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Compile Data Set for Download or QSAR

Found 415 hits with Last Name = 'vacher' and Initial = 'b'   
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
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50472582
PNG
(CHEMBL45422)
Show SMILES CNc1nc(CNCC2(F)CCN(CC2)C(=O)c2ccc(F)c(Cl)c2)ccc1C
Show InChI InChI=1S/C21H25ClF2N4O/c1-14-3-5-16(27-19(14)25-2)12-26-13-21(24)7-9-28(10-8-21)20(29)15-4-6-18(23)17(22)11-15/h3-6,11,26H,7-10,12-13H2,1-2H3,(H,25,27)
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0.0759n/an/an/an/an/an/an/an/a



Pierre Fabre Research Center

Curated by ChEMBL


Assay Description
Binding affinity towards 5-hydroxytryptamine 1A receptor in rat cortex using [3H]8-OH-DPAT as a radioligand


J Med Chem 42: 1648-60 (1999)


Article DOI: 10.1021/jm9806906
BindingDB Entry DOI: 10.7270/Q2MS3WHR
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50417006
PNG
(CHEMBL1256414)
Show SMILES C1[C@@H]2c3ccccc3C[C@]12c1cnc[nH]1 |r|
Show InChI InChI=1S/C13H12N2/c1-2-4-10-9(3-1)5-13(6-11(10)13)12-7-14-8-15-12/h1-4,7-8,11H,5-6H2,(H,14,15)/t11-,13+/m1/s1
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0.0790n/an/an/an/an/an/an/an/a



Pierre Fabre Research Center

Curated by ChEMBL


Assay Description
Displacement of [3H]-RX821002 from human adrenergic alpha2A receptor expressed in rat C6 cells after 120 mins by liquid scintillation counting


J Med Chem 53: 6986-95 (2010)


Article DOI: 10.1021/jm1006269
BindingDB Entry DOI: 10.7270/Q2T154X2
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50472578
PNG
(CHEMBL42766)
Show SMILES CN(C)c1cccc(CNCC2(F)CCN(CC2)C(=O)c2cccc(Cl)c2)n1
Show InChI InChI=1S/C21H26ClFN4O/c1-26(2)19-8-4-7-18(25-19)14-24-15-21(23)9-11-27(12-10-21)20(28)16-5-3-6-17(22)13-16/h3-8,13,24H,9-12,14-15H2,1-2H3
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0.0977n/an/an/an/an/an/an/an/a



Pierre Fabre Research Center

Curated by ChEMBL


Assay Description
Binding affinity towards 5-hydroxytryptamine 1A receptor in rat cortex using [3H]8-OH-DPAT as a radioligand


J Med Chem 42: 1648-60 (1999)


Article DOI: 10.1021/jm9806906
BindingDB Entry DOI: 10.7270/Q2MS3WHR
More data for this
Ligand-Target Pair
Alpha-2B adrenergic receptor


(Homo sapiens (Human))
BDBM50417006
PNG
(CHEMBL1256414)
Show SMILES C1[C@@H]2c3ccccc3C[C@]12c1cnc[nH]1 |r|
Show InChI InChI=1S/C13H12N2/c1-2-4-10-9(3-1)5-13(6-11(10)13)12-7-14-8-15-12/h1-4,7-8,11H,5-6H2,(H,14,15)/t11-,13+/m1/s1
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0.110n/an/an/an/an/an/an/an/a



Pierre Fabre Research Center

Curated by ChEMBL


Assay Description
Displacement of [3H]-RX821002 from human adrenergic alpha2B receptor expressed in rat C6 cells after 120 mins by liquid scintillation counting


J Med Chem 53: 6986-95 (2010)


Article DOI: 10.1021/jm1006269
BindingDB Entry DOI: 10.7270/Q2T154X2
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50472566
PNG
(CHEMBL360319)
Show SMILES CN(C)c1cccc(CNCC2(F)CCN(CC2)C(=O)c2ccc(F)c(Cl)c2)n1
Show InChI InChI=1S/C21H25ClF2N4O/c1-27(2)19-5-3-4-16(26-19)13-25-14-21(24)8-10-28(11-9-21)20(29)15-6-7-18(23)17(22)12-15/h3-7,12,25H,8-11,13-14H2,1-2H3
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0.120n/an/an/an/an/an/an/an/a



Pierre Fabre Research Center

Curated by ChEMBL


Assay Description
Binding affinity towards 5-hydroxytryptamine 1A receptor in rat cortex using [3H]8-OH-DPAT as a radioligand


J Med Chem 42: 1648-60 (1999)


Article DOI: 10.1021/jm9806906
BindingDB Entry DOI: 10.7270/Q2MS3WHR
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50417006
PNG
(CHEMBL1256414)
Show SMILES C1[C@@H]2c3ccccc3C[C@]12c1cnc[nH]1 |r|
Show InChI InChI=1S/C13H12N2/c1-2-4-10-9(3-1)5-13(6-11(10)13)12-7-14-8-15-12/h1-4,7-8,11H,5-6H2,(H,14,15)/t11-,13+/m1/s1
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0.129n/an/an/an/an/an/an/an/a



Pierre Fabre Research Center

Curated by ChEMBL


Assay Description
Displacement of [3H]-RX821002 from human adrenergic Alpha-2C receptor expressed in rat C6 cells after 120 mins by liquid scintillation counting


J Med Chem 53: 6986-95 (2010)


