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Compile Data Set for Download or QSAR

Found 55 hits with Last Name = 'koczurkiewicz-adamczyk' 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 6


(Homo sapiens (Human))
BDBM50044615
PNG
(CHEMBL3329435)
Show SMILES Cc1nc2c(cccc2n1S(=O)(=O)c1ccccc1)N1CCNCC1
Show InChI InChI=1S/C18H20N4O2S/c1-14-20-18-16(21-12-10-19-11-13-21)8-5-9-17(18)22(14)25(23,24)15-6-3-2-4-7-15/h2-9,19H,10-13H2,1H3
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0.5n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to 5HT6R (unknown origin)


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02009
BindingDB Entry DOI: 10.7270/Q2JQ14RQ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50562748
PNG
(CHEMBL4760105)
Show SMILES CCc1nc2c(nccc2n1S(=O)(=O)c1cccc(F)c1)N1CCNCC1
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1n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-LSD from human 5HT6R expressed in HEK293 cell membranes incubated for 1 hr by micro-beta plate reader based analysis


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02009
BindingDB Entry DOI: 10.7270/Q2JQ14RQ
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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1n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to 5-HT1A (unknown origin)


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127325
BindingDB Entry DOI: 10.7270/Q21V5JP1
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50562751
PNG
(CHEMBL4760545)
Show SMILES CC(C)c1nc2c(nccc2n1S(=O)(=O)c1cccc(F)c1)N1CCNCC1
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1n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-LSD from human 5HT6R expressed in HEK293 cell membranes incubated for 1 hr by micro-beta plate reader based analysis


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02009
BindingDB Entry DOI: 10.7270/Q2JQ14RQ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50562747
PNG
(CHEMBL4756814)
Show SMILES CCc1nc2c(nccc2n1S(=O)(=O)c1cccc(Cl)c1)N1CCNCC1
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1n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-LSD from human 5HT6R expressed in HEK293 cell membranes incubated for 1 hr by micro-beta plate reader based analysis


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02009
BindingDB Entry DOI: 10.7270/Q2JQ14RQ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50318633
PNG
(3-benzenesulfonyl-8-piperazin-1-ylquinoline | CHEM...)
Show SMILES O=S(=O)(c1ccccc1)c1cnc2c(cccc2c1)N1CCNCC1
Show InChI InChI=1S/C19H19N3O2S/c23-25(24,16-6-2-1-3-7-16)17-13-15-5-4-8-18(19(15)21-14-17)22-11-9-20-10-12-22/h1-8,13-14,20H,9-12H2
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1.40n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-LSD from human 5HT6R expressed in HEK293 cell membranes incubated for 1 hr by micro-beta plate reader based analysis


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02009
BindingDB Entry DOI: 10.7270/Q2JQ14RQ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50562749
PNG
(CHEMBL4756098)
Show SMILES CC(C)c1nc2c(nccc2n1S(=O)(=O)c1ccccc1)N1CCNCC1
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2n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-LSD from human 5HT6R expressed in HEK293 cell membranes incubated for 1 hr by micro-beta plate reader based analysis


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02009
BindingDB Entry DOI: 10.7270/Q2JQ14RQ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50562744
PNG
(CHEMBL4777550)
Show SMILES Clc1cccc(c1)S(=O)(=O)n1cnc2c(nccc12)N1CCNCC1
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2n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-LSD from human 5HT6R expressed in HEK293 cell membranes incubated for 1 hr by micro-beta plate reader based analysis


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02009
BindingDB Entry DOI: 10.7270/Q2JQ14RQ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50562750
PNG
(CHEMBL4742804)
Show SMILES CC(C)c1nc2c(nccc2n1S(=O)(=O)c1cccc(Cl)c1)N1CCNCC1
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3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-LSD from human 5HT6R expressed in HEK293 cell membranes incubated for 1 hr by micro-beta plate reader based analysis


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02009
BindingDB Entry DOI: 10.7270/Q2JQ14RQ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50562743
PNG
(CHEMBL4759927)
Show SMILES O=S(=O)(c1ccccc1)n1cnc2c(nccc12)N1CCNCC1
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3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-LSD from human 5HT6R expressed in HEK293 cell membranes incubated for 1 hr by micro-beta plate reader based analysis


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02009
BindingDB Entry DOI: 10.7270/Q2JQ14RQ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50562745
PNG
(CHEMBL4743983)
Show SMILES Fc1cccc(c1)S(=O)(=O)n1cnc2c(nccc12)N1CCNCC1
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3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-LSD from human 5HT6R expressed in HEK293 cell membranes incubated for 1 hr by micro-beta plate reader based analysis


