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Compile Data Set for Download or QSAR

Found 53 hits Enz. Inhib. hit(s) with all data for entry = 50011845   
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 2A


(Homo sapiens (Human))
BDBM50001885
PNG
((risperidone)3-{2-[4-(6-Fluoro-benzo[d]isoxazol-3-...)
Show SMILES Cc1nc2CCCCn2c(=O)c1CCN1CCC(CC1)c1noc2cc(F)ccc12
Show InChI InChI=1S/C23H27FN4O2/c1-15-18(23(29)28-10-3-2-4-21(28)25-15)9-13-27-11-7-16(8-12-27)22-19-6-5-17(24)14-20(19)30-26-22/h5-6,14,16H,2-4,7-13H2,1H3
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Article
PubMed
0.170n/an/an/an/an/an/an/an/a


TBA

Assay Description
Antagonist activity at 5HT2A receptor (unknown origin)


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112214
BindingDB Entry DOI: 10.7270/Q2959N63
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM21398
PNG
(4-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-1...)
Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C21H23ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2
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0.740n/an/an/an/an/an/an/an/a


TBA

Assay Description
Antagonist activity at D2 receptor (unknown origin)


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112214
BindingDB Entry DOI: 10.7270/Q2959N63
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM248056
PNG
(1-(2,3-dihydro-1,4-benzodioxin-5-yl)-4-[[5-(4-fluo...)
Show SMILES Fc1ccc(cc1)-c1cncc(CN2CCN(CC2)c2cccc3OCCOc23)c1
Show InChI InChI=1S/C24H24FN3O2/c25-21-6-4-19(5-7-21)20-14-18(15-26-16-20)17-27-8-10-28(11-9-27)22-2-1-3-23-24(22)30-13-12-29-23/h1-7,14-16H,8-13,17H2
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0.794n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]8-OH-DPAT from recombinant human 5HT1A receptor expressed in CHO cell membrane measured after 60 mins by scintillation counting m...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112214
BindingDB Entry DOI: 10.7270/Q2959N63
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50001885
PNG
((risperidone)3-{2-[4-(6-Fluoro-benzo[d]isoxazol-3-...)
Show SMILES Cc1nc2CCCCn2c(=O)c1CCN1CCC(CC1)c1noc2cc(F)ccc12
Show InChI InChI=1S/C23H27FN4O2/c1-15-18(23(29)28-10-3-2-4-21(28)25-15)9-13-27-11-7-16(8-12-27)22-19-6-5-17(24)14-20(19)30-26-22/h5-6,14,16H,2-4,7-13H2,1H3
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3.60n/an/an/an/an/an/an/an/a


TBA

Assay Description
Antagonist activity at D2 receptor (unknown origin)


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112214
BindingDB Entry DOI: 10.7270/Q2959N63
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM248056
PNG
(1-(2,3-dihydro-1,4-benzodioxin-5-yl)-4-[[5-(4-fluo...)
Show SMILES Fc1ccc(cc1)-c1cncc(CN2CCN(CC2)c2cccc3OCCOc23)c1
Show InChI InChI=1S/C24H24FN3O2/c25-21-6-4-19(5-7-21)20-14-18(15-26-16-20)17-27-8-10-28(11-9-27)22-2-1-3-23-24(22)30-13-12-29-23/h1-7,14-16H,8-13,17H2
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4n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]spiperone from recombinant human D2S receptor expressed in CHO cell membrane measured after 60 mins by scintillation counting met...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112214
BindingDB Entry DOI: 10.7270/Q2959N63
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50001884
PNG
(2-[4-(4-Methyl-benzyl)-piperazin-1-yl]-1-(2-methyl...)
Show SMILES CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2ccccc12 |t:8|
Show InChI InChI=1S/C18H19ClN4/c1-22-8-10-23(11-9-22)18-14-4-2-3-5-15(14)20-16-7-6-13(19)12-17(16)21-18/h2-7,12,20H,8-11H2,1H3
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5.40n/an/an/an/an/an/an/an/a


TBA

Assay Description
Antagonist activity at 5HT2A receptor (unknown origin)


