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Compile Data Set for Download or QSAR

Found 119 hits Enz. Inhib. hit(s) with all data for entry = 50012213   
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


(Homo sapiens (Human))
BDBM50555494
PNG
(CHEMBL4742112)
Show SMILES FC1(CNCCOc2ccccc2)CCN(CC1)C(=O)c1ccc(Cl)c(Cl)c1
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0.0148n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]8-OH-DPAT from recombinant human 5HT1A receptor stably expressed in CHO-K1 cell membranes measured after 60 mins by microbeta2 sc...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.9b00062
BindingDB Entry DOI: 10.7270/Q23F4T9H
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM433554
PNG
(US10562853, Compound 74)
Show SMILES FC1(CNCCOc2ccccn2)CCN(CC1)C(=O)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C20H22Cl2FN3O2/c21-16-5-4-15(13-17(16)22)19(27)26-10-6-20(23,7-11-26)14-24-9-12-28-18-3-1-2-8-25-18/h1-5,8,13,24H,6-7,9-12,14H2
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0.0339n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]8-OH-DPAT from recombinant human 5HT1A receptor stably expressed in CHO-K1 cell membranes measured after 60 mins by microbeta2 sc...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.9b00062
BindingDB Entry DOI: 10.7270/Q23F4T9H
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM433474
PNG
(US10562853, Compound 1)
Show SMILES Fc1ccc(cc1Cl)C(=O)N1CCC(F)(CNCCOc2ccccc2)CC1
Show InChI InChI=1S/C21H23ClF2N2O2/c22-18-14-16(6-7-19(18)23)20(27)26-11-8-21(24,9-12-26)15-25-10-13-28-17-4-2-1-3-5-17/h1-7,14,25H,8-13,15H2
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0.0617n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]8-OH-DPAT from recombinant human 5HT1A receptor stably expressed in CHO-K1 cell membranes measured after 60 mins by microbeta2 sc...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.9b00062
BindingDB Entry DOI: 10.7270/Q23F4T9H
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM433501
PNG
(US10562853, Compound 18)
Show SMILES Fc1ccc(cc1Cl)C(=O)N1CCC(F)(CNCCOc2ccccn2)CC1
Show InChI InChI=1S/C20H22ClF2N3O2/c21-16-13-15(4-5-17(16)22)19(27)26-10-6-20(23,7-11-26)14-24-9-12-28-18-3-1-2-8-25-18/h1-5,8,13,24H,6-7,9-12,14H2
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0.0646n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]8-OH-DPAT from recombinant human 5HT1A receptor stably expressed in CHO-K1 cell membranes measured after 60 mins by microbeta2 sc...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.9b00062
BindingDB Entry DOI: 10.7270/Q23F4T9H
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM433536
PNG
(US10562853, Compound 59)
Show SMILES Fc1ccc(cc1Cl)C(=O)N1CCC(F)(CNCCCc2ccccc2)CC1
Show InChI InChI=1S/C22H25ClF2N2O/c23-19-15-18(8-9-20(19)24)21(28)27-13-10-22(25,11-14-27)16-26-12-4-7-17-5-2-1-3-6-17/h1-3,5-6,8-9,15,26H,4,7,10-14,16H2
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0.479n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]8-OH-DPAT from recombinant human 5HT1A receptor stably expressed in CHO-K1 cell membranes measured after 60 mins by microbeta2 sc...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.9b00062
BindingDB Entry DOI: 10.7270/Q23F4T9H
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM433515
PNG
(US10562853, Compound 36)
Show SMILES Fc1ccc(cc1Cl)C(=O)N1CCC(F)(CNCCOc2cnccn2)CC1
Show InChI InChI=1S/C19H21ClF2N4O2/c20-15-11-14(1-2-16(15)21)18(27)26-8-3-19(22,4-9-26)13-24-7-10-28-17-12-23-5-6-25-17/h1-2,5-6,11-12,24H,3-4,7-10,13H2
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0.525n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]8-OH-DPAT from recombinant human 5HT1A receptor stably expressed in CHO-K1 cell membranes measured after 60 mins by microbeta2 sc...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.9b00062