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02009
BindingDB Entry DOI: 10.7270/Q2JQ14RQ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50291208
PNG
(CHEMBL4175829)
Show SMILES CCc1nc2c(ccnc2n1Cc1cccc(F)c1)N1CCNCC1
Show InChI InChI=1S/C19H22FN5/c1-2-17-23-18-16(24-10-8-21-9-11-24)6-7-22-19(18)25(17)13-14-4-3-5-15(20)12-14/h3-7,12,21H,2,8-11,13H2,1H3
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6n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to 5HT6R (unknown origin)


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02009
BindingDB Entry DOI: 10.7270/Q2JQ14RQ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50562746
PNG
(CHEMBL4756605)
Show SMILES COc1cccc(c1)S(=O)(=O)n1cnc2c(nccc12)N1CCNCC1
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10n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-LSD from human 5HT6R expressed in HEK293 cell membranes incubated for 1 hr by micro-beta plate reader based analysis


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02009
BindingDB Entry DOI: 10.7270/Q2JQ14RQ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50562754
PNG
(CHEMBL4799851)
Show SMILES Clc1cccc(c1)S(=O)(=O)n1c(nc2c(nccc12)N1CCNCC1)-c1ccccc1
PDB

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17n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-LSD from human 5HT6R expressed in HEK293 cell membranes incubated for 1 hr by micro-beta plate reader based analysis


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02009
BindingDB Entry DOI: 10.7270/Q2JQ14RQ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50562752
PNG
(CHEMBL4783584)
Show SMILES COc1cccc(c1)S(=O)(=O)n1c(nc2c(nccc12)N1CCNCC1)C(C)C
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23n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-LSD from human 5HT6R expressed in HEK293 cell membranes incubated for 1 hr by micro-beta plate reader based analysis


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02009
BindingDB Entry DOI: 10.7270/Q2JQ14RQ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50318633
PNG
(3-benzenesulfonyl-8-piperazin-1-ylquinoline | CHEM...)
Show SMILES O=S(=O)(c1ccccc1)c1cnc2c(cccc2c1)N1CCNCC1
Show InChI InChI=1S/C19H19N3O2S/c23-25(24,16-6-2-1-3-7-16)17-13-15-5-4-8-18(19(15)21-14-17)22-11-9-20-10-12-22/h1-8,13-14,20H,9-12H2
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26n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-8-OH-DPAT from human 5HT2A expressed in HEK293 cell membranes incubated for 1 hr by micro-beta plate reader based analysis


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02009
BindingDB Entry DOI: 10.7270/Q2JQ14RQ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50562755
PNG
(CHEMBL4746063)
Show SMILES Fc1cccc(c1)S(=O)(=O)n1c(nc2c(nccc12)N1CCNCC1)-c1ccccc1
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37n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-LSD from human 5HT6R expressed in HEK293 cell membranes incubated for 1 hr by micro-beta plate reader based analysis


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02009
BindingDB Entry DOI: 10.7270/Q2JQ14RQ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50562756
PNG
(CHEMBL4758494)
Show SMILES COc1cccc(c1)S(=O)(=O)n1c(nc2c(nccc12)N1CCNCC1)-c1ccccc1
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41n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-LSD from human 5HT6R expressed in HEK293 cell membranes incubated for 1 hr by micro-beta plate reader based analysis


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02009
BindingDB Entry DOI: 10.7270/Q2JQ14RQ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50562753
PNG
(CHEMBL4784080)
Show SMILES O=S(=O)(c1ccccc1)n1c(nc2c(nccc12)N1CCNCC1)-c1ccccc1
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119n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-LSD from human 5HT6R expressed in HEK293 cell membranes incubated for 1 hr by micro-beta plate reader based analysis


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02009
BindingDB Entry DOI: 10.7270/Q2JQ14RQ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50562747
PNG
(CHEMBL4756814)
Show SMILES CCc1nc2c(nccc2n1S(=O)(=O)c1cccc(Cl)c1)N1CCNCC1
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146n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-8-OH-DPAT from human 5HT1A expressed in HEK293 cell membranes incubated for 1 hr by micro-beta plate reader based analysis


