-2-3-5-13(12)8-15/h2-5,11,14H,6-10H2,1H3,(H,16,17)/t14-,15-/m1/s1
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10n/an/an/an/an/an/an/an/a



Institut de Recherches Servier

Curated by PDSP Ki Database


Assay Description
In vitro binding affinity was determined against serotonin reuptake site of rat in presence of [3H]paroxetine radioligand


J Med Chem 44: 787-805 (2001)


Article DOI: 10.1021/jm001040g
BindingDB Entry DOI: 10.7270/Q2JQ13R9
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM30130
PNG
(CHEMBL1201082 | CHEMBL41 | Fluoxetin | Fluoxetine ...)
Show SMILES CNCCC(Oc1ccc(cc1)C(F)(F)F)c1ccccc1
Show InChI InChI=1S/C17H18F3NO/c1-21-12-11-16(13-5-3-2-4-6-13)22-15-9-7-14(8-10-15)17(18,19)20/h2-10,16,21H,11-12H2,1H3
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10n/an/an/an/an/an/an/an/a



Institut de Recherches Servier

Curated by PDSP Ki Database


Assay Description
In vitro binding affinity was determined against serotonin reuptake site of rat in presence of [3H]paroxetine radioligand


J Med Chem 44: 787-805 (2001)


Article DOI: 10.1021/jm001040g
BindingDB Entry DOI: 10.7270/Q2JQ13R9
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50031301
PNG
(8'-fluorospiro[4,5-dihydro-1H-imidazole-4,2'-(1',2...)
Show SMILES Fc1cccc2CCC3(CNC=N3)Cc12 |c:11|
Show InChI InChI=1S/C12H13FN2/c13-11-3-1-2-9-4-5-12(6-10(9)11)7-14-8-15-12/h1-3,8H,4-7H2,(H,14,15)
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12n/an/an/an/an/an/an/an/a



Institut de Recherches Servier

Curated by ChEMBL


Assay Description
Binding affinity towards Alpha-2A adrenergic receptor in human platelets using [3H]-RX-821002 as radioligand


J Med Chem 38: 4056-69 (1995)


BindingDB Entry DOI: 10.7270/Q2DV1HXN
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50031316
PNG
(5'-methoxyspiro[4,5-dihydro-1H-imidazole-4,2'-(1',...)
Show SMILES COc1cccc2CC3(CNC=N3)CCc12 |c:11|
Show InChI InChI=1S/C13H16N2O/c1-16-12-4-2-3-10-7-13(6-5-11(10)12)8-14-9-15-13/h2-4,9H,5-8H2,1H3,(H,14,15)
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12n/an/an/an/an/an/an/an/a



Institut de Recherches Servier

Curated by ChEMBL


Assay Description
Binding affinity towards Alpha-2A adrenergic receptor in human platelets using [3H]-RX-821002 as radioligand


J Med Chem 38: 4056-69 (1995)


BindingDB Entry DOI: 10.7270/Q2DV1HXN
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50473550
PNG
(CHEMBL354072)
Show SMILES Cc1cccc2CCC(CC3CN=CN3)=Cc12 |c:12,15|
Show InChI InChI=1S/C15H18N2/c1-11-3-2-4-13-6-5-12(8-15(11)13)7-14-9-16-10-17-14/h2-4,8,10,14H,5-7,9H2,1H3,(H,16,17)
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13n/an/an/an/an/an/an/an/a



Institut de Recherches Servier

Curated by PDSP Ki Database


Assay Description
In vitro binding affinity was determined against serotonin reuptake site of rat in presence of [3H]paroxetine radioligand


J Med Chem 44: 787-805 (2001)


Article DOI: 10.1021/jm001040g
BindingDB Entry DOI: 10.7270/Q2JQ13R9
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50473555
PNG
(CHEMBL352643)
Show SMILES Fc1cc2CC(CC3CN=CN3)Cc2cc1F |c:9|
Show InChI InChI=1S/C13H14F2N2/c14-12-4-9-1-8(2-10(9)5-13(12)15)3-11-6-16-7-17-11/h4-5,7-8,11H,1-3,6H2,(H,16,17)
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13n/an/an/an/an/an/an/an/a



