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Compile Data Set for Download or QSAR

Marvin 2D Structure

Wt: 160.2
BDBM55436
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Wt: 153.1
BDBM86194
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Wt: 149.2
BDBM86195
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Wt: 167.1
BDBM86197
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Wt: 117.1
BDBM86198
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Wt: 135.1
BDBM86202
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Wt: 121.1
BDBM86203
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Wt: 117.1
BDBM86205
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Wt: 165.2
BDBM86284
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Wt: 163.2
BDBM86285
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Wt: 149.1
BDBM86286
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Wt: 151.2
BDBM50022722
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Wt: 153.2
BDBM50050094
Wt: 128.1
BDBM50159249
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Wt: 156.1
BDBM50212994
Displayed 1 to 15 (of 591 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 509 hits in this display   
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
Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50159249
PNG
(CHEMBL16293 | Naphthalen | Naphthalin | naftaleno ...)
Show SMILES c1ccc2ccccc2c1
Show InChI InChI=1S/C10H8/c1-2-6-10-8-4-3-7-9(10)5-1/h1-8H
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3.31n/an/an/an/an/an/an/an/a



Roche Bioscience

Curated by PDSP Ki Database




Biochem Pharmacol 55: 1035-43 (1998)


BindingDB Entry DOI: 10.7270/Q2T72G01
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50159249
PNG
(CHEMBL16293 | Naphthalen | Naphthalin | naftaleno ...)
Show SMILES c1ccc2ccccc2c1
Show InChI InChI=1S/C10H8/c1-2-6-10-8-4-3-7-9(10)5-1/h1-8H
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4.57n/an/an/an/an/an/an/an/a



Roche Bioscience

Curated by PDSP Ki Database




Biochem Pharmacol 55: 1035-43 (1998)


BindingDB Entry DOI: 10.7270/Q2T72G01
More data for this
Ligand-Target Pair
ADRA2A


(MOUSE)
BDBM50159249
PNG
(CHEMBL16293 | Naphthalen | Naphthalin | naftaleno ...)
Show SMILES c1ccc2ccccc2c1
Show InChI InChI=1S/C10H8/c1-2-6-10-8-4-3-7-9(10)5-1/h1-8H
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7.76n/an/an/an/an/an/an/an/a



Roche Bioscience

Curated by PDSP Ki Database




Biochem Pharmacol 55: 1035-43 (1998)


BindingDB Entry DOI: 10.7270/Q2T72G01
More data for this
Ligand-Target Pair
ADRA2A


(MOUSE)
BDBM50159249
PNG
(CHEMBL16293 | Naphthalen | Naphthalin | naftaleno ...)
Show SMILES c1ccc2ccccc2c1
Show InChI InChI=1S/C10H8/c1-2-6-10-8-4-3-7-9(10)5-1/h1-8H
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9.33n/an/an/an/an/an/an/an/a



Roche Bioscience

Curated by PDSP Ki Database




Biochem Pharmacol 55: 1035-43 (1998)


BindingDB Entry DOI: 10.7270/Q2T72G01
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (human))
BDBM86286
PNG
(CAS_62258 | Cathinone, (-) | NSC_62258)
Show SMILES CC(N)C(=O)c1ccccc1
Show InChI InChI=1S/C9H11NO/c1-7(10)9(11)8-5-3-2-4-6-8/h2-7H,10H2,1H3
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12.4n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse

Curated by PDSP Ki Database




J Pharmacol Exp Ther 307: 138-45 (2003)


Article DOI: 10.1124/jpet.103.053975
BindingDB Entry DOI: 10.7270/Q28W3BVJ
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (human))
BDBM86285
PNG
(CAS_1576 | Methcathinone, (-) | NSC_1576)
Show SMILES CNC(C)C(=O)c1ccccc1
Show InChI InChI=1S/C10H13NO/c1-8(11-2)10(12)9-6-4-3-5-7-9/h3-8,11H,1-2H3
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13.1n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse

