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Compile Data Set for Download or QSAR

Found 292 hits with Last Name = 'doroz-p?onka' 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
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50274767
PNG
(CHEMBL4125735)
Show SMILES Clc1cccc(c1)S(=O)(=O)n1ccc2c(N[C@H]3CCNC3)nc3ccccc3c12 |r|
Show InChI InChI=1S/C21H19ClN4O2S/c22-14-4-3-5-16(12-14)29(27,28)26-11-9-18-20(26)17-6-1-2-7-19(17)25-21(18)24-15-8-10-23-13-15/h1-7,9,11-12,15,23H,8,10,13H2,(H,24,25)/t15-/m0/s1
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3n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114329
BindingDB Entry DOI: 10.7270/Q2RF6040
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50569815
PNG
(CHEMBL4873623)
Show SMILES CCC(Oc1cccc(Cl)c1Cl)c1nc(N)nc(n1)N1CCN(C)CC1
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6n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]LSD from human 5-HT6 receptor expressed in HEK293 cells incubated for 1 hr by microbeta counting method


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112529
BindingDB Entry DOI: 10.7270/Q2S46WR1
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50569820
PNG
(CHEMBL4860275)
Show SMILES CCC(Oc1cc(Cl)ccc1Cl)c1nc(N)nc(n1)N1CCN(C)CC1
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6n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to human 5-HT6 receptor expressed in HEK293 cells


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112529
BindingDB Entry DOI: 10.7270/Q2S46WR1
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50569820
PNG
(CHEMBL4860275)
Show SMILES CCC(Oc1cc(Cl)ccc1Cl)c1nc(N)nc(n1)N1CCN(C)CC1
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6n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]LSD from human 5-HT6 receptor expressed in HEK293 cells incubated for 1 hr by microbeta counting method


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112529
BindingDB Entry DOI: 10.7270/Q2S46WR1
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM35254
PNG
(2-methyl-4-(4-methylpiperazin-1-yl)-10H-thieno[2,3...)
Show SMILES CN1CCN(CC1)C1=Nc2ccccc2Nc2sc(C)cc12 |t:8|
Show InChI InChI=1S/C17H20N4S/c1-12-11-13-16(21-9-7-20(2)8-10-21)18-14-5-3-4-6-15(14)19-17(13)22-12/h3-6,11,19H,7-10H2,1-2H3
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7n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]LSD from human 5-HT6 receptor expressed in HEK293 cells incubated for 1 hr by microbeta counting method


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112529
BindingDB Entry DOI: 10.7270/Q2S46WR1
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM35254
PNG
(2-methyl-4-(4-methylpiperazin-1-yl)-10H-thieno[2,3...)
Show SMILES CN1CCN(CC1)C1=Nc2ccccc2Nc2sc(C)cc12 |t:8|
Show InChI InChI=1S/C17H20N4S/c1-12-11-13-16(21-9-7-20(2)8-10-21)18-14-5-3-4-6-15(14)19-17(13)22-12/h3-6,11,19H,7-10H2,1-2H3
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9n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-raclopride from human D2L receptor expressed in HEK293 cells measured after 1 hr by microbeta counting method


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112529
BindingDB Entry DOI: 10.7270/Q2S46WR1
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50281388
PNG
(CHEMBL4173258)
Show SMILES CN(CC#C)Cc1cc2cc(OCCCN3CCCCC3)ccc2n1C
Show InChI InChI=1S/C22H31N3O/c1-4-11-23(2)18-20-16-19-17-21(9-10-22(19)24(20)3)26-15-8-14-25-12-6-5-7-13-25/h1,9-10,16-17H,5-8,11-15,18H2,2-3H3
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11n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Binding affinity to human H3 receptor


Bioorg Med Chem Lett 28: 3596-3600 (2018)


