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Compile Data Set for Download or QSAR

Found 746 hits with Last Name = 'fossa' and Initial = 'p'   
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 (5-HT1A)


(Homo sapiens (Human))
BDBM50415777
PNG
(CHEMBL1086156)
Show SMILES COc1ccccc1OCCNCC1CSC(S1)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C25H27NO2S2/c1-27-23-14-8-9-15-24(23)28-17-16-26-18-22-19-29-25(30-22,20-10-4-2-5-11-20)21-12-6-3-7-13-21/h2-15,22,26H,16-19H2,1H3
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0.129n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Modena e Reggio Emilia

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from human 5-HT1A receptor expressed in human HeLa cells


Bioorg Med Chem Lett 20: 2017-20 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.030
BindingDB Entry DOI: 10.7270/Q2X34ZQJ
More data for this
Ligand-Target Pair
Adenosine A1 receptor


(BOVINE)
BDBM50003019
PNG
(8-(Hexahydro-2,5-methano-pentalen-3a-yl)-1,3-dipro...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C12CC3CC1CC(C2)C3 |THB:22:21:18:24.23.25,22:23:18:21.20|
Show InChI InChI=1S/C20H28N4O2/c1-3-5-23-16-15(17(25)24(6-4-2)19(23)26)21-18(22-16)20-10-12-7-13(11-20)9-14(20)8-12/h12-14H,3-11H2,1-2H3,(H,21,22)
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0.190n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Genova

Curated by ChEMBL


Assay Description
Binding affinity at bovine Adenosine A1 receptor.


J Med Chem 45: 4875-87 (2002)


BindingDB Entry DOI: 10.7270/Q2N87BHS
More data for this
Ligand-Target Pair
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))
BDBM29568
PNG
(CHEMBL2 | PRAZOSIN | PRAZOSIN HYDROCHLORIDE | [3H]...)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)C(=O)c1ccco1
Show InChI InChI=1S/C19H21N5O4/c1-26-15-10-12-13(11-16(15)27-2)21-19(22-17(12)20)24-7-5-23(6-8-24)18(25)14-4-3-9-28-14/h3-4,9-11H,5-8H2,1-2H3,(H2,20,21,22)
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0.240n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL




Bioorg Med Chem Lett 12: 437-40 (2002)


BindingDB Entry DOI: 10.7270/Q2XW4N1S
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50416773
PNG
(CHEMBL1242352)
Show SMILES COc1ccccc1N1CCN(CC2OCC(O2)(c2ccccc2)c2ccccc2)CC1
Show InChI InChI=1S/C27H30N2O3/c1-30-25-15-9-8-14-24(25)29-18-16-28(17-19-29)20-26-31-21-27(32-26,22-10-4-2-5-11-22)23-12-6-3-7-13-23/h2-15,26H,16-21H2,1H3
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0.263n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Modena e Reggio Emilia

Curated by ChEMBL


Assay Description
Displacement [3H]prazosin of human recombinant alpha1A adrenergic receptor expressed in CHO cells by rapid filtration technique


Eur J Med Chem 45: 3740-51 (2010)


Article DOI: 10.1016/j.ejmech.2010.05.023
BindingDB Entry DOI: 10.7270/Q2ZS2XR1
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50419716
PNG
(CHEMBL1946777)
Show SMILES COc1ccccc1N1CCN(CC2COC(O2)(c2ccccc2)c2ccccc2)CC1
Show InChI InChI=1S/C27H30N2O3/c1-30-26-15-9-8-14-25(26)29-18-16-28(17-19-29)20-24-21-31-27(32-24,22-10-4-2-5-11-22)23-12-6-3-7-13-23/h2-15,24H,16-21H2,1H3
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0.263n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Modena e Reggio Emilia

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from human recombinant alpha1A adrenoceptor expressed in CHO cells after 30 mins by liquid scintillation counting


J Med Chem 55: 23-36 (2012)


Article DOI: 10.1021/jm200421e
BindingDB Entry DOI: 10.7270/Q2G44RKK
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50419713
PNG
(CHEMBL1946786)
Show SMILES COc1ccccc1OCCNC[C@H]1CCC([C@@H]1O)(c1ccccc1)c1ccccc1 |r|
Show InChI InChI=1S/C27H31NO3/c1-30-24-14-8-9-15-25(24)31-19-18-28-20-21-16-17-27(26(21)29,22-10-4-2-5-11-22)23-12-6-3-7-13-23/h2-15,21,26,28-29H,16-20H2,1H3/t21-,26-/m1/s1
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0.324n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Modena e Reggio Emilia

Curated by ChEMBL


Assay Description
Displacement of [3H]-OH-DPAT from human recombinant 5HT1A receptor expressed in HeLa cells after 30 mins by liquid scintillation counting


J Med Chem 55: 23-36 (2012)


Article DOI: 10.1021/jm200421e
BindingDB Entry DOI: 10.7270/Q2G44RKK
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM86708
PNG
(CAS_146714-97-8 | CHEMBL31354 | CHEMBL514874 | CHE...)
Show SMILES COc1ccccc1N1CCN(CCN(C(=O)C2CCCCC2)c2ccccn2)CC1
Show InChI InChI=1S/C25H34N4O2/c1-31-23-12-6-5-11-22(23)28-18-15-27(16-19-28)17-20-29(24-13-7-8-14-26-24)25(30)21-9-3-2-4-10-21/h5-8,11-14,21H,2-4,9-10,15-20H2,1H3
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0.331n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Modena e Reggio Emilia