Article DOI: 10.1021/jm1006269
BindingDB Entry DOI: 10.7270/Q2T154X2
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50417010
PNG
(CHEMBL1255723)
Show SMILES CC[C@H]1[C@@H]2c3ccccc3C[C@]12c1cnc[nH]1 |r|
Show InChI InChI=1S/C15H16N2/c1-2-12-14-11-6-4-3-5-10(11)7-15(12,14)13-8-16-9-17-13/h3-6,8-9,12,14H,2,7H2,1H3,(H,16,17)/t12-,14-,15+/m0/s1
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0.138n/an/an/an/an/an/an/an/a



Pierre Fabre Research Center

Curated by ChEMBL


Assay Description
Displacement of [3H]-RX821002 from human adrenergic alpha2A receptor expressed in rat C6 cells after 120 mins by liquid scintillation counting


J Med Chem 53: 6986-95 (2010)


Article DOI: 10.1021/jm1006269
BindingDB Entry DOI: 10.7270/Q2T154X2
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50472570
PNG
(CHEMBL46984)
Show SMILES CCNc1nc(CNCC2(F)CCN(CC2)C(=O)c2ccc(F)c(Cl)c2)ccc1C
Show InChI InChI=1S/C22H27ClF2N4O/c1-3-27-20-15(2)4-6-17(28-20)13-26-14-22(25)8-10-29(11-9-22)21(30)16-5-7-19(24)18(23)12-16/h4-7,12,26H,3,8-11,13-14H2,1-2H3,(H,27,28)
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0.148n/an/an/an/an/an/an/an/a



Pierre Fabre Research Center

Curated by ChEMBL


Assay Description
Binding affinity towards 5-hydroxytryptamine 1A receptor in rat cortex using [3H]8-OH-DPAT as a radioligand


J Med Chem 42: 1648-60 (1999)


Article DOI: 10.1021/jm9806906
BindingDB Entry DOI: 10.7270/Q2MS3WHR
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50417010
PNG
(CHEMBL1255723)
Show SMILES CC[C@H]1[C@@H]2c3ccccc3C[C@]12c1cnc[nH]1 |r|
Show InChI InChI=1S/C15H16N2/c1-2-12-14-11-6-4-3-5-10(11)7-15(12,14)13-8-16-9-17-13/h3-6,8-9,12,14H,2,7H2,1H3,(H,16,17)/t12-,14-,15+/m0/s1
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0.170n/an/an/an/an/an/an/an/a



Pierre Fabre Research Center

Curated by ChEMBL


Assay Description
Displacement of [3H]-RX821002 from human adrenergic Alpha-2C receptor expressed in rat C6 cells after 120 mins by liquid scintillation counting


J Med Chem 53: 6986-95 (2010)


Article DOI: 10.1021/jm1006269
BindingDB Entry DOI: 10.7270/Q2T154X2
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50417019
PNG
(CHEMBL1256378)
Show SMILES C[C@H]1[C@@H]2c3ccccc3C[C@]12c1cnc[nH]1 |r|
Show InChI InChI=1S/C14H14N2/c1-9-13-11-5-3-2-4-10(11)6-14(9,13)12-7-15-8-16-12/h2-5,7-9,13H,6H2,1H3,(H,15,16)/t9-,13+,14+/m0/s1
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0.174n/an/an/an/an/an/an/an/a



Pierre Fabre Research Center

Curated by ChEMBL


Assay Description
Displacement of [3H]-RX821002 from human adrenergic alpha2A receptor expressed in rat C6 cells after 120 mins by liquid scintillation counting


J Med Chem 53: 6986-95 (2010)


Article DOI: 10.1021/jm1006269
BindingDB Entry DOI: 10.7270/Q2T154X2
More data for this
Ligand-Target Pair
Alpha-2B adrenergic receptor


(Homo sapiens (Human))
BDBM50417010
PNG
(CHEMBL1255723)
Show SMILES CC[C@H]1[C@@H]2c3ccccc3C[C@]12c1cnc[nH]1 |r|
Show InChI InChI=1S/C15H16N2/c1-2-12-14-11-6-4-3-5-10(11)7-15(12,14)13-8-16-9-17-13/h3-6,8-9,12,14H,2,7H2,1H3,(H,16,17)/t12-,14-,15+/m0/s1
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0.182n/an/an/an/an/an/an/an/a



Pierre Fabre Research Center

Curated by ChEMBL


Assay Description
Displacement of [3H]-RX821002 from human adrenergic alpha2B receptor expressed in rat C6 cells after 120 mins by liquid scintillation counting


J Med Chem 53: 6986-95 (2010)


Article DOI: 10.1021/jm1006269
BindingDB Entry DOI: 10.7270/Q2T154X2
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50472567
PNG
(CHEMBL288992)
Show SMILES CCNc1cccc(CNCC2(F)CCN(CC2)C(=O)c2ccc(F)c(Cl)c2)n1
Show InChI InChI=1S/C21H25ClF2N4O/c1-2-26-19-5-3-4-16(27-19)13-25-14-21(24)8-10-28(11-9-21)20(29)15-6-7-18(23)17(22)12-15/h3-7,12,25H,2,8-11,13-14H2,1H3,(H,26,27)
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0.186n/an/an/an/an/an/an/an/a



Pierre Fabre Research Center

Curated by ChEMBL


Assay Description
Binding affinity towards 5-hydroxytryptamine 1A receptor in rat cortex using [3H]8-OH-DPAT as a radioligand


J Med Chem 42: 1648-60 (1999)


Article DOI: 10.1021/jm9806906
BindingDB Entry DOI: 10.7270/Q2MS3WHR
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50476127
PNG
(CHEMBL218217)
Show SMILES CC(C)Oc1ccccc1OCCNCc1cccc(c1)-c1ccccc1
Show InChI InChI=1S/C24H27NO2/c1-19(2)27-24-14-7-6-13-23(24)26-16-15-25-18-20-9-8-12-22(17-20)21-10-4-3-5-11-21/h3-14,17,19,25H,15-16,18H2,1-2H3
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0.195n/an/an/an/an/an/an/an/a