BindingDB Entry DOI: 10.7270/Q23F4T9H
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50555493
PNG
(CHEMBL4793515)
Show SMILES Fc1ccc(cc1Cl)C(=O)N1CCC(F)(CNCCSc2ccccc2)CC1
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0.562n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]8-OH-DPAT from recombinant human 5HT1A receptor stably expressed in CHO-K1 cell membranes measured after 60 mins by microbeta2 sc...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.9b00062
BindingDB Entry DOI: 10.7270/Q23F4T9H
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM433519
PNG
(US10562853, Compound 40)
Show SMILES Fc1ccc(cc1Cl)C(=O)N1CCC(F)(CNCCSc2ccccn2)CC1
Show InChI InChI=1S/C20H22ClF2N3OS/c21-16-13-15(4-5-17(16)22)19(27)26-10-6-20(23,7-11-26)14-24-9-12-28-18-3-1-2-8-25-18/h1-5,8,13,24H,6-7,9-12,14H2
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0.617n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]8-OH-DPAT from recombinant human 5HT1A receptor stably expressed in CHO-K1 cell membranes measured after 60 mins by microbeta2 sc...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.9b00062
BindingDB Entry DOI: 10.7270/Q23F4T9H
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM21393
PNG
(7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-1-o...)
Show SMILES CCCN(CCC)C1CCc2cccc(O)c2C1
Show InChI InChI=1S/C16H25NO/c1-3-10-17(11-4-2)14-9-8-13-6-5-7-16(18)15(13)12-14/h5-7,14,18H,3-4,8-12H2,1-2H3
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0.813n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]8-OH-DPAT from recombinant human 5HT1A receptor stably expressed in CHO-K1 cell membranes measured after 60 mins by microbeta2 sc...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.9b00062
BindingDB Entry DOI: 10.7270/Q23F4T9H
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM433533
PNG
(US10562853, Compound 54)
Show SMILES Fc1ccc(cc1Cl)C(=O)N1CCC(F)(CNCCNc2ccccn2)CC1
Show InChI InChI=1S/C20H23ClF2N4O/c21-16-13-15(4-5-17(16)22)19(28)27-11-6-20(23,7-12-27)14-24-9-10-26-18-3-1-2-8-25-18/h1-5,8,13,24H,6-7,9-12,14H2,(H,25,26)
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1.30n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]8-OH-DPAT from recombinant human 5HT1A receptor stably expressed in CHO-K1 cell membranes measured after 60 mins by microbeta2 sc...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.9b00062
BindingDB Entry DOI: 10.7270/Q23F4T9H
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM433502
PNG
(US10562853, Compound 19)
Show SMILES Fc1ccc(cc1Cl)C(=O)N1CCC(F)(CNCCOc2cccnc2)CC1
Show InChI InChI=1S/C20H22ClF2N3O2/c21-17-12-15(3-4-18(17)22)19(27)26-9-5-20(23,6-10-26)14-25-8-11-28-16-2-1-7-24-13-16/h1-4,7,12-13,25H,5-6,8-11,14H2
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1.5n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]8-OH-DPAT from recombinant human 5HT1A receptor stably expressed in CHO-K1 cell membranes measured after 60 mins by microbeta2 sc...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.9b00062
BindingDB Entry DOI: 10.7270/Q23F4T9H
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM433532
PNG
(US10562853, Compound 53)
Show SMILES Fc1ccc(cc1Cl)C(=O)N1CCC(F)(CNCCNc2ccccc2)CC1
Show InChI InChI=1S/C21H24ClF2N3O/c22-18-14-16(6-7-19(18)23)20(28)27-12-8-21(24,9-13-27)15-25-10-11-26-17-4-2-1-3-5-17/h1-7,14,25-26H,8-13,15H2
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1.90n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]8-OH-DPAT from recombinant human 5HT1A receptor stably expressed in CHO-K1 cell membranes measured after 60 mins by microbeta2 sc...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.9b00062
BindingDB Entry DOI: 10.7270/Q23F4T9H