Curated by ChEMBL


Assay Description
Displacement [3H]8-OH-DPAT of human cloned 5HT1A receptor expressed in human HeLa cells by rapid filtration technique


Eur J Med Chem 45: 3740-51 (2010)


Article DOI: 10.1016/j.ejmech.2010.05.023
BindingDB Entry DOI: 10.7270/Q2ZS2XR1
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM86708
PNG
(CAS_146714-97-8 | CHEMBL31354 | CHEMBL514874 | CHE...)
Show SMILES COc1ccccc1N1CCN(CCN(C(=O)C2CCCCC2)c2ccccn2)CC1
Show InChI InChI=1S/C25H34N4O2/c1-31-23-12-6-5-11-22(23)28-18-15-27(16-19-28)17-20-29(24-13-7-8-14-26-24)25(30)21-9-3-2-4-10-21/h5-8,11-14,21H,2-4,9-10,15-20H2,1H3
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0.331n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Modena e Reggio Emilia

Curated by ChEMBL


Assay Description
Displacement of [3H]-OH-DPAT from human recombinant 5HT1A receptor expressed in HeLa cells after 30 mins by liquid scintillation counting


J Med Chem 55: 23-36 (2012)


Article DOI: 10.1021/jm200421e
BindingDB Entry DOI: 10.7270/Q2G44RKK
More data for this
Ligand-Target Pair
Adenosine A1 receptor


(BOVINE)
BDBM21173
PNG
(1,3-dipropyl-8-cyclopentylxanthine | 8-cyclopentyl...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1CCCC1
Show InChI InChI=1S/C16H24N4O2/c1-3-9-19-14-12(15(21)20(10-4-2)16(19)22)17-13(18-14)11-7-5-6-8-11/h11H,3-10H2,1-2H3,(H,17,18)
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0.460n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Genova

Curated by ChEMBL


Assay Description
Binding affinity at bovine Adenosine A1 receptor.


J Med Chem 45: 4875-87 (2002)


BindingDB Entry DOI: 10.7270/Q2N87BHS
More data for this
Ligand-Target Pair
Adenosine A1 receptor


(BOVINE)
BDBM50120441
PNG
(1-[2-(2-Hydroxy-ethyl)-piperidin-1-yl]-3-(2-phenyl...)
Show SMILES OCC[C@@H]1CCCCN1C(=O)C=CC1=CC=CN2N=C(CC12)c1ccccc1 |w:11.11,c:16,19,t:14|
Show InChI InChI=1S/C23H27N3O2/c27-16-13-20-10-4-5-14-25(20)23(28)12-11-19-9-6-15-26-22(19)17-21(24-26)18-7-2-1-3-8-18/h1-3,6-9,11-12,15,20,22,27H,4-5,10,13-14,16-17H2/t20-,22?/m0/s1
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0.490n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Genova

Curated by ChEMBL


Assay Description
Binding affinity at bovine Adenosine A1 receptor.


J Med Chem 45: 4875-87 (2002)


BindingDB Entry DOI: 10.7270/Q2N87BHS
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50419714
PNG
(CHEMBL1946787)
Show SMILES COc1ccccc1N1CCN(C[C@H]2CCC([C@H]2O)(c2ccccc2)c2ccccc2)CC1 |r|
Show InChI InChI=1S/C29H34N2O2/c1-33-27-15-9-8-14-26(27)31-20-18-30(19-21-31)22-23-16-17-29(28(23)32,24-10-4-2-5-11-24)25-12-6-3-7-13-25/h2-15,23,28,32H,16-22H2,1H3/t23-,28+/m1/s1
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0.562n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Modena e Reggio Emilia

Curated by ChEMBL


Assay Description
Displacement of [3H]-OH-DPAT from human recombinant 5HT1A receptor expressed in HeLa cells after 30 mins by liquid scintillation counting


J Med Chem 55: 23-36 (2012)


Article DOI: 10.1021/jm200421e
BindingDB Entry DOI: 10.7270/Q2G44RKK
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50409811
PNG
(CHEMBL1082862 | CHEMBL286003)
Show SMILES COc1ccccc1OCCNCC1COC(O1)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C25H27NO4/c1-27-23-14-8-9-15-24(23)28-17-16-26-18-22-19-29-25(30-22,20-10-4-2-5-11-20)21-12-6-3-7-13-21/h2-15,22,26H,16-19H2,1H3
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0.603n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Modena e Reggio Emilia

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from human 5-HT1A receptor expressed in human HeLa cells


Bioorg Med Chem Lett 20: 2017-20 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.030
BindingDB Entry DOI: 10.7270/Q2X34ZQJ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50409811
PNG
(CHEMBL1082862 | CHEMBL286003)
Show SMILES COc1ccccc1OCCNCC1COC(O1)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C25H27NO4/c1-27-23-14-8-9-15-24(23)28-17-16-26-18-22-19-29-25(30-22,20-10-4-2-5-11-20)21-12-6-3-7-13-21/h2-15,22,26H,16-19H2,1H3
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0.603n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Modena e Reggio Emilia