Pierre Fabre Research Center

Curated by ChEMBL


Assay Description
Displacement of [3H]YM-09151-2 from rat striatum D2 receptor


J Med Chem 50: 865-76 (2007)


Article DOI: 10.1021/jm061180b
BindingDB Entry DOI: 10.7270/Q2ZS309D
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50472599
PNG
(CHEMBL45423)
Show SMILES FC1(CNCc2cccc(n2)N2CCC2)CCN(CC1)C(=O)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C22H25Cl2FN4O/c23-18-6-5-16(13-19(18)24)21(30)29-11-7-22(25,8-12-29)15-26-14-17-3-1-4-20(27-17)28-9-2-10-28/h1,3-6,13,26H,2,7-12,14-15H2
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0.200n/an/an/an/an/an/an/an/a



Pierre Fabre Research Center

Curated by ChEMBL


Assay Description
Binding affinity towards 5-hydroxytryptamine 1A receptor in rat cortex using [3H]8-OH-DPAT as a radioligand


J Med Chem 42: 1648-60 (1999)


Article DOI: 10.1021/jm9806906
BindingDB Entry DOI: 10.7270/Q2MS3WHR
More data for this
Ligand-Target Pair
Alpha-2B adrenergic receptor


(Homo sapiens (Human))
BDBM50417019
PNG
(CHEMBL1256378)
Show SMILES C[C@H]1[C@@H]2c3ccccc3C[C@]12c1cnc[nH]1 |r|
Show InChI InChI=1S/C14H14N2/c1-9-13-11-5-3-2-4-10(11)6-14(9,13)12-7-15-8-16-12/h2-5,7-9,13H,6H2,1H3,(H,15,16)/t9-,13+,14+/m0/s1
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0.204n/an/an/an/an/an/an/an/a



Pierre Fabre Research Center

Curated by ChEMBL


Assay Description
Displacement of [3H]-RX821002 from human adrenergic alpha2B receptor expressed in rat C6 cells after 120 mins by liquid scintillation counting


J Med Chem 53: 6986-95 (2010)


Article DOI: 10.1021/jm1006269
BindingDB Entry DOI: 10.7270/Q2T154X2
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50472587
PNG
(CHEMBL45334)
Show SMILES CNc1cccc(CNCC2(F)CCN(CC2)C(=O)c2ccc(F)c(Cl)c2)n1
Show InChI InChI=1S/C20H23ClF2N4O/c1-24-18-4-2-3-15(26-18)12-25-13-20(23)7-9-27(10-8-20)19(28)14-5-6-17(22)16(21)11-14/h2-6,11,25H,7-10,12-13H2,1H3,(H,24,26)
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0.204n/an/an/an/an/an/an/an/a



Pierre Fabre Research Center

Curated by ChEMBL


Assay Description
Binding affinity towards 5-hydroxytryptamine 1A receptor in rat cortex using [3H]8-OH-DPAT as a radioligand


J Med Chem 42: 1648-60 (1999)


Article DOI: 10.1021/jm9806906
BindingDB Entry DOI: 10.7270/Q2MS3WHR
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50472589
PNG
(CHEMBL44118)
Show SMILES CNc1cccc(CNCC2(F)CCN(CC2)C(=O)c2ccc(Cl)c(Cl)c2)n1
Show InChI InChI=1S/C20H23Cl2FN4O/c1-24-18-4-2-3-15(26-18)12-25-13-20(23)7-9-27(10-8-20)19(28)14-5-6-16(21)17(22)11-14/h2-6,11,25H,7-10,12-13H2,1H3,(H,24,26)
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0.214n/an/an/an/an/an/an/an/a



Pierre Fabre Research Center

Curated by ChEMBL


Assay Description
Binding affinity towards 5-hydroxytryptamine 1A receptor in rat cortex using [3H]8-OH-DPAT as a radioligand


J Med Chem 42: 1648-60 (1999)


Article DOI: 10.1021/jm9806906
BindingDB Entry DOI: 10.7270/Q2MS3WHR
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50417020
PNG
(CHEMBL1256609)
Show SMILES C[C@H]1c2ccccc2[C@H]2C[C@@]12c1cnc[nH]1 |r|
Show InChI InChI=1S/C14H14N2/c1-9-10-4-2-3-5-11(10)12-6-14(9,12)13-7-15-8-16-13/h2-5,7-9,12H,6H2,1H3,(H,15,16)/t9-,12+,14+/m0/s1
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0.219n/an/an/an/an/an/an/an/a



Pierre Fabre Research Center

Curated by ChEMBL


Assay Description
Displacement of [3H]-RX821002 from human adrenergic alpha2A receptor expressed in rat C6 cells after 120 mins by liquid scintillation counting


J Med Chem 53: 6986-95 (2010)


Article DOI: 10.1021/jm1006269
BindingDB Entry DOI: 10.7270/Q2T154X2
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50472579
PNG
(CHEMBL46971)
Show SMILES CN(C)c1cccc(CNCC2(F)CCN(CC2)C(=O)c2ccc(Cl)c(Cl)c2)n1
Show InChI InChI=1S/C21H25Cl2FN4O/c1-27(2)19-5-3-4-16(26-19)13-25-14-21(24)8-10-28(11-9-21)20(29)15-6-7-17(22)18(23)12-15/h3-7,12,25H,8-11,13-14H2,1-2H3
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0.245n/an/an/an/an/an/an/an/a