Article DOI: 10.1016/j.bmcl.2018.10.048
BindingDB Entry DOI: 10.7270/Q26D5X88
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50569828
PNG
(CHEMBL4876727)
Show SMILES CCC(Oc1cc(Cl)cc(Cl)c1)c1nc(N)nc(n1)N1CCN(C)CC1
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11n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]LSD from human 5-HT6 receptor expressed in HEK293 cells incubated for 1 hr by microbeta counting method


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112529
BindingDB Entry DOI: 10.7270/Q2S46WR1
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50247053
PNG
(1-(3-(3-(4-chlorophenyl)propoxy)propyl)piperidine ...)
Show SMILES Clc1ccc(CCCOCCCN2CCCCC2)cc1
Show InChI InChI=1S/C17H26ClNO/c18-17-9-7-16(8-10-17)6-4-14-20-15-5-13-19-11-2-1-3-12-19/h7-10H,1-6,11-15H2
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12n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]N-alpha-Methylhistamine from recombinant human histamine H3 receptor expressed in human HEK293 cells incubated for 90 mins by mic...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112743
BindingDB Entry DOI: 10.7270/Q2P272S9
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50569821
PNG
(CHEMBL4858771)
Show SMILES CCCC(Oc1cc(Cl)ccc1Cl)c1nc(N)nc(n1)N1CCN(C)CC1
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12n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]LSD from human 5-HT6 receptor expressed in HEK293 cells incubated for 1 hr by microbeta counting method


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112529
BindingDB Entry DOI: 10.7270/Q2S46WR1
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50569819
PNG
(CHEMBL4846146)
Show SMILES CC(Oc1cc(Cl)ccc1Cl)c1nc(N)nc(n1)N1CCN(C)CC1
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13n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to human 5-HT6 receptor expressed in HEK293 cells


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112529
BindingDB Entry DOI: 10.7270/Q2S46WR1
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50569819
PNG
(CHEMBL4846146)
Show SMILES CC(Oc1cc(Cl)ccc1Cl)c1nc(N)nc(n1)N1CCN(C)CC1
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13n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]LSD from human 5-HT6 receptor expressed in HEK293 cells incubated for 1 hr by microbeta counting method


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112529
BindingDB Entry DOI: 10.7270/Q2S46WR1
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50569814
PNG
(CHEMBL4855393)
Show SMILES CC(Oc1cccc(Cl)c1Cl)c1nc(N)nc(n1)N1CCN(C)CC1
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16n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to human 5-HT6 receptor expressed in HEK293 cells


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112529
BindingDB Entry DOI: 10.7270/Q2S46WR1
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50569814
PNG
(CHEMBL4855393)
Show SMILES CC(Oc1cccc(Cl)c1Cl)c1nc(N)nc(n1)N1CCN(C)CC1
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16n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]LSD from human 5-HT6 receptor expressed in HEK293 cells incubated for 1 hr by microbeta counting method


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112529
BindingDB Entry DOI: 10.7270/Q2S46WR1
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50569822
PNG
(CHEMBL4864863)
Show SMILES CCCCC(Oc1cc(Cl)ccc1Cl)c1nc(N)nc(n1)N1CCN(C)CC1
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17n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]LSD from human 5-HT6 receptor expressed in HEK293 cells incubated for 1 hr by microbeta counting method


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112529
BindingDB Entry DOI: 10.7270/Q2S46WR1
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50569822
PNG
(CHEMBL4864863)
Show SMILES CCCCC(Oc1cc(Cl)ccc1Cl)c1nc(N)nc(n1)N1CCN(C)CC1
PDB

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


TBA

Assay Description
Binding affinity to human 5-HT6 receptor expressed in HEK293 cells


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112529
BindingDB Entry DOI: 10.7270/Q2S46WR1
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50569813
PNG
(CHEMBL4847379)
Show SMILES CCC(Oc1ccccc1)c1nc(N)nc(n1)N1CCN(C)CC1
PDB

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21n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]LSD from human 5-HT6 receptor expressed in HEK293 cells incubated for 1 hr by microbeta counting method