Institut de Recherches Servier

Curated by PDSP Ki Database


Assay Description
In vitro binding affinity was determined against serotonin reuptake site of rat in presence of [3H]paroxetine radioligand


J Med Chem 44: 787-805 (2001)


Article DOI: 10.1021/jm001040g
BindingDB Entry DOI: 10.7270/Q2JQ13R9
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor [16-465]/Alpha-2B adrenergic receptor/Alpha-2C adrenergic receptor


(RAT-NEONATAL RAT-Rattus norvegicus (rat))
BDBM50473525
PNG
(CHEMBL167644)
Show SMILES C(C1CN=CN1)c1cc2ccccc2o1 |c:3|
Show InChI InChI=1S/C12H12N2O/c1-2-4-12-9(3-1)5-11(15-12)6-10-7-13-8-14-10/h1-5,8,10H,6-7H2,(H,13,14)
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13n/an/an/an/an/an/an/an/a



Institut de Recherches Servier

Curated by PDSP Ki Database


Assay Description
In vitro binding affinity against alpha-2 adrenergic receptor of rat in presence of [3H]-RX 821002 radioligand


J Med Chem 44: 787-805 (2001)


Article DOI: 10.1021/jm001040g
BindingDB Entry DOI: 10.7270/Q2JQ13R9
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor [16-465]/Alpha-2B adrenergic receptor/Alpha-2C adrenergic receptor


(RAT-NEONATAL RAT-Rattus norvegicus (rat))
BDBM50473560
PNG
(CHEMBL166748)
Show SMILES C(C1CN=CN1)C1CCc2ccccc2C1 |c:3|
Show InChI InChI=1S/C14H18N2/c1-2-4-13-7-11(5-6-12(13)3-1)8-14-9-15-10-16-14/h1-4,10-11,14H,5-9H2,(H,15,16)
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16n/an/an/an/an/an/an/an/a



Institut de Recherches Servier

Curated by PDSP Ki Database


Assay Description
In vitro binding affinity against alpha-2 adrenergic receptor of rat in presence of [3H]-RX 821002 radioligand


J Med Chem 44: 787-805 (2001)


Article DOI: 10.1021/jm001040g
BindingDB Entry DOI: 10.7270/Q2JQ13R9
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50473563
PNG
(CHEMBL352636)
Show SMILES COc1cccc2CCC(CC3CN=CN3)=Cc12 |c:13,16|
Show InChI InChI=1S/C15H18N2O/c1-18-15-4-2-3-12-6-5-11(8-14(12)15)7-13-9-16-10-17-13/h2-4,8,10,13H,5-7,9H2,1H3,(H,16,17)
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16n/an/an/an/an/an/an/an/a



Institut de Recherches Servier

Curated by PDSP Ki Database


Assay Description
In vitro binding affinity was determined against serotonin reuptake site of rat in presence of [3H]paroxetine radioligand


J Med Chem 44: 787-805 (2001)


Article DOI: 10.1021/jm001040g
BindingDB Entry DOI: 10.7270/Q2JQ13R9
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus)
BDBM50335519
PNG
((S)-3,6-Diamino-hexanoic acid {(3S,9S,12S,15S)-3-(...)
Show SMILES CN[C@H](CC(C)C)C(=O)N[C@@H]1[C@H](O)c2ccc(Oc3cc4cc(Oc5ccc(cc5Cl)[C@@H](O)[C@@H]5NC(=O)[C@H](NC(=O)[C@@H]4NC(=O)[C@H](CC(N)=O)NC1=O)c1ccc(O)c(c1)-c1c(O)cc(O)cc1[C@H](NC5=O)C(O)=O)c3O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O[C@H]1C[C@](C)(N)[C@H](O)[C@H](C)O1)c(Cl)c2 |r|
Show InChI InChI=1S/C66H75Cl2N9O24/c1-23(2)12-34(71-5)58(88)76-49-51(83)26-7-10-38(32(67)14-26)97-40-16-28-17-41(55(40)101-65-56(54(86)53(85)42(22-78)99-65)100-44-21-66(4,70)57(87)24(3)96-44)98-39-11-8-27(15-33(39)68)52(84)50-63(93)75-48(64(94)95)31-18-29(79)19-37(81)45(31)30-13-25(6-9-36(30)80)46(60(90)77-50)74-61(91)47(28)73-59(89)35(20-43(69)82)72-62(49)92/h6-11,13-19,23-24,34-35,42,44,46-54,56-57,65,71,78-81,83-87H,12,20-22,70H2,1-5H3,(H2,69,82)(H,72,92)(H,73,89)(H,74,91)(H,75,93)(H,76,88)(H,77,90)(H,94,95)/t24-,34+,35-,42+,44-,46+,47+,48-,49+,50-,51+,52+,53+,54-,56+,57+,65-,66-/m0/s1
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16n/an/an/an/an/an/an/an/a