Curated by ChEMBL


Assay Description
Displacement of [3H]-OH-DPAT from human recombinant 5HT1A receptor expressed in HeLa cells after 30 mins by liquid scintillation counting


J Med Chem 55: 23-36 (2012)


Article DOI: 10.1021/jm200421e
BindingDB Entry DOI: 10.7270/Q2G44RKK
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50416781
PNG
(CHEMBL1242632)
Show SMILES COc1ccccc1N1CCN(C[C@H]2CO[C@](CN3CCCCCC3=O)(O2)c2ccccc2)CC1 |r|
Show InChI InChI=1S/C28H37N3O4/c1-33-26-13-8-7-12-25(26)30-18-16-29(17-19-30)20-24-21-34-28(35-24,23-10-4-2-5-11-23)22-31-15-9-3-6-14-27(31)32/h2,4-5,7-8,10-13,24H,3,6,9,14-22H2,1H3/t24-,28+/m0/s1
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0.631n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Modena e Reggio Emilia

Curated by ChEMBL


Assay Description
Displacement [3H]prazosin of human recombinant alpha1A adrenergic receptor expressed in CHO cells by rapid filtration technique


Eur J Med Chem 45: 3740-51 (2010)


Article DOI: 10.1016/j.ejmech.2010.05.023
BindingDB Entry DOI: 10.7270/Q2ZS2XR1
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50419718
PNG
(CHEMBL1946780)
Show SMILES COc1ccccc1N1CCN(CC2CCC(O2)(c2ccccc2)c2ccccc2)CC1
Show InChI InChI=1S/C28H32N2O2/c1-31-27-15-9-8-14-26(27)30-20-18-29(19-21-30)22-25-16-17-28(32-25,23-10-4-2-5-11-23)24-12-6-3-7-13-24/h2-15,25H,16-22H2,1H3
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0.646n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Modena e Reggio Emilia

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from human recombinant alpha1A adrenoceptor expressed in CHO cells after 30 mins by liquid scintillation counting


J Med Chem 55: 23-36 (2012)


Article DOI: 10.1021/jm200421e
BindingDB Entry DOI: 10.7270/Q2G44RKK
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50151272
PNG
(CHEMBL3769930)
Show SMILES C(C1COC2(CCCCC2)O1)N1CCN(Cc2ccccc2)CC1
Show InChI InChI=1/C20H30N2O2/c1-3-7-18(8-4-1)15-21-11-13-22(14-12-21)16-19-17-23-20(24-19)9-5-2-6-10-20/h1,3-4,7-8,19H,2,5-6,9-17H2
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0.741n/an/an/an/an/an/an/an/a



Universit£ di Modena e Reggio Emilia

Curated by ChEMBL


Assay Description
Displacement of [3H]-(+)-pentazocine from sigma-1 receptor in guinea pig brain membranes after 150 mins by liquid scintillation counting method


Eur J Med Chem 112: 1-19 (2016)


BindingDB Entry DOI: 10.7270/Q23J3FTB
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50419715
PNG
(CHEMBL1946788)
Show SMILES COc1ccccc1N1CCN(C[C@H]2CCC([C@@H]2O)(c2ccccc2)c2ccccc2)CC1 |r|
Show InChI InChI=1S/C29H34N2O2/c1-33-27-15-9-8-14-26(27)31-20-18-30(19-21-31)22-23-16-17-29(28(23)32,24-10-4-2-5-11-24)25-12-6-3-7-13-25/h2-15,23,28,32H,16-22H2,1H3/t23-,28-/m1/s1
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0.794n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Modena e Reggio Emilia

Curated by ChEMBL


Assay Description
Displacement of [3H]-OH-DPAT from human recombinant 5HT1A receptor expressed in HeLa cells after 30 mins by liquid scintillation counting


J Med Chem 55: 23-36 (2012)


Article DOI: 10.1021/jm200421e
BindingDB Entry DOI: 10.7270/Q2G44RKK
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Homo sapiens (Human))
BDBM50419716
PNG
(CHEMBL1946777)
Show SMILES COc1ccccc1N1CCN(CC2COC(O2)(c2ccccc2)c2ccccc2)CC1
Show InChI InChI=1S/C27H30N2O3/c1-30-26-15-9-8-14-25(26)29-18-16-28(17-19-29)20-24-21-31-27(32-24,22-10-4-2-5-11-22)23-12-6-3-7-13-23/h2-15,24H,16-21H2,1H3
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0.813n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Modena e Reggio Emilia

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from recombinant human alpha1d adrenergic receptor expressed in CHO cell membranes after 30 mins by TopCount liquid scin...


