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BDBM50246598 2-methyl-1-phenylpropan-2-amine::CHEMBL1574::PHENTERMINE::alpha,alpha-Dimethylphenethylamine

SMILES: CC(C)(N)Cc1ccccc1

InChI Key: InChIKey=DHHVAGZRUROJKS-UHFFFAOYSA-N

Data: 8 KI  1 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 9 hits for monomerid = 50246598   
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
Norepinephrine transporter


(RAT)
BDBM50246598
PNG
(2-methyl-1-phenylpropan-2-amine | CHEMBL1574 | PHE...)
Show SMILES CC(C)(N)Cc1ccccc1
Show InChI InChI=1S/C10H15N/c1-10(2,11)8-9-6-4-3-5-7-9/h3-7H,8,11H2,1-2H3
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Article
PubMed
244n/an/an/an/an/an/an/an/a



NIH

Curated by PDSP Ki Database




Synapse 39: 32-41 (2001)

More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50246598
PNG
(2-methyl-1-phenylpropan-2-amine | CHEMBL1574 | PHE...)
Show SMILES CC(C)(N)Cc1ccccc1
Show InChI InChI=1S/C10H15N/c1-10(2,11)8-9-6-4-3-5-7-9/h3-7H,8,11H2,1-2H3
KEGG

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PubMed
1.40E+3n/an/an/an/an/an/an/an/a



TBA

Curated by PDSP Ki Database




Mol Pharmacol 13: 454-73 (1977)

More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM50246598
PNG
(2-methyl-1-phenylpropan-2-amine | CHEMBL1574 | PHE...)
Show SMILES CC(C)(N)Cc1ccccc1
Show InChI InChI=1S/C10H15N/c1-10(2,11)8-9-6-4-3-5-7-9/h3-7H,8,11H2,1-2H3
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PubMed
1.58E+3n/an/an/an/an/an/an/an/a



NIH

Curated by PDSP Ki Database




Synapse 39: 32-41 (2001)

More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50246598
PNG
(2-methyl-1-phenylpropan-2-amine | CHEMBL1574 | PHE...)
Show SMILES CC(C)(N)Cc1ccccc1
Show InChI InChI=1S/C10H15N/c1-10(2,11)8-9-6-4-3-5-7-9/h3-7H,8,11H2,1-2H3
PDB

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



NIH

Curated by PDSP Ki Database




Synapse 39: 32-41 (2001)

More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50246598
PNG
(2-methyl-1-phenylpropan-2-amine | CHEMBL1574 | PHE...)
Show SMILES CC(C)(N)Cc1ccccc1
Show InChI InChI=1S/C10H15N/c1-10(2,11)8-9-6-4-3-5-7-9/h3-7H,8,11H2,1-2H3
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>1.00E+4n/an/an/an/an/an/an/an/a



NIH

Curated by PDSP Ki Database




Circulation 102: 2836-41 (2000)

More data for this
Ligand-Target Pair
Serotonin receptor (2b and 2c)


(Homo sapiens (human))
BDBM50246598
PNG
(2-methyl-1-phenylpropan-2-amine | CHEMBL1574 | PHE...)
Show SMILES CC(C)(N)Cc1ccccc1
Show InChI InChI=1S/C10H15N/c1-10(2,11)8-9-6-4-3-5-7-9/h3-7H,8,11H2,1-2H3
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>1.00E+4n/an/an/an/an/an/an/an/a



NIH

Curated by PDSP Ki Database




Circulation 102: 2836-41 (2000)

More data for this
Ligand-Target Pair
Serotonin receptor 2a and 2c (5HT2A and 5HT2C)


(Rattus norvegicus (Rat))
BDBM50246598
PNG
(2-methyl-1-phenylpropan-2-amine | CHEMBL1574 | PHE...)
Show SMILES CC(C)(N)Cc1ccccc1
Show InChI InChI=1S/C10H15N/c1-10(2,11)8-9-6-4-3-5-7-9/h3-7H,8,11H2,1-2H3
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PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



NIH

Curated by PDSP Ki Database




Circulation 102: 2836-41 (2000)

More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50246598
PNG
(2-methyl-1-phenylpropan-2-amine | CHEMBL1574 | PHE...)
Show SMILES CC(C)(N)Cc1ccccc1
Show InChI InChI=1S/C10H15N/c1-10(2,11)8-9-6-4-3-5-7-9/h3-7H,8,11H2,1-2H3
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PubMed
2.40E+4n/an/an/an/an/an/an/an/a



TBA

Curated by PDSP Ki Database




Mol Pharmacol 13: 454-73 (1977)

More data for this
Ligand-Target Pair
trace amine-associated receptor 1


(Homo sapiens)
BDBM50246598
PNG
(2-methyl-1-phenylpropan-2-amine | CHEMBL1574 | PHE...)
Show SMILES CC(C)(N)Cc1ccccc1
Show InChI InChI=1S/C10H15N/c1-10(2,11)8-9-6-4-3-5-7-9/h3-7H,8,11H2,1-2H3
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Article
PubMed
n/an/an/an/a 5.47E+3n/an/an/an/a



RTI International

Curated by ChEMBL


Assay Description
Agonist activity at human trace amine associated receptor 1 expressed in RD-HGA16 CHO-K1 cells coexpressed with Galpha16 protein assessed as internal...


Bioorg Med Chem 16: 7415-23 (2008)

More data for this
Ligand-Target Pair