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50476734
PNG
(CHEMBL230963)
Show SMILES Cc1cnc(CNCC2(F)CCN(CC2)C(=O)c2ccc(F)c(Cl)c2)nc1
Show InChI InChI=1S/C19H21ClF2N4O/c1-13-9-24-17(25-10-13)11-23-12-19(22)4-6-26(7-5-19)18(27)14-2-3-16(21)15(20)8-14/h2-3,8-10,23H,4-7,11-12H2,1H3
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2.20n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]8-OH-DPAT from recombinant human 5HT1A receptor stably expressed in CHO-K1 cell membranes measured after 60 mins by microbeta2 sc...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.9b00062
BindingDB Entry DOI: 10.7270/Q23F4T9H
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM433534
PNG
(US10562853, Compound 55)
Show SMILES Fc1ccc(cc1Cl)C(=O)N1CCC(F)(CNCCCc2ccccn2)CC1
Show InChI InChI=1S/C21H24ClF2N3O/c22-18-14-16(6-7-19(18)23)20(28)27-12-8-21(24,9-13-27)15-25-10-3-5-17-4-1-2-11-26-17/h1-2,4,6-7,11,14,25H,3,5,8-10,12-13,15H2
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2.60n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]8-OH-DPAT from recombinant human 5HT1A receptor stably expressed in CHO-K1 cell membranes measured after 60 mins by microbeta2 sc...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.9b00062
BindingDB Entry DOI: 10.7270/Q23F4T9H
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM433503
PNG
(US10562853, Compound 21)
Show SMILES Cc1ccc(OCCNCC2(F)CCN(CC2)C(=O)c2ccc(F)c(Cl)c2)nc1
Show InChI InChI=1S/C21H24ClF2N3O2/c1-15-2-5-19(26-13-15)29-11-8-25-14-21(24)6-9-27(10-7-21)20(28)16-3-4-18(23)17(22)12-16/h2-5,12-13,25H,6-11,14H2,1H3
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3.80n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]8-OH-DPAT from recombinant human 5HT1A receptor stably expressed in CHO-K1 cell membranes measured after 60 mins by microbeta2 sc...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.9b00062
BindingDB Entry DOI: 10.7270/Q23F4T9H
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50001859
PNG
((buspirone) 8-[4-(4-Pyrimidin-2-yl-piperazin-1-yl)...)
Show SMILES O=C1CC2(CCCC2)CC(=O)N1CCCCN1CCN(CC1)c1ncccn1
Show InChI InChI=1S/C21H31N5O2/c27-18-16-21(6-1-2-7-21)17-19(28)26(18)11-4-3-10-24-12-14-25(15-13-24)20-22-8-5-9-23-20/h5,8-9H,1-4,6-7,10-17H2
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5n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]8-OH-DPAT from recombinant human 5HT1A receptor stably expressed in CHO-K1 cell membranes measured after 60 mins by microbeta2 sc...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.9b00062
BindingDB Entry DOI: 10.7270/Q23F4T9H
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM433514
PNG
(US10562853, Compound 35)
Show SMILES Cc1cnc(OCCNCC2(F)CCN(CC2)C(=O)c2ccc(F)c(Cl)c2)nc1
Show InChI InChI=1S/C20H23ClF2N4O2/c1-14-11-25-19(26-12-14)29-9-6-24-13-20(23)4-7-27(8-5-20)18(28)15-2-3-17(22)16(21)10-15/h2-3,10-12,24H,4-9,13H2,1H3
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14n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]8-OH-DPAT from recombinant human 5HT1A receptor stably expressed in CHO-K1 cell membranes measured after 60 mins by microbeta2 sc...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.9b00062
BindingDB Entry DOI: 10.7270/Q23F4T9H
More data for this
Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))
BDBM433519
PNG
(US10562853, Compound 40)
Show SMILES Fc1ccc(cc1Cl)C(=O)N1CCC(F)(CNCCSc2ccccn2)CC1
Show InChI InChI=1S/C20H22ClF2N3OS/c21-16-13-15(4-5-17(16)22)19(27)26-10-6-20(23,7-11-26)14-24-9-12-28-18-3-1-2-8-25-18/h1-5,8,13,24H,6-7,9-12,14H2
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23n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-prazosin from alpha1 adrenergic receptor in rat cortex measured after 30 mins by microbeta2 scintillation counting method


