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BDBM50097693 CHEMBL3589598

SMILES: COc1cc(CCNCc2cccc(O)c2)c(OC)cc1Br

InChI Key: InChIKey=MZWUFGTUXRBVNC-UHFFFAOYSA-N

Data: 2 KI

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50097693   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50097693
PNG
(CHEMBL3589598)
Show SMILES COc1cc(CCNCc2cccc(O)c2)c(OC)cc1Br
Show InChI InChI=1S/C17H20BrNO3/c1-21-16-10-15(18)17(22-2)9-13(16)6-7-19-11-12-4-3-5-14(20)8-12/h3-5,8-10,19-20H,6-7,11H2,1-2H3
PDB
MMDB

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Similars

Article
PubMed
1.30n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Binding affinity to 5-HT2A receptor (unknown origin) by PDSP assay


Bioorg Med Chem 23: 3933-7 (2015)


Article DOI: 10.1016/j.bmc.2014.12.011
BindingDB Entry DOI: 10.7270/Q2VX0J8W
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50097693
PNG
(CHEMBL3589598)
Show SMILES COc1cc(CCNCc2cccc(O)c2)c(OC)cc1Br
Show InChI InChI=1S/C17H20BrNO3/c1-21-16-10-15(18)17(22-2)9-13(16)6-7-19-11-12-4-3-5-14(20)8-12/h3-5,8-10,19-20H,6-7,11H2,1-2H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
21n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Binding affinity to 5-HT2C receptor (unknown origin) by PDSP assay


Bioorg Med Chem 23: 3933-7 (2015)


Article DOI: 10.1016/j.bmc.2014.12.011
BindingDB Entry DOI: 10.7270/Q2VX0J8W
More data for this
Ligand-Target Pair