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BDBM50183265 CHEMBL3819567

SMILES: O=C1NCN(c2ccccc2)C11CCN(CCCCc2nc3ccccc3s2)CC1

InChI Key: InChIKey=AVKICTLBRHZUTM-UHFFFAOYSA-N

Data: 15 KI

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 15 hits for monomerid = 50183265   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50183265
PNG
(CHEMBL3819567)
Show SMILES O=C1NCN(c2ccccc2)C11CCN(CCCCc2nc3ccccc3s2)CC1
Show InChI InChI=1S/C24H28N4OS/c29-23-24(28(18-25-23)19-8-2-1-3-9-19)13-16-27(17-14-24)15-7-6-12-22-26-20-10-4-5-11-21(20)30-22/h1-5,8-11H,6-7,12-18H2,(H,25,29)
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1.20n/an/an/an/an/an/an/an/a



Florida A&M University

Curated by ChEMBL


Assay Description
Displacement of [3H]Pyrilamine from human recombinant histamine H1 receptor incubated for 1.5 hrs by microbeta scintillation counting method


Bioorg Med Chem 24: 3671-9 (2016)


Article DOI: 10.1016/j.bmc.2016.06.011
BindingDB Entry DOI: 10.7270/Q2W66NPV
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50183265
PNG
(CHEMBL3819567)
Show SMILES O=C1NCN(c2ccccc2)C11CCN(CCCCc2nc3ccccc3s2)CC1
Show InChI InChI=1S/C24H28N4OS/c29-23-24(28(18-25-23)19-8-2-1-3-9-19)13-16-27(17-14-24)15-7-6-12-22-26-20-10-4-5-11-21(20)30-22/h1-5,8-11H,6-7,12-18H2,(H,25,29)
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24n/an/an/an/an/an/an/an/a



Florida A&M University

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylspiperone from human recombinant dopamine D2 receptor incubated for 1.5 hrs by microbeta scintillation counting method


Bioorg Med Chem 24: 3671-9 (2016)


Article DOI: 10.1016/j.bmc.2016.06.011
BindingDB Entry DOI: 10.7270/Q2W66NPV
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50183265
PNG
(CHEMBL3819567)
Show SMILES O=C1NCN(c2ccccc2)C11CCN(CCCCc2nc3ccccc3s2)CC1
Show InChI InChI=1S/C24H28N4OS/c29-23-24(28(18-25-23)19-8-2-1-3-9-19)13-16-27(17-14-24)15-7-6-12-22-26-20-10-4-5-11-21(20)30-22/h1-5,8-11H,6-7,12-18H2,(H,25,29)
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24n/an/an/an/an/an/an/an/a



Florida A&M University

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylspiperone from human recombinant dopamine D2 receptor incubated for 1.5 hrs by microbeta scintillation counting method


Bioorg Med Chem 24: 3671-9 (2016)


Article DOI: 10.1016/j.bmc.2016.06.011
BindingDB Entry DOI: 10.7270/Q2W66NPV
More data for this
Ligand-Target Pair
D2-like dopamine receptor


(Homo sapiens (Human))
BDBM50183265
PNG
(CHEMBL3819567)
Show SMILES O=C1NCN(c2ccccc2)C11CCN(CCCCc2nc3ccccc3s2)CC1
Show InChI InChI=1S/C24H28N4OS/c29-23-24(28(18-25-23)19-8-2-1-3-9-19)13-16-27(17-14-24)15-7-6-12-22-26-20-10-4-5-11-21(20)30-22/h1-5,8-11H,6-7,12-18H2,(H,25,29)
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32n/an/an/an/an/an/an/an/a



Florida A&M University

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylspiperone from human recombinant dopamine D3 receptor incubated for 1.5 hrs by microbeta scintillation counting method


Bioorg Med Chem 24: 3671-9 (2016)


Article DOI: 10.1016/j.bmc.2016.06.011
BindingDB Entry DOI: 10.7270/Q2W66NPV
More data for this
Ligand-Target Pair
D2-like dopamine receptor


(Homo sapiens (Human))
BDBM50183265
PNG
(CHEMBL3819567)
Show SMILES O=C1NCN(c2ccccc2)C11CCN(CCCCc2nc3ccccc3s2)CC1
Show InChI InChI=1S/C24H28N4OS/c29-23-24(28(18-25-23)19-8-2-1-3-9-19)13-16-27(17-14-24)15-7-6-12-22-26-20-10-4-5-11-21(20)30-22/h1-5,8-11H,6-7,12-18H2,(H,25,29)
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32n/an/an/an/an/an/an/an/a