Citation and Details

Article DOI: 10.1021/acs.jmedchem.9b00062
BindingDB Entry DOI: 10.7270/Q23F4T9H
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM433513
PNG
(US10562853, Compound 32)
Show SMILES Fc1ccc(cc1Cl)C(=O)N1CCC(F)(CNCCOc2ncccn2)CC1
Show InChI InChI=1S/C19H21ClF2N4O2/c20-15-12-14(2-3-16(15)21)17(27)26-9-4-19(22,5-10-26)13-23-8-11-28-18-24-6-1-7-25-18/h1-3,6-7,12,23H,4-5,8-11,13H2
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35n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]8-OH-DPAT from recombinant human 5HT1A receptor stably expressed in CHO-K1 cell membranes measured after 60 mins by microbeta2 sc...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.9b00062
BindingDB Entry DOI: 10.7270/Q23F4T9H
More data for this
Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))
BDBM433533
PNG
(US10562853, Compound 54)
Show SMILES Fc1ccc(cc1Cl)C(=O)N1CCC(F)(CNCCNc2ccccn2)CC1
Show InChI InChI=1S/C20H23ClF2N4O/c21-16-13-15(4-5-17(16)22)19(28)27-11-6-20(23,7-12-27)14-24-9-10-26-18-3-1-2-8-25-18/h1-5,8,13,24H,6-7,9-12,14H2,(H,25,26)
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55n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-prazosin from alpha1 adrenergic receptor in rat cortex measured after 30 mins by microbeta2 scintillation counting method


Citation and Details

Article DOI: 10.1021/acs.jmedchem.9b00062
BindingDB Entry DOI: 10.7270/Q23F4T9H
More data for this
Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))
BDBM433554
PNG
(US10562853, Compound 74)
Show SMILES FC1(CNCCOc2ccccn2)CCN(CC1)C(=O)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C20H22Cl2FN3O2/c21-16-5-4-15(13-17(16)22)19(27)26-10-6-20(23,7-11-26)14-24-9-12-28-18-3-1-2-8-25-18/h1-5,8,13,24H,6-7,9-12,14H2
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129n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-prazosin from alpha1 adrenergic receptor in rat cortex measured after 30 mins by microbeta2 scintillation counting method


Citation and Details

Article DOI: 10.1021/acs.jmedchem.9b00062
BindingDB Entry DOI: 10.7270/Q23F4T9H
More data for this
Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))
BDBM433501
PNG
(US10562853, Compound 18)
Show SMILES Fc1ccc(cc1Cl)C(=O)N1CCC(F)(CNCCOc2ccccn2)CC1
Show InChI InChI=1S/C20H22ClF2N3O2/c21-16-13-15(4-5-17(16)22)19(27)26-10-6-20(23,7-11-26)14-24-9-12-28-18-3-1-2-8-25-18/h1-5,8,13,24H,6-7,9-12,14H2
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166n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-prazosin from alpha1 adrenergic receptor in rat cortex measured after 30 mins by microbeta2 scintillation counting method


Citation and Details

Article DOI: 10.1021/acs.jmedchem.9b00062
BindingDB Entry DOI: 10.7270/Q23F4T9H
More data for this
Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))
BDBM433534
PNG
(US10562853, Compound 55)
Show SMILES Fc1ccc(cc1Cl)C(=O)N1CCC(F)(CNCCCc2ccccn2)CC1
Show InChI InChI=1S/C21H24ClF2N3O/c22-18-14-16(6-7-19(18)23)20(28)27-12-8-21(24,9-13-27)15-25-10-3-5-17-4-1-2-11-26-17/h1-2,4,6-7,11,14,25H,3,5,8-10,12-13,15H2
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178n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-prazosin from alpha1 adrenergic receptor in rat cortex measured after 30 mins by microbeta2 scintillation counting method


Citation and Details

Article DOI: 10.1021/acs.jmedchem.9b00062
BindingDB Entry DOI: 10.7270/Q23F4T9H
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50555497
PNG
(CHEMBL4753988)
Show SMILES Fc1ccc(cc1Cl)C(=O)N1CCC(F)(CNCCOc2ccnnc2)CC1
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200n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]8-OH-DPAT from recombinant human 5HT1A receptor stably expressed in CHO-K1 cell membranes measured after 60 mins by microbeta2 sc...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.9b00062
BindingDB Entry DOI: 10.7270/Q23F4T9H
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50555496
PNG
(CHEMBL4777084)
Show SMILES Fc1ccc(cc1Cl)C(=O)N1CCC(F)(CNCCOc2cncnc2)CC1
PDB