Pierre Fabre Research Center

Curated by ChEMBL


Assay Description
Binding affinity towards 5-hydroxytryptamine 1A receptor in rat cortex using [3H]8-OH-DPAT as a radioligand


J Med Chem 42: 1648-60 (1999)


Article DOI: 10.1021/jm9806906
BindingDB Entry DOI: 10.7270/Q2MS3WHR
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50472595
PNG
(CHEMBL295662)
Show SMILES CN(C)c1cccc(CNCC2(F)CCN(CC2)C(=O)c2ccc(C)c(Cl)c2)n1
Show InChI InChI=1S/C22H28ClFN4O/c1-16-7-8-17(13-19(16)23)21(29)28-11-9-22(24,10-12-28)15-25-14-18-5-4-6-20(26-18)27(2)3/h4-8,13,25H,9-12,14-15H2,1-3H3
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0.269n/an/an/an/an/an/an/an/a



Pierre Fabre Research Center

Curated by ChEMBL


Assay Description
Binding affinity towards 5-hydroxytryptamine 1A receptor in rat cortex using [3H]8-OH-DPAT as a radioligand


J Med Chem 42: 1648-60 (1999)


Article DOI: 10.1021/jm9806906
BindingDB Entry DOI: 10.7270/Q2MS3WHR
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50476119
PNG
(CHEMBL386988)
Show SMILES CC(C)Oc1ccccc1OCCNCc1cccc(c1)-c1ccsc1
Show InChI InChI=1S/C22H25NO2S/c1-17(2)25-22-9-4-3-8-21(22)24-12-11-23-15-18-6-5-7-19(14-18)20-10-13-26-16-20/h3-10,13-14,16-17,23H,11-12,15H2,1-2H3
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0.275n/an/an/an/an/an/an/an/a



Pierre Fabre Research Center

Curated by ChEMBL


Assay Description
Displacement of [3H]YM-09151-2 from rat striatum D2 receptor


J Med Chem 50: 865-76 (2007)


Article DOI: 10.1021/jm061180b
BindingDB Entry DOI: 10.7270/Q2ZS309D
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50476128
PNG
(CHEMBL384657)
Show SMILES CC1(C)Cc2cccc(OCCNCc3cncc(c3)C3=CCCC3)c2O1 |t:21|
Show InChI InChI=1S/C23H28N2O2/c1-23(2)13-19-8-5-9-21(22(19)27-23)26-11-10-24-14-17-12-20(16-25-15-17)18-6-3-4-7-18/h5-6,8-9,12,15-16,24H,3-4,7,10-11,13-14H2,1-2H3
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0.275n/an/an/an/an/an/an/an/a



Pierre Fabre Research Center

Curated by ChEMBL


Assay Description
Displacement of [3H]YM-09151-2 from rat striatum D2 receptor


J Med Chem 50: 865-76 (2007)


Article DOI: 10.1021/jm061180b
BindingDB Entry DOI: 10.7270/Q2ZS309D
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50472568
PNG
(CHEMBL42393)
Show SMILES Fc1ccc(cc1Cl)C(=O)N1CCC(F)(CNCc2cccc(n2)-c2ccco2)CC1
Show InChI InChI=1S/C23H22ClF2N3O2/c24-18-13-16(6-7-19(18)25)22(30)29-10-8-23(26,9-11-29)15-27-14-17-3-1-4-20(28-17)21-5-2-12-31-21/h1-7,12-13,27H,8-11,14-15H2
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0.282n/an/an/an/an/an/an/an/a



Pierre Fabre Research Center

Curated by ChEMBL


Assay Description
Binding affinity towards 5-hydroxytryptamine 1A receptor in rat cortex using [3H]8-OH-DPAT as a radioligand


J Med Chem 42: 1648-60 (1999)


Article DOI: 10.1021/jm9806906
BindingDB Entry DOI: 10.7270/Q2MS3WHR
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50417019
PNG
(CHEMBL1256378)
Show SMILES C[C@H]1[C@@H]2c3ccccc3C[C@]12c1cnc[nH]1 |r|
Show InChI InChI=1S/C14H14N2/c1-9-13-11-5-3-2-4-10(11)6-14(9,13)12-7-15-8-16-12/h2-5,7-9,13H,6H2,1H3,(H,15,16)/t9-,13+,14+/m0/s1
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0.295n/an/an/an/an/an/an/an/a



Pierre Fabre Research Center

Curated by ChEMBL


Assay Description
Displacement of [3H]-RX821002 from human adrenergic Alpha-2C receptor expressed in rat C6 cells after 120 mins by liquid scintillation counting


J Med Chem 53: 6986-95 (2010)


Article DOI: 10.1021/jm1006269
BindingDB Entry DOI: 10.7270/Q2T154X2
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50472596
PNG
(CHEMBL46582)
Show SMILES FC1(CNCc2cccc(n2)-c2cc[nH]n2)CCN(CC1)C(=O)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C22H22Cl2FN5O/c23-17-5-4-15(12-18(17)24)21(31)30-10-7-22(25,8-11-30)14-26-13-16-2-1-3-19(28-16)20-6-9-27-29-20/h1-6,9,12,26H,7-8,10-11,13-14H2,(H,27,29)
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0.302n/an/an/an/an/an/an/an/a



Pierre Fabre Research Center

Curated by ChEMBL


Assay Description
Binding affinity towards 5-hydroxytryptamine 1A receptor in rat cortex using [3H]8-OH-DPAT as a radioligand


J Med Chem 42: 1648-60 (1999)