Institut de Recherches Servier

Curated by PDSP Ki Database


Assay Description
In vitro binding affinity was determined against NA (noradrenaline) reuptake site of rat in presence of [3H]nisoxetine radioligand


J Med Chem 44: 787-805 (2001)


Article DOI: 10.1021/jm001040g
BindingDB Entry DOI: 10.7270/Q2JQ13R9
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor [16-465]/Alpha-2B adrenergic receptor/Alpha-2C adrenergic receptor


(RAT-NEONATAL RAT-Rattus norvegicus (rat))
BDBM50473566
PNG
(CHEMBL166448)
Show SMILES C(C1CN=CN1)C1=Cc2ccccc2C1 |c:3,t:7|
Show InChI InChI=1S/C13H14N2/c1-2-4-12-6-10(5-11(12)3-1)7-13-8-14-9-15-13/h1-5,9,13H,6-8H2,(H,14,15)
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16n/an/an/an/an/an/an/an/a



Institut de Recherches Servier

Curated by PDSP Ki Database


Assay Description
In vitro binding affinity against alpha-2 adrenergic receptor of rat in presence of [3H]-RX 821002 radioligand


J Med Chem 44: 787-805 (2001)


Article DOI: 10.1021/jm001040g
BindingDB Entry DOI: 10.7270/Q2JQ13R9
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50473529
PNG
(CHEMBL165529)
Show SMILES [H][C@]12CC[C@]3(CN=CN3)C[C@]1([H])Cc1ccccc1C2 |c:6|
Show InChI InChI=1S/C16H20N2/c1-2-4-13-8-15-9-16(10-17-11-18-16)6-5-14(15)7-12(13)3-1/h1-4,11,14-15H,5-10H2,(H,17,18)/t14-,15+,16-/m1/s1
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16n/an/an/an/an/an/an/an/a



Institut de Recherches Servier

Curated by PDSP Ki Database


Assay Description
In vitro binding affinity was determined against serotonin reuptake site of rat in presence of [3H]paroxetine radioligand


J Med Chem 44: 787-805 (2001)


Article DOI: 10.1021/jm001040g
BindingDB Entry DOI: 10.7270/Q2JQ13R9
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50473539
PNG
(CHEMBL167394)
Show SMILES Cc1ccc2C=C(CC3CN=CN3)CCc2c1 |c:10,t:5|
Show InChI InChI=1S/C15H18N2/c1-11-2-4-14-7-12(3-5-13(14)6-11)8-15-9-16-10-17-15/h2,4,6-7,10,15H,3,5,8-9H2,1H3,(H,16,17)
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16n/an/an/an/an/an/an/an/a



Institut de Recherches Servier

Curated by PDSP Ki Database


Assay Description
In vitro binding affinity was determined against serotonin reuptake site of rat in presence of [3H]paroxetine radioligand


J Med Chem 44: 787-805 (2001)


Article DOI: 10.1021/jm001040g
BindingDB Entry DOI: 10.7270/Q2JQ13R9
More data for this
Ligand-Target Pair
Alpha-2B adrenergic receptor


