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SMILES: CC(N)Cc1cc2CCNc2cc1C

InChI Key: InChIKey=KMDNCNZLZNDTAF-UHFFFAOYSA-N

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   Substructure
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50025078   
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 dopamine transporter


(Rattus norvegicus (rat))
BDBM50025078
PNG
(1-Methyl-2-(6-methyl-2,3-dihydro-1H-indol-5-yl)-et...)
Show SMILES CC(N)Cc1cc2CCNc2cc1C
Show InChI InChI=1S/C12H18N2/c1-8-5-12-10(3-4-14-12)7-11(8)6-9(2)13/h5,7,9,14H,3-4,6,13H2,1-2H3
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n/an/a 6.00E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vivo inhibition of DA uptake at dopamine uptake site


J Med Chem 29: 1406-12 (1986)


BindingDB Entry DOI: 10.7270/Q29022S9
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus)
BDBM50025078
PNG
(1-Methyl-2-(6-methyl-2,3-dihydro-1H-indol-5-yl)-et...)
Show SMILES CC(N)Cc1cc2CCNc2cc1C
Show InChI InChI=1S/C12H18N2/c1-8-5-12-10(3-4-14-12)7-11(8)6-9(2)13/h5,7,9,14H,3-4,6,13H2,1-2H3
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UniProtKB/TrEMBL

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n/an/a 6.00E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of NE uptake at NE uptake site


J Med Chem 29: 1406-12 (1986)


BindingDB Entry DOI: 10.7270/Q29022S9
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A/B


(Rattus norvegicus (rat))
BDBM50025078
PNG
(1-Methyl-2-(6-methyl-2,3-dihydro-1H-indol-5-yl)-et...)
Show SMILES CC(N)Cc1cc2CCNc2cc1C
Show InChI InChI=1S/C12H18N2/c1-8-5-12-10(3-4-14-12)7-11(8)6-9(2)13/h5,7,9,14H,3-4,6,13H2,1-2H3
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n/an/a 1.30E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested in vitro for inhibition of MAO by using [14C]5-HT as substrate in rat brain mitochondrial preparation


J Med Chem 29: 1406-12 (1986)


BindingDB Entry DOI: 10.7270/Q29022S9
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A/B


(Rattus norvegicus (rat))
BDBM50025078
PNG
(1-Methyl-2-(6-methyl-2,3-dihydro-1H-indol-5-yl)-et...)
Show SMILES CC(N)Cc1cc2CCNc2cc1C
Show InChI InChI=1S/C12H18N2/c1-8-5-12-10(3-4-14-12)7-11(8)6-9(2)13/h5,7,9,14H,3-4,6,13H2,1-2H3
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n/an/a 1.70E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested in vitro for inhibition of MAO by using [14C]phenylethylamine as substrate in rat brain mitochondrial preparation


J Med Chem 29: 1406-12 (1986)


BindingDB Entry DOI: 10.7270/Q29022S9
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50025078
PNG
(1-Methyl-2-(6-methyl-2,3-dihydro-1H-indol-5-yl)-et...)
Show SMILES CC(N)Cc1cc2CCNc2cc1C
Show InChI InChI=1S/C12H18N2/c1-8-5-12-10(3-4-14-12)7-11(8)6-9(2)13/h5,7,9,14H,3-4,6,13H2,1-2H3
PDB

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n/an/a>1.60E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested in vitro for inhibition of Serotonin transporter uptake at serotonin uptake site


J Med Chem 29: 1406-12 (1986)


BindingDB Entry DOI: 10.7270/Q29022S9
More data for this
Ligand-Target Pair