Eur J Med Chem 125: 435-452 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.050
BindingDB Entry DOI: 10.7270/Q2BG2R46
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Homo sapiens (Human))
BDBM50419716
PNG
(CHEMBL1946777)
Show SMILES COc1ccccc1N1CCN(CC2COC(O2)(c2ccccc2)c2ccccc2)CC1
Show InChI InChI=1S/C27H30N2O3/c1-30-26-15-9-8-14-25(26)29-18-16-28(17-19-29)20-24-21-31-27(32-24,22-10-4-2-5-11-22)23-12-6-3-7-13-23/h2-15,24H,16-21H2,1H3
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0.813n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Modena e Reggio Emilia

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from human recombinant Alpha-1D adrenoreceptor expressed in CHO cells after 30 mins by liquid scintillation counting


J Med Chem 55: 23-36 (2012)


Article DOI: 10.1021/jm200421e
BindingDB Entry DOI: 10.7270/Q2G44RKK
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Homo sapiens (Human))
BDBM50416773
PNG
(CHEMBL1242352)
Show SMILES COc1ccccc1N1CCN(CC2OCC(O2)(c2ccccc2)c2ccccc2)CC1
Show InChI InChI=1S/C27H30N2O3/c1-30-25-15-9-8-14-24(25)29-18-16-28(17-19-29)20-26-31-21-27(32-26,22-10-4-2-5-11-22)23-12-6-3-7-13-23/h2-15,26H,16-21H2,1H3
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0.813n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Modena e Reggio Emilia

Curated by ChEMBL


Assay Description
Displacement [3H]prazosin of human recombinant Alpha-1D adrenergic receptor expressed in CHO cells by rapid filtration technique


Eur J Med Chem 45: 3740-51 (2010)


Article DOI: 10.1016/j.ejmech.2010.05.023
BindingDB Entry DOI: 10.7270/Q2ZS2XR1
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50419722
PNG
(CHEMBL1946779)
Show SMILES COc1ccccc1OCCNCC1CCC(O1)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C26H29NO3/c1-28-24-14-8-9-15-25(24)29-19-18-27-20-23-16-17-26(30-23,21-10-4-2-5-11-21)22-12-6-3-7-13-22/h2-15,23,27H,16-20H2,1H3
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0.832n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Modena e Reggio Emilia

Curated by ChEMBL


Assay Description
Displacement of [3H]-OH-DPAT from human recombinant 5HT1A receptor expressed in HeLa cells after 30 mins by liquid scintillation counting


J Med Chem 55: 23-36 (2012)


Article DOI: 10.1021/jm200421e
BindingDB Entry DOI: 10.7270/Q2G44RKK
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50416779
PNG
(CHEMBL1242541)
Show SMILES COc1ccccc1N1CCN(C[C@H]2CO[C@](CN3CCCCC3=O)(O2)c2ccccc2)CC1 |r|
Show InChI InChI=1S/C27H35N3O4/c1-32-25-12-6-5-11-24(25)29-17-15-28(16-18-29)19-23-20-33-27(34-23,22-9-3-2-4-10-22)21-30-14-8-7-13-26(30)31/h2-6,9-12,23H,7-8,13-21H2,1H3/t23-,27+/m0/s1
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0.871n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Modena e Reggio Emilia

Curated by ChEMBL


Assay Description
Displacement [3H]prazosin of human recombinant alpha1A adrenergic receptor expressed in CHO cells by rapid filtration technique


Eur J Med Chem 45: 3740-51 (2010)


Article DOI: 10.1016/j.ejmech.2010.05.023
BindingDB Entry DOI: 10.7270/Q2ZS2XR1
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50415772
PNG
(CHEMBL1078953)
Show SMILES CCOc1ccccc1OCCNCC1COC(O1)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C26H29NO4/c1-2-28-24-15-9-10-16-25(24)29-18-17-27-19-23-20-30-26(31-23,21-11-5-3-6-12-21)22-13-7-4-8-14-22/h3-16,23,27H,2,17-20H2,1H3
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0.891n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Modena e Reggio Emilia

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from human 5-HT1A receptor expressed in human HeLa cells


Bioorg Med Chem Lett 20: 2017-20 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.030
BindingDB Entry DOI: 10.7270/Q2X34ZQJ
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Homo sapiens (Human))
BDBM50099461
PNG
(CHEMBL3342871)
Show SMILES COc1ccccc1N1CCN(CC2COC3(CCN(CC3)S(=O)(=O)c3cccc(c3)[N+]([O-])=O)O2)CC1
Show InChI InChI=1/C25H32N4O7S/c1-34-24-8-3-2-7-23(24)27-15-13-26(14-16-27)18-21-19-35-25(36-21)9-11-28(12-10-25)37(32,33)22-6-4-5-20(17-22)29(30)31/h2-8,17,21H,9-16,18-19H2,1H3
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0.912n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Modena e Reggio Emilia

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from human recombinant alpha1D adrenoceptor expressed in CHO cells after 30 mins by liquid scintillation counting


Eur J Med Chem 87: 248-66 (2014)


Article DOI: 10.1016/j.ejmech.2014.09.070
BindingDB Entry DOI: 10.7270/Q20G3MX4
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50210789
PNG
(CHEMBL3938383)
Show SMILES COc1ccccc1OCCNCC1CSC2(CCCCC2)S1
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0.933n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Modena e Reggio Emilia

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from recombinant human 5-HT1A receptor expressed in HeLa cell membranes after 30 mins by TopCount liquid scintillation ...