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112529
BindingDB Entry DOI: 10.7270/Q2S46WR1
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50516522
PNG
(CHEMBL4447416)
Show SMILES CC(Oc1ccccc1Cl)c1nc(N)nc(n1)N1CCN(C)CC1
Show InChI InChI=1S/C16H21ClN6O/c1-11(24-13-6-4-3-5-12(13)17)14-19-15(18)21-16(20-14)23-9-7-22(2)8-10-23/h3-6,11H,7-10H2,1-2H3,(H2,18,19,20,21)
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23n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]LSD from human 5-HT6 receptor expressed in HEK293 cells incubated for 1 hr by microbeta counting method


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112529
BindingDB Entry DOI: 10.7270/Q2S46WR1
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50569816
PNG
(CHEMBL4869411)
Show SMILES CCCC(Oc1cccc(Cl)c1Cl)c1nc(N)nc(n1)N1CCN(C)CC1
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23n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]LSD from human 5-HT6 receptor expressed in HEK293 cells incubated for 1 hr by microbeta counting method


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112529
BindingDB Entry DOI: 10.7270/Q2S46WR1
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50569829
PNG
(CHEMBL4864448)
Show SMILES CCCC(Oc1cc(Cl)cc(Cl)c1)c1nc(N)nc(n1)N1CCN(C)CC1
PDB

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26n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]LSD from human 5-HT6 receptor expressed in HEK293 cells incubated for 1 hr by microbeta counting method


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112529
BindingDB Entry DOI: 10.7270/Q2S46WR1
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50569827
PNG
(CHEMBL4860006)
Show SMILES CC(Oc1cc(Cl)cc(Cl)c1)c1nc(N)nc(n1)N1CCN(C)CC1
PDB

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27n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to human 5-HT6 receptor expressed in HEK293 cells


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112529
BindingDB Entry DOI: 10.7270/Q2S46WR1
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50569827
PNG
(CHEMBL4860006)
Show SMILES CC(Oc1cc(Cl)cc(Cl)c1)c1nc(N)nc(n1)N1CCN(C)CC1
PDB

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27n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]LSD from human 5-HT6 receptor expressed in HEK293 cells incubated for 1 hr by microbeta counting method


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112529
BindingDB Entry DOI: 10.7270/Q2S46WR1
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50247053
PNG
(1-(3-(3-(4-chlorophenyl)propoxy)propyl)piperidine ...)
Show SMILES Clc1ccc(CCCOCCCN2CCCCC2)cc1
Show InChI InChI=1S/C17H26ClNO/c18-17-9-7-16(8-10-17)6-4-14-20-15-5-13-19-11-2-1-3-12-19/h7-10H,1-6,11-15H2
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30n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]N-alpha-methylhistamine from recombinant human histamine H3 receptor expressed in CHO-K1 cells by microbeta scintillation analysi...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112743
BindingDB Entry DOI: 10.7270/Q2P272S9
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50405715
PNG
(CHEMBL4173079)
Show SMILES CCC(C)(C)c1ccc(OCCCN2CCCCC2)cc1
Show InChI InChI=1S/C19H21NO3S2/c1-12(11-24)18(21)20-10-16(9-17(20)19(22)23)25-15-7-6-13-4-2-3-5-14(13)8-15/h2-8,12,16-17,24H,9-11H2,1H3,(H,22,23)/t12-,16+,17+/m1/s1
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37n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-alpha-methylhistamine from human H3 receptor expressed in CHO-K1 cell membranes after 60 mins by microbeta2 scintillation coun...


