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Compile Data Set for Download or QSAR

Found 7 hits of ic50 for drug = Adderall 20   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Transporter


(Rattus norvegicus (rat))
BDBM50005246
PNG
(1-Phenylpropan-2-amin | 1-phenyl-2-aminopropane | ...)
Show SMILES CC(N)Cc1ccccc1
Show InChI InChI=1S/C9H13N/c1-8(10)7-9-5-3-2-4-6-9/h2-6,8H,7,10H2,1H3
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PubMed
n/an/a 200n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [3H]norepinephrine uptake at NET expressed in rat hypothalamic homogenate containing synaptosomes after 5 mins by scintillation countin...


J Med Chem 19: 725-7 (1976)


BindingDB Entry DOI: 10.7270/Q2FN17RB
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50005246
PNG
(1-Phenylpropan-2-amin | 1-phenyl-2-aminopropane | ...)
Show SMILES CC(N)Cc1ccccc1
Show InChI InChI=1S/C9H13N/c1-8(10)7-9-5-3-2-4-6-9/h2-6,8H,7,10H2,1H3
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PubMed
n/an/a 960n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [3H]dopamine uptake at dopamine transporter expressed in rat striatal homogenate after 5 mins by scintillation counting analysis


J Med Chem 19: 725-7 (1976)


BindingDB Entry DOI: 10.7270/Q2FN17RB
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(MOUSE)
BDBM50005246
PNG
(1-Phenylpropan-2-amin | 1-phenyl-2-aminopropane | ...)
Show SMILES CC(N)Cc1ccccc1
Show InChI InChI=1S/C9H13N/c1-8(10)7-9-5-3-2-4-6-9/h2-6,8H,7,10H2,1H3
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n/an/a 1.00E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of noradrenaline transporter in NMRI albino mouse brain assessed as [3H]NA accumulation in hypothalamus after 5 mins


J Med Chem 21: 78-82 (1978)


BindingDB Entry DOI: 10.7270/Q2P270P4
More data for this
Ligand-Target Pair
Cytochrome P450 2A5


(Mus musculus)
BDBM50005246
PNG
(1-Phenylpropan-2-amin | 1-phenyl-2-aminopropane | ...)
Show SMILES CC(N)Cc1ccccc1
Show InChI InChI=1S/C9H13N/c1-8(10)7-9-5-3-2-4-6-9/h2-6,8H,7,10H2,1H3
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Article
PubMed
n/an/a 2.85E+3n/an/an/an/an/an/a



University of Kuopio

Curated by ChEMBL


Assay Description
Inhibitory concentration against mouse cytochrome P450 2A5


J Med Chem 48: 440-9 (2005)


Article DOI: 10.1021/jm049536b
BindingDB Entry DOI: 10.7270/Q20C4WJV
More data for this
Ligand-Target Pair
Cytochrome P450 2A6


(Homo sapiens (Human))
BDBM50005246
PNG
(1-Phenylpropan-2-amin | 1-phenyl-2-aminopropane | ...)
Show SMILES CC(N)Cc1ccccc1
Show InChI InChI=1S/C9H13N/c1-8(10)7-9-5-3-2-4-6-9/h2-6,8H,7,10H2,1H3
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Article
PubMed
n/an/a 3.50E+3n/an/an/an/an/an/a



University of Kuopio

Curated by ChEMBL


Assay Description
Inhibitory concentration against human cytochrome P450 2A6


J Med Chem 48: 440-9 (2005)


Article DOI: 10.1021/jm049536b
BindingDB Entry DOI: 10.7270/Q20C4WJV
More data for this
Ligand-Target Pair
Solute carrier family 22 member 3


(Rattus norvegicus)
BDBM50005246
PNG
(1-Phenylpropan-2-amin | 1-phenyl-2-aminopropane | ...)
Show SMILES CC(N)Cc1ccccc1
Show InChI InChI=1S/C9H13N/c1-8(10)7-9-5-3-2-4-6-9/h2-6,8H,7,10H2,1H3
PDB
MMDB

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Article
PubMed
n/an/a 4.20E+4n/an/an/an/an/an/a



Medical College of Georgia

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: inhibition of MPP+ uptake (MPP+: 1 uM) in OCT3-expressing HRPE cells


J Biol Chem 273: 32776-86 (1998)


Article DOI: 10.1074/jbc.273.49.32776
BindingDB Entry DOI: 10.7270/Q2ZK5KHT
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(MOUSE)
BDBM50005246
PNG
(1-Phenylpropan-2-amin | 1-phenyl-2-aminopropane | ...)
Show SMILES CC(N)Cc1ccccc1
Show InChI InChI=1S/C9H13N/c1-8(10)7-9-5-3-2-4-6-9/h2-6,8H,7,10H2,1H3
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PubMed
n/an/a 4.50E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of 5-HT transporter in NMRI albino mouse brain assessed as [3H]5-HT accumulation in hypothalamus after 5 mins


J Med Chem 21: 78-82 (1978)


BindingDB Entry DOI: 10.7270/Q2P270P4
More data for this
Ligand-Target Pair