Curated by PDSP Ki Database




J Pharmacol Exp Ther 307: 138-45 (2003)


Article DOI: 10.1124/jpet.103.053975
BindingDB Entry DOI: 10.7270/Q28W3BVJ
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (human))
BDBM86285
PNG
(CAS_1576 | Methcathinone, (-) | NSC_1576)
Show SMILES CNC(C)C(=O)c1ccccc1
Show InChI InChI=1S/C10H13NO/c1-8(11-2)10(12)9-6-4-3-5-7-9/h3-8,11H,1-2H3
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14.8n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse

Curated by PDSP Ki Database




J Pharmacol Exp Ther 307: 138-45 (2003)


Article DOI: 10.1124/jpet.103.053975
BindingDB Entry DOI: 10.7270/Q28W3BVJ
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (human))
BDBM50022722
PNG
((+)2-Amino-1-phenyl-propan-1-ol | (1R, 2R)-2-Amino...)
Show SMILES CC(N)C(O)c1ccccc1
Show InChI InChI=1S/C9H13NO/c1-7(10)9(11)8-5-3-2-4-6-8/h2-7,9,11H,10H2,1H3
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15n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse

Curated by PDSP Ki Database




J Pharmacol Exp Ther 307: 138-45 (2003)


Article DOI: 10.1124/jpet.103.053975
BindingDB Entry DOI: 10.7270/Q28W3BVJ
More data for this
Ligand-Target Pair
Alpha-2B adrenergic receptor


(Homo sapiens (Human))
BDBM50159249
PNG
(CHEMBL16293 | Naphthalen | Naphthalin | naftaleno ...)
Show SMILES c1ccc2ccccc2c1
Show InChI InChI=1S/C10H8/c1-2-6-10-8-4-3-7-9(10)5-1/h1-8H
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17.0n/an/an/an/an/an/an/an/a



Roche Bioscience

Curated by PDSP Ki Database




Biochem Pharmacol 55: 1035-43 (1998)


BindingDB Entry DOI: 10.7270/Q2T72G01
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (human))
BDBM86286
PNG
(CAS_62258 | Cathinone, (-) | NSC_62258)
Show SMILES CC(N)C(=O)c1ccccc1
Show InChI InChI=1S/C9H11NO/c1-7(10)9(11)8-5-3-2-4-6-8/h2-7H,10H2,1H3
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18.5n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse

Curated by PDSP Ki Database




J Pharmacol Exp Ther 307: 138-45 (2003)


Article DOI: 10.1124/jpet.103.053975
BindingDB Entry DOI: 10.7270/Q28W3BVJ
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM55436
PNG
(2-(phenylmethyl)-4,5-dihydro-1H-imidazole;hydrochl...)
Show SMILES C(C1=NCCN1)c1ccccc1
Show InChI InChI=1S/C10H12N2/c1-2-4-9(5-3-1)8-10-11-6-7-12-10/h1-5H,6-8H2,(H,11,12)
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24n/an/an/an/an/an/an/an/a



University of Nebraska

Curated by PDSP Ki Database




J Pharmacol Exp Ther 259: 323-9 (1991)


BindingDB Entry DOI: 10.7270/Q2Z899WV
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (human))
BDBM50022722
PNG
((+)2-Amino-1-phenyl-propan-1-ol | (1R, 2R)-2-Amino...)
Show SMILES CC(N)C(O)c1ccccc1
Show InChI InChI=1S/C9H13NO/c1-7(10)9(11)8-5-3-2-4-6-8/h2-7,9,11H,10H2,1H3
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30.1n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse

Curated by PDSP Ki Database




J Pharmacol Exp Ther 307: 138-45 (2003)


Article DOI: 10.1124/jpet.103.053975
BindingDB Entry DOI: 10.7270/Q28W3BVJ
More data for this
Ligand-Target Pair
Imidazoline receptor 1 (I1R)


