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BDBM50098525 2-(8-Bromo-benzo[1,2-b;4,5-b']difuran-4-yl)-1-methyl-ethyl-ammonium; chloride::CHEMBL6706

SMILES: C[C@@H]([NH3+])Cc1c2ccoc2c(Br)c2ccoc12

InChI Key: InChIKey=GIKPTWKWYXCBEC-SSDOTTSWSA-O

Data: 2 KI  1 EC50

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 = 50098525   
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 receptor 2a and 2c (5HT2A and 5HT2C)


(Rattus norvegicus (Rat))
BDBM50098525
PNG
(2-(8-Bromo-benzo[1,2-b;4,5-b']difuran-4-yl)-1-meth...)
Show SMILES C[C@@H]([NH3+])Cc1c2ccoc2c(Br)c2ccoc12
Show InChI InChI=1S/C13H12BrNO2/c1-7(15)6-10-8-2-4-17-13(8)11(14)9-3-5-16-12(9)10/h2-5,7H,6,15H2,1H3/p+1/t7-/m1/s1
KEGG

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.110n/an/an/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Binding affinity at cloned rat 5-hydroxytryptamine 2C receptor using [3H]-DOI as radioligand


J Med Chem 44: 1003-10 (2001)


Article DOI: 10.1021/jm000491y
BindingDB Entry DOI: 10.7270/Q27P8XND
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50098525
PNG
(2-(8-Bromo-benzo[1,2-b;4,5-b']difuran-4-yl)-1-meth...)
Show SMILES C[C@@H]([NH3+])Cc1c2ccoc2c(Br)c2ccoc12
Show InChI InChI=1S/C13H12BrNO2/c1-7(15)6-10-8-2-4-17-13(8)11(14)9-3-5-16-12(9)10/h2-5,7H,6,15H2,1H3/p+1/t7-/m1/s1
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KEGG

UniProtKB/SwissProt

GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.310n/an/an/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Binding affinity at cloned rat 5-hydroxytryptamine 2A receptor using [3H]-DOB as radioligand


J Med Chem 44: 1003-10 (2001)


Article DOI: 10.1021/jm000491y
BindingDB Entry DOI: 10.7270/Q27P8XND
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50098525
PNG
(2-(8-Bromo-benzo[1,2-b;4,5-b']difuran-4-yl)-1-meth...)
Show SMILES C[C@@H]([NH3+])Cc1c2ccoc2c(Br)c2ccoc12
Show InChI InChI=1S/C13H12BrNO2/c1-7(15)6-10-8-2-4-17-13(8)11(14)9-3-5-16-12(9)10/h2-5,7H,6,15H2,1H3/p+1/t7-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 2.70n/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Ability to stimulate phosphoinositide hydrolysis in NIH3T3 cells expressing the 5-hydroxytryptamine 2A receptor


J Med Chem 44: 1003-10 (2001)


Article DOI: 10.1021/jm000491y
BindingDB Entry DOI: 10.7270/Q27P8XND
More data for this
Ligand-Target Pair