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02009
BindingDB Entry DOI: 10.7270/Q2JQ14RQ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50562750
PNG
(CHEMBL4742804)
Show SMILES CC(C)c1nc2c(nccc2n1S(=O)(=O)c1cccc(Cl)c1)N1CCNCC1
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239n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-8-OH-DPAT from human 5HT2A expressed in HEK293 cell membranes incubated for 1 hr by micro-beta plate reader based analysis


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02009
BindingDB Entry DOI: 10.7270/Q2JQ14RQ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50562748
PNG
(CHEMBL4760105)
Show SMILES CCc1nc2c(nccc2n1S(=O)(=O)c1cccc(F)c1)N1CCNCC1
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264n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-8-OH-DPAT from human 5HT2A expressed in HEK293 cell membranes incubated for 1 hr by micro-beta plate reader based analysis


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02009
BindingDB Entry DOI: 10.7270/Q2JQ14RQ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50562744
PNG
(CHEMBL4777550)
Show SMILES Clc1cccc(c1)S(=O)(=O)n1cnc2c(nccc12)N1CCNCC1
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285n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-8-OH-DPAT from human 5HT1A expressed in HEK293 cell membranes incubated for 1 hr by micro-beta plate reader based analysis


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02009
BindingDB Entry DOI: 10.7270/Q2JQ14RQ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50562750
PNG
(CHEMBL4742804)
Show SMILES CC(C)c1nc2c(nccc2n1S(=O)(=O)c1cccc(Cl)c1)N1CCNCC1
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307n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-8-OH-DPAT from human 5HT1A expressed in HEK293 cell membranes incubated for 1 hr by micro-beta plate reader based analysis


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02009
BindingDB Entry DOI: 10.7270/Q2JQ14RQ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50562744
PNG
(CHEMBL4777550)
Show SMILES Clc1cccc(c1)S(=O)(=O)n1cnc2c(nccc12)N1CCNCC1
PDB

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355n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-8-OH-DPAT from human 5HT2A expressed in HEK293 cell membranes incubated for 1 hr by micro-beta plate reader based analysis


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02009
BindingDB Entry DOI: 10.7270/Q2JQ14RQ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50562754
PNG
(CHEMBL4799851)
Show SMILES Clc1cccc(c1)S(=O)(=O)n1c(nc2c(nccc12)N1CCNCC1)-c1ccccc1
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410n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-8-OH-DPAT from human 5HT2A expressed in HEK293 cell membranes incubated for 1 hr by micro-beta plate reader based analysis


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02009
BindingDB Entry DOI: 10.7270/Q2JQ14RQ
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50562744
PNG
(CHEMBL4777550)
Show SMILES Clc1cccc(c1)S(=O)(=O)n1cnc2c(nccc12)N1CCNCC1
PDB

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456n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-raclopride from human D2L expressed in CHO-K1 cell membranes incubated for 1 hr by micro-beta plate reader based analysis


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02009
BindingDB Entry DOI: 10.7270/Q2JQ14RQ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50562747
PNG
(CHEMBL4756814)
Show SMILES CCc1nc2c(nccc2n1S(=O)(=O)c1cccc(Cl)c1)N1CCNCC1
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562n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-8-OH-DPAT from human 5HT2A expressed in HEK293 cell membranes incubated for 1 hr by micro-beta plate reader based analysis


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02009
BindingDB Entry DOI: 10.7270/Q2JQ14RQ
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50562748
PNG
(CHEMBL4760105)
Show SMILES CCc1nc2c(nccc2n1S(=O)(=O)c1cccc(F)c1)N1CCNCC1
PDB

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689n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-raclopride from human D2L expressed in CHO-K1 cell membranes incubated for 1 hr by micro-beta plate reader based analysis


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02009
BindingDB Entry DOI: 10.7270/Q2JQ14RQ
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50562754
PNG
(CHEMBL4799851)
Show SMILES Clc1cccc(c1)S(=O)(=O)n1c(nc2c(nccc12)N1CCNCC1)-c1ccccc1
PDB

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742n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-raclopride from human D2L expressed in CHO-K1 cell membranes incubated for 1 hr by micro-beta plate reader based analysis


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02009
BindingDB Entry DOI: 10.7270/Q2JQ14RQ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50562748
PNG
(CHEMBL4760105)
Show SMILES CCc1nc2c(nccc2n1S(=O)(=O)c1cccc(F)c1)N1CCNCC1
PDB

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829n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-8-OH-DPAT from human 5HT1A expressed in HEK293 cell membranes incubated for 1 hr by micro-beta plate reader based analysis


