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Compile Data Set for Download or QSAR

Found 935 hits with Last Name = 'ko?aczkowski' and Initial = 'm'   
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))
BDBM50579331
PNG
(CHEMBL4852099)
Show SMILES Fc1ccc(CNCCNCCOc2cccc3n(ccc23)S(=O)(=O)c2ccccc2)cc1
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0.100n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-LSD from human 5HT6R expressed in CHO-K1 cell membranes incubated for 1 hr by scintillation counter method


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113783
BindingDB Entry DOI: 10.7270/Q21V5JSC
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50551387
PNG
(CHEMBL4747225)
Show SMILES O=S(=O)(N[C@@H]1CCN(CCCc2noc3ccccc23)C1)c1ccc2ccccc2c1 |r|
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0.200n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-methylspiperone from recombinant human D2 receptor expressed in CHOK1 cell membranes measured after 60 mins by microbeta countin...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112149
BindingDB Entry DOI: 10.7270/Q2GX4G68
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50510895
PNG
(CHEMBL4591601)
Show SMILES COc1ccc(\C=C2/NC(=O)N(CCCCN3CCN(CC3)c3cccc(Cl)c3Cl)C2=O)cc1OC
Show InChI InChI=1S/C26H30Cl2N4O4/c1-35-22-9-8-18(17-23(22)36-2)16-20-25(33)32(26(34)29-20)11-4-3-10-30-12-14-31(15-13-30)21-7-5-6-19(27)24(21)28/h5-9,16-17H,3-4,10-15H2,1-2H3,(H,29,34)/b20-16-
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0.200n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]-8-OH-DPAT from human recombinant 5-HT1A receptor expressed in HEK293 cells incubated for 60 mins by microbeta2 scintillation cou...


Bioorg Med Chem 27: 4163-4173 (2019)


Article DOI: 10.1016/j.bmc.2019.07.046
BindingDB Entry DOI: 10.7270/Q2VT1WD5
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50551376
PNG
(CHEMBL4753094)
Show SMILES O=S(=O)(N[C@H]1CCN(CCCc2noc3ccccc23)C1)c1cc2ccccc2o1 |r|
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0.245n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-ketanserin from recombinant human 5HT2A receptor expressed in CHOK1 cell membranes measured after 1 hr by microbeta counting met...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112149
BindingDB Entry DOI: 10.7270/Q2GX4G68
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50551387
PNG
(CHEMBL4747225)
Show SMILES O=S(=O)(N[C@@H]1CCN(CCCc2noc3ccccc23)C1)c1ccc2ccccc2c1 |r|
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0.245n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-ketanserin from recombinant human 5HT2A receptor expressed in CHOK1 cell membranes measured after 1 hr by microbeta counting met...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112149
BindingDB Entry DOI: 10.7270/Q2GX4G68
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50551379
PNG
(CHEMBL4759492)
Show SMILES Cn1ccc2cc(ccc12)S(=O)(=O)N[C@@H]1CCN(CCCc2noc3ccccc23)C1 |r|
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0.245n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-ketanserin from recombinant human 5HT2A receptor expressed in CHOK1 cell membranes measured after 1 hr by microbeta counting met...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112149
BindingDB Entry DOI: 10.7270/Q2GX4G68
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM78940
PNG
(METHIOTHEPIN | MLS000859918 | Methiothepin mesylat...)
Show SMILES CSc1ccc2Sc3ccccc3CC(N3CCN(C)CC3)c2c1
Show InChI InChI=1S/C20H24N2S2/c1-21-9-11-22(12-10-21)18-13-15-5-3-4-6-19(15)24-20-8-7-16(23-2)14-17(18)20/h3-8,14,18H,9-13H2,1-2H3
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0.300n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]LSD from human 5HT6 receptor expressed in CHO-K1 membrane incubated for 60 mins by solid scintillation counting analysis