Article DOI: 10.1021/jm9806906
BindingDB Entry DOI: 10.7270/Q2MS3WHR
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50472602
PNG
(CHEMBL45336)
Show SMILES CN(C)c1nc(CNCC2(F)CCN(CC2)C(=O)c2ccc(F)c(Cl)c2)ccc1C
Show InChI InChI=1S/C22H27ClF2N4O/c1-15-4-6-17(27-20(15)28(2)3)13-26-14-22(25)8-10-29(11-9-22)21(30)16-5-7-19(24)18(23)12-16/h4-7,12,26H,8-11,13-14H2,1-3H3
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0.316n/an/an/an/an/an/an/an/a



Pierre Fabre Research Center

Curated by ChEMBL


Assay Description
Binding affinity towards 5-hydroxytryptamine 1A receptor in rat cortex using [3H]8-OH-DPAT as a radioligand


J Med Chem 42: 1648-60 (1999)


Article DOI: 10.1021/jm9806906
BindingDB Entry DOI: 10.7270/Q2MS3WHR
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50476125
PNG
(CHEMBL376634)
Show SMILES CC(C)Oc1ccccc1OCCNCc1cccc(c1)-c1ccco1
Show InChI InChI=1S/C22H25NO3/c1-17(2)26-22-10-4-3-9-21(22)25-14-12-23-16-18-7-5-8-19(15-18)20-11-6-13-24-20/h3-11,13,15,17,23H,12,14,16H2,1-2H3
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0.339n/an/an/an/an/an/an/an/a



Pierre Fabre Research Center

Curated by ChEMBL


Assay Description
Displacement of [3H]YM-09151-2 from rat striatum D2 receptor


J Med Chem 50: 865-76 (2007)


Article DOI: 10.1021/jm061180b
BindingDB Entry DOI: 10.7270/Q2ZS309D
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50472119
PNG
(CHEMBL46467)
Show SMILES Clc1ccc(cc1Cl)C(=O)N1CCC(CNCc2cccc(n2)-c2nccs2)CC1
Show InChI InChI=1S/C22H22Cl2N4OS/c23-18-5-4-16(12-19(18)24)22(29)28-9-6-15(7-10-28)13-25-14-17-2-1-3-20(27-17)21-26-8-11-30-21/h1-5,8,11-12,15,25H,6-7,9-10,13-14H2
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0.347n/an/an/an/an/an/an/an/a



Pierre Fabre Research Center

Curated by ChEMBL


Assay Description
Binding affinity towards 5-hydroxytryptamine 1A receptor in rat cortex using [3H]8-OH-DPAT as a radioligand


J Med Chem 42: 1648-60 (1999)


Article DOI: 10.1021/jm9806906
BindingDB Entry DOI: 10.7270/Q2MS3WHR
More data for this
Ligand-Target Pair
Alpha-2B adrenergic receptor


(Homo sapiens (Human))
BDBM50417009
PNG
(CHEMBL1255724)
Show SMILES CCC[C@H]1[C@@H]2c3ccccc3C[C@]12c1cnc[nH]1 |r|
Show InChI InChI=1S/C16H18N2/c1-2-5-13-15-12-7-4-3-6-11(12)8-16(13,15)14-9-17-10-18-14/h3-4,6-7,9-10,13,15H,2,5,8H2,1H3,(H,17,18)/t13-,15-,16+/m0/s1
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0.347n/an/an/an/an/an/an/an/a



Pierre Fabre Research Center

Curated by ChEMBL


Assay Description
Displacement of [3H]-RX821002 from human adrenergic alpha2B receptor expressed in rat C6 cells after 120 mins by liquid scintillation counting


J Med Chem 53: 6986-95 (2010)


Article DOI: 10.1021/jm1006269
BindingDB Entry DOI: 10.7270/Q2T154X2
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50472119
PNG
(CHEMBL46467)
Show SMILES Clc1ccc(cc1Cl)C(=O)N1CCC(CNCc2cccc(n2)-c2nccs2)CC1
Show InChI InChI=1S/C22H22Cl2N4OS/c23-18-5-4-16(12-19(18)24)22(29)28-9-6-15(7-10-28)13-25-14-17-2-1-3-20(27-17)21-26-8-11-30-21/h1-5,8,11-12,15,25H,6-7,9-10,13-14H2
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0.347n/an/an/an/an/an/an/an/a



Pierre Fabre Research Center

Curated by ChEMBL


Assay Description
Binding affinity for rat cortex 5-hydroxytryptamine 1A receptor, by displacement of 0.2 nM [3H]8-OH-DPAT radioligand


J Med Chem 41: 5070-83 (1998)


Article DOI: 10.1021/jm9804329
BindingDB Entry DOI: 10.7270/Q28P6383
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50472057
PNG
(CHEMBL298260)
Show SMILES Clc1ccc(cc1Cl)C(=O)N1CCC(CNCc2cccc(n2)N2CCC2)CC1
Show InChI InChI=1S/C22H26Cl2N4O/c23-19-6-5-17(13-20(19)24)22(29)28-11-7-16(8-12-28)14-25-15-18-3-1-4-21(26-18)27-9-2-10-27/h1,3-6,13,16,25H,2,7-12,14-15H2
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0.372n/an/an/an/an/an/an/an/a



Pierre Fabre Research Center

Curated by ChEMBL


Assay Description
Binding affinity for rat cortex 5-hydroxytryptamine 1A receptor, by displacement of 0.2 nM [3H]8-OH-DPAT radioligand


J Med Chem 41: 5070-83 (1998)


