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Compile Data Set for Download or QSAR

Found 902 hits with Last Name = 'cilia' and Initial = 'a'   
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
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))
BDBM50105834
PNG
(CHEMBL3597594)
Show SMILES [#6]-c1cccc(n1)C#C\[#6]=[#6]-1/[#6]-[#6]-[#7](-[#6]-[#6]-1)-c1ncccc1-[#7+](-[#8-])=O
Show InChI InChI=1S/C19H18N4O2/c1-15-5-2-7-17(21-15)8-3-6-16-10-13-22(14-11-16)19-18(23(24)25)9-4-12-20-19/h2,4-7,9,12H,10-11,13-14H2,1H3
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0.0300n/an/an/an/an/an/an/an/a



University of Modena and Reggio Emilia

Curated by ChEMBL


Assay Description
Displacement of [3H]MPEP from mGluR5 receptor in Sprague-Dawley rat forebrain membrane after 60 mins by liquid scintillation spectrometry


Bioorg Med Chem 23: 3040-58 (2015)


Article DOI: 10.1016/j.bmc.2015.05.008
BindingDB Entry DOI: 10.7270/Q2PK0HX0
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))
BDBM50105833
PNG
(CHEMBL3597593)
Show SMILES [#8-]-[#7+](=O)-c1cccnc1-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]/C#Cc1ccccn1
Show InChI InChI=1S/C18H16N4O2/c23-22(24)17-8-4-12-20-18(17)21-13-9-15(10-14-21)5-3-7-16-6-1-2-11-19-16/h1-2,4-6,8,11-12H,9-10,13-14H2
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0.100n/an/an/an/an/an/an/an/a



University of Modena and Reggio Emilia

Curated by ChEMBL


Assay Description
Displacement of [3H]MPEP from mGluR5 receptor in Sprague-Dawley rat forebrain membrane after 60 mins by liquid scintillation spectrometry


Bioorg Med Chem 23: 3040-58 (2015)


Article DOI: 10.1016/j.bmc.2015.05.008
BindingDB Entry DOI: 10.7270/Q2PK0HX0
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(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
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))
BDBM50105801
PNG
(CHEMBL3597596)
Show SMILES [#6]-c1cccc(n1)C#C\[#6]=[#6]-1/[#6]-[#6]-[#7](-[#6]-[#6]-1)-c1ccccc1-[#7+](-[#8-])=O
Show InChI InChI=1S/C20H19N3O2/c1-16-6-4-8-18(21-16)9-5-7-17-12-14-22(15-13-17)19-10-2-3-11-20(19)23(24)25/h2-4,6-8,10-11H,12-15H2,1H3
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0.200n/an/an/an/an/an/an/an/a



University of Modena and Reggio Emilia

Curated by ChEMBL


Assay Description
Displacement of [3H]MPEP from mGluR5 receptor in Sprague-Dawley rat forebrain membrane after 60 mins by liquid scintillation spectrometry


Bioorg Med Chem 23: 3040-58 (2015)


Article DOI: 10.1016/j.bmc.2015.05.008
BindingDB Entry DOI: 10.7270/Q2PK0HX0
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Homo sapiens (Human))
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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0.224n/an/an/an/an/an/an/an/a



Alma Mater Studiorum-University of Bologna

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from human alpha1D adrenoceptor expressed in CHO cell membranes after 30 mins


Eur J Med Chem 136: 259-269 (2017)


Article DOI: 10.1016/j.ejmech.2017.05.003
BindingDB Entry DOI: 10.7270/Q2W95CQN
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
Alpha-1B adrenergic receptor


(Homo sapiens (Human))
BDBM50282204
PNG
(CHEMBL4161165)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCC[C@@H](C1)NC(=O)c1ccco1 |r|
Show InChI InChI=1S/C20H23N5O4/c1-27-16-9-13-14(10-17(16)28-2)23-20(24-18(13)21)25-7-3-5-12(11-25)22-19(26)15-6-4-8-29-15/h4,6,8-10,12H,3,5,7,11H2,1-2H3,(H,22,26)(H2,21,23,24)/t12-/m0/s1
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0.282n/an/an/an/an/an/an/an/a