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209n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]8-OH-DPAT from recombinant human 5HT1A receptor stably expressed in CHO-K1 cell membranes measured after 60 mins by microbeta2 sc...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.9b00062
BindingDB Entry DOI: 10.7270/Q23F4T9H
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50555495
PNG
(CHEMBL4761382)
Show SMILES Fc1ccc(cc1Cl)C(=O)N1CCC(F)(CNCCOc2ccncc2)CC1
PDB

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389n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]8-OH-DPAT from recombinant human 5HT1A receptor stably expressed in CHO-K1 cell membranes measured after 60 mins by microbeta2 sc...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.9b00062
BindingDB Entry DOI: 10.7270/Q23F4T9H
More data for this
Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))
BDBM433474
PNG
(US10562853, Compound 1)
Show SMILES Fc1ccc(cc1Cl)C(=O)N1CCC(F)(CNCCOc2ccccc2)CC1
Show InChI InChI=1S/C21H23ClF2N2O2/c22-18-14-16(6-7-19(18)23)20(27)26-11-8-21(24,9-12-26)15-25-10-13-28-17-4-2-1-3-5-17/h1-7,14,25H,8-13,15H2
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513n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-prazosin from alpha1 adrenergic receptor in rat cortex measured after 30 mins by microbeta2 scintillation counting method


Citation and Details

Article DOI: 10.1021/acs.jmedchem.9b00062
BindingDB Entry DOI: 10.7270/Q23F4T9H
More data for this
Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))
BDBM433532
PNG
(US10562853, Compound 53)
Show SMILES Fc1ccc(cc1Cl)C(=O)N1CCC(F)(CNCCNc2ccccc2)CC1
Show InChI InChI=1S/C21H24ClF2N3O/c22-18-14-16(6-7-19(18)23)20(28)27-12-8-21(24,9-13-27)15-25-10-11-26-17-4-2-1-3-5-17/h1-7,14,25-26H,8-13,15H2
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<1.00E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-prazosin from alpha1 adrenergic receptor in rat cortex measured after 30 mins by microbeta2 scintillation counting method


Citation and Details

Article DOI: 10.1021/acs.jmedchem.9b00062
BindingDB Entry DOI: 10.7270/Q23F4T9H
More data for this
Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))
BDBM433536
PNG
(US10562853, Compound 59)
Show SMILES Fc1ccc(cc1Cl)C(=O)N1CCC(F)(CNCCCc2ccccc2)CC1
Show InChI InChI=1S/C22H25ClF2N2O/c23-19-15-18(8-9-20(19)24)21(28)27-13-10-22(25,11-14-27)16-26-12-4-7-17-5-2-1-3-6-17/h1-3,5-6,8-9,15,26H,4,7,10-14,16H2
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<1.00E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-prazosin from alpha1 adrenergic receptor in rat cortex measured after 30 mins by microbeta2 scintillation counting method


Citation and Details

Article DOI: 10.1021/acs.jmedchem.9b00062
BindingDB Entry DOI: 10.7270/Q23F4T9H
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM433514
PNG
(US10562853, Compound 35)
Show SMILES Cc1cnc(OCCNCC2(F)CCN(CC2)C(=O)c2ccc(F)c(Cl)c2)nc1
Show InChI InChI=1S/C20H23ClF2N4O2/c1-14-11-25-19(26-12-14)29-9-6-24-13-20(23)4-7-27(8-5-20)18(28)15-2-3-17(22)16(21)10-15/h2-3,10-12,24H,4-9,13H2,1H3
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<1.00E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-methylspiperone from recombinant human D2 receptor stably expressed in CHO-K1 cell membranes measured after 60 mins by microbeta...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.9b00062
BindingDB Entry DOI: 10.7270/Q23F4T9H
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM433503
PNG
(US10562853, Compound 21)
Show SMILES Cc1ccc(OCCNCC2(F)CCN(CC2)C(=O)c2ccc(F)c(Cl)c2)nc1
Show InChI InChI=1S/C21H24ClF2N3O2/c1-15-2-5-19(26-13-15)29-11-8-25-14-21(24)6-9-27(10-7-21)20(28)16-3-4-18(23)17(22)12-16/h2-5,12-13,25H,6-11,14H2,1H3
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<1.00E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-methylspiperone from recombinant human D2 receptor stably expressed in CHO-K1 cell membranes measured after 60 mins by microbeta...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.9b00062
BindingDB Entry DOI: 10.7270/Q23F4T9H
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50555497
PNG
(CHEMBL4753988)
Show SMILES Fc1ccc(cc1Cl)C(=O)N1CCC(F)(CNCCOc2ccnnc2)CC1
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<1.00E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-methylspiperone from recombinant human D2 receptor stably expressed in CHO-K1 cell membranes measured after 60 mins by microbeta...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.9b00062
BindingDB Entry DOI: 10.7270/Q23F4T9H
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50555496
PNG
(CHEMBL4777084)
Show SMILES Fc1ccc(cc1Cl)C(=O)N1CCC(F)(CNCCOc2cncnc2)CC1
PDB