Bioorg Med Chem Lett 28: 3596-3600 (2018)


Article DOI: 10.1016/j.bmcl.2018.10.048
BindingDB Entry DOI: 10.7270/Q26D5X88
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50569830
PNG
(CHEMBL4849077)
Show SMILES CCCCC(Oc1cc(Cl)cc(Cl)c1)c1nc(N)nc(n1)N1CCN(C)CC1
PDB

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51n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]LSD from human 5-HT6 receptor expressed in HEK293 cells incubated for 1 hr by microbeta counting method


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112529
BindingDB Entry DOI: 10.7270/Q2S46WR1
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50556119
PNG
(CHEMBL4757387)
Show SMILES CC1CCCN(CCCCCOc2ccc3oc4cc(Cl)ccc4c(=O)c3c2)C1
PDB

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56n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]N-alpha-methylhistamine from recombinant human histamine H3 receptor expressed in CHO-K1 cells by microbeta scintillation analysi...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112743
BindingDB Entry DOI: 10.7270/Q2P272S9
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50507184
PNG
(CHEMBL4561401)
Show SMILES CCC(C)(C)c1ccc(OCCCN2CCCC2)cc1
Show InChI InChI=1S/C18H29NO/c1-4-18(2,3)16-8-10-17(11-9-16)20-15-7-14-19-12-5-6-13-19/h8-11H,4-7,12-15H2,1-3H3
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63n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-alpha-methylhistamine from human H3 receptor expressed in CHO-K1 cell membranes after 60 mins by microbeta2 scintillation coun...


Bioorg Med Chem Lett 28: 3596-3600 (2018)


Article DOI: 10.1016/j.bmcl.2018.10.048
BindingDB Entry DOI: 10.7270/Q26D5X88
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50605024
PNG
(CHEMBL5183690)
Show SMILES Clc1cccc(c1)S(=O)(=O)n1ccc2c(N[C@H]3CCOC3)nc3ccccc3c12 |r|
PDB

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73n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114329
BindingDB Entry DOI: 10.7270/Q2RF6040
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50569817
PNG
(CHEMBL4873127)
Show SMILES CCCCC(Oc1cccc(Cl)c1Cl)c1nc(N)nc(n1)N1CCN(C)CC1
PDB

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73n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]LSD from human 5-HT6 receptor expressed in HEK293 cells incubated for 1 hr by microbeta counting method


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112529
BindingDB Entry DOI: 10.7270/Q2S46WR1
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50053435
PNG
(CHEMBL3323035)
Show SMILES C(COc1ccc2N=C3CCCN3Cc2c1)CN1CCCCC1 |t:7|
Show InChI InChI=1S/C19H27N3O/c1-2-9-21(10-3-1)11-5-13-23-17-7-8-18-16(14-17)15-22-12-4-6-19(22)20-18/h7-8,14H,1-6,9-13,15H2
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76n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-Histamine from human histamine H3 receptor expressed in Sf9 cells incubated for 60 mins by liquid scintillation counting method


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112743
BindingDB Entry DOI: 10.7270/Q2P272S9
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50569825
PNG
(CHEMBL4857676)
Show SMILES CCC(Oc1ccc(Cl)c(Cl)c1)c1nc(N)nc(n1)N1CCN(C)CC1
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86n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]LSD from human 5-HT6 receptor expressed in HEK293 cells incubated for 1 hr by microbeta counting method


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112529
BindingDB Entry DOI: 10.7270/Q2S46WR1
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50556131
PNG
(CHEMBL4789324)
Show SMILES Clc1ccc2c(c1)oc1ccc(OCCCCCN3CCCCCC3)cc1c2=O
PDB

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86n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]N-alpha-methylhistamine from recombinant human histamine H3 receptor expressed in CHO-K1 cells by microbeta scintillation analysi...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112743
BindingDB Entry DOI: 10.7270/Q2P272S9
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50569824
PNG
(CHEMBL4861431)
Show SMILES CC(Oc1ccc(Cl)c(Cl)c1)c1nc(N)nc(n1)N1CCN(C)CC1
PDB

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95n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]LSD from human 5-HT6 receptor expressed in HEK293 cells incubated for 1 hr by microbeta counting method


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112529
BindingDB Entry DOI: 10.7270/Q2S46WR1
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50556127
PNG
(CHEMBL4777210)
Show SMILES CC1CCN(CCCCCCOc2ccc3oc4ccccc4c(=O)c3c2)CC1
PDB