Florida A&M University

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylspiperone from human recombinant dopamine D3 receptor incubated for 1.5 hrs by microbeta scintillation counting method


Bioorg Med Chem 24: 3671-9 (2016)


Article DOI: 10.1016/j.bmc.2016.06.011
BindingDB Entry DOI: 10.7270/Q2W66NPV
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2B


(Homo sapiens (Human))
BDBM50183265
PNG
(CHEMBL3819567)
Show SMILES O=C1NCN(c2ccccc2)C11CCN(CCCCc2nc3ccccc3s2)CC1
Show InChI InChI=1S/C24H28N4OS/c29-23-24(28(18-25-23)19-8-2-1-3-9-19)13-16-27(17-14-24)15-7-6-12-22-26-20-10-4-5-11-21(20)30-22/h1-5,8-11H,6-7,12-18H2,(H,25,29)
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122n/an/an/an/an/an/an/an/a



Florida A&M University

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human recombinant 5HT2B receptor incubated for 1.5 hrs by microbeta scintillation counting method


Bioorg Med Chem 24: 3671-9 (2016)


Article DOI: 10.1016/j.bmc.2016.06.011
BindingDB Entry DOI: 10.7270/Q2W66NPV
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2B


(Homo sapiens (Human))
BDBM50183265
PNG
(CHEMBL3819567)
Show SMILES O=C1NCN(c2ccccc2)C11CCN(CCCCc2nc3ccccc3s2)CC1
Show InChI InChI=1S/C24H28N4OS/c29-23-24(28(18-25-23)19-8-2-1-3-9-19)13-16-27(17-14-24)15-7-6-12-22-26-20-10-4-5-11-21(20)30-22/h1-5,8-11H,6-7,12-18H2,(H,25,29)
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123n/an/an/an/an/an/an/an/a



Florida A&M University

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human recombinant 5HT2B receptor incubated for 1.5 hrs by microbeta scintillation counting method


Bioorg Med Chem 24: 3671-9 (2016)


Article DOI: 10.1016/j.bmc.2016.06.011
BindingDB Entry DOI: 10.7270/Q2W66NPV
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50183265
PNG
(CHEMBL3819567)
Show SMILES O=C1NCN(c2ccccc2)C11CCN(CCCCc2nc3ccccc3s2)CC1
Show InChI InChI=1S/C24H28N4OS/c29-23-24(28(18-25-23)19-8-2-1-3-9-19)13-16-27(17-14-24)15-7-6-12-22-26-20-10-4-5-11-21(20)30-22/h1-5,8-11H,6-7,12-18H2,(H,25,29)
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132n/an/an/an/an/an/an/an/a



Florida A&M University

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylspiperone from human recombinant dopamine D4 receptor incubated for 1.5 hrs by microbeta scintillation counting method


Bioorg Med Chem 24: 3671-9 (2016)


Article DOI: 10.1016/j.bmc.2016.06.011
BindingDB Entry DOI: 10.7270/Q2W66NPV
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50183265
PNG
(CHEMBL3819567)
Show SMILES O=C1NCN(c2ccccc2)C11CCN(CCCCc2nc3ccccc3s2)CC1
Show InChI InChI=1S/C24H28N4OS/c29-23-24(28(18-25-23)19-8-2-1-3-9-19)13-16-27(17-14-24)15-7-6-12-22-26-20-10-4-5-11-21(20)30-22/h1-5,8-11H,6-7,12-18H2,(H,25,29)
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132n/an/an/an/an/an/an/an/a



Florida A&M University

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylspiperone from human recombinant dopamine D4 receptor incubated for 1.5 hrs by microbeta scintillation counting method


Bioorg Med Chem 24: 3671-9 (2016)


Article DOI: 10.1016/j.bmc.2016.06.011
BindingDB Entry DOI: 10.7270/Q2W66NPV
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50183265
PNG
(CHEMBL3819567)
Show SMILES O=C1NCN(c2ccccc2)C11CCN(CCCCc2nc3ccccc3s2)CC1
Show InChI InChI=1S/C24H28N4OS/c29-23-24(28(18-25-23)19-8-2-1-3-9-19)13-16-27(17-14-24)15-7-6-12-22-26-20-10-4-5-11-21(20)30-22/h1-5,8-11H,6-7,12-18H2,(H,25,29)
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195n/an/an/an/an/an/an/an/a



Florida A&M University

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from human recombinant 5HT1A receptor incubated for 1.5 hrs by microbeta scintillation counting method


Bioorg Med Chem 24: 3671-9 (2016)