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113792
BindingDB Entry DOI: 10.7270/Q2514325
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50574183
PNG
(CHEMBL4855991)
Show SMILES CC(=O)Nc1ccc(CNCCOc2cccc3n(ccc23)S(=O)(=O)c2ccccc2)cc1
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0.300n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]LSD from human 5HT6 receptor expressed in CHO-K1 membrane incubated for 60 mins by solid scintillation counting analysis


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113792
BindingDB Entry DOI: 10.7270/Q2514325
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50258433
PNG
(CHEMBL4062817)
Show SMILES Fc1ccc2[nH]cc(C3=CCN(CCCCNS(=O)(=O)c4ccc5ccccc5c4)CC3)c2c1 |t:8|
Show InChI InChI=1S/C27H28FN3O2S/c28-23-8-10-27-25(18-23)26(19-29-27)21-11-15-31(16-12-21)14-4-3-13-30-34(32,33)24-9-7-20-5-1-2-6-22(20)17-24/h1-2,5-11,17-19,29-30H,3-4,12-16H2
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0.300n/an/an/an/an/an/an/an/a



Faculty of Pharmacy, Jagiellonian University Medical College , 9 Medyczna Street, 30-688 Kraków, Poland.

Curated by ChEMBL


Assay Description
Displacement of [3H]-methylspiperone from human D2 receptor expressed in CHO-K1 cells after 60 mins by scintillation counting


J Med Chem 60: 7483-7501 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00839
BindingDB Entry DOI: 10.7270/Q2K939ZD
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM78940
PNG
(METHIOTHEPIN | MLS000859918 | Methiothepin mesylat...)
Show SMILES CSc1ccc2Sc3ccccc3CC(N3CCN(C)CC3)c2c1
Show InChI InChI=1S/C20H24N2S2/c1-21-9-11-22(12-10-21)18-13-15-5-3-4-6-19(15)24-20-8-7-16(23-2)14-17(18)20/h3-8,14,18H,9-13H2,1-2H3
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0.300n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-LSD from human 5HT6R expressed in CHO-K1 cell membranes incubated for 1 hr by scintillation counter method


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113783
BindingDB Entry DOI: 10.7270/Q21V5JSC
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50551386
PNG
(CHEMBL4763085)
Show SMILES O=S(=O)(N[C@H]1CCN(CCCc2noc3ccccc23)C1)c1ccc2ccccc2c1 |r|
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0.331n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-ketanserin from recombinant human 5HT2A receptor expressed in CHOK1 cell membranes measured after 1 hr by microbeta counting met...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112149
BindingDB Entry DOI: 10.7270/Q2GX4G68
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50551377
PNG
(CHEMBL4764006)
Show SMILES O=S(=O)(N[C@@H]1CCN(CCCc2noc3ccccc23)C1)c1cc2ccccc2o1 |r|
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0.347n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-ketanserin from recombinant human 5HT2A receptor expressed in CHOK1 cell membranes measured after 1 hr by microbeta counting met...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112149
BindingDB Entry DOI: 10.7270/Q2GX4G68
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50551369
PNG
(CHEMBL4754193)
Show SMILES Fc1ccc2cc(sc2c1)S(=O)(=O)N[C@@H]1CCN(CCCc2noc3ccccc23)C1 |r|
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0.398n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-ketanserin from recombinant human 5HT2A receptor expressed in CHOK1 cell membranes measured after 1 hr by microbeta counting met...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112149
BindingDB Entry DOI: 10.7270/Q2GX4G68
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50574192
PNG
(CHEMBL4850738)
Show SMILES O=S(=O)(c1ccccc1)n1ccc2c(OCCNCc3ccccn3)cccc12
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0.400n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]LSD from human 5HT6 receptor expressed in CHO-K1 membrane incubated for 60 mins by solid scintillation counting analysis