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02009
BindingDB Entry DOI: 10.7270/Q2JQ14RQ
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50562747
PNG
(CHEMBL4756814)
Show SMILES CCc1nc2c(nccc2n1S(=O)(=O)c1cccc(Cl)c1)N1CCNCC1
PDB

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886n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-raclopride from human D2L expressed in CHO-K1 cell membranes incubated for 1 hr by micro-beta plate reader based analysis


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02009
BindingDB Entry DOI: 10.7270/Q2JQ14RQ
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50318633
PNG
(3-benzenesulfonyl-8-piperazin-1-ylquinoline | CHEM...)
Show SMILES O=S(=O)(c1ccccc1)c1cnc2c(cccc2c1)N1CCNCC1
Show InChI InChI=1S/C19H19N3O2S/c23-25(24,16-6-2-1-3-7-16)17-13-15-5-4-8-18(19(15)21-14-17)22-11-9-20-10-12-22/h1-8,13-14,20H,9-12H2
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997n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-raclopride from human D2L expressed in CHO-K1 cell membranes incubated for 1 hr by micro-beta plate reader based analysis


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02009
BindingDB Entry DOI: 10.7270/Q2JQ14RQ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50559958
PNG
(CHEMBL4746216)
Show SMILES Cc1cc(C)c(C)c(OCCN[C@@H]2CCCC[C@H]2O)c1 |r|
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1.01E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to 5-HT1A (unknown origin)


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127325
BindingDB Entry DOI: 10.7270/Q21V5JP1
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50562754
PNG
(CHEMBL4799851)
Show SMILES Clc1cccc(c1)S(=O)(=O)n1c(nc2c(nccc12)N1CCNCC1)-c1ccccc1
PDB

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1.09E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-8-OH-DPAT from human 5HT1A expressed in HEK293 cell membranes incubated for 1 hr by micro-beta plate reader based analysis


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02009
BindingDB Entry DOI: 10.7270/Q2JQ14RQ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50559962
PNG
(CHEMBL4749917)
Show SMILES Cl.Cc1cc(C)c(C)c(OCCOCCN[C@H]2CCCC[C@@H]2O)c1 |r|
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1.20E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to 5-HT1A (unknown origin)


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127325
BindingDB Entry DOI: 10.7270/Q21V5JP1
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50562750
PNG
(CHEMBL4742804)
Show SMILES CC(C)c1nc2c(nccc2n1S(=O)(=O)c1cccc(Cl)c1)N1CCNCC1
PDB

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1.33E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-raclopride from human D2L expressed in CHO-K1 cell membranes incubated for 1 hr by micro-beta plate reader based analysis


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02009
BindingDB Entry DOI: 10.7270/Q2JQ14RQ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50318633
PNG
(3-benzenesulfonyl-8-piperazin-1-ylquinoline | CHEM...)
Show SMILES O=S(=O)(c1ccccc1)c1cnc2c(cccc2c1)N1CCNCC1
Show InChI InChI=1S/C19H19N3O2S/c23-25(24,16-6-2-1-3-7-16)17-13-15-5-4-8-18(19(15)21-14-17)22-11-9-20-10-12-22/h1-8,13-14,20H,9-12H2
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2.37E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-8-OH-DPAT from human 5HT1A expressed in HEK293 cell membranes incubated for 1 hr by micro-beta plate reader based analysis


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02009
BindingDB Entry DOI: 10.7270/Q2JQ14RQ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50559960
PNG
(CHEMBL4745331)
Show SMILES Cc1cc(C)c(OCCCN[C@@H]2CCCC[C@H]2O)c(C)c1 |r|
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2.37E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to 5-HT1A (unknown origin)


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127325
BindingDB Entry DOI: 10.7270/Q21V5JP1
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50562754
PNG
(CHEMBL4799851)
Show SMILES Clc1cccc(c1)S(=O)(=O)n1c(nc2c(nccc12)N1CCNCC1)-c1ccccc1
PDB

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3.08E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-5-CT from human 5HT7b expressed in HEK293 cell membranes incubated for 1 hr by micro-beta plate reader based analysis


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02009
BindingDB Entry DOI: 10.7270/Q2JQ14RQ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50559959
PNG
(CHEMBL4795845)
Show SMILES Cl.Cc1cc(C)c(OCCCN2CCCC(O)C2)c(C)c1
PDB

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3.39E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to 5-HT1A (unknown origin)


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127325
BindingDB Entry DOI: 10.7270/Q21V5JP1
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50562747
PNG
(CHEMBL4756814)
Show SMILES CCc1nc2c(nccc2n1S(=O)(=O)c1cccc(Cl)c1)N1CCNCC1
PDB

