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BDBM50541199 CHEMBL4632473

SMILES: CC1CN2CCNCc3cc(Cl)c(Cl)c1c23

InChI Key: InChIKey=HRVADJILYKWTOP-UHFFFAOYSA-N

Data: 3 KI  3 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 = 50541199   
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 2C


(Homo sapiens (Human))
BDBM50541199
PNG
(CHEMBL4632473)
Show SMILES CC1CN2CCNCc3cc(Cl)c(Cl)c1c23
Show InChI InChI=1S/C12H14Cl2N2/c1-7-6-16-3-2-15-5-8-4-9(13)11(14)10(7)12(8)16/h4,7,15H,2-3,5-6H2,1H3
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2.80n/an/an/an/an/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [125I]-1,4-Iodanyl-2,5-dimethoxyphenyl)propan-2amine from 5HT2C receptor (unknown origin)


Bioorg Med Chem Lett 30: (2020)

More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50541199
PNG
(CHEMBL4632473)
Show SMILES CC1CN2CCNCc3cc(Cl)c(Cl)c1c23
Show InChI InChI=1S/C12H14Cl2N2/c1-7-6-16-3-2-15-5-8-4-9(13)11(14)10(7)12(8)16/h4,7,15H,2-3,5-6H2,1H3
PDB
MMDB

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PC cid
PC sid
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58n/an/an/an/an/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [125I]-1,4-Iodanyl-2,5-dimethoxyphenyl)propan-2amine from 5HT2A receptor (unknown origin)


Bioorg Med Chem Lett 30: (2020)

More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2B


(Homo sapiens (Human))
BDBM50541199
PNG
(CHEMBL4632473)
Show SMILES CC1CN2CCNCc3cc(Cl)c(Cl)c1c23
Show InChI InChI=1S/C12H14Cl2N2/c1-7-6-16-3-2-15-5-8-4-9(13)11(14)10(7)12(8)16/h4,7,15H,2-3,5-6H2,1H3
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UniChem
PubMed
168n/an/an/an/an/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [125I]-1,4-Iodanyl-2,5-dimethoxyphenyl)propan-2amine from 5HT2B receptor (unknown origin)


Bioorg Med Chem Lett 30: (2020)

More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50541199
PNG
(CHEMBL4632473)
Show SMILES CC1CN2CCNCc3cc(Cl)c(Cl)c1c23
Show InChI InChI=1S/C12H14Cl2N2/c1-7-6-16-3-2-15-5-8-4-9(13)11(14)10(7)12(8)16/h4,7,15H,2-3,5-6H2,1H3
PDB
MMDB

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PC cid
PC sid
UniChem
PubMed
n/an/an/an/a 1.12E+3n/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Partial agonist activity at 5HT2A receptor (unknown origin)


Bioorg Med Chem Lett 30: (2020)

More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50541199
PNG
(CHEMBL4632473)
Show SMILES CC1CN2CCNCc3cc(Cl)c(Cl)c1c23
Show InChI InChI=1S/C12H14Cl2N2/c1-7-6-16-3-2-15-5-8-4-9(13)11(14)10(7)12(8)16/h4,7,15H,2-3,5-6H2,1H3
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n/an/an/an/a 30n/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at 5HT2C receptor (unknown origin)


Bioorg Med Chem Lett 30: (2020)

More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2B


(Homo sapiens (Human))
BDBM50541199
PNG
(CHEMBL4632473)
Show SMILES CC1CN2CCNCc3cc(Cl)c(Cl)c1c23
Show InChI InChI=1S/C12H14Cl2N2/c1-7-6-16-3-2-15-5-8-4-9(13)11(14)10(7)12(8)16/h4,7,15H,2-3,5-6H2,1H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PubMed
n/an/an/an/a 800n/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at 5HT2B receptor (unknown origin)


Bioorg Med Chem Lett 30: (2020)

More data for this
Ligand-Target Pair