Alma Mater Studiorum-University of Bologna

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from human alpha1B adrenoceptor expressed in CHO cell membranes after 30 mins


Eur J Med Chem 136: 259-269 (2017)


Article DOI: 10.1016/j.ejmech.2017.05.003
BindingDB Entry DOI: 10.7270/Q2W95CQN
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50105833
PNG
(CHEMBL3597593)
Show SMILES [#8-]-[#7+](=O)-c1cccnc1-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]/C#Cc1ccccn1
Show InChI InChI=1S/C18H16N4O2/c23-22(24)17-8-4-12-20-18(17)21-13-9-15(10-14-21)5-3-7-16-6-1-2-11-19-16/h1-2,4-6,8,11-12H,9-10,13-14H2
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0.300n/an/an/an/an/an/an/an/a



University of Modena and Reggio Emilia

Curated by ChEMBL


Assay Description
Displacement of [3H]MPEP from human cloned mGluR5 receptor expressed in CHO-T-Rex cells after 60 mins by liquid scintillation spectrometry


Bioorg Med Chem 23: 3040-58 (2015)


Article DOI: 10.1016/j.bmc.2015.05.008
BindingDB Entry DOI: 10.7270/Q2PK0HX0
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50105802
PNG
(CHEMBL3597597)
Show SMILES [#6]-c1cccc(c1)C#C\[#6]=[#6]-1/[#6]-[#6]-[#7](-[#6]-[#6]-1)-c1ncccc1-[#7+](-[#8-])=O
Show InChI InChI=1S/C20H19N3O2/c1-16-5-2-7-18(15-16)8-3-6-17-10-13-22(14-11-17)20-19(23(24)25)9-4-12-21-20/h2,4-7,9,12,15H,10-11,13-14H2,1H3
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0.300n/an/an/an/an/an/an/an/a



University of Modena and Reggio Emilia

Curated by ChEMBL


Assay Description
Displacement of [3H]MPEP from human cloned mGluR5 receptor expressed in CHO-T-Rex cells after 60 mins by liquid scintillation spectrometry


Bioorg Med Chem 23: 3040-58 (2015)


Article DOI: 10.1016/j.bmc.2015.05.008
BindingDB Entry DOI: 10.7270/Q2PK0HX0
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50105805
PNG
(CHEMBL3597600)
Show SMILES [#6]-c1ccc(c(n1)-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]/C#Cc1ccc(cn1)C#N)-[#7+](-[#8-])=O
Show InChI InChI=1S/C20H17N5O2/c1-15-5-8-19(25(26)27)20(23-15)24-11-9-16(10-12-24)3-2-4-18-7-6-17(13-21)14-22-18/h3,5-8,14H,9-12H2,1H3
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0.300n/an/an/an/an/an/an/an/a



University of Modena and Reggio Emilia

Curated by ChEMBL


Assay Description
Displacement of [3H]MPEP from human cloned mGluR5 receptor expressed in CHO-T-Rex cells after 60 mins by liquid scintillation spectrometry


Bioorg Med Chem 23: 3040-58 (2015)


Article DOI: 10.1016/j.bmc.2015.05.008
BindingDB Entry DOI: 10.7270/Q2PK0HX0
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50105801
PNG
(CHEMBL3597596)
Show SMILES [#6]-c1cccc(n1)C#C\[#6]=[#6]-1/[#6]-[#6]-[#7](-[#6]-[#6]-1)-c1ccccc1-[#7+](-[#8-])=O
Show InChI InChI=1S/C20H19N3O2/c1-16-6-4-8-18(21-16)9-5-7-17-12-14-22(15-13-17)19-10-2-3-11-20(19)23(24)25/h2-4,6-8,10-11H,12-15H2,1H3
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0.300n/an/an/an/an/an/an/an/a