(NEONATAL RAT)
BDBM50031306
PNG
(8-chlorospiro[1,2,3,4-tetrahydronaphthalene-2,4'-(...)
Show SMILES NC1=NC2(CO1)CCc1cccc(Cl)c1C2 |t:1|
Show InChI InChI=1S/C12H13ClN2O/c13-10-3-1-2-8-4-5-12(6-9(8)10)7-16-11(14)15-12/h1-3H,4-7H2,(H2,14,15)
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20n/an/an/an/an/an/an/an/a



Institut de Recherches Servier

Curated by ChEMBL


Assay Description
Binding affinity towards Alpha-2B adrenergic receptor in neonatal rat lung using [3H]-RX-821002 as radioligand


J Med Chem 38: 4056-69 (1995)


BindingDB Entry DOI: 10.7270/Q2DV1HXN
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50473545
PNG
(CHEMBL168205)
Show SMILES [H][C@@]1(C[C@@]23CC2c2ccccc2CC3)CN=CN1 |c:18|
Show InChI InChI=1S/C15H18N2/c1-2-4-13-11(3-1)5-6-15(8-14(13)15)7-12-9-16-10-17-12/h1-4,10,12,14H,5-9H2,(H,16,17)/t12-,14?,15+/m1/s1
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20n/an/an/an/an/an/an/an/a



Institut de Recherches Servier

Curated by PDSP Ki Database


Assay Description
In vitro binding affinity was determined against serotonin reuptake site of rat in presence of [3H]paroxetine radioligand


J Med Chem 44: 787-805 (2001)


Article DOI: 10.1021/jm001040g
BindingDB Entry DOI: 10.7270/Q2JQ13R9
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50473553
PNG
(CHEMBL353200)
Show SMILES Clc1cccc2CCC(CC3CN=CN3)=Cc12 |c:12,15|
Show InChI InChI=1S/C14H15ClN2/c15-14-3-1-2-11-5-4-10(7-13(11)14)6-12-8-16-9-17-12/h1-3,7,9,12H,4-6,8H2,(H,16,17)
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20n/an/an/an/an/an/an/an/a



Institut de Recherches Servier

Curated by PDSP Ki Database


Assay Description
In vitro binding affinity was determined against serotonin reuptake site of rat in presence of [3H]paroxetine radioligand


J Med Chem 44: 787-805 (2001)


Article DOI: 10.1021/jm001040g
BindingDB Entry DOI: 10.7270/Q2JQ13R9
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50473531
PNG
(CHEMBL168022)
Show SMILES Cc1cc2CC(CC3CN=CN3)Cc2cc1C |c:9|
Show InChI InChI=1S/C15H20N2/c1-10-3-13-5-12(6-14(13)4-11(10)2)7-15-8-16-9-17-15/h3-4,9,12,15H,5-8H2,1-2H3,(H,16,17)
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Curated by PDSP Ki Database


Assay Description
In vitro binding affinity was determined against serotonin reuptake site of rat in presence of [3H]paroxetine radioligand


J Med Chem 44: 787-805 (2001)


Article DOI: 10.1021/jm001040g
BindingDB Entry DOI: 10.7270/Q2JQ13R9
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus)
BDBM50473554
PNG
(CHEMBL168168)
Show SMILES Clc1cccc2ccc(CC3CN=CN3)cc12 |c:12|
Show InChI InChI=1S/C14H13ClN2/c15-14-3-1-2-11-5-4-10(7-13(11)14)6-12-8-16-9-17-12/h1-5,7,9,12H,6,8H2,(H,16,17)
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Institut de Recherches Servier

Curated by PDSP Ki Database


Assay Description
In vitro binding affinity was determined against NA (noradrenaline) reuptake site of rat in presence of [3H]nisoxetine radioligand


J Med Chem 44: 787-805 (2001)


Article DOI: 10.1021/jm001040g
BindingDB Entry DOI: 10.7270/Q2JQ13R9
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50473525
PNG
(CHEMBL167644)
Show SMILES C(C1CN=CN1)c1cc2ccccc2o1 |c:3|
Show InChI InChI=1S/C12H12N2O/c1-2-4-12-9(3-1)5-11(15-12)6-10-7-13-8-14-10/h1-5,8,10H,6-7H2,(H,13,14)
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20n/an/an/an/an/an/an/an/a