Eur J Med Chem 125: 435-452 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.050
BindingDB Entry DOI: 10.7270/Q2BG2R46
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50415776
PNG
(CHEMBL1083182)
Show SMILES COc1ccccc1OCCNCC1CSC(O1)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C25H27NO3S/c1-27-23-14-8-9-15-24(23)28-17-16-26-18-22-19-30-25(29-22,20-10-4-2-5-11-20)21-12-6-3-7-13-21/h2-15,22,26H,16-19H2,1H3
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1.02n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Modena e Reggio Emilia

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from human 5-HT1A receptor expressed in human HeLa cells


Bioorg Med Chem Lett 20: 2017-20 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.030
BindingDB Entry DOI: 10.7270/Q2X34ZQJ
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50151254
PNG
(CHEMBL3769895)
Show SMILES C([C@H]1CO[C@](O1)(C1CCCCC1)c1ccccc1)N1CCN(Cc2ccccc2)CC1 |r|
Show InChI InChI=1/C27H36N2O2/c1-4-10-23(11-5-1)20-28-16-18-29(19-17-28)21-26-22-30-27(31-26,24-12-6-2-7-13-24)25-14-8-3-9-15-25/h1-2,4-7,10-13,25-26H,3,8-9,14-22H2/t26-,27+/s2
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1.10n/an/an/an/an/an/an/an/a



Universit£ di Modena e Reggio Emilia

Curated by ChEMBL


Assay Description
Displacement of [3H]-(+)-pentazocine from sigma-1 receptor in guinea pig brain membranes after 150 mins by liquid scintillation counting method


Eur J Med Chem 112: 1-19 (2016)


BindingDB Entry DOI: 10.7270/Q23J3FTB
More data for this
Ligand-Target Pair
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))
BDBM50109283
PNG
(6-(1H-benzo[d]imidazol-1-yl)-2-(4-(4-(2-methoxyphe...)
Show SMILES COc1ccccc1N1CCN(CCCCn2nc(ccc2=O)-n2cnc3ccccc23)CC1
Show InChI InChI=1S/C26H30N6O2/c1-34-24-11-5-4-10-23(24)30-18-16-29(17-19-30)14-6-7-15-32-26(33)13-12-25(28-32)31-20-27-21-8-2-3-9-22(21)31/h2-5,8-13,20H,6-7,14-19H2,1H3
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1.10n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL




Bioorg Med Chem Lett 12: 437-40 (2002)


BindingDB Entry DOI: 10.7270/Q2XW4N1S
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50026917
PNG
(8-(2-(4-(2-methoxyphenyl)piperazin-1-yl)ethyl)-8-a...)
Show SMILES COc1ccccc1N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1
Show InChI InChI=1S/C22H31N3O3/c1-28-19-7-3-2-6-18(19)24-13-10-23(11-14-24)12-15-25-20(26)16-22(17-21(25)27)8-4-5-9-22/h2-3,6-7H,4-5,8-17H2,1H3
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1.26n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Modena e Reggio Emilia

Curated by ChEMBL


Assay Description
Displacement of [3H]-OH-DPAT from human recombinant 5HT1A receptor expressed in HeLa cells after 30 mins by liquid scintillation counting


J Med Chem 55: 23-36 (2012)


Article DOI: 10.1021/jm200421e
BindingDB Entry DOI: 10.7270/Q2G44RKK
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50026917
PNG
(8-(2-(4-(2-methoxyphenyl)piperazin-1-yl)ethyl)-8-a...)
Show SMILES COc1ccccc1N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1
Show InChI InChI=1S/C22H31N3O3/c1-28-19-7-3-2-6-18(19)24-13-10-23(11-14-24)12-15-25-20(26)16-22(17-21(25)27)8-4-5-9-22/h2-3,6-7H,4-5,8-17H2,1H3
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1.26n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Modena e Reggio Emilia

Curated by ChEMBL


Assay Description
Displacement [3H]8-OH-DPAT of human cloned 5HT1A receptor expressed in human HeLa cells by rapid filtration technique


Eur J Med Chem 45: 3740-51 (2010)


Article DOI: 10.1016/j.ejmech.2010.05.023
BindingDB Entry DOI: 10.7270/Q2ZS2XR1
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50416776
PNG
(CHEMBL1241557)
Show SMILES COc1ccccc1N1CCN(C[C@@H]2CO[C@](CN3C(=O)CC4(CCCC4)CC3=O)(O2)c2ccccc2)CC1 |r|
Show InChI InChI=1S/C31H39N3O5/c1-37-27-12-6-5-11-26(27)33-17-15-32(16-18-33)21-25-22-38-31(39-25,24-9-3-2-4-10-24)23-34-28(35)19-30(20-29(34)36)13-7-8-14-30/h2-6,9-12,25H,7-8,13-23H2,1H3/t25-,31-/m1/s1
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1.26n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Modena e Reggio Emilia

Curated by ChEMBL


Assay Description
Displacement [3H]8-OH-DPAT of human cloned 5HT1A receptor expressed in human HeLa cells by rapid filtration technique


Eur J Med Chem 45: 3740-51 (2010)