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113792
BindingDB Entry DOI: 10.7270/Q2514325
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50551375
PNG
(CHEMBL4793608)
Show SMILES O=S(=O)(N[C@@H]1CCN(CCCc2noc3ccccc23)C1)c1csc2ccccc12 |r|
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0.417n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-ketanserin from recombinant human 5HT2A receptor expressed in CHOK1 cell membranes measured after 1 hr by microbeta counting met...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112149
BindingDB Entry DOI: 10.7270/Q2GX4G68
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50551390
PNG
(CHEMBL4754138)
Show SMILES O=S(=O)(N[C@@H]1CCN(CCCc2noc3ccccc23)C1)c1cccc2ccccc12 |r|
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0.447n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-ketanserin from recombinant human 5HT2A receptor expressed in CHOK1 cell membranes measured after 1 hr by microbeta counting met...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112149
BindingDB Entry DOI: 10.7270/Q2GX4G68
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50551373
PNG
(CHEMBL4795995)
Show SMILES O=S(=O)(N[C@@H]1CCN(CCCc2noc3ccccc23)C1)c1cc2ccccc2s1 |r|
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0.447n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-methylspiperone from recombinant human D2 receptor expressed in CHOK1 cell membranes measured after 60 mins by microbeta countin...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112149
BindingDB Entry DOI: 10.7270/Q2GX4G68
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50551378
PNG
(CHEMBL4785434)
Show SMILES Cn1ccc2cc(ccc12)S(=O)(=O)N[C@H]1CCN(CCCc2noc3ccccc23)C1 |r|
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0.447n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-ketanserin from recombinant human 5HT2A receptor expressed in CHOK1 cell membranes measured after 1 hr by microbeta counting met...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112149
BindingDB Entry DOI: 10.7270/Q2GX4G68
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50176065
PNG
(4-DAMP | 4-Diphenylacetoxy-1,1-dimethyl-piperidini...)
Show SMILES C[N+]1(C)CCC(CC1)OC(=O)C(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C21H26NO2/c1-22(2)15-13-19(14-16-22)24-21(23)20(17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-12,19-20H,13-16H2,1-2H3/q+1
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0.447n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]4-DAMP from human recombinant M3 receptor mins by scintillation counting analysis relative to control


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112149
BindingDB Entry DOI: 10.7270/Q2GX4G68
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50574176
PNG
(CHEMBL4866390)
Show SMILES COc1ccc(CNCCOc2cccc3n(ccc23)S(=O)(=O)c2ccccc2)cc1OC
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0.5n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]LSD from human 5HT6 receptor expressed in CHO-K1 membrane incubated for 60 mins by solid scintillation counting analysis


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113792
BindingDB Entry DOI: 10.7270/Q2514325
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50574177
PNG
(CHEMBL4871652)
Show SMILES O=S(=O)(c1ccccc1)n1ccc2c(OCCNCc3ccc4OCCOc4c3)cccc12
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0.5n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]LSD from human 5HT6 receptor expressed in CHO-K1 membrane incubated for 60 mins by solid scintillation counting analysis


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113792
BindingDB Entry DOI: 10.7270/Q2514325
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM78940
PNG
(METHIOTHEPIN | MLS000859918 | Methiothepin mesylat...)
Show SMILES CSc1ccc2Sc3ccccc3CC(N3CCN(C)CC3)c2c1
Show InChI InChI=1S/C20H24N2S2/c1-21-9-11-22(12-10-21)18-13-15-5-3-4-6-19(15)24-20-8-7-16(23-2)14-17(18)20/h3-8,14,18H,9-13H2,1-2H3
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0.550n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-LSD from recombinant human 5HT7 receptor expressed in CHOK1 cell membranes measured after 120 mins by microbeta counting method


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112149
BindingDB Entry DOI: 10.7270/Q2GX4G68
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50551396
PNG
(CHEMBL4748379)
Show SMILES Cc1ccc2sc(cc2c1)S(=O)(=O)N[C@@H]1CCN(CCCc2noc3ccccc23)C1 |r|
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0.589n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-ketanserin from recombinant human 5HT2A receptor expressed in CHOK1 cell membranes measured after 1 hr by microbeta counting met...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112149
BindingDB Entry DOI: 10.7270/Q2GX4G68
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50258402
PNG
(CHEMBL4065568)
Show SMILES Cc1cccc(c1)S(=O)(=O)NCCN1CCC(=CC1)c1c[nH]c2ccc(Cl)cc12 |c:17|
Show InChI InChI=1S/C22H24ClN3O2S/c1-16-3-2-4-19(13-16)29(27,28)25-9-12-26-10-7-17(8-11-26)21-15-24-22-6-5-18(23)14-20(21)22/h2-7,13-15,24-25H,8-12H2,1H3
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0.600n/an/an/an/an/an/an/an/a