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<1.00E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-methylspiperone from recombinant human D2 receptor stably expressed in CHO-K1 cell membranes measured after 60 mins by microbeta...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.9b00062
BindingDB Entry DOI: 10.7270/Q23F4T9H
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM433513
PNG
(US10562853, Compound 32)
Show SMILES Fc1ccc(cc1Cl)C(=O)N1CCC(F)(CNCCOc2ncccn2)CC1
Show InChI InChI=1S/C19H21ClF2N4O2/c20-15-12-14(2-3-16(15)21)17(27)26-9-4-19(22,5-10-26)13-23-8-11-28-18-24-6-1-7-25-18/h1-3,6-7,12,23H,4-5,8-11,13H2
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<1.00E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-methylspiperone from recombinant human D2 receptor stably expressed in CHO-K1 cell membranes measured after 60 mins by microbeta...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.9b00062
BindingDB Entry DOI: 10.7270/Q23F4T9H
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM433515
PNG
(US10562853, Compound 36)
Show SMILES Fc1ccc(cc1Cl)C(=O)N1CCC(F)(CNCCOc2cnccn2)CC1
Show InChI InChI=1S/C19H21ClF2N4O2/c20-15-11-14(1-2-16(15)21)18(27)26-8-3-19(22,4-9-26)13-24-7-10-28-17-12-23-5-6-25-17/h1-2,5-6,11-12,24H,3-4,7-10,13H2
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<1.00E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-methylspiperone from recombinant human D2 receptor stably expressed in CHO-K1 cell membranes measured after 60 mins by microbeta...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.9b00062
BindingDB Entry DOI: 10.7270/Q23F4T9H
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50555495
PNG
(CHEMBL4761382)
Show SMILES Fc1ccc(cc1Cl)C(=O)N1CCC(F)(CNCCOc2ccncc2)CC1
PDB

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<1.00E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-methylspiperone from recombinant human D2 receptor stably expressed in CHO-K1 cell membranes measured after 60 mins by microbeta...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.9b00062
BindingDB Entry DOI: 10.7270/Q23F4T9H
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM433502
PNG
(US10562853, Compound 19)
Show SMILES Fc1ccc(cc1Cl)C(=O)N1CCC(F)(CNCCOc2cccnc2)CC1
Show InChI InChI=1S/C20H22ClF2N3O2/c21-17-12-15(3-4-18(17)22)19(27)26-9-5-20(23,6-10-26)14-25-8-11-28-16-2-1-7-24-13-16/h1-4,7,12-13,25H,5-6,8-11,14H2
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<1.00E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-methylspiperone from recombinant human D2 receptor stably expressed in CHO-K1 cell membranes measured after 60 mins by microbeta...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.9b00062
BindingDB Entry DOI: 10.7270/Q23F4T9H
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50476734
PNG
(CHEMBL230963)
Show SMILES Cc1cnc(CNCC2(F)CCN(CC2)C(=O)c2ccc(F)c(Cl)c2)nc1
Show InChI InChI=1S/C19H21ClF2N4O/c1-13-9-24-17(25-10-13)11-23-12-19(22)4-6-26(7-5-19)18(27)14-2-3-16(21)15(20)8-14/h2-3,8-10,23H,4-7,11-12H2,1H3
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<1.00E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-methylspiperone from recombinant human D2 receptor stably expressed in CHO-K1 cell membranes measured after 60 mins by microbeta...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.9b00062
BindingDB Entry DOI: 10.7270/Q23F4T9H
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM433554
PNG
(US10562853, Compound 74)
Show SMILES FC1(CNCCOc2ccccn2)CCN(CC1)C(=O)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C20H22Cl2FN3O2/c21-16-5-4-15(13-17(16)22)19(27)26-10-6-20(23,7-11-26)14-24-9-12-28-18-3-1-2-8-25-18/h1-5,8,13,24H,6-7,9-12,14H2
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<1.00E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-methylspiperone from recombinant human D2 receptor stably expressed in CHO-K1 cell membranes measured after 60 mins by microbeta...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.9b00062
BindingDB Entry DOI: 10.7270/Q23F4T9H
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50555494
PNG
(CHEMBL4742112)
Show SMILES FC1(CNCCOc2ccccc2)CCN(CC1)C(=O)c1ccc(Cl)c(Cl)c1
PDB