Article DOI: 10.1016/j.ejmech.2010.05.023
BindingDB Entry DOI: 10.7270/Q2ZS2XR1
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50026917
PNG
(8-(2-(4-(2-methoxyphenyl)piperazin-1-yl)ethyl)-8-a...)
Show SMILES COc1ccccc1N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1
Show InChI InChI=1S/C22H31N3O3/c1-28-19-7-3-2-6-18(19)24-13-10-23(11-14-24)12-15-25-20(26)16-22(17-21(25)27)8-4-5-9-22/h2-3,6-7H,4-5,8-17H2,1H3
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1.26n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Modena e Reggio Emilia

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from human 5-HT1A receptor expressed in human HeLa cells


Bioorg Med Chem Lett 20: 2017-20 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.030
BindingDB Entry DOI: 10.7270/Q2X34ZQJ
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Homo sapiens (Human))
BDBM50026917
PNG
(8-(2-(4-(2-methoxyphenyl)piperazin-1-yl)ethyl)-8-a...)
Show SMILES COc1ccccc1N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1
Show InChI InChI=1S/C22H31N3O3/c1-28-19-7-3-2-6-18(19)24-13-10-23(11-14-24)12-15-25-20(26)16-22(17-21(25)27)8-4-5-9-22/h2-3,6-7H,4-5,8-17H2,1H3
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1.29n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Modena e Reggio Emilia

Curated by ChEMBL


Assay Description
Displacement [3H]prazosin of human recombinant Alpha-1D adrenergic receptor expressed in CHO cells by rapid filtration technique


Eur J Med Chem 45: 3740-51 (2010)


Article DOI: 10.1016/j.ejmech.2010.05.023
BindingDB Entry DOI: 10.7270/Q2ZS2XR1
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Homo sapiens (Human))
BDBM50026917
PNG
(8-(2-(4-(2-methoxyphenyl)piperazin-1-yl)ethyl)-8-a...)
Show SMILES COc1ccccc1N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1
Show InChI InChI=1S/C22H31N3O3/c1-28-19-7-3-2-6-18(19)24-13-10-23(11-14-24)12-15-25-20(26)16-22(17-21(25)27)8-4-5-9-22/h2-3,6-7H,4-5,8-17H2,1H3
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1.29n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Modena e Reggio Emilia

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from human Alpha-1D adrenergic receptor expressed in CHO cells


Bioorg Med Chem Lett 20: 2017-20 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.030
BindingDB Entry DOI: 10.7270/Q2X34ZQJ
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Homo sapiens (Human))
BDBM50026917
PNG
(8-(2-(4-(2-methoxyphenyl)piperazin-1-yl)ethyl)-8-a...)
Show SMILES COc1ccccc1N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1
Show InChI InChI=1S/C22H31N3O3/c1-28-19-7-3-2-6-18(19)24-13-10-23(11-14-24)12-15-25-20(26)16-22(17-21(25)27)8-4-5-9-22/h2-3,6-7H,4-5,8-17H2,1H3
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1.29n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Modena e Reggio Emilia

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from human recombinant Alpha-1D adrenoreceptor expressed in CHO cells after 30 mins by liquid scintillation counting


J Med Chem 55: 23-36 (2012)


Article DOI: 10.1021/jm200421e
BindingDB Entry DOI: 10.7270/Q2G44RKK
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Homo sapiens (Human))
BDBM50026917
PNG
(8-(2-(4-(2-methoxyphenyl)piperazin-1-yl)ethyl)-8-a...)
Show SMILES COc1ccccc1N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1
Show InChI InChI=1S/C22H31N3O3/c1-28-19-7-3-2-6-18(19)24-13-10-23(11-14-24)12-15-25-20(26)16-22(17-21(25)27)8-4-5-9-22/h2-3,6-7H,4-5,8-17H2,1H3
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1.30n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Modena e Reggio Emilia

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from recombinant human alpha1d adrenergic receptor expressed in CHO cell membranes after 30 mins by TopCount liquid scin...


Eur J Med Chem 125: 435-452 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.050
BindingDB Entry DOI: 10.7270/Q2BG2R46
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50026917
PNG
(8-(2-(4-(2-methoxyphenyl)piperazin-1-yl)ethyl)-8-a...)
Show SMILES COc1ccccc1N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1
Show InChI InChI=1S/C22H31N3O3/c1-28-19-7-3-2-6-18(19)24-13-10-23(11-14-24)12-15-25-20(26)16-22(17-21(25)27)8-4-5-9-22/h2-3,6-7H,4-5,8-17H2,1H3
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1.30n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Modena e Reggio Emilia

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from recombinant human 5-HT1A receptor expressed in HeLa cell membranes after 30 mins by TopCount liquid scintillation ...


Eur J Med Chem 125: 435-452 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.050
BindingDB Entry DOI: 10.7270/Q2BG2R46
More data for this
Ligand-Target Pair
Adenosine A1 receptor


(BOVINE)
BDBM50207816
PNG
(CHEMBL273094 | N-(2-Amino-ethyl)-2-[4-(2,6-dioxo-1...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)NCCN)cc1
Show InChI InChI=1S/C21H28N6O4/c1-3-11-26-19-17(20(29)27(12-4-2)21(26)30)24-18(25-19)14-5-7-15(8-6-14)31-13-16(28)23-10-9-22/h5-8H,3-4,9-13,22H2,1-2H3,(H,23,28)(H,24,25)
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1.30n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Genova

Curated by ChEMBL


Assay Description
Binding affinity at bovine Adenosine A1 receptor.