Faculty of Pharmacy, Jagiellonian University Medical College , 9 Medyczna Street, 30-688 Kraków, Poland.

Curated by ChEMBL


Assay Description
Displacement of [3H]-LSD from human 5-HT7 receptor expressed in CHO-K1 cell membranes after 120 mins by scintillation counting


J Med Chem 60: 7483-7501 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00839
BindingDB Entry DOI: 10.7270/Q2K939ZD
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50551392
PNG
(CHEMBL4747978)
Show SMILES Cc1c(sc2ccc(F)cc12)S(=O)(=O)N[C@@H]1CCN(CCCc2noc3ccccc23)C1 |r|
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0.631n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-methylspiperone from recombinant human D2 receptor expressed in CHOK1 cell membranes measured after 60 mins by microbeta countin...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112149
BindingDB Entry DOI: 10.7270/Q2GX4G68
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50258409
PNG
(CHEMBL4092243)
Show SMILES Fc1ccc2[nH]cc(C3=CCN(CCCNS(=O)(=O)c4ccc5ccccc5c4)CC3)c2c1 |t:8|
Show InChI InChI=1S/C26H26FN3O2S/c27-22-7-9-26-24(17-22)25(18-28-26)20-10-14-30(15-11-20)13-3-12-29-33(31,32)23-8-6-19-4-1-2-5-21(19)16-23/h1-2,4-10,16-18,28-29H,3,11-15H2
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0.700n/an/an/an/an/an/an/an/a



Faculty of Pharmacy, Jagiellonian University Medical College , 9 Medyczna Street, 30-688 Kraków, Poland.

Curated by ChEMBL


Assay Description
Displacement of [3H]-methylspiperone from human D2 receptor expressed in CHO-K1 cells after 60 mins by scintillation counting


J Med Chem 60: 7483-7501 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00839
BindingDB Entry DOI: 10.7270/Q2K939ZD
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50457575
PNG
(CHEMBL3979261)
Show SMILES Cl.COc1ccccc1N1CCN(CCCOc2c(C)cccc2C)CC1
Show InChI InChI=1S/C22H30N2O2/c1-18-8-6-9-19(2)22(18)26-17-7-12-23-13-15-24(16-14-23)20-10-4-5-11-21(20)25-3/h4-6,8-11H,7,12-17H2,1-3H3
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0.700n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from Wistar rat 5-HT1A receptor after 20 mins by liquid scintillation counting method


Bioorg Med Chem Lett 28: 2039-2049 (2018)