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<1.00E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-methylspiperone from recombinant human D2 receptor stably expressed in CHO-K1 cell membranes measured after 60 mins by microbeta...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.9b00062
BindingDB Entry DOI: 10.7270/Q23F4T9H
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM433501
PNG
(US10562853, Compound 18)
Show SMILES Fc1ccc(cc1Cl)C(=O)N1CCC(F)(CNCCOc2ccccn2)CC1
Show InChI InChI=1S/C20H22ClF2N3O2/c21-16-13-15(4-5-17(16)22)19(27)26-10-6-20(23,7-11-26)14-24-9-12-28-18-3-1-2-8-25-18/h1-5,8,13,24H,6-7,9-12,14H2
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<1.00E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-methylspiperone from recombinant human D2 receptor stably expressed in CHO-K1 cell membranes measured after 60 mins by microbeta...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.9b00062
BindingDB Entry DOI: 10.7270/Q23F4T9H
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM433474
PNG
(US10562853, Compound 1)
Show SMILES Fc1ccc(cc1Cl)C(=O)N1CCC(F)(CNCCOc2ccccc2)CC1
Show InChI InChI=1S/C21H23ClF2N2O2/c22-18-14-16(6-7-19(18)23)20(27)26-11-8-21(24,9-12-26)15-25-10-13-28-17-4-2-1-3-5-17/h1-7,14,25H,8-13,15H2
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<1.00E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-methylspiperone from recombinant human D2 receptor stably expressed in CHO-K1 cell membranes measured after 60 mins by microbeta...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.9b00062
BindingDB Entry DOI: 10.7270/Q23F4T9H
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM433519
PNG
(US10562853, Compound 40)
Show SMILES Fc1ccc(cc1Cl)C(=O)N1CCC(F)(CNCCSc2ccccn2)CC1
Show InChI InChI=1S/C20H22ClF2N3OS/c21-16-13-15(4-5-17(16)22)19(27)26-10-6-20(23,7-11-26)14-24-9-12-28-18-3-1-2-8-25-18/h1-5,8,13,24H,6-7,9-12,14H2
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<1.00E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-methylspiperone from recombinant human D2 receptor stably expressed in CHO-K1 cell membranes measured after 60 mins by microbeta...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.9b00062
BindingDB Entry DOI: 10.7270/Q23F4T9H
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50555493
PNG
(CHEMBL4793515)
Show SMILES Fc1ccc(cc1Cl)C(=O)N1CCC(F)(CNCCSc2ccccc2)CC1
PDB