University of Modena and Reggio Emilia

Curated by ChEMBL


Assay Description
Displacement of [3H]MPEP from human cloned mGluR5 receptor expressed in CHO-T-Rex cells after 60 mins by liquid scintillation spectrometry


Bioorg Med Chem 23: 3040-58 (2015)


Article DOI: 10.1016/j.bmc.2015.05.008
BindingDB Entry DOI: 10.7270/Q2PK0HX0
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50004767
PNG
(CHEMBL2312536)
Show SMILES COc1ccccc1OCCNC[C@H]1COCC(O1)(c1ccccc1)c1ccccc1 |r|
Show InChI InChI=1S/C26H29NO4/c1-28-24-14-8-9-15-25(24)30-17-16-27-18-23-19-29-20-26(31-23,21-10-4-2-5-11-21)22-12-6-3-7-13-22/h2-15,23,27H,16-20H2,1H3/t23-/m0/s1
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0.309n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


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


Eur J Med Chem 125: 233-244 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.026
BindingDB Entry DOI: 10.7270/Q21C20BZ
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Homo sapiens (Human))
BDBM86731
PNG
(CAS_74191-85-8 | Doxazosin | UK 33,274)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)C(=O)C1COc2ccccc2O1
Show InChI InChI=1S/C23H25N5O5/c1-30-18-11-14-15(12-19(18)31-2)25-23(26-21(14)24)28-9-7-27(8-10-28)22(29)20-13-32-16-5-3-4-6-17(16)33-20/h3-6,11-12,20H,7-10,13H2,1-2H3,(H2,24,25,26)
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0.324n/an/an/an/an/an/an/an/a



Alma Mater Studiorum-University of Bologna

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from human alpha1D adrenoceptor expressed in CHO cell membranes after 30 mins


Eur J Med Chem 136: 259-269 (2017)


Article DOI: 10.1016/j.ejmech.2017.05.003
BindingDB Entry DOI: 10.7270/Q2W95CQN
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(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


(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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0.330n/an/an/an/an/an/an/an/a



Universit&aagrove; di Firenze

Curated by PDSP Ki Database




J Pharmacol Exp Ther 315: 109-17 (2005)


Article DOI: 10.1124/jpet.105.087809
BindingDB Entry DOI: 10.7270/Q2VD6X2V
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(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


(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
5-hydroxytryptamine receptor 1A


(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]8-OH-DPAT from human cloned 5HT-1AR transfected in HeLa cells incubated for 30 mins by liquid scintillation counter


Eur J Med Chem 176: 310-325 (2019)


Article DOI: 10.1016/j.ejmech.2019.05.024
BindingDB Entry DOI: 10.7270/Q26976XT
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(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£ di Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]-8-OH-DPAT from human recombinant 5-HT1A receptor expressed in human HeLa cells incubated for 30 mins by radioligand competition ...


Eur J Med Chem 168: 461-473 (2019)


Article DOI: 10.1016/j.ejmech.2019.02.056
BindingDB Entry DOI: 10.7270/Q2WM1HT7
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Homo sapiens (Human))
BDBM50282204
PNG
(CHEMBL4161165)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCC[C@@H](C1)NC(=O)c1ccco1 |r|
Show InChI InChI=1S/C20H23N5O4/c1-27-16-9-13-14(10-17(16)28-2)23-20(24-18(13)21)25-7-3-5-12(11-25)22-19(26)15-6-4-8-29-15/h4,6,8-10,12H,3,5,7,11H2,1-2H3,(H,22,26)(H2,21,23,24)/t12-/m0/s1
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0.331n/an/an/an/an/an/an/an/a



Alma Mater Studiorum-University of Bologna

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from human alpha1D adrenoceptor expressed in CHO cell membranes after 30 mins


Eur J Med Chem 136: 259-269 (2017)


Article DOI: 10.1016/j.ejmech.2017.05.003
BindingDB Entry DOI: 10.7270/Q2W95CQN
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(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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0.372n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]-8-OH-DPAT from human recombinant 5-HT1A receptor expressed in human HeLa cells incubated for 30 mins by radioligand competition ...