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3.76E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-5-CT from human 5HT7b expressed in HEK293 cell membranes incubated for 1 hr by micro-beta plate reader based analysis


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02009
BindingDB Entry DOI: 10.7270/Q2JQ14RQ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50562750
PNG
(CHEMBL4742804)
Show SMILES CC(C)c1nc2c(nccc2n1S(=O)(=O)c1cccc(Cl)c1)N1CCNCC1
PDB

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3.90E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-5-CT from human 5HT7b expressed in HEK293 cell membranes incubated for 1 hr by micro-beta plate reader based analysis


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02009
BindingDB Entry DOI: 10.7270/Q2JQ14RQ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50562748
PNG
(CHEMBL4760105)
Show SMILES CCc1nc2c(nccc2n1S(=O)(=O)c1cccc(F)c1)N1CCNCC1
PDB

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4.30E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-5-CT from human 5HT7b expressed in HEK293 cell membranes incubated for 1 hr by micro-beta plate reader based analysis


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02009
BindingDB Entry DOI: 10.7270/Q2JQ14RQ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50559961
PNG
(CHEMBL4289400)
Show SMILES C[C@H](CO)NCCOCCOc1ccc(C)cc1C |r|
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4.80E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to 5-HT1A (unknown origin)


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127325
BindingDB Entry DOI: 10.7270/Q21V5JP1
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50562744
PNG
(CHEMBL4777550)
Show SMILES Clc1cccc(c1)S(=O)(=O)n1cnc2c(nccc12)N1CCNCC1
PDB

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6.64E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-5-CT from human 5HT7b expressed in HEK293 cell membranes incubated for 1 hr by micro-beta plate reader based analysis


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02009
BindingDB Entry DOI: 10.7270/Q2JQ14RQ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50318633
PNG
(3-benzenesulfonyl-8-piperazin-1-ylquinoline | CHEM...)
Show SMILES O=S(=O)(c1ccccc1)c1cnc2c(cccc2c1)N1CCNCC1
Show InChI InChI=1S/C19H19N3O2S/c23-25(24,16-6-2-1-3-7-16)17-13-15-5-4-8-18(19(15)21-14-17)22-11-9-20-10-12-22/h1-8,13-14,20H,9-12H2
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1.42E+4n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-5-CT from human 5HT7b expressed in HEK293 cell membranes incubated for 1 hr by micro-beta plate reader based analysis


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02009
BindingDB Entry DOI: 10.7270/Q2JQ14RQ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50318633
PNG
(3-benzenesulfonyl-8-piperazin-1-ylquinoline | CHEM...)
Show SMILES O=S(=O)(c1ccccc1)c1cnc2c(cccc2c1)N1CCNCC1
Show InChI InChI=1S/C19H19N3O2S/c23-25(24,16-6-2-1-3-7-16)17-13-15-5-4-8-18(19(15)21-14-17)22-11-9-20-10-12-22/h1-8,13-14,20H,9-12H2
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n/an/a 2.80n/an/an/an/an/an/a


TBA

Assay Description
Inverse agonist activity at 5HT6R (unknown origin) expressed in 1321N1 cells co-expressing CAMYEL assessed as reduction in basal cAMP accumulation by...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02009
BindingDB Entry DOI: 10.7270/Q2JQ14RQ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50562750
PNG
(CHEMBL4742804)
Show SMILES CC(C)c1nc2c(nccc2n1S(=O)(=O)c1cccc(Cl)c1)N1CCNCC1
PDB

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n/an/a 5.20n/an/an/an/an/an/a


TBA

Assay Description
Neutral antagonist activity at 5HT6R (unknown origin) expressed in 1321N1 cells co-expressing CAMYEL assessed as inhibition of WAY181187-induced cAMP...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02009
BindingDB Entry DOI: 10.7270/Q2JQ14RQ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50562747
PNG
(CHEMBL4756814)
Show SMILES CCc1nc2c(nccc2n1S(=O)(=O)c1cccc(Cl)c1)N1CCNCC1
PDB

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n/an/a 5.40n/an/an/an/an/an/a


TBA

Assay Description
Neutral antagonist activity at 5HT6R (unknown origin) expressed in 1321N1 cells co-expressing CAMYEL assessed as inhibition of WAY181187-induced cAMP...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02009
BindingDB Entry DOI: 10.7270/Q2JQ14RQ
More data for this
Ligand-Target Pair
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