Article DOI: 10.1021/jm9804329
BindingDB Entry DOI: 10.7270/Q28P6383
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50472057
PNG
(CHEMBL298260)
Show SMILES Clc1ccc(cc1Cl)C(=O)N1CCC(CNCc2cccc(n2)N2CCC2)CC1
Show InChI InChI=1S/C22H26Cl2N4O/c23-19-6-5-17(13-20(19)24)22(29)28-11-7-16(8-12-28)14-25-15-18-3-1-4-21(26-18)27-9-2-10-27/h1,3-6,13,16,25H,2,7-12,14-15H2
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0.372n/an/an/an/an/an/an/an/a



Pierre Fabre Research Center

Curated by ChEMBL


Assay Description
Binding affinity towards 5-hydroxytryptamine 1A receptor in rat cortex using [3H]8-OH-DPAT as a radioligand


J Med Chem 42: 1648-60 (1999)


Article DOI: 10.1021/jm9806906
BindingDB Entry DOI: 10.7270/Q2MS3WHR
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50417009
PNG
(CHEMBL1255724)
Show SMILES CCC[C@H]1[C@@H]2c3ccccc3C[C@]12c1cnc[nH]1 |r|
Show InChI InChI=1S/C16H18N2/c1-2-5-13-15-12-7-4-3-6-11(12)8-16(13,15)14-9-17-10-18-14/h3-4,6-7,9-10,13,15H,2,5,8H2,1H3,(H,17,18)/t13-,15-,16+/m0/s1
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0.407n/an/an/an/an/an/an/an/a



Pierre Fabre Research Center

Curated by ChEMBL


Assay Description
Displacement of [3H]-RX821002 from human adrenergic alpha2A receptor expressed in rat C6 cells after 120 mins by liquid scintillation counting


J Med Chem 53: 6986-95 (2010)


Article DOI: 10.1021/jm1006269
BindingDB Entry DOI: 10.7270/Q2T154X2
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50476132
PNG
(CHEMBL218261)
Show SMILES CC1(C)Cc2cccc(OCCNCc3cccc(c3)C3=CCCC3)c2O1 |t:21|
Show InChI InChI=1S/C24H29NO2/c1-24(2)16-21-11-6-12-22(23(21)27-24)26-14-13-25-17-18-7-5-10-20(15-18)19-8-3-4-9-19/h5-8,10-12,15,25H,3-4,9,13-14,16-17H2,1-2H3
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0.417n/an/an/an/an/an/an/an/a



Pierre Fabre Research Center

Curated by ChEMBL


Assay Description
Displacement of [3H]YM-09151-2 from rat striatum D2 receptor


J Med Chem 50: 865-76 (2007)


Article DOI: 10.1021/jm061180b
BindingDB Entry DOI: 10.7270/Q2ZS309D
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50476730
PNG
(CHEMBL231471)
Show SMILES Fc1ccc(cc1Cl)C(=O)N1CCC(F)(CNCc2nccc(n2)-c2ccco2)CC1
Show InChI InChI=1S/C22H21ClF2N4O2/c23-16-12-15(3-4-17(16)24)21(30)29-9-6-22(25,7-10-29)14-26-13-20-27-8-5-18(28-20)19-2-1-11-31-19/h1-5,8,11-12,26H,6-7,9-10,13-14H2
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0.427n/an/an/an/an/an/an/an/a



Pierre Fabre Research Center

Curated by ChEMBL


Assay Description
Binding affinity to 5HT1A receptor in rat cortex membrane


J Med Chem 50: 5024-33 (2007)


Article DOI: 10.1021/jm070714l
BindingDB Entry DOI: 10.7270/Q2HH6NTB
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50417009
PNG
(CHEMBL1255724)
Show SMILES CCC[C@H]1[C@@H]2c3ccccc3C[C@]12c1cnc[nH]1 |r|
Show InChI InChI=1S/C16H18N2/c1-2-5-13-15-12-7-4-3-6-11(12)8-16(13,15)14-9-17-10-18-14/h3-4,6-7,9-10,13,15H,2,5,8H2,1H3,(H,17,18)/t13-,15-,16+/m0/s1
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0.437n/an/an/an/an/an/an/an/a



Pierre Fabre Research Center

Curated by ChEMBL


Assay Description
Displacement of [3H]-RX821002 from human adrenergic Alpha-2C receptor expressed in rat C6 cells after 120 mins by liquid scintillation counting


J Med Chem 53: 6986-95 (2010)


Article DOI: 10.1021/jm1006269
BindingDB Entry DOI: 10.7270/Q2T154X2
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50476120
PNG
(CHEMBL221920)
Show SMILES C(COc1cccc2CC3(CC3)Oc12)NCc1cncc(c1)C1=CCCC1 |t:26|
Show InChI InChI=1S/C23H26N2O2/c1-2-5-18(4-1)20-12-17(15-25-16-20)14-24-10-11-26-21-7-3-6-19-13-23(8-9-23)27-22(19)21/h3-4,6-7,12,15-16,24H,1-2,5,8-11,13-14H2
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0.447n/an/an/an/an/an/an/an/a



Pierre Fabre Research Center

Curated by ChEMBL


Assay Description
Displacement of [3H]YM-09151-2 from rat striatum D2 receptor


J Med Chem 50: 865-76 (2007)


Article DOI: 10.1021/jm061180b
BindingDB Entry DOI: 10.7270/Q2ZS309D
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50472574
PNG
(CHEMBL42042)
Show SMILES Cc1ccc(CNCC2(F)CCN(CC2)C(=O)c2ccc(F)c(Cl)c2)nc1-n1cccn1
Show InChI InChI=1S/C23H24ClF2N5O/c1-16-3-5-18(29-21(16)31-10-2-9-28-31)14-27-15-23(26)7-11-30(12-8-23)22(32)17-4-6-20(25)19(24)13-17/h2-6,9-10,13,27H,7-8,11-12,14-15H2,1H3
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0.447n/an/an/an/an/an/an/an/a