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112214
BindingDB Entry DOI: 10.7270/Q2959N63
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50551638
PNG
(CHEMBL4790303)
Show SMILES Fc1ccc2[nH]cc(CCCN3CCN(CC(=O)N(C4CCCCC4)c4ccccc4)CC3)c2c1
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52n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]5-HT from recombinant 5HT1A receptor (unknown origin) expressed in CHO cell membrane measured after 50 mins by microbeta scintill...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112214
BindingDB Entry DOI: 10.7270/Q2959N63
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50001884
PNG
(2-[4-(4-Methyl-benzyl)-piperazin-1-yl]-1-(2-methyl...)
Show SMILES CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2ccccc12 |t:8|
Show InChI InChI=1S/C18H19ClN4/c1-22-8-10-23(11-9-22)18-14-4-2-3-5-15(14)20-16-7-6-13(19)12-17(16)21-18/h2-7,12,20H,8-11H2,1H3
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157n/an/an/an/an/an/an/an/a


TBA

Assay Description
Antagonist activity at D2 receptor (unknown origin)


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112214
BindingDB Entry DOI: 10.7270/Q2959N63
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50551638
PNG
(CHEMBL4790303)
Show SMILES Fc1ccc2[nH]cc(CCCN3CCN(CC(=O)N(C4CCCCC4)c4ccccc4)CC3)c2c1
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207n/an/an/an/an/an/an/an/a


TBA

Assay Description
Antagonist activity at human 5HT2A receptor expressed in CHO-K1 cells measured after 15 mins by FLIPR assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112214
BindingDB Entry DOI: 10.7270/Q2959N63
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50551638
PNG
(CHEMBL4790303)
Show SMILES Fc1ccc2[nH]cc(CCCN3CCN(CC(=O)N(C4CCCCC4)c4ccccc4)CC3)c2c1
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2.16E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Antagonist activity at human D2 receptor expressed in HEK293 cells incubated for 60 mins by Eu-cAMP tracer based LANCE ultra cAMP assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112214
BindingDB Entry DOI: 10.7270/Q2959N63
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50551625
PNG
(CHEMBL4776840)
Show SMILES Fc1ccc2c(noc2c1)C1CCN(CCCN(C2COC2)S(=O)(=O)c2ccccc2)CC1
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n/an/a 1.90n/an/an/an/an/an/a


TBA

Assay Description
Antagonist activity at human D2 receptor expressed in HEK293 cells incubated for 60 mins by Eu-cAMP tracer based LANCE ultra cAMP assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112214
BindingDB Entry DOI: 10.7270/Q2959N63
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50551623
PNG
(CHEMBL4759817)
Show SMILES Fc1ccc2c(noc2c1)C1CCN(CCCN(C2COC2)S(=O)(=O)c2ccc(Cl)cc2)CC1
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n/an/a 2n/an/an/an/an/an/a


TBA

Assay Description
Antagonist activity at human D2 receptor expressed in HEK293 cells incubated for 60 mins by Eu-cAMP tracer based LANCE ultra cAMP assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112214
BindingDB Entry DOI: 10.7270/Q2959N63
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50551622
PNG
(CHEMBL4746981)
Show SMILES Fc1ccc2c(noc2c1)C1CCN(CCCN(C2COC2)S(=O)(=O)c2ccc(cc2)C(F)(F)F)CC1
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n/an/a 2.30n/an/an/an/an/an/a


TBA

Assay Description
Antagonist activity at human D2 receptor expressed in HEK293 cells incubated for 60 mins by Eu-cAMP tracer based LANCE ultra cAMP assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112214
BindingDB Entry DOI: 10.7270/Q2959N63
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50551624
PNG
(CHEMBL4787495)
Show SMILES Fc1ccc(cc1)S(=O)(=O)N(CCCN1CCC(CC1)c1noc2cc(F)ccc12)C1COC1
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n/an/a 3n/an/an/an/an/an/a


TBA

Assay Description
Antagonist activity at human D2 receptor expressed in HEK293 cells incubated for 60 mins by Eu-cAMP tracer based LANCE ultra cAMP assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112214
BindingDB Entry DOI: 10.7270/Q2959N63
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50551621
PNG
(CHEMBL4747208)
Show SMILES Fc1ccc2c(noc2c1)C1CCN(CCCN(C2COC2)S(=O)(=O)c2ccc(cc2)C#N)CC1
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n/an/a 3.60n/an/an/an/an/an/a