Article DOI: 10.1016/j.bmcl.2018.04.059
BindingDB Entry DOI: 10.7270/Q2CJ8H4K
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50551372
PNG
(CHEMBL4764468)
Show SMILES O=S(=O)(N[C@H]1CCN(CCCc2noc3ccccc23)C1)c1cc2ccccc2s1 |r|
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0.741n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-ketanserin from recombinant human 5HT2A receptor expressed in CHOK1 cell membranes measured after 1 hr by microbeta counting met...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112149
BindingDB Entry DOI: 10.7270/Q2GX4G68
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50551392
PNG
(CHEMBL4747978)
Show SMILES Cc1c(sc2ccc(F)cc12)S(=O)(=O)N[C@@H]1CCN(CCCc2noc3ccccc23)C1 |r|
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0.794n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-ketanserin from recombinant human 5HT2A receptor expressed in CHOK1 cell membranes measured after 1 hr by microbeta counting met...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112149
BindingDB Entry DOI: 10.7270/Q2GX4G68
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50551371
PNG
(CHEMBL4751063)
Show SMILES Clc1ccc2cc(sc2c1)S(=O)(=O)N[C@@H]1CCN(CCCc2noc3ccccc23)C1 |r|
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0.794n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-ketanserin from recombinant human 5HT2A receptor expressed in CHOK1 cell membranes measured after 1 hr by microbeta counting met...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112149
BindingDB Entry DOI: 10.7270/Q2GX4G68
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50510895
PNG
(CHEMBL4591601)
Show SMILES COc1ccc(\C=C2/NC(=O)N(CCCCN3CCN(CC3)c3cccc(Cl)c3Cl)C2=O)cc1OC
Show InChI InChI=1S/C26H30Cl2N4O4/c1-35-22-9-8-18(17-23(22)36-2)16-20-25(33)32(26(34)29-20)11-4-3-10-30-12-14-31(15-13-30)21-7-5-6-19(27)24(21)28/h5-9,16-17H,3-4,10-15H2,1-2H3,(H,29,34)/b20-16-
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0.800n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]-LSD from human recombinant 5-HT7 receptor expressed in CHO cells incubated for 60 mins by microbeta2 scintillation counter


Bioorg Med Chem 27: 4163-4173 (2019)


Article DOI: 10.1016/j.bmc.2019.07.046
BindingDB Entry DOI: 10.7270/Q2VT1WD5
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM78940
PNG
(METHIOTHEPIN | MLS000859918 | Methiothepin mesylat...)
Show SMILES CSc1ccc2Sc3ccccc3CC(N3CCN(C)CC3)c2c1
Show InChI InChI=1S/C20H24N2S2/c1-21-9-11-22(12-10-21)18-13-15-5-3-4-6-19(15)24-20-8-7-16(23-2)14-17(18)20/h3-8,14,18H,9-13H2,1-2H3
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0.900n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from recombinant human 5-HT6 receptor expressed in CHO cells cell membranes after 60 mins by liquid scintillation counting me...


Bioorg Med Chem Lett 28: 2039-2049 (2018)


Article DOI: 10.1016/j.bmcl.2018.04.059
BindingDB Entry DOI: 10.7270/Q2CJ8H4K
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50551385
PNG
(CHEMBL4744007)
Show SMILES COc1ccc2cc(ccc2c1)S(=O)(=O)N[C@@H]1CCN(CCCc2noc3ccccc23)C1 |r|
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0.933n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-ketanserin from recombinant human 5HT2A receptor expressed in CHOK1 cell membranes measured after 1 hr by microbeta counting met...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112149
BindingDB Entry DOI: 10.7270/Q2GX4G68
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50551379
PNG
(CHEMBL4759492)
Show SMILES Cn1ccc2cc(ccc12)S(=O)(=O)N[C@@H]1CCN(CCCc2noc3ccccc23)C1 |r|
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0.933n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-methylspiperone from recombinant human D2 receptor expressed in CHOK1 cell membranes measured after 60 mins by microbeta countin...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112149
BindingDB Entry DOI: 10.7270/Q2GX4G68
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM78940
PNG
(METHIOTHEPIN | MLS000859918 | Methiothepin mesylat...)
Show SMILES CSc1ccc2Sc3ccccc3CC(N3CCN(C)CC3)c2c1
Show InChI InChI=1S/C20H24N2S2/c1-21-9-11-22(12-10-21)18-13-15-5-3-4-6-19(15)24-20-8-7-16(23-2)14-17(18)20/h3-8,14,18H,9-13H2,1-2H3
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0.977n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-LSD from recombinant human 5HT6 receptor expressed in CHOK1 cell membranes measured after 1 hr by microbeta counting method


