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Compile Data Set for Download or QSAR

Found 68 hits Enz. Inhib. hit(s) with all data for assayid = 1 entry = 50026568   
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
trace amine-associated receptor 1


(Homo sapiens (Human))
BDBM50262994
PNG
(CHEMBL476750 | N-Methyl-2-(3-bromophenyl)ethylamin...)
Show SMILES CNCCc1cccc(Br)c1
Show InChI InChI=1S/C9H12BrN/c1-11-6-5-8-3-2-4-9(10)7-8/h2-4,7,11H,5-6H2,1H3
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n/an/an/an/a 1.07E+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)


Article DOI: 10.1016/j.bmc.2008.06.009
BindingDB Entry DOI: 10.7270/Q2DR2V92
More data for this
Ligand-Target Pair
trace amine-associated receptor 1


(Homo sapiens (Human))
BDBM50262949
PNG
(CHEMBL506244 | N,N-Dimethyl-2-(2-bromophenyl)ethyl...)
Show SMILES CN(C)CCc1ccccc1Br
Show InChI InChI=1S/C10H14BrN/c1-12(2)8-7-9-5-3-4-6-10(9)11/h3-6H,7-8H2,1-2H3
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n/an/an/an/a 3.46E+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)


Article DOI: 10.1016/j.bmc.2008.06.009
BindingDB Entry DOI: 10.7270/Q2DR2V92
More data for this
Ligand-Target Pair
trace amine-associated receptor 1


(Homo sapiens (Human))
BDBM50262948
PNG
(CHEMBL478847 | N-Methyl-2-(2-bromophenyl)ethylamin...)
Show SMILES CNCCc1ccccc1Br
Show InChI InChI=1S/C9H12BrN/c1-11-7-6-8-4-2-3-5-9(8)10/h2-5,11H,6-7H2,1H3
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n/an/an/an/a 205n/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)


Article DOI: 10.1016/j.bmc.2008.06.009
BindingDB Entry DOI: 10.7270/Q2DR2V92
More data for this
Ligand-Target Pair
trace amine-associated receptor 1


(Homo sapiens (Human))
BDBM50262947
PNG
(CHEMBL478846 | N,N-Dimethyl-2-(4-chlorophenyl)ethy...)
Show SMILES CN(C)CCc1ccc(Cl)cc1
Show InChI InChI=1S/C10H14ClN/c1-12(2)8-7-9-3-5-10(11)6-4-9/h3-6H,7-8H2,1-2H3
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n/an/an/an/a 6.30E+5n/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)


Article DOI: 10.1016/j.bmc.2008.06.009
BindingDB Entry DOI: 10.7270/Q2DR2V92
More data for this
Ligand-Target Pair
trace amine-associated receptor 1


(Homo sapiens (Human))
BDBM50262946
PNG
(CHEMBL452929 | N-Methyl-2-(4-chlorophenyl)ethylami...)
Show SMILES CNCCc1ccc(Cl)cc1
Show InChI InChI=1S/C9H12ClN/c1-11-7-6-8-2-4-9(10)5-3-8/h2-5,11H,6-7H2,1H3
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n/an/an/an/a 7.43E+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)


Article DOI: 10.1016/j.bmc.2008.06.009
BindingDB Entry DOI: 10.7270/Q2DR2V92
More data for this
Ligand-Target Pair
trace amine-associated receptor 1


(Homo sapiens (Human))
BDBM50053591
PNG
(CHEMBL131145 | N,N-Dimethyl-2-(3-chlorophenyl)ethy...)
Show SMILES CN(C)CCc1cccc(Cl)c1
Show InChI InChI=1S/C10H14ClN/c1-12(2)7-6-9-4-3-5-10(11)8-9/h3-5,8H,6-7H2,1-2H3
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n/an/an/an/a 5.98E+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)


Article DOI: 10.1016/j.bmc.2008.06.009
BindingDB Entry DOI: 10.7270/Q2DR2V92
More data for this
Ligand-Target Pair
trace amine-associated receptor 1


(Homo sapiens (Human))
BDBM50053602
PNG
(CHEMBL130703 | N-Methyl-2-(3-chlorophenyl)ethylami...)
Show SMILES CNCCc1cccc(Cl)c1
Show InChI InChI=1S/C9H12ClN/c1-11-6-5-8-3-2-4-9(10)7-8/h2-4,7,11H,5-6H2,1H3
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n/an/an/an/a 501n/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)


