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BDBM50132108 4-(5-Methyl-1,3,4,5-tetrahydro-pyrido[4,3-b]indol-2-yl)-1-phenyl-butan-1-one::CHEMBL129476

SMILES: Cn1c2CCN(CCCC(=O)c3ccccc3)Cc2c2ccccc12

InChI Key: InChIKey=PVSIEIHLLNZYRZ-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 = 50132108   
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))
BDBM50132108
PNG
(4-(5-Methyl-1,3,4,5-tetrahydro-pyrido[4,3-b]indol-...)
Show SMILES Cn1c2CCN(CCCC(=O)c3ccccc3)Cc2c2ccccc12
Show InChI InChI=1S/C22H24N2O/c1-23-20-11-6-5-10-18(20)19-16-24(15-13-21(19)23)14-7-12-22(25)17-8-3-2-4-9-17/h2-6,8-11H,7,12-16H2,1H3
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PC sid
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22n/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)
BDBM50132108
PNG
(4-(5-Methyl-1,3,4,5-tetrahydro-pyrido[4,3-b]indol-...)
Show SMILES Cn1c2CCN(CCCC(=O)c3ccccc3)Cc2c2ccccc12
Show InChI InChI=1S/C22H24N2O/c1-23-20-11-6-5-10-18(20)19-16-24(15-13-21(19)23)14-7-12-22(25)17-8-3-2-4-9-17/h2-6,8-11H,7,12-16H2,1H3
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135n/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))
BDBM50132108
PNG
(4-(5-Methyl-1,3,4,5-tetrahydro-pyrido[4,3-b]indol-...)
Show SMILES Cn1c2CCN(CCCC(=O)c3ccccc3)Cc2c2ccccc12
Show InChI InChI=1S/C22H24N2O/c1-23-20-11-6-5-10-18(20)19-16-24(15-13-21(19)23)14-7-12-22(25)17-8-3-2-4-9-17/h2-6,8-11H,7,12-16H2,1H3
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
168n/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