Eur J Med Chem 168: 461-473 (2019)


Article DOI: 10.1016/j.ejmech.2019.02.056
BindingDB Entry DOI: 10.7270/Q2WM1HT7
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(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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0.372n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


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


Eur J Med Chem 125: 233-244 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.026
BindingDB Entry DOI: 10.7270/Q21C20BZ
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50198338
PNG
(CHEMBL3938038)
Show SMILES CC(C)Oc1ccccc1N1CCN(CCc2ccc3OCOc3c2)CC1
Show InChI InChI=1S/C22H28N2O3/c1-17(2)27-20-6-4-3-5-19(20)24-13-11-23(12-14-24)10-9-18-7-8-21-22(15-18)26-16-25-21/h3-8,15,17H,9-14,16H2,1-2H3
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0.389n/an/an/an/an/an/an/an/a



University of Bras£lia

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from human alpha1A-adrenoceptor expressed in CHO cell membranes measured after 30 mins


Eur J Med Chem 122: 601-610 (2016)


Article DOI: 10.1016/j.ejmech.2016.06.052
BindingDB Entry DOI: 10.7270/Q2JW8GW1
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50004768
PNG
(CHEMBL2312538)
Show SMILES C(COc1ccccc1)NC[C@H]1COCC(O1)(c1ccccc1)c1ccccc1 |r|
Show InChI InChI=1S/C25H27NO3/c1-4-10-21(11-5-1)25(22-12-6-2-7-13-22)20-27-19-24(29-25)18-26-16-17-28-23-14-8-3-9-15-23/h1-15,24,26H,16-20H2/t24-/m0/s1
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0.398n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


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


Eur J Med Chem 125: 233-244 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.026
BindingDB Entry DOI: 10.7270/Q21C20BZ
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50105837
PNG
(CHEMBL3597585)
Show SMILES [O-][N+](=O)c1ccccc1N1CCN(CC1)C(=O)C#Cc1ccccc1
Show InChI InChI=1S/C19H17N3O3/c23-19(11-10-16-6-2-1-3-7-16)21-14-12-20(13-15-21)17-8-4-5-9-18(17)22(24)25/h1-9H,12-15H2
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0.400n/an/an/an/an/an/an/an/a



University of Modena and Reggio Emilia

Curated by ChEMBL


Assay Description
Displacement of [3H]MPEP from human cloned mGluR5 receptor expressed in CHO-T-Rex cells after 60 mins by liquid scintillation spectrometry


Bioorg Med Chem 23: 3040-58 (2015)


Article DOI: 10.1016/j.bmc.2015.05.008
BindingDB Entry DOI: 10.7270/Q2PK0HX0
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50105832
PNG
(CHEMBL3597592)
Show SMILES [#8-]-[#7+](=O)-c1cccnc1-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]/C#Cc1ccccc1
Show InChI InChI=1S/C19H17N3O2/c23-22(24)18-10-5-13-20-19(18)21-14-11-17(12-15-21)9-4-8-16-6-2-1-3-7-16/h1-3,5-7,9-10,13H,11-12,14-15H2
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0.400n/an/an/an/an/an/an/an/a



University of Modena and Reggio Emilia

Curated by ChEMBL


Assay Description
Displacement of [3H]MPEP from human cloned mGluR5 receptor expressed in CHO-T-Rex cells after 60 mins by liquid scintillation spectrometry


Bioorg Med Chem 23: 3040-58 (2015)


Article DOI: 10.1016/j.bmc.2015.05.008
BindingDB Entry DOI: 10.7270/Q2PK0HX0
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))
BDBM50105802
PNG
(CHEMBL3597597)
Show SMILES [#6]-c1cccc(c1)C#C\[#6]=[#6]-1/[#6]-[#6]-[#7](-[#6]-[#6]-1)-c1ncccc1-[#7+](-[#8-])=O
Show InChI InChI=1S/C20H19N3O2/c1-16-5-2-7-18(15-16)8-3-6-17-10-13-22(14-11-17)20-19(23(24)25)9-4-12-21-20/h2,4-7,9,12,15H,10-11,13-14H2,1H3
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0.400n/an/an/an/an/an/an/an/a