(Homo sapiens (Human))
BDBM50050094
PNG
(3-Isopropyl-bicyclo[2.2.1]hept-2-ylamine | CHEMBL4...)
Show SMILES CC(C)C1C2CCC(C2)C1N
Show InChI InChI=1S/C10H19N/c1-6(2)9-7-3-4-8(5-7)10(9)11/h6-10H,3-5,11H2,1-2H3
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42n/an/an/an/an/an/an/an/a



Allergan Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]-clonidine from bovine imidazoline receptor I-1


J Med Chem 39: 1193-5 (1996)


Article DOI: 10.1021/jm960012o
BindingDB Entry DOI: 10.7270/Q2NZ889J
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (human))
BDBM50022722
PNG
((+)2-Amino-1-phenyl-propan-1-ol | (1R, 2R)-2-Amino...)
Show SMILES CC(N)C(O)c1ccccc1
Show InChI InChI=1S/C9H13NO/c1-7(10)9(11)8-5-3-2-4-6-8/h2-7,9,11H,10H2,1H3
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42.1n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse

Curated by PDSP Ki Database




J Pharmacol Exp Ther 307: 138-45 (2003)


Article DOI: 10.1124/jpet.103.053975
BindingDB Entry DOI: 10.7270/Q28W3BVJ
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (human))
BDBM86284
PNG
(CAS_24221-86-1 | CAS_5032 | Ephedrine,(+) | Ephedr...)
Show SMILES CNC(C)C(O)c1ccccc1
Show InChI InChI=1S/C10H15NO/c1-8(11-2)10(12)9-6-4-3-5-7-9/h3-8,10-12H,1-2H3
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43.1n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse

Curated by PDSP Ki Database




J Pharmacol Exp Ther 307: 138-45 (2003)


Article DOI: 10.1124/jpet.103.053975
BindingDB Entry DOI: 10.7270/Q28W3BVJ
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (human))
BDBM50022722
PNG
((+)2-Amino-1-phenyl-propan-1-ol | (1R, 2R)-2-Amino...)
Show SMILES CC(N)C(O)c1ccccc1
Show InChI InChI=1S/C9H13NO/c1-7(10)9(11)8-5-3-2-4-6-8/h2-7,9,11H,10H2,1H3
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68.3n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse

Curated by PDSP Ki Database




J Pharmacol Exp Ther 307: 138-45 (2003)


Article DOI: 10.1124/jpet.103.053975
BindingDB Entry DOI: 10.7270/Q28W3BVJ
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(NEONATAL RAT)
BDBM55436
PNG
(2-(phenylmethyl)-4,5-dihydro-1H-imidazole;hydrochl...)
Show SMILES C(C1=NCCN1)c1ccccc1
Show InChI InChI=1S/C10H12N2/c1-2-4-9(5-3-1)8-10-11-6-7-12-10/h1-5H,6-8H2,(H,11,12)
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113n/an/an/an/an/an/an/an/a



University of Nebraska

Curated by PDSP Ki Database




J Pharmacol Exp Ther 259: 323-9 (1991)


BindingDB Entry DOI: 10.7270/Q2Z899WV
More data for this
Ligand-Target Pair
adrenergic Alpha2


(RAT)
BDBM55436
PNG
(2-(phenylmethyl)-4,5-dihydro-1H-imidazole;hydrochl...)
Show SMILES C(C1=NCCN1)c1ccccc1
Show InChI InChI=1S/C10H12N2/c1-2-4-9(5-3-1)8-10-11-6-7-12-10/h1-5H,6-8H2,(H,11,12)
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120n/an/an/an/an/an/an/an/a



Janssen Pharmaceutica

Curated by PDSP Ki Database




Eur J Pharmacol 129: 49-55 (1986)


BindingDB Entry DOI: 10.7270/Q27S7M8D
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (human))
BDBM50022722
PNG
((+)2-Amino-1-phenyl-propan-1-ol | (1R, 2R)-2-Amino...)
Show SMILES CC(N)C(O)c1ccccc1
Show InChI InChI=1S/C9H13NO/c1-7(10)9(11)8-5-3-2-4-6-8/h2-7,9,11H,10H2,1H3
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137n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse

Curated by PDSP Ki Database




J Pharmacol Exp Ther 307: 138-45 (2003)


Article DOI: 10.1124/jpet.103.053975
BindingDB Entry DOI: 10.7270/Q28W3BVJ
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Rattus norvegicus (Rat))
BDBM55436
PNG
(2-(phenylmethyl)-4,5-dihydro-1H-imidazole;hydrochl...)
Show SMILES C(C1=NCCN1)c1ccccc1
Show InChI InChI=1S/C10H12N2/c1-2-4-9(5-3-1)8-10-11-6-7-12-10/h1-5H,6-8H2,(H,11,12)
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180n/an/an/an/an/an/an/an/a



TBA

Curated by PDSP Ki Database




Mol Pharmacol 13: 454-73 (1977)


BindingDB Entry DOI: 10.7270/Q2TT4PFZ
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(RAT-NEONATAL RAT-Rattus norvegicus (rat))
BDBM55436
PNG
(2-(phenylmethyl)-4,5-dihydro-1H-imidazole;hydrochl...)
Show SMILES C(C1=NCCN1)c1ccccc1
Show InChI InChI=1S/C10H12N2/c1-2-4-9(5-3-1)8-10-11-6-7-12-10/h1-5H,6-8H2,(H,11,12)
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180n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]clonidine from Alpha-2 adrenergic receptor of rat brain membranes


J Med Chem 25: 1389-401 (1982)


Article DOI: 10.1021/jm00354a001
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (human))
BDBM86284
PNG
(CAS_24221-86-1 | CAS_5032 | Ephedrine,(+) | Ephedr...)
Show SMILES CNC(C)C(O)c1ccccc1
Show InChI InChI=1S/C10H15NO/c1-8(11-2)10(12)9-6-4-3-5-7-9/h3-8,10-12H,1-2H3
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218n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse

Curated by PDSP Ki Database




J Pharmacol Exp Ther 307: 138-45 (2003)


Article DOI: 10.1124/jpet.103.053975
BindingDB Entry DOI: 10.7270/Q28W3BVJ
More data for this
Ligand-Target Pair
ADRA2C


(OK)
BDBM55436
PNG
(2-(phenylmethyl)-4,5-dihydro-1H-imidazole;hydrochl...)
Show SMILES C(C1=NCCN1)c1ccccc1
Show InChI InChI=1S/C10H12N2/c1-2-4-9(5-3-1)8-10-11-6-7-12-10/h1-5H,6-8H2,(H,11,12)
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222n/an/an/an/an/an/an/an/a



University of Nebraska

Curated by PDSP Ki Database




J Pharmacol Exp Ther 259: 323-9 (1991)


BindingDB Entry DOI: 10.7270/Q2Z899WV
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM55436
PNG
(2-(phenylmethyl)-4,5-dihydro-1H-imidazole;hydrochl...)
Show SMILES C(C1=NCCN1)c1ccccc1
Show InChI InChI=1S/C10H12N2/c1-2-4-9(5-3-1)8-10-11-6-7-12-10/h1-5H,6-8H2,(H,11,12)
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229n/an/an/an/an/an/an/an/a



Roche Bioscience

Curated by PDSP Ki Database




Biochem Pharmacol 55: 1035-43 (1998)


BindingDB Entry DOI: 10.7270/Q2T72G01
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (human))
BDBM86284
PNG
(CAS_24221-86-1 | CAS_5032 | Ephedrine,(+) | Ephedr...)
Show SMILES CNC(C)C(O)c1ccccc1
Show InChI InChI=1S/C10H15NO/c1-8(11-2)10(12)9-6-4-3-5-7-9/h3-8,10-12H,1-2H3
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236n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse

Curated by PDSP Ki Database




J Pharmacol Exp Ther 307: 138-45 (2003)


