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BDBM50132115 2-[4-(4-Methoxy-phenyl)-butyl]-5-methyl-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole::CHEMBL128945

SMILES: COc1ccc(CCCCN2CCc3c(C2)c2ccccc2n3C)cc1

InChI Key: InChIKey=SZILRACVCKXHFI-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 50132115   
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
5-HT5


(MOUSE)
BDBM50132115
PNG
(2-[4-(4-Methoxy-phenyl)-butyl]-5-methyl-2,3,4,5-te...)
Show SMILES COc1ccc(CCCCN2CCc3c(C2)c2ccccc2n3C)cc1
Show InChI InChI=1S/C23H28N2O/c1-24-22-9-4-3-8-20(22)21-17-25(16-14-23(21)24)15-6-5-7-18-10-12-19(26-2)13-11-18/h3-4,8-13H,5-7,14-17H2,1-2H3
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PC sid
UniChem
Article
PubMed
90n/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
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50132115
PNG
(2-[4-(4-Methoxy-phenyl)-butyl]-5-methyl-2,3,4,5-te...)
Show SMILES COc1ccc(CCCCN2CCc3c(C2)c2ccccc2n3C)cc1
Show InChI InChI=1S/C23H28N2O/c1-24-22-9-4-3-8-20(22)21-17-25(16-14-23(21)24)15-6-5-7-18-10-12-19(26-2)13-11-18/h3-4,8-13H,5-7,14-17H2,1-2H3
Reactome pathway
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PC sid
UniChem
Article
PubMed
415n/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))
BDBM50132115
PNG
(2-[4-(4-Methoxy-phenyl)-butyl]-5-methyl-2,3,4,5-te...)
Show SMILES COc1ccc(CCCCN2CCc3c(C2)c2ccccc2n3C)cc1
Show InChI InChI=1S/C23H28N2O/c1-24-22-9-4-3-8-20(22)21-17-25(16-14-23(21)24)15-6-5-7-18-10-12-19(26-2)13-11-18/h3-4,8-13H,5-7,14-17H2,1-2H3
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
990n/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