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BDBM50271489 1-(4-Bromo-7,8-dihydro-6H-furo[2,3-g]chromen-9-yl)propan-2-amine::CHEMBL520449

SMILES: CC(N)Cc1c2CCCOc2c(Br)c2ccoc12

InChI Key: InChIKey=OEZJAFWOXYNISY-UHFFFAOYSA-N

Data: 1 KI  1 EC50

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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 2 hits for monomerid = 50271489   
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 2A


(Rattus norvegicus (rat))
BDBM50271489
PNG
(1-(4-Bromo-7,8-dihydro-6H-furo[2,3-g]chromen-9-yl)...)
Show SMILES CC(N)Cc1c2CCCOc2c(Br)c2ccoc12
Show InChI InChI=1S/C14H16BrNO2/c1-8(16)7-11-9-3-2-5-17-14(9)12(15)10-4-6-18-13(10)11/h4,6,8H,2-3,5,7,16H2,1H3
PDB

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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
1n/an/an/an/an/an/an/an/a



University of Wisconsin-La Crosse

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from rat 5HT2A receptor expressed in mouse NIH3T3 cells


Bioorg Med Chem 16: 6242-51 (2008)


Article DOI: 10.1016/j.bmc.2008.04.030
BindingDB Entry DOI: 10.7270/Q2QZ29R4
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Rattus norvegicus (rat))
BDBM50271489
PNG
(1-(4-Bromo-7,8-dihydro-6H-furo[2,3-g]chromen-9-yl)...)
Show SMILES CC(N)Cc1c2CCCOc2c(Br)c2ccoc12
Show InChI InChI=1S/C14H16BrNO2/c1-8(16)7-11-9-3-2-5-17-14(9)12(15)10-4-6-18-13(10)11/h4,6,8H,2-3,5,7,16H2,1H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 13n/an/an/an/a



University of Wisconsin-La Crosse

Curated by ChEMBL


Assay Description
Agonist activity at rat 5HT2A receptor expressed in mouse NIH3T3 cells assessed as stimulation of inositol phosphate accumulation


Bioorg Med Chem 16: 6242-51 (2008)


Article DOI: 10.1016/j.bmc.2008.04.030
BindingDB Entry DOI: 10.7270/Q2QZ29R4
More data for this
Ligand-Target Pair