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97n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]N-alpha-methylhistamine from recombinant human histamine H3 receptor expressed in CHO-K1 cells by microbeta scintillation analysi...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112743
BindingDB Entry DOI: 10.7270/Q2P272S9
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50507165
PNG
(CHEMBL4560631)
Show SMILES CCC(C)(C)c1ccc(OCCCN2CCCC(C)C2)cc1
Show InChI InChI=1S/C20H33NO/c1-5-20(3,4)18-9-11-19(12-10-18)22-15-7-14-21-13-6-8-17(2)16-21/h9-12,17H,5-8,13-16H2,1-4H3
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100n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-alpha-methylhistamine from human H3 receptor expressed in CHO-K1 cell membranes after 60 mins by microbeta2 scintillation coun...


Bioorg Med Chem Lett 28: 3596-3600 (2018)


Article DOI: 10.1016/j.bmcl.2018.10.048
BindingDB Entry DOI: 10.7270/Q26D5X88
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50556121
PNG
(CHEMBL4796334)
Show SMILES CC1CCCN(CCCCCCOc2ccc3oc4ccccc4c(=O)c3c2)C1
PDB

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100n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]N-alpha-methylhistamine from recombinant human histamine H3 receptor expressed in CHO-K1 cells by microbeta scintillation analysi...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112743
BindingDB Entry DOI: 10.7270/Q2P272S9
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50556132
PNG
(CHEMBL4783624)
Show SMILES Clc1ccc2oc3ccc(OCCCCCN4CCCCCC4)cc3c(=O)c2c1
PDB

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100n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]N-alpha-methylhistamine from recombinant human histamine H3 receptor expressed in CHO-K1 cells by microbeta scintillation analysi...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112743
BindingDB Entry DOI: 10.7270/Q2P272S9
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50569822
PNG
(CHEMBL4864863)
Show SMILES CCCCC(Oc1cc(Cl)ccc1Cl)c1nc(N)nc(n1)N1CCN(C)CC1
PDB

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103n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-raclopride from human D2L receptor expressed in HEK293 cells measured after 1 hr by microbeta counting method


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112529
BindingDB Entry DOI: 10.7270/Q2S46WR1
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50556124
PNG
(CHEMBL4797681)
Show SMILES CC1CCN(CCCCCOc2ccc3oc4ccccc4c(=O)c3c2)CC1
PDB

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110n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]N-alpha-methylhistamine from recombinant human histamine H3 receptor expressed in CHO-K1 cells by microbeta scintillation analysi...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112743
BindingDB Entry DOI: 10.7270/Q2P272S9
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50507161
PNG
(CHEMBL4449671)
Show SMILES CCC(C)(C)c1ccc(OCCCN2C(C)CCCC2C)cc1
Show InChI InChI=1S/C21H35NO/c1-6-21(4,5)19-11-13-20(14-12-19)23-16-8-15-22-17(2)9-7-10-18(22)3/h11-14,17-18H,6-10,15-16H2,1-5H3
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140n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-alpha-methylhistamine from human H3 receptor expressed in CHO-K1 cell membranes after 60 mins by microbeta2 scintillation coun...


Bioorg Med Chem Lett 28: 3596-3600 (2018)


Article DOI: 10.1016/j.bmcl.2018.10.048
BindingDB Entry DOI: 10.7270/Q26D5X88
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50556126
PNG
(CHEMBL4786252)
Show SMILES CC1CCN(CCCCCOc2ccc3oc4ccc(Cl)cc4c(=O)c3c2)CC1
PDB

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140n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]N-alpha-methylhistamine from recombinant human histamine H3 receptor expressed in CHO-K1 cells by microbeta scintillation analysi...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112743
BindingDB Entry DOI: 10.7270/Q2P272S9
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50507164
PNG
(CHEMBL4473751)
Show SMILES CCC(C)(C)c1ccc(OCCCN2CCC(C)CC2)cc1
Show InChI InChI=1S/C20H33NO/c1-5-20(3,4)18-7-9-19(10-8-18)22-16-6-13-21-14-11-17(2)12-15-21/h7-10,17H,5-6,11-16H2,1-4H3
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147n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-alpha-methylhistamine from human H3 receptor expressed in CHO-K1 cell membranes after 60 mins by microbeta2 scintillation coun...