Article DOI: 10.1016/j.bmc.2008.06.009
BindingDB Entry DOI: 10.7270/Q2DR2V92
More data for this
Ligand-Target Pair
trace amine-associated receptor 1


(Homo sapiens (Human))
BDBM50262945
PNG
(CHEMBL478845 | N,N-Dimethyl-2-(2-chlorophenyl)ethy...)
Show SMILES CN(C)CCc1ccccc1Cl
Show InChI InChI=1S/C10H14ClN/c1-12(2)8-7-9-5-3-4-6-10(9)11/h3-6H,7-8H2,1-2H3
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n/an/an/an/a 687n/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)


Article DOI: 10.1016/j.bmc.2008.06.009
BindingDB Entry DOI: 10.7270/Q2DR2V92
More data for this
Ligand-Target Pair
trace amine-associated receptor 1


(Homo sapiens (Human))
BDBM50262944
PNG
(CHEMBL453667 | N,N-Dimethyl-2-(4-fluorophenyl)ethy...)
Show SMILES CNCCc1ccccc1Cl
Show InChI InChI=1S/C9H12ClN/c1-11-7-6-8-4-2-3-5-9(8)10/h2-5,11H,6-7H2,1H3
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n/an/an/an/a 160n/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)


Article DOI: 10.1016/j.bmc.2008.06.009
BindingDB Entry DOI: 10.7270/Q2DR2V92
More data for this
Ligand-Target Pair
trace amine-associated receptor 1


(Homo sapiens (Human))
BDBM50262943
PNG
(2-(4-fluorophenyl)-N,N-dimethylethanamine | CHEMBL...)
Show SMILES CN(C)CCc1ccc(F)cc1
Show InChI InChI=1S/C10H14FN/c1-12(2)8-7-9-3-5-10(11)6-4-9/h3-6H,7-8H2,1-2H3
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n/an/an/an/a 1.91E+4n/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)


Article DOI: 10.1016/j.bmc.2008.06.009
BindingDB Entry DOI: 10.7270/Q2DR2V92
More data for this
Ligand-Target Pair
trace amine-associated receptor 1


(Homo sapiens (Human))
BDBM50262942
PNG
(CHEMBL476324 | N-Methyl-2-(4-fluorophenyl)ethylami...)
Show SMILES CNCCc1ccc(F)cc1
Show InChI InChI=1S/C9H12FN/c1-11-7-6-8-2-4-9(10)5-3-8/h2-5,11H,6-7H2,1H3
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n/an/an/an/a 1.04E+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)


Article DOI: 10.1016/j.bmc.2008.06.009
BindingDB Entry DOI: 10.7270/Q2DR2V92
More data for this
Ligand-Target Pair
trace amine-associated receptor 1


(Homo sapiens (Human))
BDBM50262941
PNG
(CHEMBL450561 | N,N-Dimethyl-2-(3-fluorophenyl)ethy...)
Show SMILES CN(C)CCc1cccc(F)c1
Show InChI InChI=1S/C10H14FN/c1-12(2)7-6-9-4-3-5-10(11)8-9/h3-5,8H,6-7H2,1-2H3
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n/an/an/an/a 4.32E+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)


Article DOI: 10.1016/j.bmc.2008.06.009
BindingDB Entry DOI: 10.7270/Q2DR2V92
More data for this
Ligand-Target Pair
trace amine-associated receptor 1


(Homo sapiens (Human))
BDBM50262940
PNG
(CHEMBL446131 | N-Methyl-2-(3-fluorophenyl)ethylami...)
Show SMILES CNCCc1cccc(F)c1
Show InChI InChI=1S/C9H12FN/c1-11-6-5-8-3-2-4-9(10)7-8/h2-4,7,11H,5-6H2,1H3
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n/an/an/an/a 530n/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)


Article DOI: 10.1016/j.bmc.2008.06.009
BindingDB Entry DOI: 10.7270/Q2DR2V92
More data for this
Ligand-Target Pair
trace amine-associated receptor 1


(Homo sapiens (Human))
BDBM50262891
PNG
(CHEMBL449727 | N,N-dimethyl-2-(2-fluorophenyl)ethy...)
Show SMILES CN(C)CCc1ccccc1F
Show InChI InChI=1S/C10H14FN/c1-12(2)8-7-9-5-3-4-6-10(9)11/h3-6H,7-8H2,1-2H3
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n/an/an/an/a 1.29E+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)