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112149
BindingDB Entry DOI: 10.7270/Q2GX4G68
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50510896
PNG
(CHEMBL4465959)
Show SMILES COc1ccc(\C=C2/NC(=O)N(CCCCN3CCN(CC3)c3ccccc3OC)C2=O)cc1OC1CCCC1
Show InChI InChI=1S/C31H40N4O5/c1-38-27-12-6-5-11-26(27)34-19-17-33(18-20-34)15-7-8-16-35-30(36)25(32-31(35)37)21-23-13-14-28(39-2)29(22-23)40-24-9-3-4-10-24/h5-6,11-14,21-22,24H,3-4,7-10,15-20H2,1-2H3,(H,32,37)/b25-21-
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1n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]-LSD from human recombinant 5-HT7 receptor expressed in CHO cells incubated for 60 mins by microbeta2 scintillation counter


Bioorg Med Chem 27: 4163-4173 (2019)


Article DOI: 10.1016/j.bmc.2019.07.046
BindingDB Entry DOI: 10.7270/Q2VT1WD5
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50258490
PNG
(CHEMBL4104622)
Show SMILES Oc1cccc(c1)S(=O)(=O)NCCN1CCC(=CC1)c1c[nH]c2ccc(Cl)cc12 |c:17|
Show InChI InChI=1S/C21H22ClN3O3S/c22-16-4-5-21-19(12-16)20(14-23-21)15-6-9-25(10-7-15)11-8-24-29(27,28)18-3-1-2-17(26)13-18/h1-6,12-14,23-24,26H,7-11H2
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1n/an/an/an/an/an/an/an/a



Faculty of Pharmacy, Jagiellonian University Medical College , 9 Medyczna Street, 30-688 Kraków, Poland.

Curated by ChEMBL


Assay Description
Displacement of [3H]-LSD from human 5-HT7 receptor expressed in CHO-K1 cell membranes after 120 mins by scintillation counting


J Med Chem 60: 7483-7501 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00839
BindingDB Entry DOI: 10.7270/Q2K939ZD
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50510896
PNG
(CHEMBL4465959)
Show SMILES COc1ccc(\C=C2/NC(=O)N(CCCCN3CCN(CC3)c3ccccc3OC)C2=O)cc1OC1CCCC1
Show InChI InChI=1S/C31H40N4O5/c1-38-27-12-6-5-11-26(27)34-19-17-33(18-20-34)15-7-8-16-35-30(36)25(32-31(35)37)21-23-13-14-28(39-2)29(22-23)40-24-9-3-4-10-24/h5-6,11-14,21-22,24H,3-4,7-10,15-20H2,1-2H3,(H,32,37)/b25-21-
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1n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]-8-OH-DPAT from human recombinant 5-HT1A receptor expressed in HEK293 cells incubated for 60 mins by microbeta2 scintillation cou...


Bioorg Med Chem 27: 4163-4173 (2019)


Article DOI: 10.1016/j.bmc.2019.07.046
BindingDB Entry DOI: 10.7270/Q2VT1WD5
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50258491
PNG
(CHEMBL4088249)
Show SMILES Fc1ccc(cc1)S(=O)(=O)NCCN1CCC(=CC1)c1c[nH]c2ccc(Cl)cc12 |c:17|
Show InChI InChI=1S/C21H21ClFN3O2S/c22-16-1-6-21-19(13-16)20(14-24-21)15-7-10-26(11-8-15)12-9-25-29(27,28)18-4-2-17(23)3-5-18/h1-7,13-14,24-25H,8-12H2
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1n/an/an/an/an/an/an/an/a



Faculty of Pharmacy, Jagiellonian University Medical College , 9 Medyczna Street, 30-688 Kraków, Poland.

Curated by ChEMBL


Assay Description
Displacement of [3H]-8-OH-DPAT from human 5-HT1A receptor expressed in CHO-K1 cell membranes after 60 mins by scintillation counting