University of Modena and Reggio Emilia

Curated by ChEMBL


Assay Description
Displacement of [3H]MPEP from mGluR5 receptor in Sprague-Dawley rat forebrain membrane after 60 mins by liquid scintillation spectrometry


Bioorg Med Chem 23: 3040-58 (2015)


Article DOI: 10.1016/j.bmc.2015.05.008
BindingDB Entry DOI: 10.7270/Q2PK0HX0
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))
BDBM50105803
PNG
(CHEMBL3597598)
Show SMILES [#8-]-[#7+](=O)-c1cccnc1-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]/C#Cc1cccc(Cl)c1
Show InChI InChI=1S/C19H16ClN3O2/c20-17-7-2-6-16(14-17)5-1-4-15-9-12-22(13-10-15)19-18(23(24)25)8-3-11-21-19/h2-4,6-8,11,14H,9-10,12-13H2
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0.400n/an/an/an/an/an/an/an/a



University of Modena and Reggio Emilia

Curated by ChEMBL


Assay Description
Displacement of [3H]MPEP from mGluR5 receptor in Sprague-Dawley rat forebrain membrane after 60 mins by liquid scintillation spectrometry


Bioorg Med Chem 23: 3040-58 (2015)


Article DOI: 10.1016/j.bmc.2015.05.008
BindingDB Entry DOI: 10.7270/Q2PK0HX0
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))
BDBM50105805
PNG
(CHEMBL3597600)
Show SMILES [#6]-c1ccc(c(n1)-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]/C#Cc1ccc(cn1)C#N)-[#7+](-[#8-])=O
Show InChI InChI=1S/C20H17N5O2/c1-15-5-8-19(25(26)27)20(23-15)24-11-9-16(10-12-24)3-2-4-18-7-6-17(13-21)14-22-18/h3,5-8,14H,9-12H2,1H3
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0.400n/an/an/an/an/an/an/an/a



University of Modena and Reggio Emilia

Curated by ChEMBL


Assay Description
Displacement of [3H]MPEP from mGluR5 receptor in Sprague-Dawley rat forebrain membrane after 60 mins by liquid scintillation spectrometry


Bioorg Med Chem 23: 3040-58 (2015)


Article DOI: 10.1016/j.bmc.2015.05.008
BindingDB Entry DOI: 10.7270/Q2PK0HX0
More data for this
Ligand-Target Pair
Alpha-1B adrenergic receptor


(Homo sapiens (Human))
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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0.407n/an/an/an/an/an/an/an/a



Alma Mater Studiorum-University of Bologna

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from human alpha1B adrenoceptor expressed in CHO cell membranes after 30 mins


Eur J Med Chem 136: 259-269 (2017)


Article DOI: 10.1016/j.ejmech.2017.05.003
BindingDB Entry DOI: 10.7270/Q2W95CQN
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50105803
PNG
(CHEMBL3597598)
Show SMILES [#8-]-[#7+](=O)-c1cccnc1-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]/C#Cc1cccc(Cl)c1
Show InChI InChI=1S/C19H16ClN3O2/c20-17-7-2-6-16(14-17)5-1-4-15-9-12-22(13-10-15)19-18(23(24)25)8-3-11-21-19/h2-4,6-8,11,14H,9-10,12-13H2
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0.5n/an/an/an/an/an/an/an/a



University of Modena and Reggio Emilia

Curated by ChEMBL


Assay Description
Displacement of [3H]MPEP from human cloned mGluR5 receptor expressed in CHO-T-Rex cells after 60 mins by liquid scintillation spectrometry


Bioorg Med Chem 23: 3040-58 (2015)