J Med Chem 45: 4875-87 (2002)


BindingDB Entry DOI: 10.7270/Q2N87BHS
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Homo sapiens (Human))
BDBM50416776
PNG
(CHEMBL1241557)
Show SMILES COc1ccccc1N1CCN(C[C@@H]2CO[C@](CN3C(=O)CC4(CCCC4)CC3=O)(O2)c2ccccc2)CC1 |r|
Show InChI InChI=1S/C31H39N3O5/c1-37-27-12-6-5-11-26(27)33-17-15-32(16-18-33)21-25-22-38-31(39-25,24-9-3-2-4-10-24)23-34-28(35)19-30(20-29(34)36)13-7-8-14-30/h2-6,9-12,25H,7-8,13-23H2,1H3/t25-,31-/m1/s1
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1.38n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Modena e Reggio Emilia

Curated by ChEMBL


Assay Description
Displacement [3H]prazosin of human recombinant Alpha-1D adrenergic receptor expressed in CHO cells by rapid filtration technique


Eur J Med Chem 45: 3740-51 (2010)


Article DOI: 10.1016/j.ejmech.2010.05.023
BindingDB Entry DOI: 10.7270/Q2ZS2XR1
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50416777
PNG
(CHEMBL1242444)
Show SMILES COc1ccccc1N1CCN(C[C@H]2CO[C@@](CN3CCCC3=O)(O2)c2ccccc2)CC1 |r|
Show InChI InChI=1S/C26H33N3O4/c1-31-24-11-6-5-10-23(24)28-16-14-27(15-17-28)18-22-19-32-26(33-22,21-8-3-2-4-9-21)20-29-13-7-12-25(29)30/h2-6,8-11,22H,7,12-20H2,1H3/t22-,26-/m0/s1
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1.38n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Modena e Reggio Emilia

Curated by ChEMBL


Assay Description
Displacement [3H]prazosin of human recombinant alpha1A adrenergic receptor expressed in CHO cells by rapid filtration technique


Eur J Med Chem 45: 3740-51 (2010)


Article DOI: 10.1016/j.ejmech.2010.05.023
BindingDB Entry DOI: 10.7270/Q2ZS2XR1
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Homo sapiens (Human))
BDBM50416780
PNG
(CHEMBL1242542)
Show SMILES COc1ccccc1N1CCN(C[C@@H]2CO[C@](CN3CCCCC3=O)(O2)c2ccccc2)CC1 |r|
Show InChI InChI=1S/C27H35N3O4/c1-32-25-12-6-5-11-24(25)29-17-15-28(16-18-29)19-23-20-33-27(34-23,22-9-3-2-4-10-22)21-30-14-8-7-13-26(30)31/h2-6,9-12,23H,7-8,13-21H2,1H3/t23-,27-/m1/s1
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1.48n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Modena e Reggio Emilia

Curated by ChEMBL


Assay Description
Displacement [3H]prazosin of human recombinant Alpha-1D adrenergic receptor expressed in CHO cells by rapid filtration technique


Eur J Med Chem 45: 3740-51 (2010)


Article DOI: 10.1016/j.ejmech.2010.05.023
BindingDB Entry DOI: 10.7270/Q2ZS2XR1
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50210792
PNG
(CHEMBL3917316)
Show SMILES C(COc1ccccc1)NCC1CSC2(CCCCC2)S1
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1.5n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Modena e Reggio Emilia

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from recombinant human 5-HT1A receptor expressed in HeLa cell membranes after 30 mins by TopCount liquid scintillation ...


Eur J Med Chem 125: 435-452 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.050
BindingDB Entry DOI: 10.7270/Q2BG2R46
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50415773
PNG
(CHEMBL1078773)
Show SMILES CC(C)Oc1ccccc1OCCNCC1COC(O1)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C27H31NO4/c1-21(2)31-26-16-10-9-15-25(26)29-18-17-28-19-24-20-30-27(32-24,22-11-5-3-6-12-22)23-13-7-4-8-14-23/h3-16,21,24,28H,17-20H2,1-2H3
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1.70n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Modena e Reggio Emilia

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from human 5-HT1A receptor expressed in human HeLa cells


Bioorg Med Chem Lett 20: 2017-20 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.030
BindingDB Entry DOI: 10.7270/Q2X34ZQJ
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50151258
PNG
(CHEMBL3770485)
Show SMILES C(C1COC(O1)(c1ccccc1)c1ccccc1)N1CCN(Cc2ccccc2)CC1
Show InChI InChI=1/C27H30N2O2/c1-4-10-23(11-5-1)20-28-16-18-29(19-17-28)21-26-22-30-27(31-26,24-12-6-2-7-13-24)25-14-8-3-9-15-25/h1-15,26H,16-22H2
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1.70n/an/an/an/an/an/an/an/a



Universit£ di Modena e Reggio Emilia

Curated by ChEMBL


Assay Description
Displacement of [3H]-(+)-pentazocine from sigma-1 receptor in guinea pig brain membranes after 150 mins by liquid scintillation counting method


Eur J Med Chem 112: 1-19 (2016)