Article DOI: 10.1016/j.bmc.2008.06.009
BindingDB Entry DOI: 10.7270/Q2DR2V92
More data for this
Ligand-Target Pair
trace amine-associated receptor 1


(Homo sapiens (Human))
BDBM50262890
PNG
(CHEMBL443141 | N-Methyl-2-(2-fluorophenyl)ethylami...)
Show SMILES CNCCc1ccccc1F
Show InChI InChI=1S/C9H12FN/c1-11-7-6-8-4-2-3-5-9(8)10/h2-5,11H,6-7H2,1H3
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n/an/an/an/a 117n/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)


Article DOI: 10.1016/j.bmc.2008.06.009
BindingDB Entry DOI: 10.7270/Q2DR2V92
More data for this
Ligand-Target Pair
trace amine-associated receptor 1


(Homo sapiens (Human))
BDBM50018453
PNG
(CHEMBL46278 | Dimethyl-phenethyl-amine | N,N-dimet...)
Show SMILES CN(C)CCc1ccccc1
Show InChI InChI=1S/C10H15N/c1-11(2)9-8-10-6-4-3-5-7-10/h3-7H,8-9H2,1-2H3
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n/an/an/an/a 1.00E+5n/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)


Article DOI: 10.1016/j.bmc.2008.06.009
BindingDB Entry DOI: 10.7270/Q2DR2V92
More data for this
Ligand-Target Pair
trace amine-associated receptor 1


(Homo sapiens (Human))
BDBM50240500
PNG
(CHEMBL45763 | Methyl-phenethyl-amine | N-methyl-2-...)
Show SMILES CNCCc1ccccc1
Show InChI InChI=1S/C9H13N/c1-10-8-7-9-5-3-2-4-6-9/h2-6,10H,7-8H2,1H3
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n/an/an/an/a 387n/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)


Article DOI: 10.1016/j.bmc.2008.06.009
BindingDB Entry DOI: 10.7270/Q2DR2V92
More data for this
Ligand-Target Pair
trace amine-associated receptor 1


(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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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)


Article DOI: 10.1016/j.bmc.2008.06.009
BindingDB Entry DOI: 10.7270/Q2DR2V92
More data for this
Ligand-Target Pair
trace amine-associated receptor 1


(Homo sapiens (Human))
BDBM50022721
PNG
((R)-amphetamine | AMPHETAMINE | CHEMBL19393)
Show SMILES C[C@@H](N)Cc1ccccc1
Show InChI InChI=1/C9H13N/c1-8(10)7-9-5-3-2-4-6-9/h2-6,8H,7,10H2,1H3/t8-/s2
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n/an/an/an/a 920n/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)


Article DOI: 10.1016/j.bmc.2008.06.009
BindingDB Entry DOI: 10.7270/Q2DR2V92
More data for this
Ligand-Target Pair
trace amine-associated receptor 1


(Homo sapiens (Human))
BDBM50022723
PNG
((+)-(S)-amphetamine | (+)-alpha-methylphenethylami...)
Show SMILES C[C@H](N)Cc1ccccc1
Show InChI InChI=1/C9H13N/c1-8(10)7-9-5-3-2-4-6-9/h2-6,8H,7,10H2,1H3/t8-/s2
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n/an/an/an/a 935n/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)


Article DOI: 10.1016/j.bmc.2008.06.009
BindingDB Entry DOI: 10.7270/Q2DR2V92
More data for this
Ligand-Target Pair
trace amine-associated receptor 1


(Homo sapiens (Human))
BDBM50236898
PNG
((1S,2R)-(+)-2-phenylcyclopropylamine | CHEMBL25799...)
Show SMILES N[C@H]1C[C@@H]1c1ccccc1
Show InChI InChI=1/C9H11N/c10-9-6-8(9)7-4-2-1-3-5-7/h1-5,8-9H,6,10H2/t8-,9+/s2
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n/an/an/an/a 1.51E+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)


Article DOI: 10.1016/j.bmc.2008.06.009
BindingDB Entry DOI: 10.7270/Q2DR2V92
More data for this
Ligand-Target Pair
trace amine-associated receptor 1


(Homo sapiens (Human))
BDBM35929
PNG
(2,2-Diphenyl-ethylamine | 2,2-diphenylethanamine |...)
Show SMILES NCC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C14H15N/c15-11-14(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10,14H,11,15H2
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n/an/an/an/a 3.40E+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)


