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BDBM50049081 2-[5-(8,8-Dimethyl-nonyloxy)-1H-indol-3-yl]-ethylamine::CHEMBL107617

SMILES: CC(C)(C)CCCCCCCOc1ccc2[nH]cc(CCN)c2c1

InChI Key: InChIKey=XBYWXUUTLMJGRO-UHFFFAOYSA-N

Data: 2 KI

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50049081   
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-hydroxytryptamine receptor 1B


(Homo sapiens (Human))
BDBM50049081
PNG
(2-[5-(8,8-Dimethyl-nonyloxy)-1H-indol-3-yl]-ethyla...)
Show SMILES CC(C)(C)CCCCCCCOc1ccc2[nH]cc(CCN)c2c1
Show InChI InChI=1S/C21H34N2O/c1-21(2,3)12-7-5-4-6-8-14-24-18-9-10-20-19(15-18)17(11-13-22)16-23-20/h9-10,15-16,23H,4-8,11-14,22H2,1-3H3
PDB

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UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
2n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity for recombinant human 5-hydroxytryptamine 1D receptor beta was determined using [3H]-5-HT as radioligand


J Med Chem 39: 314-22 (1996)


Article DOI: 10.1021/jm950498t
BindingDB Entry DOI: 10.7270/Q2DJ5DRK
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50049081
PNG
(2-[5-(8,8-Dimethyl-nonyloxy)-1H-indol-3-yl]-ethyla...)
Show SMILES CC(C)(C)CCCCCCCOc1ccc2[nH]cc(CCN)c2c1
Show InChI InChI=1S/C21H34N2O/c1-21(2,3)12-7-5-4-6-8-14-24-18-9-10-20-19(15-18)17(11-13-22)16-23-20/h9-10,15-16,23H,4-8,11-14,22H2,1-3H3
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
63n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
In vitro affinity at human cloned 5-hydroxytryptamine 1A receptor by [3H]-8-OH-DPAT displacement.


J Med Chem 39: 314-22 (1996)


Article DOI: 10.1021/jm950498t
BindingDB Entry DOI: 10.7270/Q2DJ5DRK
More data for this
Ligand-Target Pair