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Curated by PDSP Ki Database


Assay Description
Binding affinity for human alpha-2 adrenergic receptor expressed in CHO cell


J Med Chem 44: 787-805 (2001)


Article DOI: 10.1021/jm001040g
BindingDB Entry DOI: 10.7270/Q2JQ13R9
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50473527
PNG
(CHEMBL353910)
Show SMILES [H][C@]12CC[C@@]3(CN=CN3)C[C@]1([H])Cc1ccccc1C2 |c:6|
Show InChI InChI=1S/C16H20N2/c1-2-4-13-8-15-9-16(10-17-11-18-16)6-5-14(15)7-12(13)3-1/h1-4,11,14-15H,5-10H2,(H,17,18)/t14-,15+,16+/m1/s1
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25n/an/an/an/an/an/an/an/a



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Curated by PDSP Ki Database


Assay Description
In vitro binding affinity was determined against serotonin reuptake site of rat in presence of [3H]paroxetine radioligand


J Med Chem 44: 787-805 (2001)


Article DOI: 10.1021/jm001040g
BindingDB Entry DOI: 10.7270/Q2JQ13R9
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50473535
PNG
(CHEMBL165467)
Show SMILES [H][C@@]1(CN=CN1)C1C[C@@]11CCc2ccccc2C1 |c:3|
Show InChI InChI=1S/C15H18N2/c1-2-4-12-7-15(6-5-11(12)3-1)8-13(15)14-9-16-10-17-14/h1-4,10,13-14H,5-9H2,(H,16,17)/t13?,14-,15+/m1/s1
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Curated by PDSP Ki Database


Assay Description
In vitro binding affinity was determined against serotonin reuptake site of rat in presence of [3H]paroxetine radioligand


J Med Chem 44: 787-805 (2001)


Article DOI: 10.1021/jm001040g
BindingDB Entry DOI: 10.7270/Q2JQ13R9
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50473554
PNG
(CHEMBL168168)
Show SMILES Clc1cccc2ccc(CC3CN=CN3)cc12 |c:12|
Show InChI InChI=1S/C14H13ClN2/c15-14-3-1-2-11-5-4-10(7-13(11)14)6-12-8-16-9-17-12/h1-5,7,9,12H,6,8H2,(H,16,17)
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25n/an/an/an/an/an/an/an/a



Institut de Recherches Servier

Curated by PDSP Ki Database


Assay Description
Binding affinity for human alpha-2 adrenergic receptor expressed in CHO cell


J Med Chem 44: 787-805 (2001)


Article DOI: 10.1021/jm001040g
BindingDB Entry DOI: 10.7270/Q2JQ13R9
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus)
BDBM50473531
PNG
(CHEMBL168022)
Show SMILES Cc1cc2CC(CC3CN=CN3)Cc2cc1C |c:9|
Show InChI InChI=1S/C15H20N2/c1-10-3-13-5-12(6-14(13)4-11(10)2)7-15-8-16-9-17-15/h3-4,9,12,15H,5-8H2,1-2H3,(H,16,17)
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25n/an/an/an/an/an/an/an/a



Institut de Recherches Servier

Curated by PDSP Ki Database


Assay Description
In vitro binding affinity was determined against NA (noradrenaline) reuptake site of rat in presence of [3H]nisoxetine radioligand


J Med Chem 44: 787-805 (2001)


Article DOI: 10.1021/jm001040g
BindingDB Entry DOI: 10.7270/Q2JQ13R9
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50131357
PNG
(4-(5-Fluoro-indan-2-ylmethyl)-4,5-dihydro-1H-imida...)
Show SMILES Fc1ccc2CC(CC3CNC=N3)Cc2c1 |c:11|
Show InChI InChI=1S/C13H15FN2/c14-12-2-1-10-3-9(4-11(10)6-12)5-13-7-15-8-16-13/h1-2,6,8-9,13H,3-5,7H2,(H,15,16)
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25n/an/an/an/an/an/an/an/a



Institut de Recherches Servier

Curated by PDSP Ki Database


Assay Description
In vitro binding affinity was determined against serotonin reuptake site of rat in presence of [3H]paroxetine radioligand