Article DOI: 10.1016/j.bmc.2016.06.011
BindingDB Entry DOI: 10.7270/Q2W66NPV
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50183265
PNG
(CHEMBL3819567)
Show SMILES O=C1NCN(c2ccccc2)C11CCN(CCCCc2nc3ccccc3s2)CC1
Show InChI InChI=1S/C24H28N4OS/c29-23-24(28(18-25-23)19-8-2-1-3-9-19)13-16-27(17-14-24)15-7-6-12-22-26-20-10-4-5-11-21(20)30-22/h1-5,8-11H,6-7,12-18H2,(H,25,29)
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195n/an/an/an/an/an/an/an/a



Florida A&M University

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from human recombinant 5HT1A receptor incubated for 1.5 hrs by microbeta scintillation counting method


Bioorg Med Chem 24: 3671-9 (2016)


Article DOI: 10.1016/j.bmc.2016.06.011
BindingDB Entry DOI: 10.7270/Q2W66NPV
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50183265
PNG
(CHEMBL3819567)
Show SMILES O=C1NCN(c2ccccc2)C11CCN(CCCCc2nc3ccccc3s2)CC1
Show InChI InChI=1S/C24H28N4OS/c29-23-24(28(18-25-23)19-8-2-1-3-9-19)13-16-27(17-14-24)15-7-6-12-22-26-20-10-4-5-11-21(20)30-22/h1-5,8-11H,6-7,12-18H2,(H,25,29)
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504n/an/an/an/an/an/an/an/a



Florida A&M University

Curated by ChEMBL


Assay Description
Displacement of [3H]Pyrilamine from human recombinant histamine H1 receptor incubated for 1.5 hrs by microbeta scintillation counting method


Bioorg Med Chem 24: 3671-9 (2016)


Article DOI: 10.1016/j.bmc.2016.06.011
BindingDB Entry DOI: 10.7270/Q2W66NPV
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50183265
PNG
(CHEMBL3819567)
Show SMILES O=C1NCN(c2ccccc2)C11CCN(CCCCc2nc3ccccc3s2)CC1
Show InChI InChI=1S/C24H28N4OS/c29-23-24(28(18-25-23)19-8-2-1-3-9-19)13-16-27(17-14-24)15-7-6-12-22-26-20-10-4-5-11-21(20)30-22/h1-5,8-11H,6-7,12-18H2,(H,25,29)
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626n/an/an/an/an/an/an/an/a



Florida A&M University

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human recombinant 5HT7 receptor incubated for 1.5 hrs by microbeta scintillation counting method


Bioorg Med Chem 24: 3671-9 (2016)


Article DOI: 10.1016/j.bmc.2016.06.011
BindingDB Entry DOI: 10.7270/Q2W66NPV
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50183265
PNG
(CHEMBL3819567)
Show SMILES O=C1NCN(c2ccccc2)C11CCN(CCCCc2nc3ccccc3s2)CC1
Show InChI InChI=1S/C24H28N4OS/c29-23-24(28(18-25-23)19-8-2-1-3-9-19)13-16-27(17-14-24)15-7-6-12-22-26-20-10-4-5-11-21(20)30-22/h1-5,8-11H,6-7,12-18H2,(H,25,29)
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631n/an/an/an/an/an/an/an/a



Florida A&M University

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human recombinant 5HT7 receptor incubated for 1.5 hrs by microbeta scintillation counting method


Bioorg Med Chem 24: 3671-9 (2016)


Article DOI: 10.1016/j.bmc.2016.06.011
BindingDB Entry DOI: 10.7270/Q2W66NPV
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50183265
PNG
(CHEMBL3819567)
Show SMILES O=C1NCN(c2ccccc2)C11CCN(CCCCc2nc3ccccc3s2)CC1
Show InChI InChI=1S/C24H28N4OS/c29-23-24(28(18-25-23)19-8-2-1-3-9-19)13-16-27(17-14-24)15-7-6-12-22-26-20-10-4-5-11-21(20)30-22/h1-5,8-11H,6-7,12-18H2,(H,25,29)
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>1.00E+4n/an/an/an/an/an/an/an/a



Florida A&M University

Curated by ChEMBL


Assay Description
Displacement of [3H]Ketanserin from human recombinant 5HT2A receptor incubated for 1.5 hrs by microbeta scintillation counting method


Bioorg Med Chem 24: 3671-9 (2016)


Article DOI: 10.1016/j.bmc.2016.06.011
BindingDB Entry DOI: 10.7270/Q2W66NPV
More data for this
Ligand-Target Pair