TBA

Assay Description
Antagonist activity at human D2 receptor expressed in HEK293 cells incubated for 60 mins by Eu-cAMP tracer based LANCE ultra cAMP assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112214
BindingDB Entry DOI: 10.7270/Q2959N63
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50551625
PNG
(CHEMBL4776840)
Show SMILES Fc1ccc2c(noc2c1)C1CCN(CCCN(C2COC2)S(=O)(=O)c2ccccc2)CC1
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n/an/a 9.30n/an/an/an/an/an/a


TBA

Assay Description
Antagonist activity at human 5HT2A receptor expressed in CHO-K1 cells measured after 15 mins by FLIPR assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112214
BindingDB Entry DOI: 10.7270/Q2959N63
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50551621
PNG
(CHEMBL4747208)
Show SMILES Fc1ccc2c(noc2c1)C1CCN(CCCN(C2COC2)S(=O)(=O)c2ccc(cc2)C#N)CC1
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n/an/a 11n/an/an/an/an/an/a


TBA

Assay Description
Antagonist activity at human 5HT2A receptor expressed in CHO-K1 cells measured after 15 mins by FLIPR assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112214
BindingDB Entry DOI: 10.7270/Q2959N63
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50551627
PNG
(CHEMBL4751911)
Show SMILES Fc1ccc2c(noc2c1)C1CCN(CCCN(CC2CC2)C(=O)c2ccccc2)CC1
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n/an/a 11n/an/an/an/an/an/a


TBA

Assay Description
Antagonist activity at human D2 receptor expressed in HEK293 cells incubated for 60 mins by Eu-cAMP tracer based LANCE ultra cAMP assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112214
BindingDB Entry DOI: 10.7270/Q2959N63
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50551628
PNG
(CHEMBL4794013)
Show SMILES CC(C)N(CCCN1CCC(CC1)c1noc2cc(F)ccc12)C(=O)c1ccccc1
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n/an/a 12n/an/an/an/an/an/a


TBA

Assay Description
Antagonist activity at human 5HT2A receptor expressed in CHO-K1 cells measured after 15 mins by FLIPR assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112214
BindingDB Entry DOI: 10.7270/Q2959N63
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50551624
PNG
(CHEMBL4787495)
Show SMILES Fc1ccc(cc1)S(=O)(=O)N(CCCN1CCC(CC1)c1noc2cc(F)ccc12)C1COC1
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n/an/a 15n/an/an/an/an/an/a


TBA

Assay Description
Antagonist activity at human 5HT2A receptor expressed in CHO-K1 cells measured after 15 mins by FLIPR assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112214
BindingDB Entry DOI: 10.7270/Q2959N63
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50551626
PNG
(CHEMBL4749144)
Show SMILES Fc1ccc2c(noc2c1)C1CCN(CCCN(C2COC2)C(=O)c2ccccc2)CC1
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n/an/a 19n/an/an/an/an/an/a


TBA

Assay Description
Antagonist activity at human 5HT2A receptor expressed in CHO-K1 cells measured after 15 mins by FLIPR assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112214
BindingDB Entry DOI: 10.7270/Q2959N63
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50551629
PNG
(CHEMBL4761441)
Show SMILES CCCN(CCCN1CCC(CC1)c1noc2cc(F)ccc12)C(=O)c1ccccc1
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n/an/a 19n/an/an/an/an/an/a


TBA

Assay Description
Antagonist activity at human D2 receptor expressed in HEK293 cells incubated for 60 mins by Eu-cAMP tracer based LANCE ultra cAMP assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112214
BindingDB Entry DOI: 10.7270/Q2959N63
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50551623
PNG
(CHEMBL4759817)
Show SMILES Fc1ccc2c(noc2c1)C1CCN(CCCN(C2COC2)S(=O)(=O)c2ccc(Cl)cc2)CC1
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n/an/a 35n/an/an/an/an/an/a


TBA

Assay Description
Antagonist activity at human 5HT2A receptor expressed in CHO-K1 cells measured after 15 mins by FLIPR assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112214
BindingDB Entry DOI: 10.7270/Q2959N63
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50551627
PNG
(CHEMBL4751911)
Show SMILES Fc1ccc2c(noc2c1)C1CCN(CCCN(CC2CC2)C(=O)c2ccccc2)CC1
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n/an/a 41n/an/an/an/an/an/a


TBA

Assay Description
Antagonist activity at human 5HT2A receptor expressed in CHO-K1 cells measured after 15 mins by FLIPR assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112214
BindingDB Entry DOI: 10.7270/Q2959N63
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50551628
PNG
(CHEMBL4794013)
Show SMILES CC(C)N(CCCN1CCC(CC1)c1noc2cc(F)ccc12)C(=O)c1ccccc1
PDB