Article DOI: 10.1124/jpet.103.053975
BindingDB Entry DOI: 10.7270/Q28W3BVJ
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50022722
PNG
((+)2-Amino-1-phenyl-propan-1-ol | (1R, 2R)-2-Amino...)
Show SMILES CC(N)C(O)c1ccccc1
Show InChI InChI=1S/C9H13NO/c1-7(10)9(11)8-5-3-2-4-6-8/h2-7,9,11H,10H2,1H3
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PubMed
265n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse

Curated by PDSP Ki Database




J Pharmacol Exp Ther 307: 138-45 (2003)


Article DOI: 10.1124/jpet.103.053975
BindingDB Entry DOI: 10.7270/Q28W3BVJ
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (human))
BDBM50022722
PNG
((+)2-Amino-1-phenyl-propan-1-ol | (1R, 2R)-2-Amino...)
Show SMILES CC(N)C(O)c1ccccc1
Show InChI InChI=1S/C9H13NO/c1-7(10)9(11)8-5-3-2-4-6-8/h2-7,9,11H,10H2,1H3
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294n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse

Curated by PDSP Ki Database




J Pharmacol Exp Ther 307: 138-45 (2003)


Article DOI: 10.1124/jpet.103.053975
BindingDB Entry DOI: 10.7270/Q28W3BVJ
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (human))
BDBM50022722
PNG
((+)2-Amino-1-phenyl-propan-1-ol | (1R, 2R)-2-Amino...)
Show SMILES CC(N)C(O)c1ccccc1
Show InChI InChI=1S/C9H13NO/c1-7(10)9(11)8-5-3-2-4-6-8/h2-7,9,11H,10H2,1H3
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302n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse

Curated by PDSP Ki Database




J Pharmacol Exp Ther 307: 138-45 (2003)


Article DOI: 10.1124/jpet.103.053975
BindingDB Entry DOI: 10.7270/Q28W3BVJ
More data for this
Ligand-Target Pair
Alpha-2B adrenergic receptor


(Homo sapiens (Human))
BDBM50022722
PNG
((+)2-Amino-1-phenyl-propan-1-ol | (1R, 2R)-2-Amino...)
Show SMILES CC(N)C(O)c1ccccc1
Show InChI InChI=1S/C9H13NO/c1-7(10)9(11)8-5-3-2-4-6-8/h2-7,9,11H,10H2,1H3
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400n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse

Curated by PDSP Ki Database




J Pharmacol Exp Ther 307: 138-45 (2003)


Article DOI: 10.1124/jpet.103.053975
BindingDB Entry DOI: 10.7270/Q28W3BVJ
More data for this
Ligand-Target Pair
adrenergic Alpha2


(RAT)
BDBM55436
PNG
(2-(phenylmethyl)-4,5-dihydro-1H-imidazole;hydrochl...)
Show SMILES C(C1=NCCN1)c1ccccc1
Show InChI InChI=1S/C10H12N2/c1-2-4-9(5-3-1)8-10-11-6-7-12-10/h1-5H,6-8H2,(H,11,12)
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450n/an/an/an/an/an/an/an/a



Janssen Pharmaceutica

Curated by PDSP Ki Database




Eur J Pharmacol 129: 49-55 (1986)


BindingDB Entry DOI: 10.7270/Q27S7M8D
More data for this
Ligand-Target Pair
adrenergic Alpha2


(RAT)
BDBM55436
PNG
(2-(phenylmethyl)-4,5-dihydro-1H-imidazole;hydrochl...)
Show SMILES C(C1=NCCN1)c1ccccc1
Show InChI InChI=1S/C10H12N2/c1-2-4-9(5-3-1)8-10-11-6-7-12-10/h1-5H,6-8H2,(H,11,12)
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500n/an/an/an/an/an/an/an/a



Janssen Pharmaceutica

Curated by PDSP Ki Database




Eur J Pharmacol 129: 49-55 (1986)