J Med Chem 60: 7483-7501 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00839
BindingDB Entry DOI: 10.7270/Q2K939ZD
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50551397
PNG
(CHEMBL4779739)
Show SMILES Cc1cccc(c1)S(=O)(=O)N[C@H]1CCN(CCCc2noc3ccccc23)C1 |r|
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1n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-ketanserin from recombinant human 5HT2A receptor expressed in CHOK1 cell membranes measured after 1 hr by microbeta counting met...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112149
BindingDB Entry DOI: 10.7270/Q2GX4G68
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50258454
PNG
(CHEMBL4095555)
Show SMILES Fc1cccc(c1)S(=O)(=O)NCCN1CCC(=CC1)c1c[nH]c2ccc(Cl)cc12 |c:17|
Show InChI InChI=1S/C21H21ClFN3O2S/c22-16-4-5-21-19(12-16)20(14-24-21)15-6-9-26(10-7-15)11-8-25-29(27,28)18-3-1-2-17(23)13-18/h1-6,12-14,24-25H,7-11H2
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1n/an/an/an/an/an/an/an/a



Faculty of Pharmacy, Jagiellonian University Medical College , 9 Medyczna Street, 30-688 Kraków, Poland.

Curated by ChEMBL


Assay Description
Displacement of [3H]-8-OH-DPAT from human 5-HT1A receptor expressed in CHO-K1 cell membranes after 60 mins by scintillation counting


J Med Chem 60: 7483-7501 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00839
BindingDB Entry DOI: 10.7270/Q2K939ZD
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM152784
PNG
(1-[(2,4,6-trimethylphenoxy)propyl]-4-(2-methoxyphe...)
Show SMILES COc1ccccc1N1CCN(CCCOc2c(C)cc(C)cc2C)CC1
Show InChI InChI=1S/C23H32N2O2.ClH/c1-18-16-19(2)23(20(3)17-18)27-15-7-10-24-11-13-25(14-12-24)21-8-5-6-9-22(21)26-4;/h5-6,8-9,16-17H,7,10-15H2,1-4H3;1H
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<1n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from human 5-HT1A receptor expressed in HEK293 cell membranes after 1 hr


Bioorg Med Chem Lett 28: 2039-2049 (2018)


Article DOI: 10.1016/j.bmcl.2018.04.059
BindingDB Entry DOI: 10.7270/Q2CJ8H4K
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50579329
PNG
(CHEMBL4863218)
Show SMILES Clc1ccc(CNCCNCCOc2cccc3n(ccc23)S(=O)(=O)c2ccccc2)cc1
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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 CHO-K1 cell membranes incubated for 1 hr by scintillation counter method


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113783
BindingDB Entry DOI: 10.7270/Q21V5JSC
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50010859
PNG
(CHEMBL11 | IMIPRAMINE HYDROCHLORIDE | IMIPRAMINE P...)
Show SMILES CN(C)CCCN1c2ccccc2CCc2ccccc12
Show InChI InChI=1S/C19H24N2/c1-20(2)14-7-15-21-18-10-5-3-8-16(18)12-13-17-9-4-6-11-19(17)21/h3-6,8-11H,7,12-15H2,1-2H3
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1n/an/an/an/an/an/an/an/a



Faculty of Pharmacy, Jagiellonian University Medical College , 9 Medyczna Street, 30-688 Kraków, Poland.

Curated by ChEMBL


Assay Description
Displacement of [3H]-imipramine from human serotonin transporter expressed in HEK-293 cell membranes after 30 mins by scintillation counting


J Med Chem 60: 7483-7501 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00839
BindingDB Entry DOI: 10.7270/Q2K939ZD
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50258463
PNG
(CHEMBL4070254)
Show SMILES Clc1cccc(c1)S(=O)(=O)NCCCCN1CCC(=CC1)c1c[nH]c2ccc(Cl)cc12 |c:19|
Show InChI InChI=1S/C23H25Cl2N3O2S/c24-18-4-3-5-20(14-18)31(29,30)27-10-1-2-11-28-12-8-17(9-13-28)22-16-26-23-7-6-19(25)15-21(22)23/h3-8,14-16,26-27H,1-2,9-13H2
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1n/an/an/an/an/an/an/an/a



Faculty of Pharmacy, Jagiellonian University Medical College , 9 Medyczna Street, 30-688 Kraków, Poland.