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n/an/a 59n/an/an/an/an/an/a


TBA

Assay Description
Antagonist activity at human D2 receptor expressed in HEK293 cells incubated for 60 mins by Eu-cAMP tracer based LANCE ultra cAMP assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112214
BindingDB Entry DOI: 10.7270/Q2959N63
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50551629
PNG
(CHEMBL4761441)
Show SMILES CCCN(CCCN1CCC(CC1)c1noc2cc(F)ccc12)C(=O)c1ccccc1
PDB
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UniChem
Article
PubMed
n/an/a 73n/an/an/an/an/an/a


TBA

Assay Description
Antagonist activity at human 5HT2A receptor expressed in CHO-K1 cells measured after 15 mins by FLIPR assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112214
BindingDB Entry DOI: 10.7270/Q2959N63
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50551622
PNG
(CHEMBL4746981)
Show SMILES Fc1ccc2c(noc2c1)C1CCN(CCCN(C2COC2)S(=O)(=O)c2ccc(cc2)C(F)(F)F)CC1
PDB
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n/an/a 93n/an/an/an/an/an/a


TBA

Assay Description
Antagonist activity at human 5HT2A receptor expressed in CHO-K1 cells measured after 15 mins by FLIPR assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112214
BindingDB Entry DOI: 10.7270/Q2959N63
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50551626
PNG
(CHEMBL4749144)
Show SMILES Fc1ccc2c(noc2c1)C1CCN(CCCN(C2COC2)C(=O)c2ccccc2)CC1
PDB

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


TBA

Assay Description
Antagonist activity at human D2 receptor expressed in HEK293 cells incubated for 60 mins by Eu-cAMP tracer based LANCE ultra cAMP assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112214
BindingDB Entry DOI: 10.7270/Q2959N63
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50551632
PNG
(CHEMBL4753512)
Show SMILES COc1ccccc1N1CCN(CCCN(CC2CC2)C(=O)c2ccccc2)CC1
PDB

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n/an/a 289n/an/an/an/an/an/a


TBA

Assay Description
Antagonist activity at human D2 receptor expressed in HEK293 cells incubated for 60 mins by Eu-cAMP tracer based LANCE ultra cAMP assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112214
BindingDB Entry DOI: 10.7270/Q2959N63
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50551636
PNG
(CHEMBL4777207)
Show SMILES Clc1cccc(N2CCN(CCCN(CC3CC3)C(=O)c3ccccc3)CC2)c1Cl
PDB

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n/an/a 459n/an/an/an/an/an/a


TBA

Assay Description
Antagonist activity at human D2 receptor expressed in HEK293 cells incubated for 60 mins by Eu-cAMP tracer based LANCE ultra cAMP assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112214
BindingDB Entry DOI: 10.7270/Q2959N63
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50551634
PNG
(CHEMBL4746563)
Show SMILES CCCN(CCCN1CCN(CC1)c1ccccc1OC)C(=O)c1ccccc1
PDB

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n/an/a 467n/an/an/an/an/an/a


TBA

Assay Description
Antagonist activity at human D2 receptor expressed in HEK293 cells incubated for 60 mins by Eu-cAMP tracer based LANCE ultra cAMP assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112214
BindingDB Entry DOI: 10.7270/Q2959N63
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50551639
PNG
(CHEMBL4745192)
Show SMILES CCCN(CCCN1CCN(CC1)c1cccc(Cl)c1Cl)C(=O)c1ccccc1
PDB

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n/an/a 485n/an/an/an/an/an/a


TBA

Assay Description
Antagonist activity at human D2 receptor expressed in HEK293 cells incubated for 60 mins by Eu-cAMP tracer based LANCE ultra cAMP assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112214
BindingDB Entry DOI: 10.7270/Q2959N63
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50551637
PNG
(CHEMBL4752859)
Show SMILES CC(C)N(CCCN1CCN(CC1)c1cccc(Cl)c1Cl)C(=O)c1ccccc1
PDB

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n/an/a 528n/an/an/an/an/an/a