BindingDB Entry DOI: 10.7270/Q27S7M8D
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50022722
PNG
((+)2-Amino-1-phenyl-propan-1-ol | (1R, 2R)-2-Amino...)
Show SMILES CC(N)C(O)c1ccccc1
Show InChI InChI=1S/C9H13NO/c1-7(10)9(11)8-5-3-2-4-6-8/h2-7,9,11H,10H2,1H3
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597n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse

Curated by PDSP Ki Database




J Pharmacol Exp Ther 307: 138-45 (2003)


Article DOI: 10.1124/jpet.103.053975
BindingDB Entry DOI: 10.7270/Q28W3BVJ
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM86285
PNG
(CAS_1576 | Methcathinone, (-) | NSC_1576)
Show SMILES CNC(C)C(=O)c1ccccc1
Show InChI InChI=1S/C10H13NO/c1-8(11-2)10(12)9-6-4-3-5-7-9/h3-8,11H,1-2H3
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605n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse

Curated by PDSP Ki Database




J Pharmacol Exp Ther 307: 138-45 (2003)


Article DOI: 10.1124/jpet.103.053975
BindingDB Entry DOI: 10.7270/Q28W3BVJ
More data for this
Ligand-Target Pair
Alpha-2B adrenergic receptor


(Homo sapiens (Human))
BDBM86284
PNG
(CAS_24221-86-1 | CAS_5032 | Ephedrine,(+) | Ephedr...)
Show SMILES CNC(C)C(O)c1ccccc1
Show InChI InChI=1S/C10H15NO/c1-8(11-2)10(12)9-6-4-3-5-7-9/h3-8,10-12H,1-2H3
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648n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse

Curated by PDSP Ki Database




J Pharmacol Exp Ther 307: 138-45 (2003)


Article DOI: 10.1124/jpet.103.053975
BindingDB Entry DOI: 10.7270/Q28W3BVJ
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Rattus norvegicus (Rat))
BDBM86284
PNG
(CAS_24221-86-1 | CAS_5032 | Ephedrine,(+) | Ephedr...)
Show SMILES CNC(C)C(O)c1ccccc1
Show InChI InChI=1S/C10H15NO/c1-8(11-2)10(12)9-6-4-3-5-7-9/h3-8,10-12H,1-2H3
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700n/an/an/an/an/an/an/an/a



TBA

Curated by PDSP Ki Database




Mol Pharmacol 13: 454-73 (1977)


BindingDB Entry DOI: 10.7270/Q2TT4PFZ
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM86284
PNG
(CAS_24221-86-1 | CAS_5032 | Ephedrine,(+) | Ephedr...)
Show SMILES CNC(C)C(O)c1ccccc1
Show InChI InChI=1S/C10H15NO/c1-8(11-2)10(12)9-6-4-3-5-7-9/h3-8,10-12H,1-2H3
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708n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse

Curated by PDSP Ki Database




J Pharmacol Exp Ther 307: 138-45 (2003)


Article DOI: 10.1124/jpet.103.053975
BindingDB Entry DOI: 10.7270/Q28W3BVJ
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM86286
PNG
(CAS_62258 | Cathinone, (-) | NSC_62258)
Show SMILES CC(N)C(=O)c1ccccc1
Show InChI InChI=1S/C9H11NO/c1-7(10)9(11)8-5-3-2-4-6-8/h2-7H,10H2,1H3
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765n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse

Curated by PDSP Ki Database




J Pharmacol Exp Ther 307: 138-45 (2003)


Article DOI: 10.1124/jpet.103.053975
BindingDB Entry DOI: 10.7270/Q28W3BVJ
More data for this
Ligand-Target Pair
adrenergic Alpha2


(RAT)
BDBM55436
PNG
(2-(phenylmethyl)-4,5-dihydro-1H-imidazole;hydrochl...)
Show SMILES C(C1=NCCN1)c1ccccc1
Show InChI InChI=1S/C10H12N2/c1-2-4-9(5-3-1)8-10-11-6-7-12-10/h1-5H,6-8H2,(H,11,12)
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890n/an/an/an/an/an/an/an/a