Pierre Fabre Research Center

Curated by ChEMBL


Assay Description
Binding affinity towards 5-hydroxytryptamine 1A receptor in rat cortex using [3H]8-OH-DPAT as a radioligand


J Med Chem 42: 1648-60 (1999)


Article DOI: 10.1021/jm9806906
BindingDB Entry DOI: 10.7270/Q2MS3WHR
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50417008
PNG
(CHEMBL1255771)
Show SMILES C[C@]12C[C@]1(Cc1ccccc21)c1cnc[nH]1 |r|
Show InChI InChI=1S/C14H14N2/c1-13-8-14(13,12-7-15-9-16-12)6-10-4-2-3-5-11(10)13/h2-5,7,9H,6,8H2,1H3,(H,15,16)/t13-,14-/m1/s1
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0.447n/an/an/an/an/an/an/an/a



Pierre Fabre Research Center

Curated by ChEMBL


Assay Description
Displacement of [3H]-RX821002 from human adrenergic alpha2A receptor expressed in rat C6 cells after 120 mins by liquid scintillation counting


J Med Chem 53: 6986-95 (2010)


Article DOI: 10.1021/jm1006269
BindingDB Entry DOI: 10.7270/Q2T154X2
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50472594
PNG
(CHEMBL46539)
Show SMILES Fc1ccc(cc1Cl)C(=O)N1CCC(F)(CNCc2cccc(n2)-c2cc[nH]n2)CC1
Show InChI InChI=1S/C22H22ClF2N5O/c23-17-12-15(4-5-18(17)24)21(31)30-10-7-22(25,8-11-30)14-26-13-16-2-1-3-19(28-16)20-6-9-27-29-20/h1-6,9,12,26H,7-8,10-11,13-14H2,(H,27,29)
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0.457n/an/an/an/an/an/an/an/a



Pierre Fabre Research Center

Curated by ChEMBL


Assay Description
Binding affinity towards 5-hydroxytryptamine 1A receptor in rat cortex using [3H]8-OH-DPAT as a radioligand


J Med Chem 42: 1648-60 (1999)


Article DOI: 10.1021/jm9806906
BindingDB Entry DOI: 10.7270/Q2MS3WHR
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50472591
PNG
(CHEMBL44659)
Show SMILES FC1(CNCc2cccc(n2)-c2cnco2)CCN(CC1)C(=O)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C22H21Cl2FN4O2/c23-17-5-4-15(10-18(17)24)21(30)29-8-6-22(25,7-9-29)13-26-11-16-2-1-3-19(28-16)20-12-27-14-31-20/h1-5,10,12,14,26H,6-9,11,13H2
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0.468n/an/an/an/an/an/an/an/a



Pierre Fabre Research Center

Curated by ChEMBL


Assay Description
Binding affinity towards 5-hydroxytryptamine 1A receptor in rat cortex using [3H]8-OH-DPAT as a radioligand


J Med Chem 42: 1648-60 (1999)


Article DOI: 10.1021/jm9806906
BindingDB Entry DOI: 10.7270/Q2MS3WHR
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50472588
PNG
(CHEMBL46379)
Show SMILES CN(C)c1ccc(C)c(CNCC2(F)CCN(CC2)C(=O)c2ccc(F)c(Cl)c2)n1
Show InChI InChI=1S/C22H27ClF2N4O/c1-15-4-7-20(28(2)3)27-19(15)13-26-14-22(25)8-10-29(11-9-22)21(30)16-5-6-18(24)17(23)12-16/h4-7,12,26H,8-11,13-14H2,1-3H3
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0.468n/an/an/an/an/an/an/an/a



Pierre Fabre Research Center

Curated by ChEMBL


Assay Description
Binding affinity towards 5-hydroxytryptamine 1A receptor in rat cortex using [3H]8-OH-DPAT as a radioligand


J Med Chem 42: 1648-60 (1999)


Article DOI: 10.1021/jm9806906
BindingDB Entry DOI: 10.7270/Q2MS3WHR
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50472590
PNG
(CHEMBL44159)
Show SMILES Fc1ccc(cc1Cl)C(=O)N1CCC(F)(CNCc2cccc(n2)-n2cccn2)CC1
Show InChI InChI=1S/C22H22ClF2N5O/c23-18-13-16(5-6-19(18)24)21(31)29-11-7-22(25,8-12-29)15-26-14-17-3-1-4-20(28-17)30-10-2-9-27-30/h1-6,9-10,13,26H,7-8,11-12,14-15H2
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0.490n/an/an/an/an/an/an/an/a



Pierre Fabre Research Center

Curated by ChEMBL


Assay Description
Binding affinity towards 5-hydroxytryptamine 1A receptor in rat cortex using [3H]8-OH-DPAT as a radioligand


J Med Chem 42: 1648-60 (1999)


Article DOI: 10.1021/jm9806906
BindingDB Entry DOI: 10.7270/Q2MS3WHR
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50476116
PNG
(CHEMBL220809)
Show SMILES CC(C)Oc1ccccc1OCCNCc1cccc(c1)C1=CCCC1 |t:23|
Show InChI InChI=1S/C23H29NO2/c1-18(2)26-23-13-6-5-12-22(23)25-15-14-24-17-19-8-7-11-21(16-19)20-9-3-4-10-20/h5-9,11-13,16,18,24H,3-4,10,14-15,17H2,1-2H3
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0.501n/an/an/an/an/an/an/an/a



Pierre Fabre Research Center

Curated by ChEMBL


Assay Description
Displacement of [3H]YM-09151-2 from rat striatum D2 receptor


J Med Chem 50: 865-76 (2007)