Bioorg Med Chem Lett 28: 3596-3600 (2018)


Article DOI: 10.1016/j.bmcl.2018.10.048
BindingDB Entry DOI: 10.7270/Q26D5X88
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50556120
PNG
(CHEMBL4784081)
Show SMILES CC1CCCN(CCCCCOc2ccc3oc4ccc(Cl)cc4c(=O)c3c2)C1
PDB

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148n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]N-alpha-methylhistamine from recombinant human histamine H3 receptor expressed in CHO-K1 cells by microbeta scintillation analysi...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112743
BindingDB Entry DOI: 10.7270/Q2P272S9
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50556114
PNG
(CHEMBL4798732)
Show SMILES Clc1ccc2oc3ccc(OCCCCCN4CCCCC4)cc3c(=O)c2c1
PDB

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150n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]N-alpha-methylhistamine from recombinant human histamine H3 receptor expressed in CHO-K1 cells by microbeta scintillation analysi...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112743
BindingDB Entry DOI: 10.7270/Q2P272S9
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50556118
PNG
(CHEMBL4759463)
Show SMILES CC1CCCN(CCCCCOc2ccc3oc4ccccc4c(=O)c3c2)C1
PDB

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156n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]N-alpha-methylhistamine from recombinant human histamine H3 receptor expressed in CHO-K1 cells by microbeta scintillation analysi...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112743
BindingDB Entry DOI: 10.7270/Q2P272S9
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50569827
PNG
(CHEMBL4860006)
Show SMILES CC(Oc1cc(Cl)cc(Cl)c1)c1nc(N)nc(n1)N1CCN(C)CC1
PDB

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157n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-raclopride from human D2L receptor expressed in HEK293 cells measured after 1 hr by microbeta counting method


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112529
BindingDB Entry DOI: 10.7270/Q2S46WR1
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50556130
PNG
(CHEMBL4797355)
Show SMILES O=c1c2ccccc2oc2ccc(OCCCCCN3CCCCCC3)cc12
PDB

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170n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]N-alpha-methylhistamine from recombinant human histamine H3 receptor expressed in CHO-K1 cells by microbeta scintillation analysi...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112743
BindingDB Entry DOI: 10.7270/Q2P272S9
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50556113
PNG
(CHEMBL4750579)
Show SMILES O=c1c2ccccc2oc2ccc(OCCCCCN3CCCCC3)cc12
PDB

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172n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]N-alpha-methylhistamine from recombinant human histamine H3 receptor expressed in CHO-K1 cells by microbeta scintillation analysi...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112743
BindingDB Entry DOI: 10.7270/Q2P272S9
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50556116
PNG
(CHEMBL4797867)
Show SMILES Clc1ccc2c(c1)oc1ccc(OCCCCCCN3CCCCC3)cc1c2=O
PDB

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203n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]N-alpha-methylhistamine from recombinant human histamine H3 receptor expressed in CHO-K1 cells by microbeta scintillation analysi...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112743
BindingDB Entry DOI: 10.7270/Q2P272S9
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50569818
PNG
(CHEMBL4860719)
Show SMILES CN1CCN(CC1)c1nc(N)nc(CCCOc2cccc(Cl)c2Cl)n1
PDB

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206n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-raclopride from human D2L receptor expressed in HEK293 cells measured after 1 hr by microbeta counting method


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112529
BindingDB Entry DOI: 10.7270/Q2S46WR1
More data for this
Ligand-Target Pair
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