Janssen Pharmaceutica

Curated by PDSP Ki Database




Eur J Pharmacol 129: 49-55 (1986)


BindingDB Entry DOI: 10.7270/Q27S7M8D
More data for this
Ligand-Target Pair
Alpha-2B adrenergic receptor


(Homo sapiens (Human))
BDBM86286
PNG
(CAS_62258 | Cathinone, (-) | NSC_62258)
Show SMILES CC(N)C(=O)c1ccccc1
Show InChI InChI=1S/C9H11NO/c1-7(10)9(11)8-5-3-2-4-6-8/h2-7H,10H2,1H3
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918n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse

Curated by PDSP Ki Database




J Pharmacol Exp Ther 307: 138-45 (2003)


Article DOI: 10.1124/jpet.103.053975
BindingDB Entry DOI: 10.7270/Q28W3BVJ
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 7 (5-HT7)


(Homo sapiens (human))
BDBM86285
PNG
(CAS_1576 | Methcathinone, (-) | NSC_1576)
Show SMILES CNC(C)C(=O)c1ccccc1
Show InChI InChI=1S/C10H13NO/c1-8(11-2)10(12)9-6-4-3-5-7-9/h3-8,11H,1-2H3
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PubMed
1.00E+3n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse

Curated by PDSP Ki Database




J Pharmacol Exp Ther 307: 138-45 (2003)


Article DOI: 10.1124/jpet.103.053975
BindingDB Entry DOI: 10.7270/Q28W3BVJ
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM86284
PNG
(CAS_24221-86-1 | CAS_5032 | Ephedrine,(+) | Ephedr...)
Show SMILES CNC(C)C(O)c1ccccc1
Show InChI InChI=1S/C10H15NO/c1-8(11-2)10(12)9-6-4-3-5-7-9/h3-8,10-12H,1-2H3
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1.22E+3n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse

Curated by PDSP Ki Database




J Pharmacol Exp Ther 307: 138-45 (2003)


Article DOI: 10.1124/jpet.103.053975
BindingDB Entry DOI: 10.7270/Q28W3BVJ
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50022722
PNG
((+)2-Amino-1-phenyl-propan-1-ol | (1R, 2R)-2-Amino...)
Show SMILES CC(N)C(O)c1ccccc1
Show InChI InChI=1S/C9H13NO/c1-7(10)9(11)8-5-3-2-4-6-8/h2-7,9,11H,10H2,1H3
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PubMed
1.33E+3n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse

Curated by PDSP Ki Database




J Pharmacol Exp Ther 307: 138-45 (2003)


Article DOI: 10.1124/jpet.103.053975
BindingDB Entry DOI: 10.7270/Q28W3BVJ
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (human))
BDBM50022722
PNG
((+)2-Amino-1-phenyl-propan-1-ol | (1R, 2R)-2-Amino...)
Show SMILES CC(N)C(O)c1ccccc1
Show InChI InChI=1S/C9H13NO/c1-7(10)9(11)8-5-3-2-4-6-8/h2-7,9,11H,10H2,1H3
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PubMed
1.37E+3n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse

Curated by PDSP Ki Database




J Pharmacol Exp Ther 307: 138-45 (2003)


Article DOI: 10.1124/jpet.103.053975
BindingDB Entry DOI: 10.7270/Q28W3BVJ
More data for this
Ligand-Target Pair
Alpha-2B adrenergic receptor


(Homo sapiens (Human))
BDBM86285
PNG
(CAS_1576 | Methcathinone, (-) | NSC_1576)
Show SMILES CNC(C)C(=O)c1ccccc1
Show InChI InChI=1S/C10H13NO/c1-8(11-2)10(12)9-6-4-3-5-7-9/h3-8,11H,1-2H3
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PubMed
1.54E+3n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse

Curated by PDSP Ki Database




J Pharmacol Exp Ther 307: 138-45 (2003)


