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BDBM50025215 CHEMBL3330641

SMILES: Cn1cc(CCN)c2ccccc12

InChI Key: InChIKey=CAAGZPJPCKMFBD-UHFFFAOYSA-N

Data: 4 EC50

PDB links: 1 PDB ID matches this monomer.

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 4 hits for monomerid = 50025215   
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
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50025215
PNG
(CHEMBL3330641)
Show SMILES Cn1cc(CCN)c2ccccc12
Show InChI InChI=1S/C11H14N2/c1-13-8-9(6-7-12)10-4-2-3-5-11(10)13/h2-5,8H,6-7,12H2,1H3
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n/an/an/an/a 53n/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Induction of 5-HTT-mediated 5-HT release in rat brain synaptosomes by [3H]5-HT release assay


Bioorg Med Chem Lett 24: 4754-8 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.062
BindingDB Entry DOI: 10.7270/Q2416ZNK
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50025215
PNG
(CHEMBL3330641)
Show SMILES Cn1cc(CCN)c2ccccc12
Show InChI InChI=1S/C11H14N2/c1-13-8-9(6-7-12)10-4-2-3-5-11(10)13/h2-5,8H,6-7,12H2,1H3
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n/an/an/an/a 209n/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Agonist activity at 5HT2A receptor (unknown origin) by cell based calcium mobilization assay


Bioorg Med Chem Lett 24: 4754-8 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.062
BindingDB Entry DOI: 10.7270/Q2416ZNK
More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM50025215
PNG
(CHEMBL3330641)
Show SMILES Cn1cc(CCN)c2ccccc12
Show InChI InChI=1S/C11H14N2/c1-13-8-9(6-7-12)10-4-2-3-5-11(10)13/h2-5,8H,6-7,12H2,1H3
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n/an/an/an/a>1.00E+4n/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Induction of DAT-mediated dopamine release in rat brain synaptosomes by [3H]DA release assay


Bioorg Med Chem Lett 24: 4754-8 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.062
BindingDB Entry DOI: 10.7270/Q2416ZNK
More data for this
Ligand-Target Pair
Norepinephrine Monoamine transporters


(Rattus norvegicus)
BDBM50025215
PNG
(CHEMBL3330641)
Show SMILES Cn1cc(CCN)c2ccccc12
Show InChI InChI=1S/C11H14N2/c1-13-8-9(6-7-12)10-4-2-3-5-11(10)13/h2-5,8H,6-7,12H2,1H3
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UniProtKB/TrEMBL

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Article
PubMed
n/an/an/an/a>1.00E+4n/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Induction of NET-mediated norepinephrine release in rat brain synaptosomes by [3H]NE release assay


Bioorg Med Chem Lett 24: 4754-8 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.062
BindingDB Entry DOI: 10.7270/Q2416ZNK
More data for this
Ligand-Target Pair