TBA

Assay Description
Antagonist activity at human D2 receptor expressed in HEK293 cells incubated for 60 mins by Eu-cAMP tracer based LANCE ultra cAMP assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112214
BindingDB Entry DOI: 10.7270/Q2959N63
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50551636
PNG
(CHEMBL4777207)
Show SMILES Clc1cccc(N2CCN(CCCN(CC3CC3)C(=O)c3ccccc3)CC2)c1Cl
PDB
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n/an/a 768n/an/an/an/an/an/a


TBA

Assay Description
Antagonist activity at human 5HT2A receptor expressed in CHO-K1 cells measured after 15 mins by FLIPR assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112214
BindingDB Entry DOI: 10.7270/Q2959N63
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50551633
PNG
(CHEMBL4787658)
Show SMILES COc1ccccc1N1CCN(CCCN(C(C)C)C(=O)c2ccccc2)CC1
PDB

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n/an/a 824n/an/an/an/an/an/a


TBA

Assay Description
Antagonist activity at human D2 receptor expressed in HEK293 cells incubated for 60 mins by Eu-cAMP tracer based LANCE ultra cAMP assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112214
BindingDB Entry DOI: 10.7270/Q2959N63
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50551635
PNG
(CHEMBL4800286)
Show SMILES Clc1cccc(N2CCN(CCCN(C3COC3)C(=O)c3ccccc3)CC2)c1Cl
PDB

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n/an/a 1.88E+3n/an/an/an/an/an/a


TBA

Assay Description
Antagonist activity at human D2 receptor expressed in HEK293 cells incubated for 60 mins by Eu-cAMP tracer based LANCE ultra cAMP assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112214
BindingDB Entry DOI: 10.7270/Q2959N63
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50551637
PNG
(CHEMBL4752859)
Show SMILES CC(C)N(CCCN1CCN(CC1)c1cccc(Cl)c1Cl)C(=O)c1ccccc1
PDB
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n/an/a 2.01E+3n/an/an/an/an/an/a


TBA

Assay Description
Antagonist activity at human 5HT2A receptor expressed in CHO-K1 cells measured after 15 mins by FLIPR assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112214
BindingDB Entry DOI: 10.7270/Q2959N63
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50551635
PNG
(CHEMBL4800286)
Show SMILES Clc1cccc(N2CCN(CCCN(C3COC3)C(=O)c3ccccc3)CC2)c1Cl
PDB
MMDB

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n/an/a 2.18E+3n/an/an/an/an/an/a


TBA

Assay Description
Antagonist activity at human 5HT2A receptor expressed in CHO-K1 cells measured after 15 mins by FLIPR assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112214
BindingDB Entry DOI: 10.7270/Q2959N63
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50551639
PNG
(CHEMBL4745192)
Show SMILES CCCN(CCCN1CCN(CC1)c1cccc(Cl)c1Cl)C(=O)c1ccccc1
PDB
MMDB

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n/an/a 3.25E+3n/an/an/an/an/an/a


TBA

Assay Description
Antagonist activity at human 5HT2A receptor expressed in CHO-K1 cells measured after 15 mins by FLIPR assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112214
BindingDB Entry DOI: 10.7270/Q2959N63
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50551631
PNG
(CHEMBL4778957)
Show SMILES COc1ccccc1N1CCN(CCCN(C2COC2)C(=O)c2ccccc2)CC1
PDB

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n/an/a 3.77E+3n/an/an/an/an/an/a


TBA

Assay Description
Antagonist activity at human D2 receptor expressed in HEK293 cells incubated for 60 mins by Eu-cAMP tracer based LANCE ultra cAMP assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112214
BindingDB Entry DOI: 10.7270/Q2959N63
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50551630
PNG
(CHEMBL4754651)
Show SMILES CCCN(CCCN1CCN(CC1)c1ccccn1)C(=O)c1ccccc1
PDB

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n/an/a 6.94E+3n/an/an/an/an/an/a


TBA

Assay Description
Antagonist activity at human D2 receptor expressed in HEK293 cells incubated for 60 mins by Eu-cAMP tracer based LANCE ultra cAMP assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112214
BindingDB Entry DOI: 10.7270/Q2959N63
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50551630
PNG
(CHEMBL4754651)
Show SMILES CCCN(CCCN1CCN(CC1)c1ccccn1)C(=O)c1ccccc1
PDB
MMDB

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n/an/a 7.55E+3n/an/an/an/an/an/a