Article DOI: 10.1124/jpet.103.053975
BindingDB Entry DOI: 10.7270/Q28W3BVJ
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50022722
PNG
((+)2-Amino-1-phenyl-propan-1-ol | (1R, 2R)-2-Amino...)
Show SMILES CC(N)C(O)c1ccccc1
Show InChI InChI=1S/C9H13NO/c1-7(10)9(11)8-5-3-2-4-6-8/h2-7,9,11H,10H2,1H3
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PubMed
1.55E+3n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse

Curated by PDSP Ki Database




J Pharmacol Exp Ther 307: 138-45 (2003)


Article DOI: 10.1124/jpet.103.053975
BindingDB Entry DOI: 10.7270/Q28W3BVJ
More data for this
Ligand-Target Pair
trace amine-associated receptor 1


(Homo sapiens)
BDBM55436
PNG
(2-(phenylmethyl)-4,5-dihydro-1H-imidazole;hydrochl...)
Show SMILES C(C1=NCCN1)c1ccccc1
Show InChI InChI=1S/C10H12N2/c1-2-4-9(5-3-1)8-10-11-6-7-12-10/h1-5H,6-8H2,(H,11,12)
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PubMed
1.64E+3n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Displacement of (S)-4-(2,4-difluorophenyl-3-tritio) -4,5-dihydro-2-oxazolamine from human TAAR1 receptor expressed in HEK293 cells after 90 mins by b...


Bioorg Med Chem Lett 22: 5244-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.060
BindingDB Entry DOI: 10.7270/Q2W0973B
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (human))
BDBM86285
PNG
(CAS_1576 | Methcathinone, (-) | NSC_1576)
Show SMILES CNC(C)C(=O)c1ccccc1
Show InChI InChI=1S/C10H13NO/c1-8(11-2)10(12)9-6-4-3-5-7-9/h3-8,11H,1-2H3
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PubMed
1.77E+3n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse

Curated by PDSP Ki Database




J Pharmacol Exp Ther 307: 138-45 (2003)


Article DOI: 10.1124/jpet.103.053975
BindingDB Entry DOI: 10.7270/Q28W3BVJ
More data for this
Ligand-Target Pair
Alpha-2B adrenergic receptor


(Homo sapiens (Human))
BDBM86284
PNG
(CAS_24221-86-1 | CAS_5032 | Ephedrine,(+) | Ephedr...)
Show SMILES CNC(C)C(O)c1ccccc1
Show InChI InChI=1S/C10H15NO/c1-8(11-2)10(12)9-6-4-3-5-7-9/h3-8,10-12H,1-2H3
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1.87E+3n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse

Curated by PDSP Ki Database




J Pharmacol Exp Ther 307: 138-45 (2003)


Article DOI: 10.1124/jpet.103.053975
BindingDB Entry DOI: 10.7270/Q28W3BVJ
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM55436
PNG
(2-(phenylmethyl)-4,5-dihydro-1H-imidazole;hydrochl...)
Show SMILES C(C1=NCCN1)c1ccccc1
Show InChI InChI=1S/C10H12N2/c1-2-4-9(5-3-1)8-10-11-6-7-12-10/h1-5H,6-8H2,(H,11,12)
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2.00E+3n/an/an/an/an/an/an/an/a



TBA

Curated by PDSP Ki Database




Eur J Pharmacol 55: 323-6 (1979)


BindingDB Entry DOI: 10.7270/Q2KD1WC3
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 7 (5-HT7)


(Homo sapiens (human))
BDBM86284
PNG
(CAS_24221-86-1 | CAS_5032 | Ephedrine,(+) | Ephedr...)
Show SMILES CNC(C)C(O)c1ccccc1
Show InChI InChI=1S/C10H15NO/c1-8(11-2)10(12)9-6-4-3-5-7-9/h3-8,10-12H,1-2H3
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2.00E+3n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse

Curated by PDSP Ki Database




J Pharmacol Exp Ther 307: 138-45 (2003)


Article DOI: 10.1124/jpet.103.053975
BindingDB Entry DOI: 10.7270/Q28W3BVJ
More data for this
Ligand-Target Pair
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