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<1.00E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-methylspiperone from recombinant human D2 receptor stably expressed in CHO-K1 cell membranes measured after 60 mins by microbeta...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.9b00062
BindingDB Entry DOI: 10.7270/Q23F4T9H
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM433533
PNG
(US10562853, Compound 54)
Show SMILES Fc1ccc(cc1Cl)C(=O)N1CCC(F)(CNCCNc2ccccn2)CC1
Show InChI InChI=1S/C20H23ClF2N4O/c21-16-13-15(4-5-17(16)22)19(28)27-11-6-20(23,7-12-27)14-24-9-10-26-18-3-1-2-8-25-18/h1-5,8,13,24H,6-7,9-12,14H2,(H,25,26)
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<1.00E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-methylspiperone from recombinant human D2 receptor stably expressed in CHO-K1 cell membranes measured after 60 mins by microbeta...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.9b00062
BindingDB Entry DOI: 10.7270/Q23F4T9H
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM433532
PNG
(US10562853, Compound 53)
Show SMILES Fc1ccc(cc1Cl)C(=O)N1CCC(F)(CNCCNc2ccccc2)CC1
Show InChI InChI=1S/C21H24ClF2N3O/c22-18-14-16(6-7-19(18)23)20(28)27-12-8-21(24,9-13-27)15-25-10-11-26-17-4-2-1-3-5-17/h1-7,14,25-26H,8-13,15H2
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<1.00E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-methylspiperone from recombinant human D2 receptor stably expressed in CHO-K1 cell membranes measured after 60 mins by microbeta...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.9b00062
BindingDB Entry DOI: 10.7270/Q23F4T9H
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM433536
PNG
(US10562853, Compound 59)
Show SMILES Fc1ccc(cc1Cl)C(=O)N1CCC(F)(CNCCCc2ccccc2)CC1
Show InChI InChI=1S/C22H25ClF2N2O/c23-19-15-18(8-9-20(19)24)21(28)27-13-10-22(25,11-14-27)16-26-12-4-7-17-5-2-1-3-6-17/h1-3,5-6,8-9,15,26H,4,7,10-14,16H2
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<1.00E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-methylspiperone from recombinant human D2 receptor stably expressed in CHO-K1 cell membranes measured after 60 mins by microbeta...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.9b00062
BindingDB Entry DOI: 10.7270/Q23F4T9H
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM433534
PNG
(US10562853, Compound 55)
Show SMILES Fc1ccc(cc1Cl)C(=O)N1CCC(F)(CNCCCc2ccccn2)CC1
Show InChI InChI=1S/C21H24ClF2N3O/c22-18-14-16(6-7-19(18)23)20(28)27-12-8-21(24,9-13-27)15-25-10-3-5-17-4-1-2-11-26-17/h1-2,4,6-7,11,14,25H,3,5,8-10,12-13,15H2
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<1.00E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-methylspiperone from recombinant human D2 receptor stably expressed in CHO-K1 cell membranes measured after 60 mins by microbeta...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.9b00062
BindingDB Entry DOI: 10.7270/Q23F4T9H
More data for this
Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))
BDBM433514
PNG
(US10562853, Compound 35)
Show SMILES Cc1cnc(OCCNCC2(F)CCN(CC2)C(=O)c2ccc(F)c(Cl)c2)nc1
Show InChI InChI=1S/C20H23ClF2N4O2/c1-14-11-25-19(26-12-14)29-9-6-24-13-20(23)4-7-27(8-5-20)18(28)15-2-3-17(22)16(21)10-15/h2-3,10-12,24H,4-9,13H2,1H3
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<1.00E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-prazosin from alpha1 adrenergic receptor in rat cortex measured after 30 mins by microbeta2 scintillation counting method


Citation and Details

Article DOI: 10.1021/acs.jmedchem.9b00062
BindingDB Entry DOI: 10.7270/Q23F4T9H
More data for this
Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))
BDBM50476734
PNG
(CHEMBL230963)
Show SMILES Cc1cnc(CNCC2(F)CCN(CC2)C(=O)c2ccc(F)c(Cl)c2)nc1
Show InChI InChI=1S/C19H21ClF2N4O/c1-13-9-24-17(25-10-13)11-23-12-19(22)4-6-26(7-5-19)18(27)14-2-3-16(21)15(20)8-14/h2-3,8-10,23H,4-7,11-12H2,1H3
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MCE
PC cid
PC sid
UniChem
Article
PubMed
<1.00E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-prazosin from alpha1 adrenergic receptor in rat cortex measured after 30 mins by microbeta2 scintillation counting method


Citation and Details

Article DOI: 10.1021/acs.jmedchem.9b00062
BindingDB Entry DOI: 10.7270/Q23F4T9H
More data for this
Ligand-Target Pair
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