Article DOI: 10.1016/j.bmc.2008.06.009
BindingDB Entry DOI: 10.7270/Q2DR2V92
More data for this
Ligand-Target Pair
trace amine-associated receptor 1


(Homo sapiens (Human))
BDBM50262889
PNG
(3-Methyl-2-phenylbutylamine | CHEMBL476107)
Show SMILES CC(C)C(CN)c1ccccc1
Show InChI InChI=1/C11H17N/c1-9(2)11(8-12)10-6-4-3-5-7-10/h3-7,9,11H,8,12H2,1-2H3
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n/an/an/an/a 9.95E+3n/an/an/an/a



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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)


Article DOI: 10.1016/j.bmc.2008.06.009
BindingDB Entry DOI: 10.7270/Q2DR2V92
More data for this
Ligand-Target Pair
trace amine-associated receptor 1


(Homo sapiens (Human))
BDBM50026628
PNG
(1-Phenylcyclopropanemethylamine | C-(1-Phenyl-cycl...)
Show SMILES NCC1(CC1)c1ccccc1
Show InChI InChI=1S/C10H13N/c11-8-10(6-7-10)9-4-2-1-3-5-9/h1-5H,6-8,11H2
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n/an/an/an/a 5.05E+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)


Article DOI: 10.1016/j.bmc.2008.06.009
BindingDB Entry DOI: 10.7270/Q2DR2V92
More data for this
Ligand-Target Pair
trace amine-associated receptor 1


(Homo sapiens (Human))
BDBM50262888
PNG
(2-Methyl-2-phenylpropylamine | CHEMBL505110)
Show SMILES CC(C)(CN)c1ccccc1
Show InChI InChI=1S/C10H15N/c1-10(2,8-11)9-6-4-3-5-7-9/h3-7H,8,11H2,1-2H3
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n/an/an/an/a 7.88E+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)


Article DOI: 10.1016/j.bmc.2008.06.009
BindingDB Entry DOI: 10.7270/Q2DR2V92
More data for this
Ligand-Target Pair
trace amine-associated receptor 1


(Homo sapiens (Human))
BDBM50262841
PNG
((R)-(+)-2-phenylpropylamine | CHEMBL508991)
Show SMILES C[C@@H](CN)c1ccccc1
Show InChI InChI=1/C9H13N/c1-8(7-10)9-5-3-2-4-6-9/h2-6,8H,7,10H2,1H3/t8-/s2
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n/an/an/an/a 361n/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)


Article DOI: 10.1016/j.bmc.2008.06.009
BindingDB Entry DOI: 10.7270/Q2DR2V92
More data for this
Ligand-Target Pair
trace amine-associated receptor 1


(Homo sapiens (Human))
BDBM50262840
PNG
((S)-(-)-2-phenylpropylamine | CHEMBL448232)
Show SMILES C[C@H](CN)c1ccccc1
Show InChI InChI=1/C9H13N/c1-8(7-10)9-5-3-2-4-6-9/h2-6,8H,7,10H2,1H3/t8-/s2
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n/an/an/an/a 129n/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)


Article DOI: 10.1016/j.bmc.2008.06.009
BindingDB Entry DOI: 10.7270/Q2DR2V92
More data for this
Ligand-Target Pair
trace amine-associated receptor 1


(Homo sapiens (Human))
BDBM50240696
PNG
(2-(benzo[d][1,3]dioxol-5-yl)ethanamine | 2-Benzo[1...)
Show SMILES NCCc1ccc2OCOc2c1
Show InChI InChI=1S/C9H11NO2/c10-4-3-7-1-2-8-9(5-7)12-6-11-8/h1-2,5H,3-4,6,10H2
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n/an/an/an/a 5.03E+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)


Article DOI: 10.1016/j.bmc.2008.06.009
BindingDB Entry DOI: 10.7270/Q2DR2V92
More data for this
Ligand-Target Pair
trace amine-associated receptor 1


(Homo sapiens (Human))
BDBM50240788
PNG
(2-(2,5-dimethoxy-4-ethylphenyl)ethylamine | 2-(4-E...)
Show SMILES CCc1cc(OC)c(CCN)cc1OC
Show InChI InChI=1S/C12H19NO2/c1-4-9-7-12(15-3)10(5-6-13)8-11(9)14-2/h7-8H,4-6,13H2,1-3H3
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n/an/an/an/a 6.41E+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)