Article DOI: 10.1016/j.bmc.2015.05.008
BindingDB Entry DOI: 10.7270/Q2PK0HX0
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50105834
PNG
(CHEMBL3597594)
Show SMILES [#6]-c1cccc(n1)C#C\[#6]=[#6]-1/[#6]-[#6]-[#7](-[#6]-[#6]-1)-c1ncccc1-[#7+](-[#8-])=O
Show InChI InChI=1S/C19H18N4O2/c1-15-5-2-7-17(21-15)8-3-6-16-10-13-22(14-11-16)19-18(23(24)25)9-4-12-20-19/h2,4-7,9,12H,10-11,13-14H2,1H3
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0.5n/an/an/an/an/an/an/an/a



University of Modena and Reggio Emilia

Curated by ChEMBL


Assay Description
Displacement of [3H]MPEP from human cloned mGluR5 receptor expressed in CHO-T-Rex cells after 60 mins by liquid scintillation spectrometry


Bioorg Med Chem 23: 3040-58 (2015)


Article DOI: 10.1016/j.bmc.2015.05.008
BindingDB Entry DOI: 10.7270/Q2PK0HX0
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50105806
PNG
(CHEMBL3597602)
Show SMILES [#6]-c1cccc(n1)C#C\[#6]=[#6]-1/[#6]-[#6]-[#7](-[#6]-[#6]-1)-c1ncc(cc1C#N)-c1ccccc1
Show InChI InChI=1S/C26H22N4/c1-20-7-5-11-25(29-20)12-6-8-21-13-15-30(16-14-21)26-23(18-27)17-24(19-28-26)22-9-3-2-4-10-22/h2-5,7-11,17,19H,13-16H2,1H3
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0.5n/an/an/an/an/an/an/an/a



University of Modena and Reggio Emilia

Curated by ChEMBL


Assay Description
Displacement of [3H]MPEP from human cloned mGluR5 receptor expressed in CHO-T-Rex cells after 60 mins by liquid scintillation spectrometry


Bioorg Med Chem 23: 3040-58 (2015)


Article DOI: 10.1016/j.bmc.2015.05.008
BindingDB Entry DOI: 10.7270/Q2PK0HX0
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50105831
PNG
(CHEMBL3597584)
Show SMILES [O-][N+](=O)c1cccnc1N1CCN(CC1)C(=O)C#Cc1ccccc1
Show InChI InChI=1S/C18H16N4O3/c23-17(9-8-15-5-2-1-3-6-15)20-11-13-21(14-12-20)18-16(22(24)25)7-4-10-19-18/h1-7,10H,11-14H2
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0.5n/an/an/an/an/an/an/an/a



University of Modena and Reggio Emilia

Curated by ChEMBL


Assay Description
Displacement of [3H]MPEP from human cloned mGluR5 receptor expressed in CHO-T-Rex cells after 60 mins by liquid scintillation spectrometry


Bioorg Med Chem 23: 3040-58 (2015)


Article DOI: 10.1016/j.bmc.2015.05.008
BindingDB Entry DOI: 10.7270/Q2PK0HX0
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50513275
PNG
(CHEMBL4458714)
Show SMILES OC(=O)C(O)=O.COc1ccccc1OCCNCCC1COC(O1)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C26H29NO4.C2H2O4/c1-28-24-14-8-9-15-25(24)29-19-18-27-17-16-23-20-30-26(31-23,21-10-4-2-5-11-21)22-12-6-3-7-13-22;3-1(4)2(5)6/h2-15,23,27H,16-20H2,1H3;(H,3,4)(H,5,6)
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0.501n/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 cloned 5HT-1AR transfected in HeLa cells incubated for 30 mins by liquid scintillation counter


Eur J Med Chem 176: 310-325 (2019)


Article DOI: 10.1016/j.ejmech.2019.05.024
BindingDB Entry DOI: 10.7270/Q26976XT
More data for this
Ligand-Target Pair
Alpha-1B adrenergic receptor