Article DOI: 10.1021/jm061180b
BindingDB Entry DOI: 10.7270/Q2ZS309D
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50417013
PNG
(CHEMBL1256610)
Show SMILES CC[C@H]1c2ccccc2[C@H]2C[C@@]12c1cnc[nH]1 |r|
Show InChI InChI=1S/C15H16N2/c1-2-12-10-5-3-4-6-11(10)13-7-15(12,13)14-8-16-9-17-14/h3-6,8-9,12-13H,2,7H2,1H3,(H,16,17)/t12-,13+,15+/m0/s1
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0.513n/an/an/an/an/an/an/an/a



Pierre Fabre Research Center

Curated by ChEMBL


Assay Description
Displacement of [3H]-RX821002 from human adrenergic alpha2A receptor expressed in rat C6 cells after 120 mins by liquid scintillation counting


J Med Chem 53: 6986-95 (2010)


Article DOI: 10.1021/jm1006269
BindingDB Entry DOI: 10.7270/Q2T154X2
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50417020
PNG
(CHEMBL1256609)
Show SMILES C[C@H]1c2ccccc2[C@H]2C[C@@]12c1cnc[nH]1 |r|
Show InChI InChI=1S/C14H14N2/c1-9-10-4-2-3-5-11(10)12-6-14(9,12)13-7-15-8-16-13/h2-5,7-9,12H,6H2,1H3,(H,15,16)/t9-,12+,14+/m0/s1
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0.537n/an/an/an/an/an/an/an/a



Pierre Fabre Research Center

Curated by ChEMBL


Assay Description
Displacement of [3H]-RX821002 from human adrenergic Alpha-2C receptor expressed in rat C6 cells after 120 mins by liquid scintillation counting


J Med Chem 53: 6986-95 (2010)


Article DOI: 10.1021/jm1006269
BindingDB Entry DOI: 10.7270/Q2T154X2
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50472064
PNG
(CHEMBL45101)
Show SMILES Clc1ccc(cc1Cl)C(=O)N1CCC(CNCc2cccc(n2)-c2cc[nH]n2)CC1
Show InChI InChI=1S/C22H23Cl2N5O/c23-18-5-4-16(12-19(18)24)22(30)29-10-7-15(8-11-29)13-25-14-17-2-1-3-20(27-17)21-6-9-26-28-21/h1-6,9,12,15,25H,7-8,10-11,13-14H2,(H,26,28)
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0.537n/an/an/an/an/an/an/an/a



Pierre Fabre Research Center

Curated by ChEMBL


Assay Description
Binding affinity towards 5-hydroxytryptamine 1A receptor in rat cortex using [3H]8-OH-DPAT as a radioligand


J Med Chem 42: 1648-60 (1999)


Article DOI: 10.1021/jm9806906
BindingDB Entry DOI: 10.7270/Q2MS3WHR
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50472064
PNG
(CHEMBL45101)
Show SMILES Clc1ccc(cc1Cl)C(=O)N1CCC(CNCc2cccc(n2)-c2cc[nH]n2)CC1
Show InChI InChI=1S/C22H23Cl2N5O/c23-18-5-4-16(12-19(18)24)22(30)29-10-7-15(8-11-29)13-25-14-17-2-1-3-20(27-17)21-6-9-26-28-21/h1-6,9,12,15,25H,7-8,10-11,13-14H2,(H,26,28)
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0.537n/an/an/an/an/an/an/an/a



Pierre Fabre Research Center

Curated by ChEMBL


Assay Description
Binding affinity for rat cortex 5-hydroxytryptamine 1A receptor, by displacement of 0.2 nM [3H]8-OH-DPAT radioligand


J Med Chem 41: 5070-83 (1998)


Article DOI: 10.1021/jm9804329
BindingDB Entry DOI: 10.7270/Q28P6383
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50472573
PNG
(CHEMBL296289)
Show SMILES CN(C)c1cc(C)cc(CNCC2(F)CCN(CC2)C(=O)c2ccc(F)c(Cl)c2)n1
Show InChI InChI=1S/C22H27ClF2N4O/c1-15-10-17(27-20(11-15)28(2)3)13-26-14-22(25)6-8-29(9-7-22)21(30)16-4-5-19(24)18(23)12-16/h4-5,10-12,26H,6-9,13-14H2,1-3H3
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0.562n/an/an/an/an/an/an/an/a



Pierre Fabre Research Center

Curated by ChEMBL


Assay Description
Binding affinity towards 5-hydroxytryptamine 1A receptor in rat cortex using [3H]8-OH-DPAT as a radioligand


J Med Chem 42: 1648-60 (1999)


Article DOI: 10.1021/jm9806906
BindingDB Entry DOI: 10.7270/Q2MS3WHR
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50476115
PNG
(CHEMBL425810)
Show SMILES CC(C)Oc1ccccc1OCCNCc1cccc(c1)-c1cccs1
Show InChI InChI=1S/C22H25NO2S/c1-17(2)25-21-10-4-3-9-20(21)24-13-12-23-16-18-7-5-8-19(15-18)22-11-6-14-26-22/h3-11,14-15,17,23H,12-13,16H2,1-2H3
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0.562n/an/an/an/an/an/an/an/a



Pierre Fabre Research Center

Curated by ChEMBL


Assay Description
Displacement of [3H]YM-09151-2 from rat striatum D2 receptor


J Med Chem 50: 865-76 (2007)


Article DOI: 10.1021/jm061180b
BindingDB Entry DOI: 10.7270/Q2ZS309D
More data for this
Ligand-Target Pair
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