Article DOI: 10.1016/j.bmc.2008.06.009
BindingDB Entry DOI: 10.7270/Q2DR2V92
More data for this
Ligand-Target Pair
trace amine-associated receptor 1


(Homo sapiens (Human))
BDBM50240787
PNG
(2-(2,5-Dimethoxy-4-methyl-phenyl)-ethylamine | 2-(...)
Show SMILES COc1cc(CCN)c(OC)cc1C
Show InChI InChI=1S/C11H17NO2/c1-8-6-11(14-3)9(4-5-12)7-10(8)13-2/h6-7H,4-5,12H2,1-3H3
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n/an/an/an/a 6.48E+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)


Article DOI: 10.1016/j.bmc.2008.06.009
BindingDB Entry DOI: 10.7270/Q2DR2V92
More data for this
Ligand-Target Pair
trace amine-associated receptor 1


(Homo sapiens (Human))
BDBM29135
PNG
(CHEMBL11608 | cid_5610 | p-Tyramine | tyramine)
Show SMILES NCCc1ccc(O)cc1
Show InChI InChI=1S/C8H11NO/c9-6-5-7-1-3-8(10)4-2-7/h1-4,10H,5-6,9H2
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n/an/an/an/a 731n/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)


Article DOI: 10.1016/j.bmc.2008.06.009
BindingDB Entry DOI: 10.7270/Q2DR2V92
More data for this
Ligand-Target Pair
trace amine-associated receptor 1


(Homo sapiens (Human))
BDBM50020502
PNG
(2-(3-Hydroxy-phenyl)-ethyl-ammonium | 2-(3-hydroxy...)
Show SMILES NCCc1cccc(O)c1
Show InChI InChI=1S/C8H11NO/c9-5-4-7-2-1-3-8(10)6-7/h1-3,6,10H,4-5,9H2
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n/an/an/an/a 1.74E+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)


Article DOI: 10.1016/j.bmc.2008.06.009
BindingDB Entry DOI: 10.7270/Q2DR2V92
More data for this
Ligand-Target Pair
trace amine-associated receptor 1


(Homo sapiens (Human))
BDBM50240920
PNG
(2-(2-Amino-ethyl)-phenol | 2-(2-Hydroxyphenyl)ethy...)
Show SMILES NCCc1ccccc1O
Show InChI InChI=1S/C8H11NO/c9-6-5-7-3-1-2-4-8(7)10/h1-4,10H,5-6,9H2
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n/an/an/an/a 614n/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)


Article DOI: 10.1016/j.bmc.2008.06.009
BindingDB Entry DOI: 10.7270/Q2DR2V92
More data for this
Ligand-Target Pair
trace amine-associated receptor 1


(Homo sapiens (Human))
BDBM50240697
PNG
(2-(4-METHOXYPHENYL)ETHANAMINE | 2-(4-Methoxy-pheny...)
Show SMILES COc1ccc(CCN)cc1
Show InChI InChI=1S/C9H13NO/c1-11-9-4-2-8(3-5-9)6-7-10/h2-5H,6-7,10H2,1H3
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n/an/an/an/a 5.98E+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)


Article DOI: 10.1016/j.bmc.2008.06.009
BindingDB Entry DOI: 10.7270/Q2DR2V92
More data for this
Ligand-Target Pair
trace amine-associated receptor 1


(Homo sapiens (Human))
BDBM50104825
PNG
(2-(2-Methoxy-phenyl)-ethylamine | 2-(2-methoxyphen...)
Show SMILES COc1ccccc1CCN
Show InChI InChI=1S/C9H13NO/c1-11-9-5-3-2-4-8(9)6-7-10/h2-5H,6-7,10H2,1H3
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n/an/an/an/a 144n/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)


Article DOI: 10.1016/j.bmc.2008.06.009
BindingDB Entry DOI: 10.7270/Q2DR2V92
More data for this
Ligand-Target Pair
trace amine-associated receptor 1


(Homo sapiens (Human))
BDBM50262760
PNG
(2-(4-t-Buphenyl)ethylamine | CHEMBL474882)
Show SMILES CC(C)(C)c1ccc(CCN)cc1
Show InChI InChI=1S/C12H19N/c1-12(2,3)11-6-4-10(5-7-11)8-9-13/h4-7H,8-9,13H2,1-3H3
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n/an/an/an/a 5.11E+6n/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)