(Homo sapiens (Human))
BDBM50282202
PNG
(CHEMBL4163587)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCC[C@@H](C1)NC1=CC(=O)c2ccccc2C1=O |r,t:25|
Show InChI InChI=1S/C25H25N5O4/c1-33-21-10-17-18(12-22(21)34-2)28-25(29-24(17)26)30-9-5-6-14(13-30)27-19-11-20(31)15-7-3-4-8-16(15)23(19)32/h3-4,7-8,10-12,14,27H,5-6,9,13H2,1-2H3,(H2,26,28,29)/t14-/m0/s1
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0.525n/an/an/an/an/an/an/an/a



Alma Mater Studiorum-University of Bologna

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from human alpha1B adrenoceptor expressed in CHO cell membranes after 30 mins


Eur J Med Chem 136: 259-269 (2017)


Article DOI: 10.1016/j.ejmech.2017.05.003
BindingDB Entry DOI: 10.7270/Q2W95CQN
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50004766
PNG
(CHEMBL2312226)
Show SMILES COc1cccc(OC)c1OCCNC[C@H]1COCC(O1)(c1ccccc1)c1ccccc1 |r|
Show InChI InChI=1S/C27H31NO5/c1-29-24-14-9-15-25(30-2)26(24)32-17-16-28-18-23-19-31-20-27(33-23,21-10-5-3-6-11-21)22-12-7-4-8-13-22/h3-15,23,28H,16-20H2,1-2H3/t23-/m0/s1
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0.550n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


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


Eur J Med Chem 125: 233-244 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.026
BindingDB Entry DOI: 10.7270/Q21C20BZ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(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


(Homo sapiens (Human))
BDBM50259021
PNG
(CHEMBL4067083)
Show SMILES [O-][N+](=O)c1ccccc1OCCNCC1COCC(O1)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C25H26N2O5/c28-27(29)23-13-7-8-14-24(23)31-16-15-26-17-22-18-30-19-25(32-22,20-9-3-1-4-10-20)21-11-5-2-6-12-21/h1-14,22,26H,15-19H2
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0.562n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


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


Eur J Med Chem 125: 233-244 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.026
BindingDB Entry DOI: 10.7270/Q21C20BZ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50004769
PNG
(CHEMBL2312537)
Show SMILES C(COc1ccccc1)NCC1COCC(O1)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C25H27NO3/c1-4-10-21(11-5-1)25(22-12-6-2-7-13-22)20-27-19-24(29-25)18-26-16-17-28-23-14-8-3-9-15-23/h1-15,24,26H,16-20H2
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0.589n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]-8-OH-DPAT from human recombinant 5-HT1A receptor expressed in human HeLa cells incubated for 30 mins by radioligand competition ...


Eur J Med Chem 168: 461-473 (2019)


Article DOI: 10.1016/j.ejmech.2019.02.056
BindingDB Entry DOI: 10.7270/Q2WM1HT7
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50004769
PNG
(CHEMBL2312537)
Show SMILES C(COc1ccccc1)NCC1COCC(O1)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C25H27NO3/c1-4-10-21(11-5-1)25(22-12-6-2-7-13-22)20-27-19-24(29-25)18-26-16-17-28-23-14-8-3-9-15-23/h1-15,24,26H,16-20H2
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0.589n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


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


Eur J Med Chem 125: 233-244 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.026
BindingDB Entry DOI: 10.7270/Q21C20BZ
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
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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0.589n/an/an/an/an/an/an/an/a



Alma Mater Studiorum-University of Bologna

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from human alpha1A adrenoceptor expressed in CHO cell membranes after 30 mins


Eur J Med Chem 136: 259-269 (2017)


Article DOI: 10.1016/j.ejmech.2017.05.003
BindingDB Entry DOI: 10.7270/Q2W95CQN
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))
BDBM50105832
PNG
(CHEMBL3597592)
Show SMILES [#8-]-[#7+](=O)-c1cccnc1-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]/C#Cc1ccccc1
Show InChI InChI=1S/C19H17N3O2/c23-22(24)18-10-5-13-20-19(18)21-14-11-17(12-15-21)9-4-8-16-6-2-1-3-7-16/h1-3,5-7,9-10,13H,11-12,14-15H2
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0.600n/an/an/an/an/an/an/an/a



