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BDBM50428896 CHEMBL2331807

SMILES: O=c1c2CCNCCc2on1Cc1ccccc1

InChI Key: InChIKey=BWAFYEDXZXBSIK-UHFFFAOYSA-N

Data: 2 KI  4 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 6 hits for monomerid = 50428896   
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 2C


(Homo sapiens (Human))
BDBM50428896
PNG
(CHEMBL2331807)
Show SMILES O=c1c2CCNCCc2on1Cc1ccccc1
Show InChI InChI=1S/C14H16N2O2/c17-14-12-6-8-15-9-7-13(12)18-16(14)10-11-4-2-1-3-5-11/h1-5,15H,6-10H2
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Article
PubMed
2.30E+3n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]mesulergine from human 5HT2C receptor expressed in tsA201 cell membranes after 1 hr by scintillation counting analysis


J Med Chem 56: 1211-27 (2013)


Article DOI: 10.1021/jm301656h
BindingDB Entry DOI: 10.7270/Q2ZP47GW
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50428896
PNG
(CHEMBL2331807)
Show SMILES O=c1c2CCNCCc2on1Cc1ccccc1
Show InChI InChI=1S/C14H16N2O2/c17-14-12-6-8-15-9-7-13(12)18-16(14)10-11-4-2-1-3-5-11/h1-5,15H,6-10H2
PDB
MMDB

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KEGG

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PC sid
UniChem

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Article
PubMed
8.80E+3n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from human 5HT2A receptor expressed in tsA201 cell membranes after 1 hr by scintillation counting analysis


J Med Chem 56: 1211-27 (2013)


Article DOI: 10.1021/jm301656h
BindingDB Entry DOI: 10.7270/Q2ZP47GW
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50428896
PNG
(CHEMBL2331807)
Show SMILES O=c1c2CCNCCc2on1Cc1ccccc1
Show InChI InChI=1S/C14H16N2O2/c17-14-12-6-8-15-9-7-13(12)18-16(14)10-11-4-2-1-3-5-11/h1-5,15H,6-10H2
Reactome pathway
KEGG

UniProtKB/SwissProt

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antibodypedia
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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 420n/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Agonist activity at human 5HT2C receptor expressed in HEK293 cells assessed as induction of intracellular calcium release measured for 90 secs by flu...


J Med Chem 56: 1211-27 (2013)


Article DOI: 10.1021/jm301656h
BindingDB Entry DOI: 10.7270/Q2ZP47GW
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50428896
PNG
(CHEMBL2331807)
Show SMILES O=c1c2CCNCCc2on1Cc1ccccc1
Show InChI InChI=1S/C14H16N2O2/c17-14-12-6-8-15-9-7-13(12)18-16(14)10-11-4-2-1-3-5-11/h1-5,15H,6-10H2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 2.40E+3n/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Agonist activity at human 5HT2A receptor expressed in HEK293 cells assessed as accumulation of IP1 incubated for 1 hr at 37 degC followed by 15 mins ...


J Med Chem 56: 1211-27 (2013)


Article DOI: 10.1021/jm301656h
BindingDB Entry DOI: 10.7270/Q2ZP47GW
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50428896
PNG
(CHEMBL2331807)
Show SMILES O=c1c2CCNCCc2on1Cc1ccccc1
Show InChI InChI=1S/C14H16N2O2/c17-14-12-6-8-15-9-7-13(12)18-16(14)10-11-4-2-1-3-5-11/h1-5,15H,6-10H2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 550n/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Agonist activity at human 5HT2A receptor expressed in HEK293 cells assessed as induction of intracellular calcium release measured for 90 secs by flu...


J Med Chem 56: 1211-27 (2013)


Article DOI: 10.1021/jm301656h
BindingDB Entry DOI: 10.7270/Q2ZP47GW
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50428896
PNG
(CHEMBL2331807)
Show SMILES O=c1c2CCNCCc2on1Cc1ccccc1
Show InChI InChI=1S/C14H16N2O2/c17-14-12-6-8-15-9-7-13(12)18-16(14)10-11-4-2-1-3-5-11/h1-5,15H,6-10H2
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 1.70E+3n/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Agonist activity at human 5HT2C receptor expressed in HEK293 cells assessed as accumulation of IP1 incubated for 1 hr at 37 degC followed by 15 mins ...


J Med Chem 56: 1211-27 (2013)


Article DOI: 10.1021/jm301656h
BindingDB Entry DOI: 10.7270/Q2ZP47GW
More data for this
Ligand-Target Pair