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BDBM50132095 5-Benzyl-2-(3-phenoxy-propyl)-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole::CHEMBL130586

SMILES: C(COc1ccccc1)CN1CCc2c(C1)c1ccccc1n2Cc1ccccc1

InChI Key: InChIKey=YOTAKMDVJZTBPZ-UHFFFAOYSA-N

Data: 3 KI

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50132095   
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
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50132095
PNG
(5-Benzyl-2-(3-phenoxy-propyl)-2,3,4,5-tetrahydro-1...)
Show SMILES C(COc1ccccc1)CN1CCc2c(C1)c1ccccc1n2Cc1ccccc1
Show InChI InChI=1S/C27H28N2O/c1-3-10-22(11-4-1)20-29-26-15-8-7-14-24(26)25-21-28(18-16-27(25)29)17-9-19-30-23-12-5-2-6-13-23/h1-8,10-15H,9,16-21H2
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PC sid
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65n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity towards rat 5-hydroxytryptamine 2A receptor expressed in NIH3T3 cells using [3H]ketanserin as radioligand


J Med Chem 46: 3930-7 (2003)


Article DOI: 10.1021/jm030080s
BindingDB Entry DOI: 10.7270/Q2V1245C
More data for this
Ligand-Target Pair
Serotonin receptor 2a and 2c (5HT2A and 5HT2C)


(Rattus norvegicus (Rat))
BDBM50132095
PNG
(5-Benzyl-2-(3-phenoxy-propyl)-2,3,4,5-tetrahydro-1...)
Show SMILES C(COc1ccccc1)CN1CCc2c(C1)c1ccccc1n2Cc1ccccc1
Show InChI InChI=1S/C27H28N2O/c1-3-10-22(11-4-1)20-29-26-15-8-7-14-24(26)25-21-28(18-16-27(25)29)17-9-19-30-23-12-5-2-6-13-23/h1-8,10-15H,9,16-21H2
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90n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity towards rat 5-hydroxytryptamine 2C receptor expressed in A-9 cells using [3H]mesulergine as radioligand


J Med Chem 46: 3930-7 (2003)


Article DOI: 10.1021/jm030080s
BindingDB Entry DOI: 10.7270/Q2V1245C
More data for this
Ligand-Target Pair
5-HT5


(MOUSE)
BDBM50132095
PNG
(5-Benzyl-2-(3-phenoxy-propyl)-2,3,4,5-tetrahydro-1...)
Show SMILES C(COc1ccccc1)CN1CCc2c(C1)c1ccccc1n2Cc1ccccc1
Show InChI InChI=1S/C27H28N2O/c1-3-10-22(11-4-1)20-29-26-15-8-7-14-24(26)25-21-28(18-16-27(25)29)17-9-19-30-23-12-5-2-6-13-23/h1-8,10-15H,9,16-21H2
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875n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity towards mouse 5-hydroxytryptamine 5A receptor using LSD as radioligand


J Med Chem 46: 3930-7 (2003)


Article DOI: 10.1021/jm030080s
BindingDB Entry DOI: 10.7270/Q2V1245C
More data for this
Ligand-Target Pair