University of Modena and Reggio Emilia

Curated by ChEMBL


Assay Description
Displacement of [3H]MPEP from mGluR5 receptor in Sprague-Dawley rat forebrain membrane after 60 mins by liquid scintillation spectrometry


Bioorg Med Chem 23: 3040-58 (2015)


Article DOI: 10.1016/j.bmc.2015.05.008
BindingDB Entry DOI: 10.7270/Q2PK0HX0
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM21397
PNG
(8-[4-(4-fluorophenyl)-4-keto-butyl]-1-phenyl-1,3,8...)
Show SMILES Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)N(CNC2=O)c1ccccc1
Show InChI InChI=1S/C23H26FN3O2/c24-19-10-8-18(9-11-19)21(28)7-4-14-26-15-12-23(13-16-26)22(29)25-17-27(23)20-5-2-1-3-6-20/h1-3,5-6,8-11H,4,7,12-17H2,(H,25,29)
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0.600n/an/an/an/an/an/an/an/a



Universit&aagrove; di Firenze

Curated by PDSP Ki Database




J Pharmacol Exp Ther 315: 109-17 (2005)


Article DOI: 10.1124/jpet.105.087809
BindingDB Entry DOI: 10.7270/Q2VD6X2V
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))
BDBM50105831
PNG
(CHEMBL3597584)
Show SMILES [O-][N+](=O)c1cccnc1N1CCN(CC1)C(=O)C#Cc1ccccc1
Show InChI InChI=1S/C18H16N4O3/c23-17(9-8-15-5-2-1-3-6-15)20-11-13-21(14-12-20)18-16(22(24)25)7-4-10-19-18/h1-7,10H,11-14H2
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0.600n/an/an/an/an/an/an/an/a



University of Modena and Reggio Emilia

Curated by ChEMBL


Assay Description
Displacement of [3H]MPEP from mGluR5 receptor in Sprague-Dawley rat forebrain membrane after 60 mins by liquid scintillation spectrometry


Bioorg Med Chem 23: 3040-58 (2015)


Article DOI: 10.1016/j.bmc.2015.05.008
BindingDB Entry DOI: 10.7270/Q2PK0HX0
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(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 cloned 5HT-1AR transfected in HeLa cells incubated for 30 mins by liquid scintillation counter


Eur J Med Chem 176: 310-325 (2019)


Article DOI: 10.1016/j.ejmech.2019.05.024
BindingDB Entry DOI: 10.7270/Q26976XT
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50412783
PNG
(CHEMBL493486)
Show SMILES COc1ccccc1OCCNC[C@@H]1COCC(O1)(c1ccccc1)c1ccccc1 |r|
Show InChI InChI=1S/C26H29NO4/c1-28-24-14-8-9-15-25(24)30-17-16-27-18-23-19-29-20-26(31-23,21-10-4-2-5-11-21)22-12-6-3-7-13-22/h2-15,23,27H,16-20H2,1H3/t23-/m1/s1
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0.603n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


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


Eur J Med Chem 125: 233-244 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.026
BindingDB Entry DOI: 10.7270/Q21C20BZ
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Homo sapiens (Human))
BDBM50200566
PNG
(CHEMBL3902626)
Show SMILES CCOc1ccccc1N1CCN(CCc2ccc(OC)c(OC)c2)CC1
Show InChI InChI=1S/C22H30N2O3/c1-4-27-20-8-6-5-7-19(20)24-15-13-23(14-16-24)12-11-18-9-10-21(25-2)22(17-18)26-3/h5-10,17H,4,11-16H2,1-3H3
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0.603n/an/an/an/an/an/an/an/a



University of Bras£lia

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from human alpha1D-adrenoceptor expressed in CHO cell membranes measured after 30 mins


Eur J Med Chem 122: 601-610 (2016)


Article DOI: 10.1016/j.ejmech.2016.06.052
BindingDB Entry DOI: 10.7270/Q2JW8GW1
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(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
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