new BindingDB logo
myBDB logout

BDBM50132096 5-Ethyl-2-(3-phenoxy-propyl)-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole::CHEMBL128099

SMILES: CCn1c2CCN(CCCOc3ccccc3)Cc2c2ccccc12

InChI Key: InChIKey=SPGBOZVYWAFGMF-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 50132096   
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))
BDBM50132096
PNG
(5-Ethyl-2-(3-phenoxy-propyl)-2,3,4,5-tetrahydro-1H...)
Show SMILES CCn1c2CCN(CCCOc3ccccc3)Cc2c2ccccc12
Show InChI InChI=1S/C22H26N2O/c1-2-24-21-12-7-6-11-19(21)20-17-23(15-13-22(20)24)14-8-16-25-18-9-4-3-5-10-18/h3-7,9-12H,2,8,13-17H2,1H3
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
50n/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
5-HT5


(MOUSE)
BDBM50132096
PNG
(5-Ethyl-2-(3-phenoxy-propyl)-2,3,4,5-tetrahydro-1H...)
Show SMILES CCn1c2CCN(CCCOc3ccccc3)Cc2c2ccccc12
Show InChI InChI=1S/C22H26N2O/c1-2-24-21-12-7-6-11-19(21)20-17-23(15-13-22(20)24)14-8-16-25-18-9-4-3-5-10-18/h3-7,9-12H,2,8,13-17H2,1H3
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
75n/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


(Homo sapiens (Human))
BDBM50132096
PNG
(5-Ethyl-2-(3-phenoxy-propyl)-2,3,4,5-tetrahydro-1H...)
Show SMILES CCn1c2CCN(CCCOc3ccccc3)Cc2c2ccccc12
Show InChI InChI=1S/C22H26N2O/c1-2-24-21-12-7-6-11-19(21)20-17-23(15-13-22(20)24)14-8-16-25-18-9-4-3-5-10-18/h3-7,9-12H,2,8,13-17H2,1H3
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
100n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity towards human 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 receptor 2a and 2c (5HT2A and 5HT2C)


(Rattus norvegicus (Rat))
BDBM50132096
PNG
(5-Ethyl-2-(3-phenoxy-propyl)-2,3,4,5-tetrahydro-1H...)
Show SMILES CCn1c2CCN(CCCOc3ccccc3)Cc2c2ccccc12
Show InChI InChI=1S/C22H26N2O/c1-2-24-21-12-7-6-11-19(21)20-17-23(15-13-22(20)24)14-8-16-25-18-9-4-3-5-10-18/h3-7,9-12H,2,8,13-17H2,1H3
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
215n/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