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Compile Data Set for Download or QSAR

Found 7 hits of ki for drug = Adderall Xr   
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
Amine oxidase [flavin-containing] B


(Rattus norvegicus (rat))
BDBM50022723
PNG
((+)-(S)-amphetamine | (+)-alpha-methylphenethylami...)
Show SMILES C[C@H](N)Cc1ccccc1 |r|
Show InChI InChI=1S/C9H13N/c1-8(10)7-9-5-3-2-4-6-9/h2-6,8H,7,10H2,1H3/t8-/m0/s1
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1.60E+5n/an/an/an/an/an/an/an/a



Syntex Research

Curated by ChEMBL


Assay Description
Competitive inhibition of Rat liver Monoamine Oxidase B at 37 degree C (pH= 7.4)


J Med Chem 31: 1558-66 (1988)


BindingDB Entry DOI: 10.7270/Q21J9BCX
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Bos taurus)
BDBM50022723
PNG
((+)-(S)-amphetamine | (+)-alpha-methylphenethylami...)
Show SMILES C[C@H](N)Cc1ccccc1 |r|
Show InChI InChI=1S/C9H13N/c1-8(10)7-9-5-3-2-4-6-9/h2-6,8H,7,10H2,1H3/t8-/m0/s1
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3.00E+5n/an/an/an/an/an/an/an/a



Syntex Research

Curated by ChEMBL


Assay Description
Inhibitory activity against Monoamine Oxidase B of Bovine liver in competitive inhibition assay at 25 degree C (pH=7.4)


J Med Chem 31: 1558-66 (1988)


BindingDB Entry DOI: 10.7270/Q21J9BCX
More data for this
Ligand-Target Pair
Phenylethanolamine N-methyltransferase


(Bos taurus (bovine))
BDBM50022723
PNG
((+)-(S)-amphetamine | (+)-alpha-methylphenethylami...)
Show SMILES C[C@H](N)Cc1ccccc1 |r|
Show InChI InChI=1S/C9H13N/c1-8(10)7-9-5-3-2-4-6-9/h2-6,8H,7,10H2,1H3/t8-/m0/s1
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4.22E+5n/an/an/an/an/an/an/an/a



University of Kansas

Curated by ChEMBL


Assay Description
In vitro binding affinity of compound towards bovine adrenal phenylethanolamine N-methyl-transferase (PNMT)


J Med Chem 31: 1984-6 (1988)


BindingDB Entry DOI: 10.7270/Q2QF8TFD
More data for this
Ligand-Target Pair
Phenylethanolamine N-methyltransferase


(Bos taurus (bovine))
BDBM50022723
PNG
((+)-(S)-amphetamine | (+)-alpha-methylphenethylami...)
Show SMILES C[C@H](N)Cc1ccccc1 |r|
Show InChI InChI=1S/C9H13N/c1-8(10)7-9-5-3-2-4-6-9/h2-6,8H,7,10H2,1H3/t8-/m0/s1
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4.42E+5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against bovine adrenal norepinephrine N-methyl-transferase was determined


J Med Chem 25: 1248-50 (1983)


BindingDB Entry DOI: 10.7270/Q2S46SJ3
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Rattus norvegicus (rat))
BDBM50022723
PNG
((+)-(S)-amphetamine | (+)-alpha-methylphenethylami...)
Show SMILES C[C@H](N)Cc1ccccc1 |r|
Show InChI InChI=1S/C9H13N/c1-8(10)7-9-5-3-2-4-6-9/h2-6,8H,7,10H2,1H3/t8-/m0/s1
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5.80E+5n/an/an/an/an/an/an/an/a



Syntex Research

Curated by ChEMBL


Assay Description
Competitive inhibition of Rat liver Monoamine Oxidase B at 30 degree C (pH= 7.2)


J Med Chem 31: 1558-66 (1988)


BindingDB Entry DOI: 10.7270/Q21J9BCX
More data for this
Ligand-Target Pair
Phenylethanolamine N-methyltransferase


(Bos taurus (bovine))
BDBM50022723
PNG
((+)-(S)-amphetamine | (+)-alpha-methylphenethylami...)
Show SMILES C[C@H](N)Cc1ccccc1 |r|
Show InChI InChI=1S/C9H13N/c1-8(10)7-9-5-3-2-4-6-9/h2-6,8H,7,10H2,1H3/t8-/m0/s1
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1.38E+6n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against Norepinephrine N-methyltransferase of bovine adrenal glands


J Med Chem 25: 1198-204 (1983)


BindingDB Entry DOI: 10.7270/Q22V2F57
More data for this
Ligand-Target Pair
Phenylethanolamine N-methyltransferase


(Bos taurus (bovine))
BDBM50022723
PNG
((+)-(S)-amphetamine | (+)-alpha-methylphenethylami...)
Show SMILES C[C@H](N)Cc1ccccc1 |r|
Show InChI InChI=1S/C9H13N/c1-8(10)7-9-5-3-2-4-6-9/h2-6,8H,7,10H2,1H3/t8-/m0/s1
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PubMed
1.38E+6n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against Norepinephrine N-methyltransferase of bovine adrenal glands


J Med Chem 25: 1198-204 (1983)


BindingDB Entry DOI: 10.7270/Q22V2F57
More data for this
Ligand-Target Pair