TBA

Assay Description
Antagonist activity at human 5HT2A receptor expressed in CHO-K1 cells measured after 15 mins by FLIPR assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112214
BindingDB Entry DOI: 10.7270/Q2959N63
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50551641
PNG
(CHEMBL4787394)
Show SMILES O=C(N(CCCN1CCN(CC1)c1ccccn1)CC1CC1)c1ccccc1
PDB
MMDB

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n/an/a 7.72E+3n/an/an/an/an/an/a


TBA

Assay Description
Antagonist activity at human 5HT2A receptor expressed in CHO-K1 cells measured after 15 mins by FLIPR assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112214
BindingDB Entry DOI: 10.7270/Q2959N63
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50551636
PNG
(CHEMBL4777207)
Show SMILES Clc1cccc(N2CCN(CCCN(CC3CC3)C(=O)c3ccccc3)CC2)c1Cl
PDB

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n/an/an/an/a 175n/an/an/an/a


TBA

Assay Description
Agonist activity at human 5H1A receptor expressed in HEK293 cells incubated for 60 mins by Eu-cAMP tracer based LANCE ultra cAMP assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112214
BindingDB Entry DOI: 10.7270/Q2959N63
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50551635
PNG
(CHEMBL4800286)
Show SMILES Clc1cccc(N2CCN(CCCN(C3COC3)C(=O)c3ccccc3)CC2)c1Cl
PDB

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n/an/an/an/a 583n/an/an/an/a


TBA

Assay Description
Agonist activity at human 5H1A receptor expressed in HEK293 cells incubated for 60 mins by Eu-cAMP tracer based LANCE ultra cAMP assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112214
BindingDB Entry DOI: 10.7270/Q2959N63
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50551638
PNG
(CHEMBL4790303)
Show SMILES Fc1ccc2[nH]cc(CCCN3CCN(CC(=O)N(C4CCCCC4)c4ccccc4)CC3)c2c1
PDB

UniProtKB/SwissProt

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n/an/an/an/a 7n/an/an/an/a


TBA

Assay Description
Agonist activity at human 5H1A receptor expressed in HEK293 cells incubated for 60 mins by Eu-cAMP tracer based LANCE ultra cAMP assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112214
BindingDB Entry DOI: 10.7270/Q2959N63
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50551639
PNG
(CHEMBL4745192)
Show SMILES CCCN(CCCN1CCN(CC1)c1cccc(Cl)c1Cl)C(=O)c1ccccc1
PDB

UniProtKB/SwissProt

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n/an/an/an/a 452n/an/an/an/a


TBA

Assay Description
Agonist activity at human 5H1A receptor expressed in HEK293 cells incubated for 60 mins by Eu-cAMP tracer based LANCE ultra cAMP assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112214
BindingDB Entry DOI: 10.7270/Q2959N63
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50551642
PNG
(CHEMBL4800109)
Show SMILES CC(C)N(CCCN1CCN(CC1)c1ccccn1)C(=O)c1ccccc1
PDB

UniProtKB/SwissProt

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Article
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n/an/an/an/a 23n/an/an/an/a


TBA

Assay Description
Agonist activity at human 5H1A receptor expressed in HEK293 cells incubated for 60 mins by Eu-cAMP tracer based LANCE ultra cAMP assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112214
BindingDB Entry DOI: 10.7270/Q2959N63
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50551641
PNG
(CHEMBL4787394)
Show SMILES O=C(N(CCCN1CCN(CC1)c1ccccn1)CC1CC1)c1ccccc1
PDB

UniProtKB/SwissProt

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PC sid
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Article
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n/an/an/an/a 25n/an/an/an/a


TBA

Assay Description
Agonist activity at human 5H1A receptor expressed in HEK293 cells incubated for 60 mins by Eu-cAMP tracer based LANCE ultra cAMP assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112214
BindingDB Entry DOI: 10.7270/Q2959N63
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50551640
PNG
(CHEMBL4777749)
Show SMILES O=C(N(CCCN1CCN(CC1)c1ccccn1)C1COC1)c1ccccc1
PDB

UniProtKB/SwissProt

antibodypedia
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n/an/an/an/a 374n/an/an/an/a


TBA

Assay Description
Agonist activity at human 5H1A receptor expressed in HEK293 cells incubated for 60 mins by Eu-cAMP tracer based LANCE ultra cAMP assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112214
BindingDB Entry DOI: 10.7270/Q2959N63
More data for this
Ligand-Target Pair
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