Article DOI: 10.1016/j.bmc.2008.06.009
BindingDB Entry DOI: 10.7270/Q2DR2V92
More data for this
Ligand-Target Pair
trace amine-associated receptor 1


(Homo sapiens (Human))
BDBM50262759
PNG
(2-(4-ethylphenyl)ethylamine | CHEMBL453206)
Show SMILES CCc1ccc(CCN)cc1
Show InChI InChI=1S/C10H15N/c1-2-9-3-5-10(6-4-9)7-8-11/h3-6H,2,7-8,11H2,1H3
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n/an/an/an/a 9.10E+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)


Article DOI: 10.1016/j.bmc.2008.06.009
BindingDB Entry DOI: 10.7270/Q2DR2V92
More data for this
Ligand-Target Pair
trace amine-associated receptor 1


(Homo sapiens (Human))
BDBM50159267
PNG
(2-(4-methylphenyl)ethylamine | 2-p-Tolyl-ethylamin...)
Show SMILES Cc1ccc(CCN)cc1
Show InChI InChI=1S/C9H13N/c1-8-2-4-9(5-3-8)6-7-10/h2-5H,6-7,10H2,1H3
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n/an/an/an/a 4.38E+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)


Article DOI: 10.1016/j.bmc.2008.06.009
BindingDB Entry DOI: 10.7270/Q2DR2V92
More data for this
Ligand-Target Pair
trace amine-associated receptor 1


(Homo sapiens (Human))
BDBM50005267
PNG
(2,5-dimethoxy-4-bromophenethylamine | 2-(4-Bromo-2...)
Show SMILES COc1cc(CCN)c(OC)cc1Br
Show InChI InChI=1S/C10H14BrNO2/c1-13-9-6-8(11)10(14-2)5-7(9)3-4-12/h5-6H,3-4,12H2,1-2H3
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n/an/an/an/a 7.19E+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)


Article DOI: 10.1016/j.bmc.2008.06.009
BindingDB Entry DOI: 10.7270/Q2DR2V92
More data for this
Ligand-Target Pair
trace amine-associated receptor 1


(Homo sapiens (Human))
BDBM50240789
PNG
(2-(4-Chloro-2,5-dimethoxy-phenyl)-ethylamine | 2-(...)
Show SMILES COc1cc(CCN)c(OC)cc1Cl
Show InChI InChI=1S/C10H14ClNO2/c1-13-9-6-8(11)10(14-2)5-7(9)3-4-12/h5-6H,3-4,12H2,1-2H3
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n/an/an/an/a 3.75E+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)


Article DOI: 10.1016/j.bmc.2008.06.009
BindingDB Entry DOI: 10.7270/Q2DR2V92
More data for this
Ligand-Target Pair
trace amine-associated receptor 1


(Homo sapiens (Human))
BDBM50026778
PNG
(2-(2,5-Dimethoxy-phenyl)-ethylamine | 2-(2,5-dimet...)
Show SMILES COc1ccc(OC)c(CCN)c1
Show InChI InChI=1S/C10H15NO2/c1-12-9-3-4-10(13-2)8(7-9)5-6-11/h3-4,7H,5-6,11H2,1-2H3
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n/an/an/an/a 2.01E+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)


Article DOI: 10.1016/j.bmc.2008.06.009
BindingDB Entry DOI: 10.7270/Q2DR2V92
More data for this
Ligand-Target Pair
trace amine-associated receptor 1


(Homo sapiens (Human))
BDBM50262839
PNG
(2-(2,5-dimethylphenyl)ethylamine | CHEMBL509695)
Show SMILES Cc1ccc(C)c(CCN)c1
Show InChI InChI=1S/C10H15N/c1-8-3-4-9(2)10(7-8)5-6-11/h3-4,7H,5-6,11H2,1-2H3
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n/an/an/an/a 377n/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)


Article DOI: 10.1016/j.bmc.2008.06.009
BindingDB Entry DOI: 10.7270/Q2DR2V92
More data for this
Ligand-Target Pair
trace amine-associated receptor 1


(Homo sapiens (Human))
BDBM50029105
PNG
(2-(3,4,-dichlorophenyl)ethylamine | 2-(3,4-Dichlor...)
Show SMILES NCCc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C8H9Cl2N/c9-7-2-1-6(3-4-11)5-8(7)10/h1-2,5H,3-4,11H2
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n/an/an/an/a 3.43E+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)