J Med Chem 44: 787-805 (2001)


Article DOI: 10.1021/jm001040g
BindingDB Entry DOI: 10.7270/Q2JQ13R9
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor [16-465]/Alpha-2B adrenergic receptor/Alpha-2C adrenergic receptor


(RAT-NEONATAL RAT-Rattus norvegicus (rat))
BDBM50473563
PNG
(CHEMBL352636)
Show SMILES COc1cccc2CCC(CC3CN=CN3)=Cc12 |c:13,16|
Show InChI InChI=1S/C15H18N2O/c1-18-15-4-2-3-12-6-5-11(8-14(12)15)7-13-9-16-10-17-13/h2-4,8,10,13H,5-7,9H2,1H3,(H,16,17)
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25n/an/an/an/an/an/an/an/a



Institut de Recherches Servier

Curated by PDSP Ki Database


Assay Description
In vitro binding affinity against alpha-2 adrenergic receptor of rat in presence of [3H]-RX 821002 radioligand


J Med Chem 44: 787-805 (2001)


Article DOI: 10.1021/jm001040g
BindingDB Entry DOI: 10.7270/Q2JQ13R9
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor [16-465]/Alpha-2B adrenergic receptor/Alpha-2C adrenergic receptor


(RAT-NEONATAL RAT-Rattus norvegicus (rat))
BDBM50473553
PNG
(CHEMBL353200)
Show SMILES Clc1cccc2CCC(CC3CN=CN3)=Cc12 |c:12,15|
Show InChI InChI=1S/C14H15ClN2/c15-14-3-1-2-11-5-4-10(7-13(11)14)6-12-8-16-9-17-12/h1-3,7,9,12H,4-6,8H2,(H,16,17)
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25n/an/an/an/an/an/an/an/a



Institut de Recherches Servier

Curated by PDSP Ki Database


Assay Description
In vitro binding affinity against alpha-2 adrenergic receptor of rat in presence of [3H]-RX 821002 radioligand


J Med Chem 44: 787-805 (2001)


Article DOI: 10.1021/jm001040g
BindingDB Entry DOI: 10.7270/Q2JQ13R9
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor [16-465]/Alpha-2B adrenergic receptor/Alpha-2C adrenergic receptor


(RAT-NEONATAL RAT-Rattus norvegicus (rat))
BDBM50473531
PNG
(CHEMBL168022)
Show SMILES Cc1cc2CC(CC3CN=CN3)Cc2cc1C |c:9|
Show InChI InChI=1S/C15H20N2/c1-10-3-13-5-12(6-14(13)4-11(10)2)7-15-8-16-9-17-15/h3-4,9,12,15H,5-8H2,1-2H3,(H,16,17)
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25n/an/an/an/an/an/an/an/a



Institut de Recherches Servier

Curated by PDSP Ki Database


Assay Description
In vitro binding affinity against alpha-2 adrenergic receptor of rat in presence of [3H]-RX 821002 radioligand


J Med Chem 44: 787-805 (2001)


Article DOI: 10.1021/jm001040g
BindingDB Entry DOI: 10.7270/Q2JQ13R9
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor [16-465]/Alpha-2B adrenergic receptor/Alpha-2C adrenergic receptor


(RAT-NEONATAL RAT-Rattus norvegicus (rat))
BDBM50473554
PNG
(CHEMBL168168)
Show SMILES Clc1cccc2ccc(CC3CN=CN3)cc12 |c:12|
Show InChI InChI=1S/C14H13ClN2/c15-14-3-1-2-11-5-4-10(7-13(11)14)6-12-8-16-9-17-12/h1-5,7,9,12H,6,8H2,(H,16,17)
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32n/an/an/an/an/an/an/an/a



Institut de Recherches Servier

Curated by PDSP Ki Database


Assay Description
In vitro binding affinity against alpha-2 adrenergic receptor of rat in presence of [3H]-RX 821002 radioligand


J Med Chem 44: 787-805 (2001)


Article DOI: 10.1021/jm001040g
BindingDB Entry DOI: 10.7270/Q2JQ13R9
More data for this
Ligand-Target Pair
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