Curated by ChEMBL


Assay Description
Displacement of [3H]-methylspiperone from human D2 receptor expressed in CHO-K1 cells after 60 mins by scintillation counting


J Med Chem 60: 7483-7501 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00839
BindingDB Entry DOI: 10.7270/Q2K939ZD
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM78940
PNG
(METHIOTHEPIN | MLS000859918 | Methiothepin mesylat...)
Show SMILES CSc1ccc2Sc3ccccc3CC(N3CCN(C)CC3)c2c1
Show InChI InChI=1S/C20H24N2S2/c1-21-9-11-22(12-10-21)18-13-15-5-3-4-6-19(15)24-20-8-7-16(23-2)14-17(18)20/h3-8,14,18H,9-13H2,1-2H3
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1n/an/an/an/an/an/an/an/a



Faculty of Pharmacy, Jagiellonian University Medical College , 9 Medyczna Street, 30-688 Kraków, Poland.

Curated by ChEMBL


Assay Description
Displacement of [3H]-LSD from human 5-HT7 receptor expressed in CHO-K1 cell membranes after 120 mins by scintillation counting


J Med Chem 60: 7483-7501 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00839
BindingDB Entry DOI: 10.7270/Q2K939ZD
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM78940
PNG
(METHIOTHEPIN | MLS000859918 | Methiothepin mesylat...)
Show SMILES CSc1ccc2Sc3ccccc3CC(N3CCN(C)CC3)c2c1
Show InChI InChI=1S/C20H24N2S2/c1-21-9-11-22(12-10-21)18-13-15-5-3-4-6-19(15)24-20-8-7-16(23-2)14-17(18)20/h3-8,14,18H,9-13H2,1-2H3
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1n/an/an/an/an/an/an/an/a



Faculty of Pharmacy, Jagiellonian University Medical College , 9 Medyczna Street, 30-688 Kraków, Poland.

Curated by ChEMBL


Assay Description
Displacement of [3H]-LSD from human 5-HT6 receptor expressed in CHO-K1 cell membranes after 60 mins by scintillation counting


J Med Chem 60: 7483-7501 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00839
BindingDB Entry DOI: 10.7270/Q2K939ZD
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50551368
PNG
(CHEMBL4762226)
Show SMILES Fc1ccc2cc(sc2c1)S(=O)(=O)N[C@H]1CCN(CCCc2noc3ccccc23)C1 |r|
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1.10n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-ketanserin from recombinant human 5HT2A receptor expressed in CHOK1 cell membranes measured after 1 hr by microbeta counting met...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112149
BindingDB Entry DOI: 10.7270/Q2GX4G68
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50551388
PNG
(CHEMBL4776225)
Show SMILES O=S(=O)(N[C@H]1CCN(CCCc2noc3ccccc23)C1)c1cccc2ccccc12 |r|
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1.10n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-ketanserin from recombinant human 5HT2A receptor expressed in CHOK1 cell membranes measured after 1 hr by microbeta counting met...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112149
BindingDB Entry DOI: 10.7270/Q2GX4G68
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50258455
PNG
(CHEMBL4075144)
Show SMILES Fc1cccc(c1)S(=O)(=O)NCCCN1CCC(=CC1)c1c[nH]c2ccc(Cl)cc12 |c:18|
Show InChI InChI=1S/C22H23ClFN3O2S/c23-17-5-6-22-20(13-17)21(15-25-22)16-7-11-27(12-8-16)10-2-9-26-30(28,29)19-4-1-3-18(24)14-19/h1,3-7,13-15,25-26H,2,8-12H2
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1.10n/an/an/an/an/an/an/an/a



Faculty of Pharmacy, Jagiellonian University Medical College , 9 Medyczna Street, 30-688 Kraków, Poland.

Curated by ChEMBL


Assay Description
Displacement of [3H]-imipramine from human serotonin transporter expressed in HEK-293 cell membranes after 30 mins by scintillation counting


J Med Chem 60: 7483-7501 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00839
BindingDB Entry DOI: 10.7270/Q2K939ZD
More data for this
Ligand-Target Pair
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