Article DOI: 10.1016/j.bmc.2008.06.009
BindingDB Entry DOI: 10.7270/Q2DR2V92
More data for this
Ligand-Target Pair
trace amine-associated receptor 1


(Homo sapiens (Human))
BDBM50262803
PNG
(2-(2,3,-dichlorophenyl)ethylamine | CHEMBL442603)
Show SMILES NCCc1cccc(Cl)c1Cl
Show InChI InChI=1S/C8H9Cl2N/c9-7-3-1-2-6(4-5-11)8(7)10/h1-3H,4-5,11H2
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n/an/an/an/a 1.16E+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)


Article DOI: 10.1016/j.bmc.2008.06.009
BindingDB Entry DOI: 10.7270/Q2DR2V92
More data for this
Ligand-Target Pair
trace amine-associated receptor 1


(Homo sapiens (Human))
BDBM50262802
PNG
(2-(2,6-Difluoro-4-hydroxyphenyl)ethylamine | CHEMB...)
Show SMILES NCCc1c(F)cc(O)cc1F
Show InChI InChI=1S/C8H9F2NO/c9-7-3-5(12)4-8(10)6(7)1-2-11/h3-4,12H,1-2,11H2
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n/an/an/an/a 767n/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)


Article DOI: 10.1016/j.bmc.2008.06.009
BindingDB Entry DOI: 10.7270/Q2DR2V92
More data for this
Ligand-Target Pair
trace amine-associated receptor 1


(Homo sapiens (Human))
BDBM50262801
PNG
(2-(2,6-difluoro-4-methoxyphenyl)ethylamine | CHEMB...)
Show SMILES COc1cc(F)c(CCN)c(F)c1
Show InChI InChI=1S/C9H11F2NO/c1-13-6-4-8(10)7(2-3-12)9(11)5-6/h4-5H,2-3,12H2,1H3
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n/an/an/an/a 1.40E+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)


Article DOI: 10.1016/j.bmc.2008.06.009
BindingDB Entry DOI: 10.7270/Q2DR2V92
More data for this
Ligand-Target Pair
trace amine-associated receptor 1


(Homo sapiens (Human))
BDBM50262800
PNG
(2-(2-chloro-6-fluorophenyl)ethylamine | CHEMBL4529...)
Show SMILES NCCc1c(F)cccc1Cl
Show InChI InChI=1S/C8H9ClFN/c9-7-2-1-3-8(10)6(7)4-5-11/h1-3H,4-5,11H2
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n/an/an/an/a 312n/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)


Article DOI: 10.1016/j.bmc.2008.06.009
BindingDB Entry DOI: 10.7270/Q2DR2V92
More data for this
Ligand-Target Pair
trace amine-associated receptor 1


(Homo sapiens (Human))
BDBM50262799
PNG
(2-(2,6-dichlorophenyl)ethylamine | CHEMBL510649)
Show SMILES NCCc1c(Cl)cccc1Cl
Show InChI InChI=1S/C8H9Cl2N/c9-7-2-1-3-8(10)6(7)4-5-11/h1-3H,4-5,11H2
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n/an/an/an/a 51n/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)


Article DOI: 10.1016/j.bmc.2008.06.009
BindingDB Entry DOI: 10.7270/Q2DR2V92
More data for this
Ligand-Target Pair
trace amine-associated receptor 1


(Homo sapiens (Human))
BDBM50262798
PNG
(2-(4-nitrophenyl)ethylamine | CHEMBL502343)
Show SMILES NCCc1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C8H10N2O2/c9-6-5-7-1-3-8(4-2-7)10(11)12/h1-4H,5-6,9H2
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n/an/an/an/a 1.67E+5n/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)


Article DOI: 10.1016/j.bmc.2008.06.009
BindingDB Entry DOI: 10.7270/Q2DR2V92
More data for this
Ligand-Target Pair
trace amine-associated receptor 1


(Homo sapiens (Human))
BDBM50262797
PNG
(2-(4-trifluoromethyphenyl)ethylamine | CHEMBL47840...)
Show SMILES NCCc1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C9H10F3N/c10-9(11,12)8-3-1-7(2-4-8)5-6-13/h1-4H,5-6,13H2
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n/an/an/an/a 1.16E+4n/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)


Article DOI: 10.1016/j.bmc.2008.06.009
BindingDB Entry DOI: 10.7270/Q2DR2V92
More data for this
Ligand-Target Pair
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