BindingDB Entry DOI: 10.7270/Q23J3FTB
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50151271
PNG
(CHEMBL3769904)
Show SMILES C(C1COC2(CCCCC2)O1)N1CCC(Cc2ccccc2)CC1
Show InChI InChI=1/C21H31NO2/c1-3-7-18(8-4-1)15-19-9-13-22(14-10-19)16-20-17-23-21(24-20)11-5-2-6-12-21/h1,3-4,7-8,19-20H,2,5-6,9-17H2
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2n/an/an/an/an/an/an/an/a



Universit£ di Modena e Reggio Emilia

Curated by ChEMBL


Assay Description
Displacement of [3H]-(+)-pentazocine from sigma-1 receptor in guinea pig brain membranes after 150 mins by liquid scintillation counting method


Eur J Med Chem 112: 1-19 (2016)


BindingDB Entry DOI: 10.7270/Q23J3FTB
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50232938
PNG
(CHEMBL4088509)
Show SMILES C[C@H]1CC[C@H](CC1)NC(=O)c1cc(nn(Cc2ccc(F)cc2)c1=O)-c1ccc(Cl)c(C)c1 |r,wU:4.7,1.0,(53.55,-14.07,;52.76,-15.39,;53.52,-16.73,;52.74,-18.05,;51.2,-18.03,;50.43,-16.7,;51.22,-15.38,;50.42,-19.36,;48.88,-19.35,;48.12,-18.01,;48.1,-20.68,;46.55,-20.66,;45.78,-21.99,;46.55,-23.33,;48.08,-23.34,;48.84,-24.68,;48.06,-26.01,;46.52,-26,;45.74,-27.32,;46.5,-28.66,;45.72,-29.99,;48.05,-28.67,;48.82,-27.34,;48.86,-22.02,;50.4,-22.03,;44.25,-21.99,;43.48,-20.64,;41.94,-20.64,;41.16,-21.97,;39.62,-21.96,;41.93,-23.31,;41.15,-24.64,;43.47,-23.32,)|
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2n/an/an/an/an/an/an/an/a



University of Sassari

Curated by ChEMBL




Eur J Med Chem 127: 398-412 (2017)


BindingDB Entry DOI: 10.7270/Q26W9D9V
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50419717
PNG
(CHEMBL1946778)
Show SMILES C(COc1ccccc1)NCC1CCC(O1)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C25H27NO2/c1-4-10-21(11-5-1)25(22-12-6-2-7-13-22)17-16-24(28-25)20-26-18-19-27-23-14-8-3-9-15-23/h1-15,24,26H,16-20H2
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2n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Modena e Reggio Emilia

Curated by ChEMBL


Assay Description
Displacement of [3H]-OH-DPAT from human recombinant 5HT1A receptor expressed in HeLa cells after 30 mins by liquid scintillation counting


J Med Chem 55: 23-36 (2012)


Article DOI: 10.1021/jm200421e
BindingDB Entry DOI: 10.7270/Q2G44RKK
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50416775
PNG
(CHEMBL1242912)
Show SMILES COc1ccccc1N1CCN(C[C@H]2CO[C@](CN3C(=O)CC4(CCCC4)CC3=O)(O2)c2ccccc2)CC1 |r|
Show InChI InChI=1S/C31H39N3O5/c1-37-27-12-6-5-11-26(27)33-17-15-32(16-18-33)21-25-22-38-31(39-25,24-9-3-2-4-10-24)23-34-28(35)19-30(20-29(34)36)13-7-8-14-30/h2-6,9-12,25H,7-8,13-23H2,1H3/t25-,31+/m0/s1
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2.04n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Modena e Reggio Emilia

Curated by ChEMBL


Assay Description
Displacement [3H]prazosin of human recombinant alpha1A adrenergic receptor expressed in CHO cells by rapid filtration technique


Eur J Med Chem 45: 3740-51 (2010)


Article DOI: 10.1016/j.ejmech.2010.05.023
BindingDB Entry DOI: 10.7270/Q2ZS2XR1
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50415773
PNG
(CHEMBL1078773)
Show SMILES CC(C)Oc1ccccc1OCCNCC1COC(O1)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C27H31NO4/c1-21(2)31-26-16-10-9-15-25(26)29-18-17-28-19-24-20-30-27(32-24,22-11-5-3-6-12-22)23-13-7-4-8-14-23/h3-16,21,24,28H,17-20H2,1-2H3
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2.09n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Modena e Reggio Emilia

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from human alpha1A adrenergic receptor expressed in CHO cells


Bioorg Med Chem Lett 20: 2017-20 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.030
BindingDB Entry DOI: 10.7270/Q2X34ZQJ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50415774
PNG
(CHEMBL1078772)
Show SMILES C(COc1ccccc1-c1ccccc1)NCC1COC(O1)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C30H29NO3/c1-4-12-24(13-5-1)28-18-10-11-19-29(28)32-21-20-31-22-27-23-33-30(34-27,25-14-6-2-7-15-25)26-16-8-3-9-17-26/h1-19,27,31H,20-23H2
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2.19n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Modena e Reggio Emilia

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from human 5-HT1A receptor expressed in human HeLa cells


Bioorg Med Chem Lett 20: 2017-20 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.030
BindingDB Entry DOI: 10.7270/Q2X34ZQJ
More data for this
Ligand-Target Pair
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